#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 5.30 -0.12 -1.44 1.01 -1.26 0.27 121.20 124.97 2kaw s ILE 2 Ca 0.00 0.08 -0.01 0.00 0.00 0.00 0.00 60.65 60.72 2kaw s ILE 2 Cb 0.00 -3.57 -0.02 0.00 0.01 0.00 0.00 42.46 38.88 2kaw s ILE 2 CO 0.00 0.19 -0.09 -0.63 0.00 0.00 0.00 174.94 174.42 2kaw s ILE 3 N 1.75 3.49 -0.38 2.92 1.01 -0.00 -4.92 121.20 125.07 2kaw s ILE 3 Ca 0.07 -0.52 -0.14 0.00 0.00 0.00 0.00 60.65 60.06 2kaw s ILE 3 Cb -0.16 -2.48 0.01 0.00 0.01 0.00 0.00 42.46 39.84 2kaw s ILE 3 CO 0.11 0.53 0.27 -0.89 0.00 0.00 0.00 174.94 174.96 2kaw s THR 4 N 0.03 5.16 0.06 2.92 2.01 -1.26 -1.00 115.64 123.57 2kaw s THR 4 Ca -0.02 -0.54 0.07 0.00 0.31 0.00 0.00 61.69 61.51 2kaw s THR 4 Cb -0.14 -3.80 -0.03 0.00 0.01 0.00 0.00 72.50 68.54 2kaw s THR 4 CO 0.03 -0.20 -0.17 0.68 -0.69 0.00 0.00 174.62 174.28 2kaw s VAL 5 N 1.68 2.88 -0.06 3.82 -7.23 -0.13 -4.97 120.40 116.38 2kaw s VAL 5 Ca 0.05 -1.26 0.06 0.00 -1.81 0.00 0.00 61.98 59.02 2kaw s VAL 5 Cb -0.18 -2.26 -0.01 0.00 0.56 0.00 0.00 36.38 34.49 2kaw s VAL 5 CO 0.10 0.26 -0.24 0.28 -0.31 0.00 0.00 175.10 175.18 2kaw s THR 6 N -1.01 2.11 0.23 5.32 -1.32 -1.26 -1.00 115.64 118.71 2kaw s THR 6 Ca 0.16 -1.04 0.11 0.00 -1.21 0.00 0.00 61.69 59.71 2kaw s THR 6 Cb -0.11 -1.77 -0.05 0.00 -1.51 0.00 0.00 72.50 69.07 2kaw s THR 6 CO 0.07 0.57 -0.18 -0.76 -2.21 0.00 0.00 174.62 172.11 2kaw s LEU 7 N -0.13 2.66 -0.26 9.08 1.43 -0.12 -5.01 118.68 126.33 2kaw s LEU 7 Ca -0.05 -0.85 -0.17 0.00 -1.03 0.00 0.00 54.13 52.04 2kaw s LEU 7 Cb -0.14 -1.29 -0.03 0.00 0.03 0.00 0.00 46.19 44.76 2kaw s LEU 7 CO 0.04 0.08 0.48 0.21 0.23 0.00 0.00 176.35 177.39 2kaw s ASN 8 N -3.08 6.39 -0.01 2.29 3.84 -1.26 -3.71 114.94 119.40 2kaw s ASN 8 Ca 0.26 0.47 0.21 0.00 0.21 0.00 0.00 52.86 54.01 2kaw s ASN 8 Cb -0.07 -2.26 0.64 0.00 -0.55 0.00 0.00 41.25 39.00 2kaw s ASN 8 CO 0.13 -0.26 1.53 0.23 -2.79 0.00 0.00 177.10 175.95 2kaw n MET 9 N 5.47 2.85 -0.06 0.43 2.81 -1.26 -3.44 117.12 123.92 2kaw n MET 9 Ca -0.05 -2.66 -0.05 0.00 -1.81 0.00 0.00 57.70 53.13 2kaw n MET 9 Cb 0.50 -1.59 -0.03 0.00 -0.71 0.00 0.00 33.22 31.39 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 4.13 0.00 0.06 0.03 4.39 -1.92 -3.39 114.58 117.89 2kaw h GLU 10 Ca 0.00 0.00 -0.24 0.00 0.34 0.00 0.00 59.36 59.46 2kaw h GLU 10 Cb 1.03 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.66 2kaw h GLU 10 CO 0.03 0.22 -1.12 -0.09 -1.16 0.00 0.00 179.01 176.89 2kaw h ARG 11 N -1.00 0.13 -6.09 2.33 2.43 -2.02 -3.44 114.38 106.72 2kaw h ARG 11 Ca -0.02 -0.23 -0.60 0.00 -0.81 0.00 0.00 59.98 58.32 2kaw h ARG 11 Cb 0.36 0.08 -0.05 0.00 -0.42 0.00 0.00 29.97 29.95 2kaw h ARG 11 CO -0.01 1.11 -0.19 -1.01 -1.51 0.00 0.00 179.97 178.35 2kaw s HIS 12 N -2.68 3.68 -0.50 2.20 3.76 -1.22 -4.98 115.29 115.54 2kaw s HIS 12 Ca -0.01 0.96 0.14 0.00 -0.15 0.00 0.00 55.06 55.99 2kaw s HIS 12 Cb 0.09 -2.27 -0.17 0.00 1.11 0.00 0.00 32.58 31.33 2kaw s HIS 12 CO 0.85 0.58 0.52 0.72 -0.85 0.00 0.00 174.74 176.56 2kaw n HIS 13 N 1.43 0.00 -3.78 1.40 8.25 -1.26 -4.45 115.22 116.80 2kaw n HIS 13 Ca -0.11 0.00 -0.09 0.00 -0.26 0.00 0.00 57.72 57.26 2kaw n HIS 13 Cb 0.52 -0.08 -0.06 0.00 1.12 0.00 0.00 29.99 31.49 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 -2.47 0.03 0.03 4.41 -0.71 -1.26 -5.06 117.98 112.94 2kaw s PHE 14 Ca 0.03 -0.41 -0.14 0.00 -1.04 0.00 0.00 56.93 55.37 2kaw s PHE 14 Cb 0.10 0.04 -0.34 0.00 -1.21 0.00 0.00 43.02 41.61 2kaw s PHE 14 CO 0.58 -0.59 0.99 -0.07 -1.34 0.00 0.00 175.22 174.79 2kaw h LEU 15 N 2.68 0.77 -1.78 -1.99 3.38 -1.94 0.27 115.31 116.70 2kaw h LEU 15 Ca -0.34 -0.85 -0.04 0.00 0.09 0.00 0.00 57.88 56.74 2kaw h LEU 15 Cb 1.22 -0.25 0.02 0.00 0.09 0.00 0.00 40.66 41.73 2kaw h LEU 15 CO 0.53 1.67 -0.08 0.61 0.09 0.00 0.00 178.44 181.26 2kaw n GLY 16 N 1.71 0.44 2.87 0.83 0.00 -1.26 -0.85 105.19 108.93 2kaw n GLY 16 Ca -0.17 -0.45 -0.11 0.00 0.00 0.00 0.00 46.02 45.29 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 -3.04 -0.56 -0.04 -0.61 -4.36 -1.26 0.04 121.20 111.37 2kaw s ILE 17 Ca 0.01 -0.27 -0.30 0.00 -0.26 0.00 0.00 60.65 59.83 2kaw s ILE 17 Cb -0.00 -0.93 -0.05 0.00 1.25 0.00 0.00 42.46 42.73 2kaw s ILE 17 CO 0.08 -0.28 1.41 -0.94 0.24 0.00 0.00 174.94 175.45 2kaw s SER 18 N 2.50 6.85 -0.07 4.36 1.04 -0.66 -4.86 113.70 122.85 2kaw s SER 18 Ca 0.10 2.04 -0.27 0.00 0.48 0.00 0.00 55.95 58.30 2kaw s SER 18 Cb -0.14 -2.55 -0.02 0.00 0.10 0.00 0.00 66.02 63.41 2kaw s SER 18 CO -0.26 -0.75 0.89 -0.63 0.98 0.00 0.00 173.24 173.47 2kaw s ILE 19 N 2.86 4.89 -0.21 -1.02 -1.09 -1.26 0.51 121.20 125.88 2kaw s ILE 19 Ca 0.63 1.83 -0.01 0.00 -2.23 0.00 0.00 60.65 60.88 2kaw s ILE 19 Cb -0.30 -4.22 0.02 0.00 -1.58 0.00 0.00 42.46 36.38 2kaw s ILE 19 CO 0.25 0.12 -0.13 -0.69 -1.23 0.00 0.00 174.94 173.26 2kaw s VAL 20 N 1.42 2.58 -0.22 2.92 1.01 0.48 -4.88 120.40 123.72 2kaw s VAL 20 Ca 0.45 -0.87 -0.24 0.00 0.00 0.00 0.00 61.98 61.32 2kaw s VAL 20 Cb -0.19 -2.18 -0.01 0.00 0.00 0.00 0.00 36.38 34.00 2kaw s VAL 20 CO 0.20 0.42 0.81 -0.83 0.00 0.00 0.00 175.10 175.70 2kaw s GLY 21 N 1.34 1.88 -0.09 4.51 0.00 -1.26 -0.09 107.32 113.61 2kaw s GLY 21 Ca 0.04 -0.10 -0.27 0.00 0.00 0.00 0.00 44.72 44.39 2kaw s GLY 21 CO -0.08 1.72 0.86 1.62 0.00 0.00 0.00 173.10 177.22 2kaw s GLN 22 N 2.56 4.42 0.11 2.90 0.74 0.55 -4.98 119.66 125.96 2kaw s GLN 22 Ca 0.35 1.14 -0.00 0.00 0.05 0.00 0.00 55.36 56.90 2kaw s GLN 22 Cb -0.16 -3.51 -0.04 0.00 1.10 0.00 0.00 33.01 30.40 2kaw s GLN 22 CO 0.09 -0.16 0.01 -1.12 -0.55 0.00 0.00 175.29 173.56 2kaw s SER 23 N 1.02 0.65 0.00 6.67 0.01 -1.26 -3.03 113.70 117.75 2kaw s SER 23 Ca 0.43 -1.12 0.00 0.00 1.31 0.00 0.00 55.95 56.57 2kaw s SER 23 Cb -0.18 0.21 0.00 0.00 0.21 0.00 0.00 66.02 66.26 2kaw s SER 23 CO 0.19 -0.63 0.00 -3.20 0.41 0.00 0.00 173.24 170.00 2kaw n ASN 24 N -0.07 0.00 0.00 2.44 5.15 -1.26 -5.02 115.26 116.50 2kaw n ASN 24 Ca -0.09 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 53.89 2kaw n ASN 24 Cb 0.63 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.88 2kaw n ASN 24 CO 0.00 0.00 0.00 -0.67 1.40 0.00 0.00 177.26 177.99 2kaw n ASP 25 N 0.00 3.81 -0.03 1.20 2.03 -1.26 -4.85 116.55 117.45 2kaw n ASP 25 Ca 0.00 0.00 -0.05 0.00 0.52 0.00 0.00 54.79 55.26 2kaw n ASP 25 Cb 0.00 0.15 -0.05 0.00 -0.72 0.00 0.00 41.12 40.51 2kaw n ASP 25 CO 0.00 0.00 0.00 0.03 -1.92 0.00 0.00 177.20 175.31 2kaw h ARG 26 N 0.00 -0.04 0.00 -0.67 2.47 -2.01 -3.49 114.38 110.64 2kaw h ARG 26 Ca 0.00 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.72 2kaw h ARG 26 Cb 0.88 0.01 0.00 0.00 -1.65 0.00 0.00 29.97 29.21 2kaw h ARG 26 CO 0.00 0.30 0.00 0.41 0.56 0.00 0.00 179.97 181.24 2kaw n GLY 27 N 1.56 2.99 3.24 0.04 0.00 -1.26 -5.03 105.19 106.73 2kaw n GLY 27 Ca -0.04 -0.79 -0.42 0.00 0.00 0.00 0.00 46.02 44.76 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 4.39 -0.11 1.61 5.75 -1.26 -4.56 116.55 122.37 2kaw n ASP 28 Ca 0.00 -2.87 -0.21 0.00 -0.01 0.00 0.00 54.79 51.70 2kaw n ASP 28 Cb 0.00 -1.70 -0.12 0.00 -1.03 0.00 0.00 41.12 38.27 2kaw n ASP 28 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2kaw n GLY 29 N 4.89 -0.42 0.00 6.12 0.00 -1.17 -5.05 105.19 109.56 2kaw n GLY 29 Ca 0.50 -0.17 0.00 0.00 0.00 0.00 0.00 46.02 46.35 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 2.02 2.26 3.70 -0.02 0.00 -1.22 -4.76 105.19 107.17 2kaw n GLY 30 Ca -0.45 -1.96 -0.36 0.00 0.00 0.00 0.00 46.02 43.25 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 -2.68 5.38 0.28 -0.61 -4.36 -1.26 -0.33 121.20 117.62 2kaw s ILE 31 Ca 0.00 0.21 0.11 0.00 -0.26 0.00 0.00 60.65 60.71 2kaw s ILE 31 Cb 0.00 -3.49 -0.05 0.00 1.25 0.00 0.00 42.46 40.17 2kaw s ILE 31 CO 0.00 0.40 -0.12 -0.31 0.24 0.00 0.00 174.94 175.15 2kaw s TYR 32 N 0.66 2.45 -0.21 1.37 1.51 0.87 -0.76 117.35 123.24 2kaw s TYR 32 Ca 0.08 -0.29 -0.29 0.00 -1.01 0.00 0.00 57.07 55.56 2kaw s TYR 32 Cb -0.12 -1.09 0.01 0.00 -0.11 0.00 0.00 41.96 40.65 2kaw s TYR 32 CO 0.01 0.67 1.03 0.42 -1.11 0.00 0.00 175.55 176.57 2kaw s ILE 33 N -2.44 4.70 0.00 2.71 -1.09 1.00 -0.39 121.20 125.69 2kaw s ILE 33 Ca 0.31 2.02 0.00 0.00 -2.23 0.00 0.00 60.65 60.75 2kaw s ILE 33 Cb -0.05 -4.31 0.00 0.00 -1.58 0.00 0.00 42.46 36.52 2kaw s ILE 33 CO 0.17 -0.15 0.00 0.61 -1.23 0.00 0.00 174.94 174.34 2kaw n GLY 34 N 3.29 1.60 3.11 6.18 0.00 0.18 -0.59 105.19 118.97 2kaw n GLY 34 Ca 0.11 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.93 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 1.57 -0.13 1.61 0.01 -1.25 -4.53 113.70 109.98 2kaw s SER 35 Ca 0.00 -0.35 -0.15 0.00 1.31 0.00 0.00 55.95 56.76 2kaw s SER 35 Cb 0.00 -0.13 -0.05 0.00 0.21 0.00 0.00 66.02 66.05 2kaw s SER 35 CO 0.00 0.09 0.37 -0.63 0.41 0.00 0.00 173.24 173.48 2kaw s ILE 36 N -0.59 5.24 -0.22 1.44 1.01 -1.26 -1.65 121.20 125.17 2kaw s ILE 36 Ca 0.03 0.72 -0.13 0.00 0.00 0.00 0.00 60.65 61.27 2kaw s ILE 36 Cb -0.06 -3.70 -0.05 0.00 0.01 0.00 0.00 42.46 38.66 2kaw s ILE 36 CO 0.00 0.38 0.26 -0.04 0.00 0.00 0.00 174.94 175.55 2kaw s MET 37 N 0.38 4.12 -0.01 2.79 -1.94 0.11 -4.96 119.30 119.78 2kaw s MET 37 Ca 0.21 -0.07 -0.30 0.00 -1.71 0.00 0.00 55.69 53.82 2kaw s MET 37 Cb -0.14 -3.54 -0.07 0.00 2.01 0.00 0.00 34.83 33.09 2kaw s MET 37 CO 0.07 0.02 1.73 0.21 -0.01 0.00 0.00 175.02 177.05 2kaw s LYS 38 N 1.16 4.17 0.00 2.03 2.47 -1.26 -1.98 119.74 126.33 2kaw s LYS 38 Ca 0.12 2.32 0.00 0.00 -1.56 0.00 0.00 55.97 56.86 2kaw s LYS 38 Cb -0.14 -3.97 0.00 0.00 -1.46 0.00 0.00 37.83 32.26 2kaw s LYS 38 CO 0.06 -0.86 0.00 0.41 0.16 0.00 0.00 175.35 175.12 2kaw n GLY 39 N 4.21 1.45 3.91 5.54 0.00 -1.26 -5.10 105.19 113.94 2kaw n GLY 39 Ca 0.18 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.92 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 -2.01 1.64 0.35 -0.02 0.00 -0.84 -4.83 107.32 101.61 2kaw s GLY 40 Ca 0.00 -0.75 0.04 0.00 0.00 0.00 0.00 44.72 44.01 2kaw s GLY 40 CO 0.00 -0.34 1.94 0.00 0.00 0.00 0.00 173.10 174.70 2kaw h ALA 41 N -0.68 1.48 -0.04 3.20 0.00 0.36 -2.26 119.26 121.31 2kaw h ALA 41 Ca -0.45 -0.13 -0.15 0.00 0.00 0.00 0.00 54.91 54.18 2kaw h ALA 41 Cb 1.31 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.90 2kaw h ALA 41 CO 0.62 0.40 -0.65 0.28 0.00 0.00 0.00 179.25 179.91 2kaw h VAL 42 N 0.61 1.42 0.00 0.00 2.07 -1.25 -2.81 116.25 116.29 2kaw h VAL 42 Ca 0.15 -2.12 0.00 0.00 0.82 0.00 0.00 66.70 65.55 2kaw h VAL 42 Cb 0.14 2.11 0.00 0.00 -1.52 0.00 0.00 31.29 32.02 2kaw h VAL 42 CO -0.01 0.62 0.00 0.00 0.02 0.00 0.00 177.57 178.20 2kaw n ALA 43 N -2.45 1.58 0.96 1.67 0.00 -0.86 -1.07 120.51 120.33 2kaw n ALA 43 Ca -0.02 -0.04 0.11 0.00 0.00 0.00 0.00 53.44 53.48 2kaw n ALA 43 Cb 0.64 -1.19 0.02 0.00 0.00 0.00 0.00 19.45 18.92 2kaw n ALA 43 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2kaw n ALA 44 N -1.44 3.27 -0.03 0.00 0.00 -1.06 -4.64 120.51 116.61 2kaw n ALA 44 Ca 0.04 -0.64 0.00 0.00 0.00 0.00 0.00 53.44 52.83 2kaw n ALA 44 Cb 0.12 -0.76 0.00 0.00 0.00 0.00 0.00 19.45 18.81 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 0.26 0.00 0.00 0.00 -0.08 -0.24 -5.03 116.55 111.47 2kaw n ASP 45 Ca 0.10 0.10 0.00 0.00 -1.51 0.00 0.00 54.79 53.48 2kaw n ASP 45 Cb 0.48 -0.49 0.00 0.00 2.34 0.00 0.00 41.12 43.45 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 2.76 0.15 0.27 0.00 -1.18 -4.92 105.19 103.90 2kaw n GLY 46 Ca 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.95 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 1.29 0.20 -6.32 1.61 3.08 -1.96 -3.43 114.38 108.85 2kaw h ARG 47 Ca 0.00 -0.18 -0.54 0.00 0.07 0.00 0.00 59.98 59.33 2kaw h ARG 47 Cb 0.00 0.04 -0.03 0.00 0.08 0.00 0.00 29.97 30.06 2kaw h ARG 47 CO 0.00 0.85 0.27 0.42 -1.07 0.00 0.00 179.97 180.44 2kaw s ILE 48 N -3.47 4.85 0.14 2.04 1.01 -1.26 -5.05 121.20 119.45 2kaw s ILE 48 Ca -0.03 1.85 0.03 0.00 0.00 0.00 0.00 60.65 62.50 2kaw s ILE 48 Cb 0.11 -4.22 -0.04 0.00 0.01 0.00 0.00 42.46 38.31 2kaw s ILE 48 CO 0.81 0.23 -0.07 -1.83 0.00 0.00 0.00 174.94 174.08 2kaw s GLU 49 N 0.69 1.02 0.14 2.79 -1.05 -1.26 -5.01 118.70 116.02 2kaw s GLU 49 Ca 0.46 -1.44 -0.32 0.00 -0.15 0.00 0.00 54.97 53.52 2kaw s GLU 49 Cb -0.20 -0.45 -0.11 0.00 -0.44 0.00 0.00 34.13 32.93 2kaw s GLU 49 CO 0.25 0.01 1.80 -2.30 0.95 0.00 0.00 175.26 175.97 2kaw n PRO 50 N -0.17 2.74 0.00 -4.83 -0.02 -1.26 -2.07 135.00 129.39 2kaw n PRO 50 Ca -0.10 1.00 0.00 0.00 -2.02 0.00 0.00 63.50 62.38 2kaw n PRO 50 Cb 0.61 -2.87 0.00 0.00 -0.02 0.00 0.00 33.50 31.22 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 4.14 2.08 3.77 -1.23 0.00 0.24 -4.99 105.19 109.20 2kaw n GLY 51 Ca 0.18 0.00 -0.39 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 -1.78 6.20 -0.17 1.61 1.01 -0.88 -4.62 116.67 118.05 2kaw s ASP 52 Ca 0.00 2.54 -0.09 0.00 0.71 0.00 0.00 52.55 55.71 2kaw s ASP 52 Cb 0.00 -2.63 -0.05 0.00 1.01 0.00 0.00 42.92 41.26 2kaw s ASP 52 CO 0.00 -0.91 0.15 -0.32 0.21 0.00 0.00 175.17 174.30 2kaw s MET 53 N -2.42 3.95 -0.18 8.23 -2.45 -0.86 -0.00 119.30 125.57 2kaw s MET 53 Ca 0.60 -0.16 -0.20 0.00 -1.25 0.00 0.00 55.69 54.68 2kaw s MET 53 Cb -0.35 -3.34 -0.03 0.00 1.25 0.00 0.00 34.83 32.36 2kaw s MET 53 CO 0.44 0.46 0.60 -0.51 1.05 0.00 0.00 175.02 177.05 2kaw s LEU 54 N -0.10 4.17 -0.03 4.11 1.43 0.06 0.56 118.68 128.88 2kaw s LEU 54 Ca 0.11 0.83 -0.03 0.00 -1.03 0.00 0.00 54.13 54.00 2kaw s LEU 54 Cb -0.12 -2.85 -0.01 0.00 0.03 0.00 0.00 46.19 43.24 2kaw s LEU 54 CO 0.01 -0.22 -0.07 0.18 0.23 0.00 0.00 176.35 176.48 2kaw n LEU 55 N 4.77 0.41 -4.22 1.79 4.77 -0.76 -4.47 117.00 119.29 2kaw n LEU 55 Ca -0.03 0.07 -0.28 0.00 -0.03 0.00 0.00 56.01 55.74 2kaw n LEU 55 Cb 0.50 -0.49 -0.16 0.00 -2.33 0.00 0.00 43.42 40.95 2kaw n LEU 55 CO 0.44 -0.46 -0.53 -1.58 -1.33 0.00 0.00 177.39 173.92 2kaw s GLN 56 N -1.40 1.87 -0.29 3.23 0.74 -1.26 -0.16 119.66 122.39 2kaw s GLN 56 Ca -0.06 -0.75 -0.01 0.00 0.05 0.00 0.00 55.36 54.60 2kaw s GLN 56 Cb 0.01 -1.72 0.09 0.00 1.10 0.00 0.00 33.01 32.49 2kaw s GLN 56 CO 0.08 0.40 0.07 0.08 -0.55 0.00 0.00 175.29 175.37 2kaw s VAL 57 N -0.34 0.99 -0.70 1.34 1.01 -0.51 -1.24 120.40 120.95 2kaw s VAL 57 Ca 0.04 -1.31 -0.02 0.00 0.00 0.00 0.00 61.98 60.69 2kaw s VAL 57 Cb -0.10 -1.65 -0.02 0.00 0.00 0.00 0.00 36.38 34.61 2kaw s VAL 57 CO 0.00 -0.54 0.65 0.59 0.00 0.00 0.00 175.10 175.80 2kaw n ASN 58 N 4.82 -6.48 0.00 3.32 4.13 0.00 -3.70 115.26 117.36 2kaw n ASN 58 Ca -0.04 -0.25 0.00 0.00 1.68 0.00 0.00 54.58 55.98 2kaw n ASN 58 Cb 0.43 -4.52 0.00 0.00 -1.54 0.00 0.00 39.78 34.15 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 -2.10 0.00 -4.69 6.41 8.00 -1.26 -4.93 116.55 117.98 2kaw n ASP 59 Ca -0.02 0.00 -0.42 0.00 0.71 0.00 0.00 54.79 55.06 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 3.96 -0.09 2.53 -7.23 -1.24 -5.01 120.40 113.32 2kaw s VAL 60 Ca 0.00 1.34 -0.12 0.00 -1.81 0.00 0.00 61.98 61.39 2kaw s VAL 60 Cb 0.00 -3.86 -0.05 0.00 0.56 0.00 0.00 36.38 33.03 2kaw s VAL 60 CO 0.00 0.02 0.29 0.21 -0.31 0.00 0.00 175.10 175.30 2kaw s ASN 61 N 1.58 6.55 0.00 4.85 2.47 -1.26 -1.42 114.94 127.71 2kaw s ASN 61 Ca 0.60 0.65 0.10 0.00 0.42 0.00 0.00 52.86 54.63 2kaw s ASN 61 Cb -0.29 -2.17 0.15 0.00 -1.45 0.00 0.00 41.25 37.50 2kaw s ASN 61 CO 0.25 0.27 0.97 0.49 -3.72 0.00 0.00 177.10 175.36 2kaw n PHE 62 N 2.48 0.15 0.01 0.43 3.72 0.77 -4.59 117.46 120.43 2kaw n PHE 62 Ca -0.15 -0.18 0.08 0.00 -0.05 0.00 0.00 57.45 57.15 2kaw n PHE 62 Cb 0.53 -0.01 0.49 0.00 -0.94 0.00 0.00 39.48 39.55 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 1.98 0.40 -1.07 -1.08 5.08 -1.87 -2.32 114.58 115.70 2kaw h GLU 63 Ca 0.00 -0.02 -0.59 0.00 -1.00 0.00 0.00 59.36 57.74 2kaw h GLU 63 Cb 0.53 -0.09 -0.40 0.00 0.50 0.00 0.00 28.75 29.29 2kaw h GLU 63 CO 0.00 0.26 -0.43 0.09 -1.00 0.00 0.00 179.01 177.94 2kaw n ASN 64 N -4.48 5.45 -4.17 1.42 3.02 -1.26 -5.01 115.26 110.23 2kaw n ASN 64 Ca 0.05 -3.75 -0.10 0.00 -0.03 0.00 0.00 54.58 50.74 2kaw n ASN 64 Cb 0.19 -0.51 -0.10 0.00 -0.61 0.00 0.00 39.78 38.75 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 -3.65 0.88 0.55 3.52 -1.94 -0.88 -5.15 119.30 112.64 2kaw s MET 65 Ca 0.52 -1.39 -0.19 0.00 -1.71 0.00 0.00 55.69 52.93 2kaw s MET 65 Cb 0.42 -0.04 -0.05 0.00 2.01 0.00 0.00 34.83 37.18 2kaw s MET 65 CO -0.06 -0.12 1.14 -1.12 -0.01 0.00 0.00 175.02 174.85 2kaw s SER 66 N -3.05 5.64 0.15 3.03 0.01 -1.26 -4.85 113.70 113.37 2kaw s SER 66 Ca 0.17 2.19 -0.17 0.00 1.31 0.00 0.00 55.95 59.45 2kaw s SER 66 Cb 0.07 -2.58 0.03 0.00 0.21 0.00 0.00 66.02 63.74 2kaw s SER 66 CO -0.02 -1.27 1.78 0.78 0.41 0.00 0.00 173.24 174.91 2kaw h ASN 67 N 1.11 0.27 -0.02 2.44 2.35 -1.93 0.17 115.58 119.97 2kaw h ASN 67 Ca -0.50 0.01 -0.00 0.00 -0.55 0.00 0.00 56.30 55.27 2kaw h ASN 67 Cb 1.26 -0.04 -0.00 0.00 0.05 0.00 0.00 38.32 39.60 2kaw h ASN 67 CO 0.57 0.20 0.01 0.44 -1.65 0.00 0.00 177.43 176.99 2kaw h ASP 68 N 0.37 0.02 -0.99 5.81 3.32 -1.97 -2.24 116.42 120.75 2kaw h ASP 68 Ca 0.15 -0.11 0.03 0.00 0.02 0.00 0.00 57.03 57.11 2kaw h ASP 68 Cb 0.05 -0.01 -0.05 0.00 0.22 0.00 0.00 39.33 39.54 2kaw h ASP 68 CO -0.10 0.13 0.65 -0.78 -1.72 0.00 0.00 179.24 177.42 2kaw h ASP 69 N -0.08 1.09 -0.25 6.45 3.58 -1.88 -0.24 116.42 125.09 2kaw h ASP 69 Ca 0.01 -0.02 0.02 0.00 0.42 0.00 0.00 57.03 57.46 2kaw h ASP 69 Cb 0.11 -0.26 -0.02 0.00 1.72 0.00 0.00 39.33 40.88 2kaw h ASP 69 CO -0.00 0.77 0.10 0.00 -2.88 0.00 0.00 179.24 177.23 2kaw h ALA 70 N 1.39 0.29 -0.56 -0.78 0.00 -0.45 -0.87 119.26 118.28 2kaw h ALA 70 Ca 0.38 0.02 -0.06 0.00 0.00 0.00 0.00 54.91 55.25 2kaw h ALA 70 Cb -0.06 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.70 2kaw h ALA 70 CO -0.11 -0.31 0.09 0.28 0.00 0.00 0.00 179.25 179.21 2kaw h VAL 71 N 0.23 1.24 -0.20 0.00 2.07 -0.81 -1.34 116.25 117.44 2kaw h VAL 71 Ca 0.11 -0.93 0.01 0.00 0.82 0.00 0.00 66.70 66.71 2kaw h VAL 71 Cb 0.06 0.71 -0.02 0.00 -1.52 0.00 0.00 31.29 30.53 2kaw h VAL 71 CO -0.10 0.34 0.10 0.03 0.02 0.00 0.00 177.57 177.96 2kaw h ARG 72 N 0.85 0.20 -0.59 1.57 3.08 -0.38 0.14 114.38 119.25 2kaw h ARG 72 Ca 0.18 -0.01 -0.05 0.00 0.07 0.00 0.00 59.98 60.17 2kaw h ARG 72 Cb 0.38 -0.05 -0.02 0.00 0.08 0.00 0.00 29.97 30.36 2kaw h ARG 72 CO 0.01 0.13 0.18 0.28 -1.07 0.00 0.00 179.97 179.50 2kaw h VAL 73 N 0.21 1.24 -0.96 2.04 2.07 -1.00 -2.56 116.25 117.29 2kaw h VAL 73 Ca 0.08 -0.83 0.04 0.00 0.82 0.00 0.00 66.70 66.82 2kaw h VAL 73 Cb 0.02 0.66 -0.06 0.00 -1.52 0.00 0.00 31.29 30.40 2kaw h VAL 73 CO -0.06 0.31 0.62 0.25 0.02 0.00 0.00 177.57 178.71 2kaw h LEU 74 N 0.84 1.03 -0.85 2.57 5.85 -0.77 -1.81 115.31 122.17 2kaw h LEU 74 Ca 0.19 -0.01 0.05 0.00 0.84 0.00 0.00 57.88 58.95 2kaw h LEU 74 Cb 0.29 -0.23 -0.06 0.00 0.37 0.00 0.00 40.66 41.03 2kaw h LEU 74 CO -0.01 0.70 0.53 0.03 -0.34 0.00 0.00 178.44 179.36 2kaw h ARG 75 N 1.19 0.97 -0.48 1.25 3.08 -0.32 0.34 114.38 120.42 2kaw h ARG 75 Ca 0.39 -0.06 -0.06 0.00 0.07 0.00 0.00 59.98 60.32 2kaw h ARG 75 Cb 0.03 -0.22 -0.02 0.00 0.08 0.00 0.00 29.97 29.84 2kaw h ARG 75 CO -0.13 0.64 0.07 0.93 -1.07 0.00 0.00 179.97 180.41 2kaw h GLU 76 N 1.00 0.80 -0.26 0.04 4.39 -1.13 -0.59 114.58 118.84 2kaw h GLU 76 Ca 0.36 -0.22 -0.10 0.00 0.34 0.00 0.00 59.36 59.74 2kaw h GLU 76 Cb 0.10 -0.09 -0.01 0.00 -0.10 0.00 0.00 28.75 28.65 2kaw h GLU 76 CO -0.15 0.81 -0.21 0.82 -1.16 0.00 0.00 179.01 179.13 2kaw h ILE 77 N 0.67 1.31 -0.37 3.13 2.04 -0.84 -2.84 117.51 120.61 2kaw h ILE 77 Ca 0.14 -1.35 -0.05 0.00 1.00 0.00 0.00 64.86 64.60 2kaw h ILE 77 Cb 0.41 1.60 -0.02 0.00 -0.74 0.00 0.00 36.82 38.07 2kaw h ILE 77 CO 0.01 0.43 0.01 0.58 0.00 0.00 0.00 178.15 179.17 2kaw h VAL 78 N 0.33 1.21 -0.05 1.67 2.07 -0.26 -1.49 116.25 119.73 2kaw h VAL 78 Ca 0.05 -0.83 0.00 0.00 0.82 0.00 0.00 66.70 66.74 2kaw h VAL 78 Cb 0.75 0.92 0.00 0.00 -1.52 0.00 0.00 31.29 31.44 2kaw h VAL 78 CO 0.05 0.29 0.00 -1.20 0.02 0.00 0.00 177.57 176.73 2kaw n SER 79 N -4.27 0.58 -4.72 0.57 7.64 -0.24 -4.81 113.62 108.38 2kaw n SER 79 Ca 0.02 -1.48 -0.25 0.00 1.01 0.00 0.00 58.87 58.16 2kaw n SER 79 Cb 0.25 -0.03 -0.07 0.00 -1.01 0.00 0.00 64.21 63.36 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 -1.94 2.59 -0.23 1.43 2.00 -0.56 -5.05 119.66 117.90 2kaw s GLN 80 Ca 0.31 -1.08 -0.15 0.00 -2.00 0.00 0.00 55.36 52.44 2kaw s GLN 80 Cb 0.15 -2.43 -0.04 0.00 0.80 0.00 0.00 33.01 31.49 2kaw s GLN 80 CO 0.25 0.44 0.38 0.99 -0.50 0.00 0.00 175.29 176.84 2kaw s THR 81 N -1.88 5.20 0.00 -0.34 2.01 -1.26 -4.96 115.64 114.40 2kaw s THR 81 Ca 0.30 0.62 0.00 0.00 0.31 0.00 0.00 61.69 62.92 2kaw s THR 81 Cb -0.09 -3.70 0.00 0.00 0.01 0.00 0.00 72.50 68.72 2kaw s THR 81 CO 0.21 0.22 0.00 0.61 -0.69 0.00 0.00 174.62 174.97 2kaw n GLY 82 N 4.24 -0.70 3.56 4.40 0.00 -1.26 -5.07 105.19 110.36 2kaw n GLY 82 Ca -0.09 -1.13 -0.39 0.00 0.00 0.00 0.00 46.02 44.41 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 3.28 -0.12 1.61 0.04 -1.26 -4.40 135.00 132.15 2kaw s PRO 83 Ca 0.00 -0.66 -0.29 0.00 0.04 0.00 0.00 61.00 60.09 2kaw s PRO 83 Cb 0.00 -4.93 -0.03 0.00 0.04 0.00 0.00 34.50 29.58 2kaw s PRO 83 CO 0.00 -2.38 1.42 0.42 0.04 0.00 0.00 177.00 176.50 2kaw s ILE 84 N 6.11 4.00 -0.12 0.56 1.01 -1.24 -4.88 121.20 126.63 2kaw s ILE 84 Ca 0.47 1.21 0.02 0.00 0.00 0.00 0.00 60.65 62.36 2kaw s ILE 84 Cb -0.04 -3.78 0.01 0.00 0.01 0.00 0.00 42.46 38.66 2kaw s ILE 84 CO 0.00 -0.11 -0.19 -0.44 0.00 0.00 0.00 174.94 174.20 2kaw s SER 85 N 2.54 2.80 0.12 3.58 0.01 -1.26 -0.95 113.70 120.54 2kaw s SER 85 Ca 0.62 -0.52 0.08 0.00 1.31 0.00 0.00 55.95 57.44 2kaw s SER 85 Cb -0.26 -1.28 -0.04 0.00 0.21 0.00 0.00 66.02 64.65 2kaw s SER 85 CO 0.21 0.06 -0.19 -0.76 0.41 0.00 0.00 173.24 172.96 2kaw s LEU 86 N 0.83 2.34 -0.27 2.44 1.02 -0.17 -0.82 118.68 124.05 2kaw s LEU 86 Ca -0.08 -0.74 -0.02 0.00 0.02 0.00 0.00 54.13 53.31 2kaw s LEU 86 Cb -0.16 -0.83 0.03 0.00 0.02 0.00 0.00 46.19 45.25 2kaw s LEU 86 CO -0.00 0.02 -0.03 0.42 0.02 0.00 0.00 176.35 176.77 2kaw s THR 87 N -1.46 2.99 -0.20 5.49 -4.23 -0.37 -0.96 115.64 116.90 2kaw s THR 87 Ca 0.09 -1.12 -0.09 0.00 -1.18 0.00 0.00 61.69 59.39 2kaw s THR 87 Cb -0.09 -2.58 -0.05 0.00 1.34 0.00 0.00 72.50 71.12 2kaw s THR 87 CO 0.05 0.09 0.11 0.68 -0.54 0.00 0.00 174.62 175.01 2kaw s VAL 88 N 1.31 5.23 -0.50 2.29 -7.23 -0.17 -1.83 120.40 119.50 2kaw s VAL 88 Ca -0.01 0.13 -0.18 0.00 -1.81 0.00 0.00 61.98 60.11 2kaw s VAL 88 Cb -0.18 -3.39 0.07 0.00 0.56 0.00 0.00 36.38 33.45 2kaw s VAL 88 CO -0.03 0.44 0.54 0.00 -0.31 0.00 0.00 175.10 175.74 2kaw s ALA 89 N 0.41 3.46 -2.79 1.32 0.00 0.19 -0.82 121.76 123.54 2kaw s ALA 89 Ca 0.07 -1.94 0.26 0.00 0.00 0.00 0.00 51.96 50.34 2kaw s ALA 89 Cb -0.12 -3.25 0.56 0.00 0.00 0.00 0.00 23.12 20.31 2kaw s ALA 89 CO -0.01 -1.92 1.47 1.63 0.00 0.00 0.00 175.76 176.92