#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 5.20 -0.08 -1.44 1.01 -1.26 -0.13 121.20 124.49 2kaw s ILE 2 Ca 0.00 0.74 0.02 0.00 0.00 0.00 0.00 60.65 61.41 2kaw s ILE 2 Cb 0.00 -3.70 0.01 0.00 0.01 0.00 0.00 42.46 38.78 2kaw s ILE 2 CO 0.00 0.44 -0.14 -0.63 0.00 0.00 0.00 174.94 174.61 2kaw s ILE 3 N -0.01 1.28 -0.29 2.92 1.01 0.64 -4.98 121.20 121.77 2kaw s ILE 3 Ca 0.21 -0.55 -0.08 0.00 0.00 0.00 0.00 60.65 60.24 2kaw s ILE 3 Cb -0.15 -1.17 0.00 0.00 0.01 0.00 0.00 42.46 41.15 2kaw s ILE 3 CO 0.09 0.39 0.10 -0.89 0.00 0.00 0.00 174.94 174.63 2kaw s THR 4 N 0.77 4.18 0.16 2.92 2.01 -1.26 -0.74 115.64 123.68 2kaw s THR 4 Ca -0.12 -0.56 0.08 0.00 0.31 0.00 0.00 61.69 61.39 2kaw s THR 4 Cb -0.16 -3.12 -0.04 0.00 0.01 0.00 0.00 72.50 69.19 2kaw s THR 4 CO 0.02 0.10 -0.06 0.68 -0.69 0.00 0.00 174.62 174.68 2kaw s VAL 5 N 1.54 3.45 -0.08 3.82 -7.23 0.08 -4.95 120.40 117.03 2kaw s VAL 5 Ca 0.04 -1.47 0.01 0.00 -1.81 0.00 0.00 61.98 58.75 2kaw s VAL 5 Cb -0.17 -2.70 -0.02 0.00 0.56 0.00 0.00 36.38 34.05 2kaw s VAL 5 CO 0.04 -0.06 -0.11 0.28 -0.31 0.00 0.00 175.10 174.93 2kaw s THR 6 N -1.60 3.27 -0.03 5.32 -1.32 -1.26 -0.74 115.64 119.27 2kaw s THR 6 Ca 0.25 -0.62 0.04 0.00 -1.21 0.00 0.00 61.69 60.15 2kaw s THR 6 Cb -0.10 -2.33 -0.03 0.00 -1.51 0.00 0.00 72.50 68.54 2kaw s THR 6 CO 0.16 0.57 -0.13 -0.76 -2.21 0.00 0.00 174.62 172.25 2kaw s LEU 7 N -0.37 2.83 -0.38 9.08 1.43 0.71 -5.01 118.68 126.96 2kaw s LEU 7 Ca 0.04 -0.19 -0.20 0.00 -1.03 0.00 0.00 54.13 52.75 2kaw s LEU 7 Cb -0.12 -1.60 0.01 0.00 0.03 0.00 0.00 46.19 44.51 2kaw s LEU 7 CO 0.02 0.33 0.61 0.21 0.23 0.00 0.00 176.35 177.75 2kaw s ASN 8 N -0.91 6.36 0.00 2.29 3.84 -1.26 -2.92 114.94 122.34 2kaw s ASN 8 Ca 0.13 -0.07 0.15 0.00 0.21 0.00 0.00 52.86 53.27 2kaw s ASN 8 Cb -0.11 -2.31 0.42 0.00 -0.55 0.00 0.00 41.25 38.71 2kaw s ASN 8 CO 0.02 -0.63 1.35 0.23 -2.79 0.00 0.00 177.10 175.28 2kaw n MET 9 N 6.05 2.06 -0.09 0.43 2.81 -1.26 -2.95 117.12 124.17 2kaw n MET 9 Ca -0.02 -1.65 -0.17 0.00 -1.81 0.00 0.00 57.70 54.06 2kaw n MET 9 Cb 0.48 -1.36 -0.10 0.00 -0.71 0.00 0.00 33.22 31.53 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 2.71 0.00 0.00 0.03 4.39 -1.93 -3.38 114.58 116.39 2kaw h GLU 10 Ca 0.00 0.00 -0.05 0.00 0.34 0.00 0.00 59.36 59.65 2kaw h GLU 10 Cb 0.62 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.26 2kaw h GLU 10 CO 0.00 0.84 -0.79 -0.09 -1.16 0.00 0.00 179.01 177.81 2kaw h ARG 11 N -1.00 0.00 -6.32 2.33 2.43 -2.01 -3.46 114.38 106.35 2kaw h ARG 11 Ca -0.19 0.00 -0.59 0.00 -0.81 0.00 0.00 59.98 58.38 2kaw h ARG 11 Cb 1.06 0.00 -0.11 0.00 -0.42 0.00 0.00 29.97 30.50 2kaw h ARG 11 CO -0.12 0.14 -0.65 -1.01 -1.51 0.00 0.00 179.97 176.82 2kaw s HIS 12 N -3.18 2.84 -0.03 2.20 3.76 -1.15 -5.03 115.29 114.70 2kaw s HIS 12 Ca 0.01 -0.14 0.03 0.00 -0.15 0.00 0.00 55.06 54.81 2kaw s HIS 12 Cb 0.08 -1.36 -0.05 0.00 1.11 0.00 0.00 32.58 32.36 2kaw s HIS 12 CO 0.76 0.53 0.02 0.72 -0.85 0.00 0.00 174.74 175.92 2kaw n HIS 13 N -0.25 0.00 -4.20 1.40 8.25 -1.26 -4.47 115.22 114.69 2kaw n HIS 13 Ca -0.09 0.00 -0.17 0.00 -0.26 0.00 0.00 57.72 57.20 2kaw n HIS 13 Cb 0.56 -0.17 -0.11 0.00 1.12 0.00 0.00 29.99 31.38 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 -2.12 1.25 0.09 4.41 -0.71 -1.26 -5.03 117.98 114.61 2kaw s PHE 14 Ca -0.02 -0.54 -0.07 0.00 -1.04 0.00 0.00 56.93 55.26 2kaw s PHE 14 Cb 0.01 -0.68 -0.22 0.00 -1.21 0.00 0.00 43.02 40.92 2kaw s PHE 14 CO 0.15 0.08 1.18 -0.07 -1.34 0.00 0.00 175.22 175.22 2kaw h LEU 15 N 3.82 0.59 -1.93 -1.99 3.38 -1.94 0.64 115.31 117.88 2kaw h LEU 15 Ca -0.40 -0.56 -0.05 0.00 0.09 0.00 0.00 57.88 56.97 2kaw h LEU 15 Cb 1.19 -0.19 0.03 0.00 0.09 0.00 0.00 40.66 41.78 2kaw h LEU 15 CO 0.47 1.39 -0.12 0.61 0.09 0.00 0.00 178.44 180.88 2kaw n GLY 16 N 1.31 0.32 2.84 0.83 0.00 -1.26 -1.09 105.19 108.13 2kaw n GLY 16 Ca -0.10 -0.39 -0.13 0.00 0.00 0.00 0.00 46.02 45.40 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 -0.50 -0.33 -0.61 -4.36 -1.26 -0.07 121.20 111.01 2kaw s ILE 17 Ca 0.00 -0.27 -0.29 0.00 -0.26 0.00 0.00 60.65 59.83 2kaw s ILE 17 Cb -0.00 -0.90 0.01 0.00 1.25 0.00 0.00 42.46 42.82 2kaw s ILE 17 CO 0.11 -0.29 1.27 -0.94 0.24 0.00 0.00 174.94 175.33 2kaw s SER 18 N 2.45 6.66 0.14 4.36 1.04 -0.22 -4.90 113.70 123.24 2kaw s SER 18 Ca 0.10 1.07 -0.30 0.00 0.48 0.00 0.00 55.95 57.29 2kaw s SER 18 Cb -0.14 -2.54 -0.07 0.00 0.10 0.00 0.00 66.02 63.36 2kaw s SER 18 CO -0.25 -1.11 1.20 -0.63 0.98 0.00 0.00 173.24 173.43 2kaw s ILE 19 N 4.42 3.72 -0.23 -1.02 -1.09 -1.26 -0.10 121.20 125.63 2kaw s ILE 19 Ca 0.55 1.37 0.01 0.00 -2.23 0.00 0.00 60.65 60.34 2kaw s ILE 19 Cb -0.15 -3.88 0.06 0.00 -1.58 0.00 0.00 42.46 36.92 2kaw s ILE 19 CO 0.24 0.18 -0.05 -0.69 -1.23 0.00 0.00 174.94 173.39 2kaw s VAL 20 N 0.31 1.52 -0.09 2.92 1.01 0.60 -4.85 120.40 121.82 2kaw s VAL 20 Ca 0.55 -1.21 -0.30 0.00 0.00 0.00 0.00 61.98 61.03 2kaw s VAL 20 Cb -0.32 -1.78 -0.02 0.00 0.00 0.00 0.00 36.38 34.26 2kaw s VAL 20 CO 0.34 -0.09 1.05 -0.83 0.00 0.00 0.00 175.10 175.56 2kaw s GLY 21 N 1.40 2.34 -0.38 4.51 0.00 -1.26 -0.46 107.32 113.47 2kaw s GLY 21 Ca -0.06 0.44 -0.28 0.00 0.00 0.00 0.00 44.72 44.83 2kaw s GLY 21 CO -0.06 1.96 1.05 1.62 0.00 0.00 0.00 173.10 177.68 2kaw s GLN 22 N 1.97 3.89 0.13 2.90 0.74 0.81 -4.96 119.66 125.13 2kaw s GLN 22 Ca 0.50 0.77 -0.02 0.00 0.05 0.00 0.00 55.36 56.66 2kaw s GLN 22 Cb -0.20 -3.81 -0.05 0.00 1.10 0.00 0.00 33.01 30.05 2kaw s GLN 22 CO 0.20 -1.07 0.32 -1.12 -0.55 0.00 0.00 175.29 173.06 2kaw s SER 23 N 1.97 6.41 0.21 6.67 0.01 -1.26 -2.64 113.70 125.08 2kaw s SER 23 Ca 0.44 0.41 -0.03 0.00 1.31 0.00 0.00 55.95 58.08 2kaw s SER 23 Cb -0.10 -2.02 0.01 0.00 0.21 0.00 0.00 66.02 64.12 2kaw s SER 23 CO 0.22 0.07 0.34 -3.20 0.41 0.00 0.00 173.24 171.07 2kaw n ASN 24 N -0.07 -0.95 0.01 2.44 5.15 -1.26 -4.93 115.26 115.64 2kaw n ASN 24 Ca -0.04 -2.05 0.11 0.00 -0.60 0.00 0.00 54.58 52.00 2kaw n ASN 24 Cb 0.52 1.70 0.54 0.00 -0.53 0.00 0.00 39.78 42.01 2kaw n ASN 24 CO 0.00 0.00 0.00 -0.78 1.40 0.00 0.00 177.26 177.88 2kaw h ASP 25 N 1.15 0.27 0.00 1.20 3.58 -2.03 -3.16 116.42 117.43 2kaw h ASP 25 Ca -0.17 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.28 2kaw h ASP 25 Cb 0.70 -0.06 0.00 0.00 1.72 0.00 0.00 39.33 41.69 2kaw h ASP 25 CO 0.22 0.17 -0.19 0.03 -2.88 0.00 0.00 179.24 176.60 2kaw h ARG 26 N 0.31 0.00 0.00 0.28 2.47 -2.01 -3.50 114.38 111.93 2kaw h ARG 26 Ca 0.20 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.92 2kaw h ARG 26 Cb 0.38 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.70 2kaw h ARG 26 CO -0.04 0.00 0.00 0.41 0.56 0.00 0.00 179.97 180.90 2kaw n GLY 27 N 1.73 1.37 2.23 0.04 0.00 -1.20 -5.02 105.19 104.34 2kaw n GLY 27 Ca -0.03 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.73 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 6.85 0.10 1.61 5.75 -1.26 -4.47 116.55 125.12 2kaw n ASP 28 Ca 0.00 -2.69 -0.19 0.00 -0.01 0.00 0.00 54.79 51.89 2kaw n ASP 28 Cb 0.00 -1.43 -0.12 0.00 -1.03 0.00 0.00 41.12 38.54 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 5.52 0.53 0.00 6.12 0.00 -1.86 -3.50 103.07 109.88 2kaw h GLY 29 Ca 0.49 -1.18 0.00 0.00 0.00 0.00 0.00 47.33 46.65 2kaw h GLY 29 CO 0.95 1.03 0.00 0.61 0.00 0.00 0.00 176.54 179.14 2kaw n GLY 30 N 1.40 2.16 3.72 4.60 0.00 -1.23 -4.70 105.19 111.13 2kaw n GLY 30 Ca -0.11 -1.83 -0.38 0.00 0.00 0.00 0.00 46.02 43.69 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 -2.64 5.19 0.36 -0.61 -4.36 -1.26 -0.13 121.20 117.74 2kaw s ILE 31 Ca 0.00 0.94 0.09 0.00 -0.26 0.00 0.00 60.65 61.41 2kaw s ILE 31 Cb 0.00 -3.81 -0.06 0.00 1.25 0.00 0.00 42.46 39.84 2kaw s ILE 31 CO 0.00 0.32 0.01 -0.31 0.24 0.00 0.00 174.94 175.20 2kaw s TYR 32 N 0.69 2.53 -0.31 1.37 1.51 0.39 -1.03 117.35 122.50 2kaw s TYR 32 Ca 0.25 -0.49 -0.23 0.00 -1.01 0.00 0.00 57.07 55.60 2kaw s TYR 32 Cb -0.15 -1.56 -0.00 0.00 -0.11 0.00 0.00 41.96 40.14 2kaw s TYR 32 CO 0.10 0.46 0.75 0.42 -1.11 0.00 0.00 175.55 176.17 2kaw s ILE 33 N -2.56 4.82 0.00 2.71 -1.09 0.79 -0.29 121.20 125.58 2kaw s ILE 33 Ca 0.35 1.11 0.00 0.00 -2.23 0.00 0.00 60.65 59.88 2kaw s ILE 33 Cb 0.02 -4.12 0.00 0.00 -1.58 0.00 0.00 42.46 36.78 2kaw s ILE 33 CO 0.19 -0.23 0.00 0.61 -1.23 0.00 0.00 174.94 174.28 2kaw n GLY 34 N 4.25 0.95 3.27 6.18 0.00 0.86 -1.54 105.19 119.15 2kaw n GLY 34 Ca 0.03 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.82 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 -1.52 2.39 -0.17 1.61 0.01 -1.23 -4.52 113.70 110.27 2kaw s SER 35 Ca 0.00 -0.67 -0.06 0.00 1.31 0.00 0.00 55.95 56.53 2kaw s SER 35 Cb 0.00 -0.12 -0.04 0.00 0.21 0.00 0.00 66.02 66.07 2kaw s SER 35 CO 0.00 0.04 0.04 -0.63 0.41 0.00 0.00 173.24 173.09 2kaw s ILE 36 N -1.17 4.56 -0.16 1.44 1.01 -1.26 -1.06 121.20 124.56 2kaw s ILE 36 Ca 0.05 -0.12 -0.14 0.00 0.00 0.00 0.00 60.65 60.44 2kaw s ILE 36 Cb -0.10 -3.03 -0.05 0.00 0.01 0.00 0.00 42.46 39.29 2kaw s ILE 36 CO 0.04 0.48 0.29 -0.04 0.00 0.00 0.00 174.94 175.71 2kaw s MET 37 N 0.25 4.24 0.02 2.79 -1.94 0.90 -4.96 119.30 120.61 2kaw s MET 37 Ca 0.02 0.09 -0.30 0.00 -1.71 0.00 0.00 55.69 53.79 2kaw s MET 37 Cb -0.13 -3.42 -0.06 0.00 2.01 0.00 0.00 34.83 33.23 2kaw s MET 37 CO 0.01 0.25 1.45 0.21 -0.01 0.00 0.00 175.02 176.94 2kaw s LYS 38 N 0.42 4.27 0.00 2.03 2.47 -1.26 -2.27 119.74 125.39 2kaw s LYS 38 Ca 0.16 2.05 0.00 0.00 -1.56 0.00 0.00 55.97 56.63 2kaw s LYS 38 Cb -0.13 -3.56 0.00 0.00 -1.46 0.00 0.00 37.83 32.68 2kaw s LYS 38 CO 0.04 -0.60 0.00 0.41 0.16 0.00 0.00 175.35 175.36 2kaw n GLY 39 N 3.71 0.72 3.93 5.54 0.00 -1.26 -5.10 105.19 112.74 2kaw n GLY 39 Ca 0.14 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.90 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 -1.39 1.66 0.28 -0.02 0.00 -0.96 -4.83 107.32 102.06 2kaw s GLY 40 Ca 0.00 -0.86 -0.03 0.00 0.00 0.00 0.00 44.72 43.83 2kaw s GLY 40 CO 0.00 -0.52 1.89 0.00 0.00 0.00 0.00 173.10 174.47 2kaw h ALA 41 N -0.36 1.28 -0.20 3.20 0.00 0.03 -2.54 119.26 120.67 2kaw h ALA 41 Ca -0.45 -0.13 -0.13 0.00 0.00 0.00 0.00 54.91 54.21 2kaw h ALA 41 Cb 1.29 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 18.77 2kaw h ALA 41 CO 0.60 0.57 -0.43 0.28 0.00 0.00 0.00 179.25 180.26 2kaw h VAL 42 N 1.04 1.31 0.00 0.00 2.07 -1.38 -2.66 116.25 116.63 2kaw h VAL 42 Ca 0.26 -1.61 0.00 0.00 0.82 0.00 0.00 66.70 66.17 2kaw h VAL 42 Cb 0.06 1.63 0.00 0.00 -1.52 0.00 0.00 31.29 31.46 2kaw h VAL 42 CO -0.04 0.50 0.00 0.00 0.02 0.00 0.00 177.57 178.05 2kaw h ALA 43 N 1.14 1.00 -0.02 1.67 0.00 -1.61 -0.44 119.26 121.00 2kaw h ALA 43 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.94 2kaw h ALA 43 Cb 0.92 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.71 2kaw h ALA 43 CO 0.08 0.00 -0.02 0.00 0.00 0.00 0.00 179.25 179.31 2kaw n ALA 44 N -1.81 2.56 -0.06 0.00 0.00 -1.00 -4.53 120.51 115.67 2kaw n ALA 44 Ca 0.00 -0.55 0.00 0.00 0.00 0.00 0.00 53.44 52.89 2kaw n ALA 44 Cb 0.13 -1.01 0.00 0.00 0.00 0.00 0.00 19.45 18.57 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 0.62 0.00 0.00 0.00 -0.08 -0.18 -5.04 116.55 111.86 2kaw n ASP 45 Ca 0.17 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.45 2kaw n ASP 45 Cb 0.46 -0.42 0.00 0.00 2.34 0.00 0.00 41.12 43.50 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 1.77 2.22 0.30 0.27 0.00 -1.16 -4.94 105.19 103.66 2kaw n GLY 46 Ca 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 45.96 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 0.63 0.95 -6.42 1.61 3.08 -1.96 -3.42 114.38 108.84 2kaw h ARG 47 Ca 0.00 -0.26 -0.54 0.00 0.07 0.00 0.00 59.98 59.25 2kaw h ARG 47 Cb 0.00 -0.11 -0.03 0.00 0.08 0.00 0.00 29.97 29.91 2kaw h ARG 47 CO 0.00 0.91 0.11 0.42 -1.07 0.00 0.00 179.97 180.34 2kaw s ILE 48 N -5.08 4.51 0.12 2.04 1.01 -1.26 -5.07 121.20 117.47 2kaw s ILE 48 Ca -0.11 1.55 -0.09 0.00 0.00 0.00 0.00 60.65 62.01 2kaw s ILE 48 Cb 0.14 -4.07 -0.01 0.00 0.01 0.00 0.00 42.46 38.54 2kaw s ILE 48 CO 0.83 0.52 0.22 -1.83 0.00 0.00 0.00 174.94 174.68 2kaw s GLU 49 N -1.04 0.97 -0.18 2.79 -1.05 -1.26 -5.00 118.70 113.93 2kaw s GLU 49 Ca 0.34 -1.06 -0.34 0.00 -0.15 0.00 0.00 54.97 53.76 2kaw s GLU 49 Cb -0.22 0.35 -0.11 0.00 -0.44 0.00 0.00 34.13 33.72 2kaw s GLU 49 CO 0.24 -0.33 1.99 -2.30 0.95 0.00 0.00 175.26 175.81 2kaw n PRO 50 N -0.12 1.83 0.00 -4.83 -0.02 -1.26 -2.05 135.00 128.55 2kaw n PRO 50 Ca -0.12 0.63 0.00 0.00 -2.02 0.00 0.00 63.50 61.99 2kaw n PRO 50 Cb 0.63 -2.65 0.00 0.00 -0.02 0.00 0.00 33.50 31.46 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 5.06 1.72 3.78 -1.23 0.00 -0.59 -5.03 105.19 108.89 2kaw n GLY 51 Ca 0.28 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.93 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 -1.35 6.35 -0.13 1.61 1.01 -0.87 -4.75 116.67 118.54 2kaw s ASP 52 Ca 0.00 2.20 -0.05 0.00 0.71 0.00 0.00 52.55 55.41 2kaw s ASP 52 Cb 0.00 -2.59 -0.04 0.00 1.01 0.00 0.00 42.92 41.30 2kaw s ASP 52 CO 0.00 -0.79 0.04 -0.32 0.21 0.00 0.00 175.17 174.32 2kaw s MET 53 N -2.68 3.42 -0.14 8.23 -2.45 -0.98 -0.14 119.30 124.55 2kaw s MET 53 Ca 0.62 -0.34 -0.22 0.00 -1.25 0.00 0.00 55.69 54.49 2kaw s MET 53 Cb -0.26 -3.00 -0.03 0.00 1.25 0.00 0.00 34.83 32.79 2kaw s MET 53 CO 0.31 0.56 0.68 -0.51 1.05 0.00 0.00 175.02 177.12 2kaw s LEU 54 N -0.45 4.21 -0.13 4.11 1.43 -0.20 0.09 118.68 127.75 2kaw s LEU 54 Ca 0.09 1.02 -0.10 0.00 -1.03 0.00 0.00 54.13 54.11 2kaw s LEU 54 Cb -0.12 -3.01 -0.06 0.00 0.03 0.00 0.00 46.19 43.03 2kaw s LEU 54 CO 0.02 -0.23 -0.22 0.18 0.23 0.00 0.00 176.35 176.33 2kaw n LEU 55 N 4.58 1.40 -4.12 1.79 4.77 -0.00 -4.56 117.00 120.86 2kaw n LEU 55 Ca -0.00 0.23 -0.23 0.00 -0.03 0.00 0.00 56.01 55.98 2kaw n LEU 55 Cb 0.50 -0.54 -0.15 0.00 -2.33 0.00 0.00 43.42 40.90 2kaw n LEU 55 CO 0.46 -0.02 -0.48 -1.58 -1.33 0.00 0.00 177.39 174.44 2kaw s GLN 56 N -2.43 1.19 -0.21 3.23 0.74 -1.09 0.04 119.66 121.14 2kaw s GLN 56 Ca -0.21 -0.52 -0.02 0.00 0.05 0.00 0.00 55.36 54.65 2kaw s GLN 56 Cb 0.06 -1.15 0.06 0.00 1.10 0.00 0.00 33.01 33.08 2kaw s GLN 56 CO 0.28 0.31 0.03 0.08 -0.55 0.00 0.00 175.29 175.45 2kaw s VAL 57 N -0.34 0.61 -1.10 1.34 1.01 0.11 -0.31 120.40 121.72 2kaw s VAL 57 Ca 0.06 -0.66 -0.18 0.00 0.00 0.00 0.00 61.98 61.20 2kaw s VAL 57 Cb -0.06 -1.12 -0.01 0.00 0.00 0.00 0.00 36.38 35.19 2kaw s VAL 57 CO -0.01 -0.24 0.80 0.59 0.00 0.00 0.00 175.10 176.24 2kaw n ASN 58 N 5.01 -5.56 0.00 3.32 4.13 -0.36 -1.52 115.26 120.28 2kaw n ASN 58 Ca -0.09 -0.95 0.00 0.00 1.68 0.00 0.00 54.58 55.22 2kaw n ASN 58 Cb 0.47 -3.55 0.00 0.00 -1.54 0.00 0.00 39.78 35.15 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 -2.67 0.00 -4.67 6.41 8.00 -1.26 -4.96 116.55 117.39 2kaw n ASP 59 Ca -0.09 0.00 -0.41 0.00 0.71 0.00 0.00 54.79 54.99 2kaw n ASP 59 Cb 0.59 -0.18 -0.04 0.00 -0.02 0.00 0.00 41.12 41.47 2kaw n ASP 59 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 2kaw s VAL 60 N -0.94 4.89 -0.22 2.53 1.01 -0.58 -5.03 120.40 122.05 2kaw s VAL 60 Ca 0.00 1.60 -0.18 0.00 0.00 0.00 0.00 61.98 63.40 2kaw s VAL 60 Cb 0.00 -4.12 -0.03 0.00 0.00 0.00 0.00 36.38 32.23 2kaw s VAL 60 CO 0.00 0.03 0.52 0.21 0.00 0.00 0.00 175.10 175.86 2kaw s ASN 61 N 1.17 6.52 0.00 3.32 2.47 -1.26 0.06 114.94 127.22 2kaw s ASN 61 Ca 0.38 0.63 0.21 0.00 0.42 0.00 0.00 52.86 54.50 2kaw s ASN 61 Cb -0.16 -2.29 0.10 0.00 -1.45 0.00 0.00 41.25 37.44 2kaw s ASN 61 CO 0.12 -0.23 1.12 0.49 -3.72 0.00 0.00 177.10 174.88 2kaw n PHE 62 N 5.09 0.00 0.30 0.43 3.72 0.11 -4.39 117.46 122.72 2kaw n PHE 62 Ca -0.04 0.00 0.18 0.00 -0.05 0.00 0.00 57.45 57.53 2kaw n PHE 62 Cb 0.50 0.00 0.95 0.00 -0.94 0.00 0.00 39.48 39.99 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 3.45 0.00 -0.04 -1.08 5.08 -1.82 -2.31 114.58 117.86 2kaw h GLU 63 Ca 0.00 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.34 2kaw h GLU 63 Cb 0.82 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.06 2kaw h GLU 63 CO 0.00 0.03 -0.36 -1.71 -1.00 0.00 0.00 179.01 175.98 2kaw n ASN 64 N -3.42 1.95 -4.40 1.42 2.85 -1.26 -5.03 115.26 107.37 2kaw n ASN 64 Ca -0.02 -3.74 -0.21 0.00 -0.11 0.00 0.00 54.58 50.50 2kaw n ASN 64 Cb 0.15 -0.53 -0.10 0.00 1.24 0.00 0.00 39.78 40.54 2kaw n ASN 64 CO 0.00 0.00 0.00 -0.04 -2.11 0.00 0.00 177.26 175.11 2kaw s MET 65 N -3.17 1.47 0.62 1.20 -1.94 -0.87 -5.13 119.30 111.47 2kaw s MET 65 Ca 0.38 -1.67 -0.16 0.00 -1.71 0.00 0.00 55.69 52.53 2kaw s MET 65 Cb 0.36 -1.36 -0.02 0.00 2.01 0.00 0.00 34.83 35.81 2kaw s MET 65 CO -0.04 0.23 1.11 -1.12 -0.01 0.00 0.00 175.02 175.19 2kaw s SER 66 N -3.40 5.35 0.16 3.03 0.01 -1.26 -4.81 113.70 112.79 2kaw s SER 66 Ca 0.26 2.03 -0.16 0.00 1.31 0.00 0.00 55.95 59.39 2kaw s SER 66 Cb -0.02 -2.56 0.11 0.00 0.21 0.00 0.00 66.02 63.76 2kaw s SER 66 CO 0.10 -1.47 1.72 0.78 0.41 0.00 0.00 173.24 174.78 2kaw h ASN 67 N 0.39 -0.05 -0.02 2.44 2.35 -1.94 0.20 115.58 118.95 2kaw h ASN 67 Ca -0.48 0.08 -0.00 0.00 -0.55 0.00 0.00 56.30 55.35 2kaw h ASN 67 Cb 1.25 0.12 -0.00 0.00 0.05 0.00 0.00 38.32 39.73 2kaw h ASN 67 CO 0.55 0.01 0.01 0.44 -1.65 0.00 0.00 177.43 176.79 2kaw h ASP 68 N 0.17 0.02 -0.94 5.81 5.19 -1.97 -2.59 116.42 122.11 2kaw h ASP 68 Ca 0.19 -0.05 0.01 0.00 -0.62 0.00 0.00 57.03 56.56 2kaw h ASP 68 Cb 0.25 -0.01 -0.05 0.00 0.18 0.00 0.00 39.33 39.70 2kaw h ASP 68 CO -0.28 0.07 0.62 0.44 -3.12 0.00 0.00 179.24 176.96 2kaw h ASP 69 N -0.03 1.09 -0.16 6.45 3.32 -1.81 -0.60 116.42 124.69 2kaw h ASP 69 Ca 0.01 -0.03 0.03 0.00 0.02 0.00 0.00 57.03 57.05 2kaw h ASP 69 Cb 0.05 -0.27 -0.03 0.00 0.22 0.00 0.00 39.33 39.30 2kaw h ASP 69 CO -0.00 0.80 -0.01 0.00 -1.72 0.00 0.00 179.24 178.30 2kaw h ALA 70 N 1.40 0.12 -0.30 3.45 0.00 -0.40 -0.32 119.26 123.22 2kaw h ALA 70 Ca 0.34 0.05 -0.10 0.00 0.00 0.00 0.00 54.91 55.21 2kaw h ALA 70 Cb -0.13 0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 2kaw h ALA 70 CO -0.07 -0.46 -0.22 0.28 0.00 0.00 0.00 179.25 178.78 2kaw h VAL 71 N 0.03 1.26 0.25 0.00 2.07 -1.07 -0.92 116.25 117.87 2kaw h VAL 71 Ca 0.07 -1.25 -0.01 0.00 0.82 0.00 0.00 66.70 66.33 2kaw h VAL 71 Cb 0.10 1.28 0.00 0.00 -1.52 0.00 0.00 31.29 31.15 2kaw h VAL 71 CO -0.14 0.40 -0.12 0.03 0.02 0.00 0.00 177.57 177.77 2kaw h ARG 72 N 0.50 -0.32 -0.52 1.57 3.08 -0.47 0.96 114.38 119.18 2kaw h ARG 72 Ca 0.08 0.02 -0.08 0.00 0.07 0.00 0.00 59.98 60.06 2kaw h ARG 72 Cb 0.66 0.07 -0.02 0.00 0.08 0.00 0.00 29.97 30.76 2kaw h ARG 72 CO 0.05 -0.21 -0.02 0.28 -1.07 0.00 0.00 179.97 179.00 2kaw h VAL 73 N -0.33 1.25 -0.98 2.04 2.07 -1.02 -2.63 116.25 116.66 2kaw h VAL 73 Ca -0.03 -1.09 0.02 0.00 0.82 0.00 0.00 66.70 66.42 2kaw h VAL 73 Cb 0.25 0.87 -0.05 0.00 -1.52 0.00 0.00 31.29 30.84 2kaw h VAL 73 CO 0.06 0.39 0.64 0.25 0.02 0.00 0.00 177.57 178.92 2kaw h LEU 74 N 0.82 1.10 -0.83 2.57 5.85 -0.86 -1.93 115.31 122.02 2kaw h LEU 74 Ca 0.15 -0.02 0.06 0.00 0.84 0.00 0.00 57.88 58.91 2kaw h LEU 74 Cb 0.51 -0.26 -0.06 0.00 0.37 0.00 0.00 40.66 41.22 2kaw h LEU 74 CO 0.03 0.77 0.51 0.03 -0.34 0.00 0.00 178.44 179.44 2kaw h ARG 75 N 1.28 0.90 -0.50 1.25 3.08 -0.43 0.31 114.38 120.27 2kaw h ARG 75 Ca 0.37 -0.05 -0.07 0.00 0.07 0.00 0.00 59.98 60.30 2kaw h ARG 75 Cb -0.08 -0.20 -0.02 0.00 0.08 0.00 0.00 29.97 29.74 2kaw h ARG 75 CO -0.10 0.59 0.05 0.93 -1.07 0.00 0.00 179.97 180.37 2kaw h GLU 76 N 0.92 0.81 0.01 0.04 4.39 -1.27 -0.63 114.58 118.86 2kaw h GLU 76 Ca 0.37 -0.20 -0.19 0.00 0.34 0.00 0.00 59.36 59.68 2kaw h GLU 76 Cb 0.18 -0.10 0.02 0.00 -0.10 0.00 0.00 28.75 28.74 2kaw h GLU 76 CO -0.18 0.79 -0.75 0.82 -1.16 0.00 0.00 179.01 178.53 2kaw h ILE 77 N 0.77 1.39 -0.39 3.13 2.04 -0.93 -3.03 117.51 120.48 2kaw h ILE 77 Ca 0.16 -2.15 -0.03 0.00 1.00 0.00 0.00 64.86 63.84 2kaw h ILE 77 Cb 0.40 2.57 -0.02 0.00 -0.74 0.00 0.00 36.82 39.03 2kaw h ILE 77 CO 0.01 0.64 0.12 0.58 0.00 0.00 0.00 178.15 179.50 2kaw h VAL 78 N 0.03 1.17 -0.54 1.67 2.07 -0.27 -1.60 116.25 118.77 2kaw h VAL 78 Ca -0.10 -0.56 -0.07 0.00 0.82 0.00 0.00 66.70 66.80 2kaw h VAL 78 Cb 1.45 0.74 -0.04 0.00 -1.52 0.00 0.00 31.29 31.92 2kaw h VAL 78 CO 0.15 0.21 0.08 -1.20 0.02 0.00 0.00 177.57 176.83 2kaw n SER 79 N -4.35 4.78 -4.69 0.57 7.64 -0.26 -4.92 113.62 112.39 2kaw n SER 79 Ca 0.02 -2.87 -0.25 0.00 1.01 0.00 0.00 58.87 56.78 2kaw n SER 79 Cb 0.17 -0.68 -0.08 0.00 -1.01 0.00 0.00 64.21 62.61 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 -2.52 2.14 0.22 1.43 2.00 -0.60 -5.01 119.66 117.32 2kaw s GLN 80 Ca 0.46 -1.88 -0.07 0.00 -2.00 0.00 0.00 55.36 51.87 2kaw s GLN 80 Cb 0.36 -1.90 -0.06 0.00 0.80 0.00 0.00 33.01 32.21 2kaw s GLN 80 CO 0.13 -0.05 0.50 0.95 -0.50 0.00 0.00 175.29 176.32 2kaw s THR 81 N -2.61 5.02 0.00 -0.34 -4.23 -1.26 -5.00 115.64 107.22 2kaw s THR 81 Ca 0.38 0.22 0.00 0.00 -1.18 0.00 0.00 61.69 61.12 2kaw s THR 81 Cb 0.04 -3.65 0.00 0.00 1.34 0.00 0.00 72.50 70.23 2kaw s THR 81 CO 0.21 -0.11 0.00 0.61 -0.54 0.00 0.00 174.62 174.79 2kaw n GLY 82 N -0.31 3.03 3.69 3.99 0.00 -1.26 -5.02 105.19 109.31 2kaw n GLY 82 Ca -0.01 -1.95 -0.42 0.00 0.00 0.00 0.00 46.02 43.64 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 -3.05 4.24 -0.11 1.61 0.04 -1.26 -4.62 135.00 131.85 2kaw s PRO 83 Ca 0.00 2.16 -0.17 0.00 0.04 0.00 0.00 61.00 63.03 2kaw s PRO 83 Cb 0.00 -3.54 -0.04 0.00 0.04 0.00 0.00 34.50 30.95 2kaw s PRO 83 CO 0.00 -0.64 0.43 0.42 0.04 0.00 0.00 177.00 177.25 2kaw s ILE 84 N 2.35 5.19 -0.18 0.56 1.01 -1.15 -4.93 121.20 124.06 2kaw s ILE 84 Ca 0.69 0.86 -0.02 0.00 0.00 0.00 0.00 60.65 62.18 2kaw s ILE 84 Cb -0.36 -3.77 -0.01 0.00 0.01 0.00 0.00 42.46 38.34 2kaw s ILE 84 CO 0.30 0.37 -0.10 -0.44 0.00 0.00 0.00 174.94 175.06 2kaw s SER 85 N 0.38 4.01 -0.16 3.58 0.01 -1.26 -0.21 113.70 120.05 2kaw s SER 85 Ca 0.24 -0.40 -0.01 0.00 1.31 0.00 0.00 55.95 57.09 2kaw s SER 85 Cb -0.15 -1.65 -0.01 0.00 0.21 0.00 0.00 66.02 64.43 2kaw s SER 85 CO 0.09 0.06 -0.12 -0.76 0.41 0.00 0.00 173.24 172.92 2kaw s LEU 86 N 0.96 2.65 -0.46 2.44 1.43 0.08 -1.22 118.68 124.56 2kaw s LEU 86 Ca -0.02 -0.40 -0.11 0.00 -1.03 0.00 0.00 54.13 52.58 2kaw s LEU 86 Cb -0.15 -1.61 0.10 0.00 0.03 0.00 0.00 46.19 44.56 2kaw s LEU 86 CO -0.01 0.10 0.33 -0.89 0.23 0.00 0.00 176.35 176.11 2kaw s THR 87 N 0.74 4.43 0.15 5.49 2.01 0.58 -0.74 115.64 128.30 2kaw s THR 87 Ca -0.05 -1.52 0.05 0.00 0.31 0.00 0.00 61.69 60.47 2kaw s THR 87 Cb -0.15 -3.80 -0.04 0.00 0.01 0.00 0.00 72.50 68.52 2kaw s THR 87 CO 0.01 -0.66 0.11 0.68 -0.69 0.00 0.00 174.62 174.08 2kaw s VAL 88 N 1.44 4.39 -0.22 3.82 -7.23 0.08 -0.82 120.40 121.86 2kaw s VAL 88 Ca 0.04 -1.08 -0.05 0.00 -1.81 0.00 0.00 61.98 59.08 2kaw s VAL 88 Cb -0.25 -3.22 -0.02 0.00 0.56 0.00 0.00 36.38 33.45 2kaw s VAL 88 CO 0.02 -0.08 -0.01 0.00 -0.31 0.00 0.00 175.10 174.72 2kaw s ALA 89 N -1.70 2.94 -0.42 1.32 0.00 0.11 -0.26 121.76 123.76 2kaw s ALA 89 Ca 0.30 -1.11 0.03 0.00 0.00 0.00 0.00 51.96 51.19 2kaw s ALA 89 Cb -0.10 -1.80 0.03 0.00 0.00 0.00 0.00 23.12 21.25 2kaw s ALA 89 CO 0.23 -0.36 0.61 1.63 0.00 0.00 0.00 175.76 177.87