#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 5.33 -0.06 -1.44 1.01 -1.26 0.10 121.20 124.88 2kaw s ILE 2 Ca 0.00 0.46 0.04 0.00 0.00 0.00 0.00 60.65 61.15 2kaw s ILE 2 Cb 0.00 -3.58 0.00 0.00 0.01 0.00 0.00 42.46 38.89 2kaw s ILE 2 CO 0.00 0.44 -0.17 -0.63 0.00 0.00 0.00 174.94 174.59 2kaw s ILE 3 N 0.13 1.42 -0.35 2.92 1.01 0.59 -4.97 121.20 121.95 2kaw s ILE 3 Ca 0.15 -0.69 -0.06 0.00 0.00 0.00 0.00 60.65 60.05 2kaw s ILE 3 Cb -0.13 -1.24 0.05 0.00 0.01 0.00 0.00 42.46 41.16 2kaw s ILE 3 CO 0.03 0.41 0.13 -0.89 0.00 0.00 0.00 174.94 174.63 2kaw s THR 4 N 0.24 3.77 0.21 2.92 2.01 -1.26 -0.43 115.64 123.10 2kaw s THR 4 Ca -0.08 -1.26 0.08 0.00 0.31 0.00 0.00 61.69 60.74 2kaw s THR 4 Cb -0.13 -3.20 -0.04 0.00 0.01 0.00 0.00 72.50 69.14 2kaw s THR 4 CO 0.03 -0.27 -0.02 0.68 -0.69 0.00 0.00 174.62 174.35 2kaw s VAL 5 N 1.38 3.50 -0.00 3.82 -7.23 -0.14 -4.92 120.40 116.80 2kaw s VAL 5 Ca -0.00 -1.64 0.04 0.00 -1.81 0.00 0.00 61.98 58.56 2kaw s VAL 5 Cb -0.20 -2.79 -0.03 0.00 0.56 0.00 0.00 36.38 33.92 2kaw s VAL 5 CO 0.02 -0.20 -0.11 0.28 -0.31 0.00 0.00 175.10 174.78 2kaw s THR 6 N -1.92 3.33 -0.04 5.32 -1.32 -1.26 0.14 115.64 119.89 2kaw s THR 6 Ca 0.28 -0.84 0.03 0.00 -1.21 0.00 0.00 61.69 59.96 2kaw s THR 6 Cb -0.08 -2.40 -0.03 0.00 -1.51 0.00 0.00 72.50 68.48 2kaw s THR 6 CO 0.18 0.44 -0.11 -0.76 -2.21 0.00 0.00 174.62 172.16 2kaw s LEU 7 N -1.23 2.93 -0.65 9.08 1.43 0.26 -4.99 118.68 125.52 2kaw s LEU 7 Ca 0.15 -0.16 -0.23 0.00 -1.03 0.00 0.00 54.13 52.86 2kaw s LEU 7 Cb -0.11 -1.64 0.07 0.00 0.03 0.00 0.00 46.19 44.54 2kaw s LEU 7 CO 0.05 0.33 0.97 0.21 0.23 0.00 0.00 176.35 178.14 2kaw s ASN 8 N -0.96 6.19 0.00 2.29 3.84 -1.26 -3.52 114.94 121.51 2kaw s ASN 8 Ca 0.13 -0.92 0.21 0.00 0.21 0.00 0.00 52.86 52.49 2kaw s ASN 8 Cb -0.11 -2.42 0.86 0.00 -0.55 0.00 0.00 41.25 39.03 2kaw s ASN 8 CO 0.03 -1.43 1.61 0.23 -2.79 0.00 0.00 177.10 174.75 2kaw n MET 9 N 7.71 1.55 0.12 0.43 2.81 -1.26 -2.82 117.12 125.66 2kaw n MET 9 Ca -0.03 -0.82 -0.06 0.00 -1.81 0.00 0.00 57.70 54.98 2kaw n MET 9 Cb 0.46 -1.38 -0.03 0.00 -0.71 0.00 0.00 33.22 31.56 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 1.68 -0.39 0.18 0.03 4.39 -1.93 -3.38 114.58 115.16 2kaw h GLU 10 Ca 0.00 0.03 -0.25 0.00 0.34 0.00 0.00 59.36 59.48 2kaw h GLU 10 Cb 0.37 0.09 0.03 0.00 -0.10 0.00 0.00 28.75 29.13 2kaw h GLU 10 CO 0.00 -0.26 -1.11 -0.09 -1.16 0.00 0.00 179.01 176.39 2kaw h ARG 11 N -1.07 0.39 -6.94 2.33 2.43 -2.01 -3.45 114.38 106.06 2kaw h ARG 11 Ca -0.04 -0.66 -0.46 0.00 -0.81 0.00 0.00 59.98 58.00 2kaw h ARG 11 Cb 0.31 0.25 -0.01 0.00 -0.42 0.00 0.00 29.97 30.09 2kaw h ARG 11 CO 0.07 1.32 0.36 -1.01 -1.51 0.00 0.00 179.97 179.19 2kaw s HIS 12 N -2.50 3.53 -0.05 2.20 3.76 -1.13 -4.97 115.29 116.14 2kaw s HIS 12 Ca -0.12 1.72 0.20 0.00 -0.15 0.00 0.00 55.06 56.71 2kaw s HIS 12 Cb 0.02 -2.95 -0.31 0.00 1.11 0.00 0.00 32.58 30.46 2kaw s HIS 12 CO 0.87 -0.02 0.40 0.72 -0.85 0.00 0.00 174.74 175.86 2kaw n HIS 13 N 0.18 0.00 -4.12 1.40 8.25 -1.26 -4.52 115.22 115.15 2kaw n HIS 13 Ca 0.04 0.00 -0.13 0.00 -0.26 0.00 0.00 57.72 57.37 2kaw n HIS 13 Cb 0.51 -0.53 -0.07 0.00 1.12 0.00 0.00 29.99 31.02 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 -3.29 1.00 -0.13 4.41 -0.71 -1.26 -5.07 117.98 112.93 2kaw s PHE 14 Ca -0.08 -1.22 -0.12 0.00 -1.04 0.00 0.00 56.93 54.48 2kaw s PHE 14 Cb 0.12 -0.23 -0.25 0.00 -1.21 0.00 0.00 43.02 41.44 2kaw s PHE 14 CO 0.84 -0.92 0.40 -0.07 -1.34 0.00 0.00 175.22 174.14 2kaw h LEU 15 N 2.30 0.35 -1.68 -1.99 3.38 -1.93 -0.04 115.31 115.69 2kaw h LEU 15 Ca -0.30 -0.85 -0.01 0.00 0.09 0.00 0.00 57.88 56.82 2kaw h LEU 15 Cb 1.24 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 41.89 2kaw h LEU 15 CO 0.42 1.74 -0.02 0.61 0.09 0.00 0.00 178.44 181.27 2kaw n GLY 16 N 1.82 0.57 2.82 0.83 0.00 -1.26 -1.42 105.19 108.55 2kaw n GLY 16 Ca -0.30 -0.52 -0.14 0.00 0.00 0.00 0.00 46.02 45.06 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 -3.01 -0.47 0.22 -0.61 -4.36 -1.26 -0.33 121.20 111.39 2kaw s ILE 17 Ca 0.01 -0.23 -0.30 0.00 -0.26 0.00 0.00 60.65 59.87 2kaw s ILE 17 Cb -0.00 -0.84 -0.09 0.00 1.25 0.00 0.00 42.46 42.78 2kaw s ILE 17 CO 0.02 -0.26 1.21 -0.94 0.24 0.00 0.00 174.94 175.21 2kaw s SER 18 N 2.43 7.05 -0.15 4.36 1.04 -0.52 -4.88 113.70 123.02 2kaw s SER 18 Ca 0.10 2.33 -0.18 0.00 0.48 0.00 0.00 55.95 58.68 2kaw s SER 18 Cb -0.15 -2.62 -0.04 0.00 0.10 0.00 0.00 66.02 63.32 2kaw s SER 18 CO -0.21 -0.38 0.48 -0.63 0.98 0.00 0.00 173.24 173.48 2kaw s ILE 19 N -0.36 5.17 -0.27 -1.02 -1.09 -1.26 0.23 121.20 122.59 2kaw s ILE 19 Ca 0.51 0.93 -0.02 0.00 -2.23 0.00 0.00 60.65 59.85 2kaw s ILE 19 Cb -0.34 -3.82 0.04 0.00 -1.58 0.00 0.00 42.46 36.76 2kaw s ILE 19 CO 0.40 0.27 -0.03 -0.69 -1.23 0.00 0.00 174.94 173.66 2kaw s VAL 20 N 0.99 2.95 -0.59 2.92 1.01 0.67 -4.87 120.40 123.47 2kaw s VAL 20 Ca 0.25 -1.18 -0.25 0.00 0.00 0.00 0.00 61.98 60.80 2kaw s VAL 20 Cb -0.15 -2.59 0.04 0.00 0.00 0.00 0.00 36.38 33.68 2kaw s VAL 20 CO 0.10 0.06 1.04 -0.83 0.00 0.00 0.00 175.10 175.47 2kaw s GLY 21 N 1.30 1.28 -0.06 4.51 0.00 -1.26 -0.34 107.32 112.74 2kaw s GLY 21 Ca -0.02 -1.22 -0.30 0.00 0.00 0.00 0.00 44.72 43.18 2kaw s GLY 21 CO -0.03 2.23 1.78 1.62 0.00 0.00 0.00 173.10 178.70 2kaw s GLN 22 N 4.40 4.05 0.14 2.90 0.74 -0.15 -4.94 119.66 126.79 2kaw s GLN 22 Ca 0.33 2.24 0.05 0.00 0.05 0.00 0.00 55.36 58.03 2kaw s GLN 22 Cb -0.11 -4.07 -0.04 0.00 1.10 0.00 0.00 33.01 29.89 2kaw s GLN 22 CO 0.19 -1.02 0.08 -1.12 -0.55 0.00 0.00 175.29 172.87 2kaw s SER 23 N 4.13 5.33 0.21 6.67 0.01 -1.26 -3.50 113.70 125.27 2kaw s SER 23 Ca 0.80 -0.16 -0.05 0.00 1.31 0.00 0.00 55.95 57.84 2kaw s SER 23 Cb -0.35 -1.34 0.02 0.00 0.21 0.00 0.00 66.02 64.56 2kaw s SER 23 CO 0.33 0.10 0.36 -3.20 0.41 0.00 0.00 173.24 171.25 2kaw n ASN 24 N -0.06 -1.04 -0.11 2.44 2.85 -1.26 -4.97 115.26 113.11 2kaw n ASN 24 Ca -0.09 -1.94 -0.05 0.00 -0.11 0.00 0.00 54.58 52.39 2kaw n ASN 24 Cb 0.54 1.79 0.15 0.00 1.24 0.00 0.00 39.78 43.50 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 1.08 0.77 0.03 1.20 1.82 -2.00 -3.33 116.42 115.99 2kaw h ASP 25 Ca -0.17 -0.19 -0.00 0.00 -0.39 0.00 0.00 57.03 56.28 2kaw h ASP 25 Cb 0.67 -0.21 0.00 0.00 0.68 0.00 0.00 39.33 40.47 2kaw h ASP 25 CO 0.22 0.85 -0.01 0.03 -1.61 0.00 0.00 179.24 178.71 2kaw h ARG 26 N 0.74 -0.04 0.00 0.28 2.47 -2.02 -3.49 114.38 112.32 2kaw h ARG 26 Ca 0.14 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.86 2kaw h ARG 26 Cb 0.47 0.01 0.00 0.00 -1.65 0.00 0.00 29.97 28.80 2kaw h ARG 26 CO 0.02 -0.02 0.00 0.41 0.56 0.00 0.00 179.97 180.94 2kaw n GLY 27 N 1.51 1.26 3.26 0.04 0.00 -1.25 -5.05 105.19 104.95 2kaw n GLY 27 Ca -0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.59 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 4.45 -0.05 1.61 5.75 -1.26 -4.66 116.55 122.39 2kaw n ASP 28 Ca 0.00 -2.88 -0.03 0.00 -0.01 0.00 0.00 54.79 51.87 2kaw n ASP 28 Cb 0.00 -1.70 -0.01 0.00 -1.03 0.00 0.00 41.12 38.37 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 4.92 -0.73 0.00 6.12 0.00 -1.23 -5.00 105.19 109.27 2kaw n GLY 29 Ca 0.50 -0.12 0.00 0.00 0.00 0.00 0.00 46.02 46.40 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 1.63 3.13 3.66 -0.02 0.00 -1.23 -4.80 105.19 107.55 2kaw n GLY 30 Ca -0.05 -1.71 -0.40 0.00 0.00 0.00 0.00 46.02 43.86 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 -1.80 5.04 0.23 -0.61 -4.36 -1.26 -0.98 121.20 117.46 2kaw s ILE 31 Ca 0.00 1.14 0.10 0.00 -0.26 0.00 0.00 60.65 61.63 2kaw s ILE 31 Cb 0.00 -3.93 -0.04 0.00 1.25 0.00 0.00 42.46 39.74 2kaw s ILE 31 CO 0.00 0.12 -0.08 -0.31 0.24 0.00 0.00 174.94 174.91 2kaw s TYR 32 N 1.85 2.59 -0.44 1.37 1.51 0.53 -1.51 117.35 123.25 2kaw s TYR 32 Ca 0.28 -0.24 -0.29 0.00 -1.01 0.00 0.00 57.07 55.81 2kaw s TYR 32 Cb -0.16 -1.20 0.03 0.00 -0.11 0.00 0.00 41.96 40.52 2kaw s TYR 32 CO 0.10 0.58 1.15 0.42 -1.11 0.00 0.00 175.55 176.69 2kaw s ILE 33 N -2.06 4.24 0.00 2.71 -1.09 0.74 -0.24 121.20 125.50 2kaw s ILE 33 Ca 0.28 1.30 0.00 0.00 -2.23 0.00 0.00 60.65 60.00 2kaw s ILE 33 Cb -0.07 -4.54 0.00 0.00 -1.58 0.00 0.00 42.46 36.26 2kaw s ILE 33 CO 0.17 -0.90 0.14 0.61 -1.23 0.00 0.00 174.94 173.73 2kaw n GLY 34 N 4.68 0.46 3.21 6.18 0.00 0.14 -1.09 105.19 118.76 2kaw n GLY 34 Ca 0.12 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.92 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 -1.28 2.09 -0.05 1.61 0.01 -1.26 -4.56 113.70 110.26 2kaw s SER 35 Ca 0.00 -0.53 -0.07 0.00 1.31 0.00 0.00 55.95 56.66 2kaw s SER 35 Cb 0.00 -0.14 -0.04 0.00 0.21 0.00 0.00 66.02 66.04 2kaw s SER 35 CO 0.00 0.07 0.22 -0.63 0.41 0.00 0.00 173.24 173.31 2kaw s ILE 36 N -0.92 5.37 -0.16 1.44 1.01 -1.26 -1.44 121.20 125.24 2kaw s ILE 36 Ca 0.04 0.22 -0.02 0.00 0.00 0.00 0.00 60.65 60.89 2kaw s ILE 36 Cb -0.09 -3.51 -0.02 0.00 0.01 0.00 0.00 42.46 38.85 2kaw s ILE 36 CO 0.02 0.49 -0.08 -0.04 0.00 0.00 0.00 174.94 175.33 2kaw s MET 37 N -1.41 3.50 -0.08 2.79 -1.94 0.55 -4.97 119.30 117.74 2kaw s MET 37 Ca 0.22 -0.61 -0.29 0.00 -1.71 0.00 0.00 55.69 53.30 2kaw s MET 37 Cb -0.13 -2.81 -0.05 0.00 2.01 0.00 0.00 34.83 33.84 2kaw s MET 37 CO 0.11 0.15 1.73 0.21 -0.01 0.00 0.00 175.02 177.22 2kaw s LYS 38 N 0.56 4.03 0.00 2.03 2.47 -1.26 -2.19 119.74 125.38 2kaw s LYS 38 Ca -0.05 2.15 0.00 0.00 -1.56 0.00 0.00 55.97 56.50 2kaw s LYS 38 Cb -0.15 -4.05 0.00 0.00 -1.46 0.00 0.00 37.83 32.17 2kaw s LYS 38 CO 0.03 -1.03 0.00 0.41 0.16 0.00 0.00 175.35 174.92 2kaw n GLY 39 N 4.40 1.46 3.93 5.54 0.00 -1.26 -5.12 105.19 114.15 2kaw n GLY 39 Ca 0.19 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.95 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 -1.66 1.68 0.27 -0.02 0.00 -0.93 -4.82 107.32 101.84 2kaw s GLY 40 Ca 0.00 -0.90 -0.01 0.00 0.00 0.00 0.00 44.72 43.81 2kaw s GLY 40 CO 0.00 -0.49 1.79 0.00 0.00 0.00 0.00 173.10 174.39 2kaw h ALA 41 N -0.61 1.15 -0.05 3.20 0.00 0.14 -2.80 119.26 120.30 2kaw h ALA 41 Ca -0.45 -0.24 -0.15 0.00 0.00 0.00 0.00 54.91 54.07 2kaw h ALA 41 Cb 1.31 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.89 2kaw h ALA 41 CO 0.61 0.55 -0.64 0.28 0.00 0.00 0.00 179.25 180.05 2kaw h VAL 42 N 0.74 1.41 0.00 0.00 2.07 -1.51 -2.75 116.25 116.21 2kaw h VAL 42 Ca 0.15 -2.09 0.00 0.00 0.82 0.00 0.00 66.70 65.58 2kaw h VAL 42 Cb 0.40 2.09 0.00 0.00 -1.52 0.00 0.00 31.29 32.26 2kaw h VAL 42 CO 0.01 0.61 0.00 0.00 0.02 0.00 0.00 177.57 178.22 2kaw n ALA 43 N -2.46 1.94 -0.20 1.67 0.00 -1.06 -1.42 120.51 118.98 2kaw n ALA 43 Ca -0.02 -0.08 0.07 0.00 0.00 0.00 0.00 53.44 53.41 2kaw n ALA 43 Cb 0.64 -1.27 0.19 0.00 0.00 0.00 0.00 19.45 19.01 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 -1.23 2.23 -0.01 0.00 0.00 -1.04 -4.69 120.51 115.77 2kaw n ALA 44 Ca 0.09 -1.16 -0.01 0.00 0.00 0.00 0.00 53.44 52.35 2kaw n ALA 44 Cb 0.12 -0.54 -0.00 0.00 0.00 0.00 0.00 19.45 19.02 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 0.77 0.46 0.00 0.00 -0.08 -0.51 -5.05 116.55 112.14 2kaw n ASP 45 Ca 0.14 0.07 0.00 0.00 -1.51 0.00 0.00 54.79 53.50 2kaw n ASP 45 Cb 0.47 -0.36 0.00 0.00 2.34 0.00 0.00 41.12 43.56 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 2.37 2.52 0.09 0.27 0.00 -1.20 -4.93 105.19 104.31 2kaw n GLY 46 Ca -0.02 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.89 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 2.26 0.14 -6.08 1.61 3.08 -1.97 -3.44 114.38 109.98 2kaw h ARG 47 Ca 0.00 -0.21 -0.57 0.00 0.07 0.00 0.00 59.98 59.27 2kaw h ARG 47 Cb 0.00 0.07 -0.05 0.00 0.08 0.00 0.00 29.97 30.07 2kaw h ARG 47 CO 0.00 1.06 -0.04 0.42 -1.07 0.00 0.00 179.97 180.34 2kaw s ILE 48 N -2.83 4.90 0.11 2.04 1.01 -1.26 -5.07 121.20 120.10 2kaw s ILE 48 Ca -0.02 1.19 -0.04 0.00 0.00 0.00 0.00 60.65 61.79 2kaw s ILE 48 Cb 0.09 -3.90 -0.03 0.00 0.01 0.00 0.00 42.46 38.63 2kaw s ILE 48 CO 0.84 0.45 0.10 -1.83 0.00 0.00 0.00 174.94 174.50 2kaw s GLU 49 N -0.37 0.88 0.05 2.79 -1.05 -1.26 -4.99 118.70 114.76 2kaw s GLU 49 Ca 0.30 -1.27 -0.34 0.00 -0.15 0.00 0.00 54.97 53.51 2kaw s GLU 49 Cb -0.18 0.27 -0.13 0.00 -0.44 0.00 0.00 34.13 33.65 2kaw s GLU 49 CO 0.17 -0.26 1.71 -2.30 0.95 0.00 0.00 175.26 175.53 2kaw n PRO 50 N -0.06 2.15 0.00 -4.83 -0.02 -1.26 -2.09 135.00 128.88 2kaw n PRO 50 Ca -0.09 0.78 0.00 0.00 -2.02 0.00 0.00 63.50 62.17 2kaw n PRO 50 Cb 0.63 -2.58 0.00 0.00 -0.02 0.00 0.00 33.50 31.52 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 3.84 1.78 3.78 -1.23 0.00 -0.25 -5.01 105.19 108.10 2kaw n GLY 51 Ca 0.19 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.85 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 -1.90 6.59 -0.11 1.61 1.01 -0.89 -4.74 116.67 118.24 2kaw s ASP 52 Ca 0.00 2.07 -0.04 0.00 0.71 0.00 0.00 52.55 55.30 2kaw s ASP 52 Cb 0.00 -2.59 -0.03 0.00 1.01 0.00 0.00 42.92 41.31 2kaw s ASP 52 CO 0.00 -0.61 0.03 -0.32 0.21 0.00 0.00 175.17 174.48 2kaw s MET 53 N -2.64 3.24 -0.26 8.23 -2.45 -0.82 -0.19 119.30 124.42 2kaw s MET 53 Ca 0.60 -0.36 -0.21 0.00 -1.25 0.00 0.00 55.69 54.47 2kaw s MET 53 Cb -0.22 -2.93 -0.01 0.00 1.25 0.00 0.00 34.83 32.91 2kaw s MET 53 CO 0.28 0.63 0.68 -0.51 1.05 0.00 0.00 175.02 177.15 2kaw s LEU 54 N -0.66 4.08 -0.04 4.11 1.43 -0.57 0.35 118.68 127.37 2kaw s LEU 54 Ca 0.11 0.74 -0.04 0.00 -1.03 0.00 0.00 54.13 53.91 2kaw s LEU 54 Cb -0.12 -2.94 -0.01 0.00 0.03 0.00 0.00 46.19 43.15 2kaw s LEU 54 CO 0.02 -0.43 -0.08 0.18 0.23 0.00 0.00 176.35 176.27 2kaw n LEU 55 N 5.83 0.48 -4.23 1.79 4.77 -0.18 -4.64 117.00 120.82 2kaw n LEU 55 Ca 0.01 0.16 -0.31 0.00 -0.03 0.00 0.00 56.01 55.84 2kaw n LEU 55 Cb 0.49 -0.57 -0.17 0.00 -2.33 0.00 0.00 43.42 40.84 2kaw n LEU 55 CO 0.45 -0.46 -0.55 -1.58 -1.33 0.00 0.00 177.39 173.92 2kaw s GLN 56 N -1.43 2.66 -0.35 3.23 0.74 -1.22 -0.28 119.66 122.99 2kaw s GLN 56 Ca -0.06 -0.85 0.02 0.00 0.05 0.00 0.00 55.36 54.52 2kaw s GLN 56 Cb 0.01 -2.14 0.11 0.00 1.10 0.00 0.00 33.01 32.09 2kaw s GLN 56 CO 0.09 0.27 0.10 0.08 -0.55 0.00 0.00 175.29 175.29 2kaw s VAL 57 N 0.10 1.64 -0.99 1.34 1.01 -0.08 -1.19 120.40 122.23 2kaw s VAL 57 Ca -0.10 -2.05 -0.05 0.00 0.00 0.00 0.00 61.98 59.78 2kaw s VAL 57 Cb -0.15 -2.21 -0.06 0.00 0.00 0.00 0.00 36.38 33.96 2kaw s VAL 57 CO 0.06 -0.68 0.87 0.59 0.00 0.00 0.00 175.10 175.94 2kaw n ASN 58 N 4.35 -6.71 0.00 3.32 4.13 -0.69 -3.45 115.26 116.21 2kaw n ASN 58 Ca 0.02 -0.61 0.00 0.00 1.68 0.00 0.00 54.58 55.67 2kaw n ASN 58 Cb 0.41 -5.13 0.00 0.00 -1.54 0.00 0.00 39.78 33.51 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 -3.01 0.00 -4.70 6.41 8.00 -1.26 -4.96 116.55 117.03 2kaw n ASP 59 Ca -0.06 0.00 -0.42 0.00 0.71 0.00 0.00 54.79 55.02 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 -0.03 3.59 -0.14 2.53 -7.23 -1.22 -5.00 120.40 112.90 2kaw s VAL 60 Ca 0.00 1.06 -0.11 0.00 -1.81 0.00 0.00 61.98 61.11 2kaw s VAL 60 Cb 0.00 -3.68 -0.05 0.00 0.56 0.00 0.00 36.38 33.21 2kaw s VAL 60 CO 0.00 0.03 0.23 0.21 -0.31 0.00 0.00 175.10 175.26 2kaw s ASN 61 N 1.60 6.42 0.00 4.85 2.47 -1.26 -0.90 114.94 128.12 2kaw s ASN 61 Ca 0.64 0.49 0.13 0.00 0.42 0.00 0.00 52.86 54.54 2kaw s ASN 61 Cb -0.33 -2.14 0.23 0.00 -1.45 0.00 0.00 41.25 37.55 2kaw s ASN 61 CO 0.28 0.22 1.10 0.49 -3.72 0.00 0.00 177.10 175.47 2kaw n PHE 62 N 2.97 0.27 -0.13 0.43 3.72 0.61 -4.55 117.46 120.78 2kaw n PHE 62 Ca -0.15 -0.25 0.00 0.00 -0.05 0.00 0.00 57.45 57.00 2kaw n PHE 62 Cb 0.53 -0.01 0.27 0.00 -0.94 0.00 0.00 39.48 39.33 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 2.43 0.82 -0.71 -1.08 5.08 -1.86 -2.57 114.58 116.70 2kaw h GLU 63 Ca 0.00 -0.09 -0.47 0.00 -1.00 0.00 0.00 59.36 57.80 2kaw h GLU 63 Cb 0.65 -0.17 -0.28 0.00 0.50 0.00 0.00 28.75 29.45 2kaw h GLU 63 CO 0.00 0.61 -0.02 -1.71 -1.00 0.00 0.00 179.01 176.89 2kaw n ASN 64 N -4.38 4.87 -4.21 1.42 5.15 -1.26 -4.98 115.26 111.86 2kaw n ASN 64 Ca 0.05 -3.77 -0.17 0.00 -0.60 0.00 0.00 54.58 50.09 2kaw n ASN 64 Cb 0.10 -0.65 -0.11 0.00 -0.53 0.00 0.00 39.78 38.59 2kaw n ASN 64 CO 0.00 0.00 0.00 -0.04 1.40 0.00 0.00 177.26 178.62 2kaw s MET 65 N -3.54 0.93 0.68 1.20 -1.94 -0.97 -5.14 119.30 110.52 2kaw s MET 65 Ca 0.53 -1.15 -0.14 0.00 -1.71 0.00 0.00 55.69 53.22 2kaw s MET 65 Cb 0.44 -0.78 0.01 0.00 2.01 0.00 0.00 34.83 36.51 2kaw s MET 65 CO 0.02 0.15 1.12 -1.12 -0.01 0.00 0.00 175.02 175.17 2kaw s SER 66 N -2.29 4.94 0.19 3.03 0.01 -1.26 -4.80 113.70 113.51 2kaw s SER 66 Ca 0.05 2.02 -0.13 0.00 1.31 0.00 0.00 55.95 59.21 2kaw s SER 66 Cb -0.05 -2.55 0.19 0.00 0.21 0.00 0.00 66.02 63.82 2kaw s SER 66 CO 0.02 -1.75 1.72 0.78 0.41 0.00 0.00 173.24 174.42 2kaw h ASN 67 N -0.13 0.04 0.19 2.44 2.35 -1.94 0.55 115.58 119.08 2kaw h ASN 67 Ca -0.46 0.08 -0.01 0.00 -0.55 0.00 0.00 56.30 55.36 2kaw h ASN 67 Cb 1.25 0.11 0.00 0.00 0.05 0.00 0.00 38.32 39.73 2kaw h ASN 67 CO 0.53 0.05 -0.10 0.44 -1.65 0.00 0.00 177.43 176.70 2kaw h ASP 68 N 0.26 -0.24 -0.93 5.81 5.19 -1.98 -2.16 116.42 122.37 2kaw h ASP 68 Ca 0.25 0.01 0.01 0.00 -0.62 0.00 0.00 57.03 56.68 2kaw h ASP 68 Cb 0.33 0.06 -0.05 0.00 0.18 0.00 0.00 39.33 39.85 2kaw h ASP 68 CO -0.31 -0.16 0.62 0.44 -3.12 0.00 0.00 179.24 176.70 2kaw h ASP 69 N -0.27 1.06 -0.30 6.45 3.32 -1.83 0.05 116.42 124.91 2kaw h ASP 69 Ca -0.02 -0.03 0.02 0.00 0.02 0.00 0.00 57.03 57.02 2kaw h ASP 69 Cb 0.21 -0.27 -0.03 0.00 0.22 0.00 0.00 39.33 39.47 2kaw h ASP 69 CO 0.04 0.77 0.15 0.00 -1.72 0.00 0.00 179.24 178.48 2kaw h ALA 70 N 1.42 0.37 -0.45 3.45 0.00 -0.65 -1.13 119.26 122.27 2kaw h ALA 70 Ca 0.34 0.01 -0.11 0.00 0.00 0.00 0.00 54.91 55.15 2kaw h ALA 70 Cb -0.14 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 17.59 2kaw h ALA 70 CO -0.07 -0.23 -0.16 0.28 0.00 0.00 0.00 179.25 179.06 2kaw h VAL 71 N 0.31 1.27 0.01 0.00 2.07 -0.90 -1.99 116.25 117.03 2kaw h VAL 71 Ca 0.13 -1.28 0.01 0.00 0.82 0.00 0.00 66.70 66.38 2kaw h VAL 71 Cb 0.04 1.09 -0.01 0.00 -1.52 0.00 0.00 31.29 30.89 2kaw h VAL 71 CO -0.09 0.44 -0.07 0.03 0.02 0.00 0.00 177.57 177.89 2kaw h ARG 72 N 0.76 -0.13 -0.60 1.57 3.08 -0.45 0.35 114.38 118.95 2kaw h ARG 72 Ca 0.11 0.01 -0.07 0.00 0.07 0.00 0.00 59.98 60.10 2kaw h ARG 72 Cb 0.68 0.03 -0.02 0.00 0.08 0.00 0.00 29.97 30.74 2kaw h ARG 72 CO 0.05 -0.09 0.10 0.28 -1.07 0.00 0.00 179.97 179.25 2kaw h VAL 73 N -0.13 1.26 -0.82 2.04 2.07 -1.20 -2.77 116.25 116.70 2kaw h VAL 73 Ca 0.02 -0.99 0.03 0.00 0.82 0.00 0.00 66.70 66.59 2kaw h VAL 73 Cb 0.16 0.73 -0.05 0.00 -1.52 0.00 0.00 31.29 30.61 2kaw h VAL 73 CO -0.07 0.37 0.52 0.25 0.02 0.00 0.00 177.57 178.66 2kaw h LEU 74 N 0.90 0.86 -1.27 2.57 5.85 -1.02 -1.72 115.31 121.48 2kaw h LEU 74 Ca 0.18 -0.00 0.04 0.00 0.84 0.00 0.00 57.88 58.94 2kaw h LEU 74 Cb 0.42 -0.19 -0.04 0.00 0.37 0.00 0.00 40.66 41.21 2kaw h LEU 74 CO 0.01 0.59 0.51 0.03 -0.34 0.00 0.00 178.44 179.24 2kaw h ARG 75 N 1.01 0.92 -0.35 1.25 3.08 -0.66 0.29 114.38 119.93 2kaw h ARG 75 Ca 0.33 -0.06 -0.11 0.00 0.07 0.00 0.00 59.98 60.21 2kaw h ARG 75 Cb 0.02 -0.21 -0.01 0.00 0.08 0.00 0.00 29.97 29.85 2kaw h ARG 75 CO -0.12 0.61 -0.25 0.93 -1.07 0.00 0.00 179.97 180.07 2kaw h GLU 76 N 0.95 0.70 -0.03 0.04 4.39 -1.16 -0.80 114.58 118.67 2kaw h GLU 76 Ca 0.31 -0.29 -0.22 0.00 0.34 0.00 0.00 59.36 59.50 2kaw h GLU 76 Cb 0.06 -0.03 0.02 0.00 -0.10 0.00 0.00 28.75 28.70 2kaw h GLU 76 CO -0.09 0.88 -0.86 0.82 -1.16 0.00 0.00 179.01 178.60 2kaw h ILE 77 N 0.61 1.32 -0.31 3.13 2.04 -0.82 -3.14 117.51 120.34 2kaw h ILE 77 Ca 0.08 -2.13 -0.04 0.00 1.00 0.00 0.00 64.86 63.77 2kaw h ILE 77 Cb 0.74 2.36 -0.02 0.00 -0.74 0.00 0.00 36.82 39.16 2kaw h ILE 77 CO 0.06 0.65 -0.00 0.58 0.00 0.00 0.00 178.15 179.44 2kaw h VAL 78 N 0.28 1.18 -0.55 1.67 2.07 -0.35 -1.71 116.25 118.85 2kaw h VAL 78 Ca -0.10 -0.73 -0.17 0.00 0.82 0.00 0.00 66.70 66.53 2kaw h VAL 78 Cb 1.52 0.96 -0.10 0.00 -1.52 0.00 0.00 31.29 32.15 2kaw h VAL 78 CO 0.17 0.25 0.21 -1.20 0.02 0.00 0.00 177.57 177.02 2kaw n SER 79 N -4.30 4.01 -4.72 0.57 7.64 -0.31 -4.90 113.62 111.61 2kaw n SER 79 Ca 0.01 -2.89 -0.32 0.00 1.01 0.00 0.00 58.87 56.68 2kaw n SER 79 Cb 0.23 -0.68 -0.08 0.00 -1.01 0.00 0.00 64.21 62.67 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 -2.31 2.15 -0.16 1.43 2.00 -0.64 -5.01 119.66 117.12 2kaw s GLN 80 Ca 0.40 -2.36 -0.03 0.00 -2.00 0.00 0.00 55.36 51.37 2kaw s GLN 80 Cb 0.32 -1.51 -0.02 0.00 0.80 0.00 0.00 33.01 32.59 2kaw s GLN 80 CO 0.10 -0.32 -0.06 0.95 -0.50 0.00 0.00 175.29 175.45 2kaw s THR 81 N -2.87 3.53 0.00 -0.34 -4.23 -1.26 -5.02 115.64 105.44 2kaw s THR 81 Ca 0.10 -0.48 0.00 0.00 -1.18 0.00 0.00 61.69 60.13 2kaw s THR 81 Cb 0.03 -2.54 0.00 0.00 1.34 0.00 0.00 72.50 71.33 2kaw s THR 81 CO 0.05 0.48 0.00 0.61 -0.54 0.00 0.00 174.62 175.23 2kaw n GLY 82 N 3.84 4.15 3.69 3.99 0.00 -1.26 -5.09 105.19 114.50 2kaw n GLY 82 Ca -0.18 -1.31 -0.42 0.00 0.00 0.00 0.00 46.02 44.11 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 -2.85 4.19 -0.26 1.61 0.04 -1.26 -4.67 135.00 131.80 2kaw s PRO 83 Ca 0.00 2.36 -0.11 0.00 0.04 0.00 0.00 61.00 63.29 2kaw s PRO 83 Cb 0.00 -3.61 -0.05 0.00 0.04 0.00 0.00 34.50 30.88 2kaw s PRO 83 CO 0.00 -0.75 0.17 0.42 0.04 0.00 0.00 177.00 176.88 2kaw s ILE 84 N 2.68 5.30 -0.24 0.56 1.01 -1.23 -4.93 121.20 124.34 2kaw s ILE 84 Ca 0.75 0.16 -0.10 0.00 0.00 0.00 0.00 60.65 61.46 2kaw s ILE 84 Cb -0.40 -3.49 -0.05 0.00 0.01 0.00 0.00 42.46 38.53 2kaw s ILE 84 CO 0.33 0.31 0.14 -0.44 0.00 0.00 0.00 174.94 175.28 2kaw s SER 85 N 1.35 5.88 -0.25 3.58 0.01 -1.26 -0.57 113.70 122.43 2kaw s SER 85 Ca 0.07 0.03 -0.06 0.00 1.31 0.00 0.00 55.95 57.31 2kaw s SER 85 Cb -0.15 -2.06 -0.01 0.00 0.21 0.00 0.00 66.02 64.01 2kaw s SER 85 CO 0.07 0.04 0.02 -0.76 0.41 0.00 0.00 173.24 173.02 2kaw s LEU 86 N 1.21 3.28 -0.67 2.44 1.43 0.12 -1.71 118.68 124.78 2kaw s LEU 86 Ca 0.07 -0.41 -0.15 0.00 -1.03 0.00 0.00 54.13 52.61 2kaw s LEU 86 Cb -0.14 -1.83 0.17 0.00 0.03 0.00 0.00 46.19 44.42 2kaw s LEU 86 CO 0.05 -0.06 0.62 -0.89 0.23 0.00 0.00 176.35 176.30 2kaw s THR 87 N 1.53 5.37 0.05 5.49 2.01 -0.33 -0.96 115.64 128.79 2kaw s THR 87 Ca 0.05 -1.97 -0.07 0.00 0.31 0.00 0.00 61.69 60.01 2kaw s THR 87 Cb -0.15 -4.38 -0.05 0.00 0.01 0.00 0.00 72.50 67.92 2kaw s THR 87 CO 0.00 -0.94 0.32 0.68 -0.69 0.00 0.00 174.62 173.99 2kaw s VAL 88 N 0.91 5.23 -0.28 3.82 -7.23 0.42 -1.01 120.40 122.26 2kaw s VAL 88 Ca 0.10 0.20 -0.07 0.00 -1.81 0.00 0.00 61.98 60.41 2kaw s VAL 88 Cb -0.21 -3.60 0.00 0.00 0.56 0.00 0.00 36.38 33.14 2kaw s VAL 88 CO -0.03 0.29 0.07 0.00 -0.31 0.00 0.00 175.10 175.11 2kaw s ALA 89 N -1.39 3.05 -1.73 1.32 0.00 0.15 -0.30 121.76 122.88 2kaw s ALA 89 Ca 0.31 -1.39 0.14 0.00 0.00 0.00 0.00 51.96 51.02 2kaw s ALA 89 Cb -0.13 -2.10 0.11 0.00 0.00 0.00 0.00 23.12 21.00 2kaw s ALA 89 CO 0.18 -0.82 0.94 1.63 0.00 0.00 0.00 175.76 177.69