#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 5.16 -0.06 -1.44 1.01 -1.26 -0.08 121.20 124.53 2kaw s ILE 2 Ca 0.00 0.06 0.03 0.00 0.00 0.00 0.00 60.65 60.74 2kaw s ILE 2 Cb 0.00 -3.83 -0.02 0.00 0.01 0.00 0.00 42.46 38.62 2kaw s ILE 2 CO 0.00 -0.10 -0.15 -0.63 0.00 0.00 0.00 174.94 174.06 2kaw s ILE 3 N 2.03 2.96 -0.28 2.92 1.01 0.03 -4.95 121.20 124.93 2kaw s ILE 3 Ca 0.12 -0.75 -0.02 0.00 0.00 0.00 0.00 60.65 60.00 2kaw s ILE 3 Cb -0.16 -2.17 0.03 0.00 0.01 0.00 0.00 42.46 40.17 2kaw s ILE 3 CO 0.12 0.58 -0.02 -0.89 0.00 0.00 0.00 174.94 174.73 2kaw s THR 4 N -0.48 3.06 -0.01 2.92 2.01 -1.26 -0.78 115.64 121.10 2kaw s THR 4 Ca 0.06 -1.14 0.04 0.00 0.31 0.00 0.00 61.69 60.96 2kaw s THR 4 Cb -0.12 -2.64 -0.03 0.00 0.01 0.00 0.00 72.50 69.72 2kaw s THR 4 CO 0.02 0.05 -0.12 0.68 -0.69 0.00 0.00 174.62 174.56 2kaw s VAL 5 N 1.32 3.27 -0.21 3.82 -7.23 -0.08 -4.93 120.40 116.35 2kaw s VAL 5 Ca -0.02 -0.85 -0.06 0.00 -1.81 0.00 0.00 61.98 59.24 2kaw s VAL 5 Cb -0.18 -2.37 -0.03 0.00 0.56 0.00 0.00 36.38 34.37 2kaw s VAL 5 CO -0.02 0.44 0.03 0.28 -0.31 0.00 0.00 175.10 175.52 2kaw s THR 6 N -0.90 4.12 0.04 5.32 -1.32 -1.26 0.23 115.64 121.87 2kaw s THR 6 Ca 0.15 -0.25 -0.13 0.00 -1.21 0.00 0.00 61.69 60.25 2kaw s THR 6 Cb -0.11 -2.88 -0.06 0.00 -1.51 0.00 0.00 72.50 67.94 2kaw s THR 6 CO 0.05 0.40 0.42 -0.76 -2.21 0.00 0.00 174.62 172.52 2kaw s LEU 7 N 1.15 4.42 -0.40 9.08 1.43 0.41 -4.98 118.68 129.79 2kaw s LEU 7 Ca 0.03 0.92 -0.20 0.00 -1.03 0.00 0.00 54.13 53.85 2kaw s LEU 7 Cb -0.14 -2.79 0.01 0.00 0.03 0.00 0.00 46.19 43.30 2kaw s LEU 7 CO 0.02 0.25 0.62 0.21 0.23 0.00 0.00 176.35 177.68 2kaw s ASN 8 N -1.38 6.35 -0.06 2.29 3.84 -1.26 -3.22 114.94 121.51 2kaw s ASN 8 Ca 0.28 -0.15 0.15 0.00 0.21 0.00 0.00 52.86 53.36 2kaw s ASN 8 Cb -0.16 -2.31 0.54 0.00 -0.55 0.00 0.00 41.25 38.77 2kaw s ASN 8 CO 0.16 -0.67 1.43 0.23 -2.79 0.00 0.00 177.10 175.45 2kaw n MET 9 N 6.10 2.83 -0.06 0.43 2.81 -1.26 -3.35 117.12 124.62 2kaw n MET 9 Ca -0.02 -2.15 -0.20 0.00 -1.81 0.00 0.00 57.70 53.52 2kaw n MET 9 Cb 0.48 -1.64 -0.13 0.00 -0.71 0.00 0.00 33.22 31.22 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 3.22 0.07 -0.00 0.03 4.39 -1.91 -3.37 114.58 117.02 2kaw h GLU 10 Ca 0.00 -0.12 0.00 0.00 0.34 0.00 0.00 59.36 59.58 2kaw h GLU 10 Cb 1.03 0.04 0.00 0.00 -0.10 0.00 0.00 28.75 29.73 2kaw h GLU 10 CO 0.12 1.06 -0.57 -2.13 -1.16 0.00 0.00 179.01 176.32 2kaw n ARG 11 N -4.32 0.00 -4.33 2.33 0.63 -1.26 -4.90 116.66 104.81 2kaw n ARG 11 Ca -0.25 -0.00 -0.26 0.00 -0.92 0.00 0.00 57.85 56.42 2kaw n ARG 11 Cb 0.70 -1.50 -0.10 0.00 0.45 0.00 0.00 32.46 32.01 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 -3.00 2.54 0.00 -0.14 3.76 -1.21 -5.02 115.29 112.21 2kaw s HIS 12 Ca 0.11 -0.26 0.00 0.00 -0.15 0.00 0.00 55.06 54.76 2kaw s HIS 12 Cb 0.17 -1.22 0.00 0.00 1.11 0.00 0.00 32.58 32.64 2kaw s HIS 12 CO 0.72 0.54 0.00 0.72 -0.85 0.00 0.00 174.74 175.87 2kaw n HIS 13 N -0.04 0.00 -3.84 1.40 8.25 -1.26 -4.59 115.22 115.13 2kaw n HIS 13 Ca -0.10 0.00 -0.09 0.00 -0.26 0.00 0.00 57.72 57.27 2kaw n HIS 13 Cb 0.56 0.00 -0.07 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 -1.10 0.14 -0.03 4.41 -0.71 -1.26 -5.06 117.98 114.36 2kaw s PHE 14 Ca 0.00 -0.55 0.04 0.00 -1.04 0.00 0.00 56.93 55.39 2kaw s PHE 14 Cb 0.00 -0.02 -0.25 0.00 -1.21 0.00 0.00 43.02 41.55 2kaw s PHE 14 CO 0.00 -0.59 0.71 -0.07 -1.34 0.00 0.00 175.22 173.93 2kaw h LEU 15 N 2.67 0.18 -2.09 -1.99 3.38 -1.93 0.61 115.31 116.15 2kaw h LEU 15 Ca -0.34 -0.33 -0.12 0.00 0.09 0.00 0.00 57.88 57.18 2kaw h LEU 15 Cb 1.21 -0.06 0.07 0.00 0.09 0.00 0.00 40.66 41.97 2kaw h LEU 15 CO 0.54 1.29 -0.31 0.61 0.09 0.00 0.00 178.44 180.66 2kaw n GLY 16 N 1.65 0.12 2.99 0.83 0.00 -1.26 -1.45 105.19 108.07 2kaw n GLY 16 Ca -0.18 -0.17 -0.05 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 -0.74 -0.07 -0.61 -4.36 -1.26 0.21 121.20 111.23 2kaw s ILE 17 Ca 0.04 -0.10 -0.30 0.00 -0.26 0.00 0.00 60.65 60.04 2kaw s ILE 17 Cb -0.01 -0.91 -0.03 0.00 1.25 0.00 0.00 42.46 42.76 2kaw s ILE 17 CO 0.29 -0.12 1.27 -0.94 0.24 0.00 0.00 174.94 175.68 2kaw s SER 18 N 2.64 6.97 -0.15 4.36 1.04 -0.28 -4.90 113.70 123.38 2kaw s SER 18 Ca 0.14 1.86 -0.28 0.00 0.48 0.00 0.00 55.95 58.15 2kaw s SER 18 Cb -0.14 -2.55 -0.01 0.00 0.10 0.00 0.00 66.02 63.42 2kaw s SER 18 CO -0.21 -0.67 0.94 -0.63 0.98 0.00 0.00 173.24 173.65 2kaw s ILE 19 N 2.65 4.81 -0.24 -1.02 -1.09 -1.26 0.22 121.20 125.27 2kaw s ILE 19 Ca 0.58 1.87 -0.01 0.00 -2.23 0.00 0.00 60.65 60.86 2kaw s ILE 19 Cb -0.26 -4.24 0.03 0.00 -1.58 0.00 0.00 42.46 36.41 2kaw s ILE 19 CO 0.21 -0.01 -0.09 -0.69 -1.23 0.00 0.00 174.94 173.13 2kaw s VAL 20 N 2.25 2.71 -0.02 2.92 1.01 0.58 -4.88 120.40 124.96 2kaw s VAL 20 Ca 0.44 -1.04 -0.23 0.00 0.00 0.00 0.00 61.98 61.15 2kaw s VAL 20 Cb -0.17 -2.35 -0.05 0.00 0.00 0.00 0.00 36.38 33.82 2kaw s VAL 20 CO 0.14 0.25 0.69 -0.83 0.00 0.00 0.00 175.10 175.34 2kaw s GLY 21 N 1.31 2.66 -0.35 4.51 0.00 -1.26 0.30 107.32 114.49 2kaw s GLY 21 Ca 0.00 0.14 -0.20 0.00 0.00 0.00 0.00 44.72 44.67 2kaw s GLY 21 CO -0.06 1.04 0.60 1.62 0.00 0.00 0.00 173.10 176.31 2kaw s GLN 22 N 0.32 3.69 0.29 2.90 0.74 0.07 -4.97 119.66 122.71 2kaw s GLN 22 Ca 0.36 0.03 0.06 0.00 0.05 0.00 0.00 55.36 55.86 2kaw s GLN 22 Cb -0.19 -3.80 -0.02 0.00 1.10 0.00 0.00 33.01 30.11 2kaw s GLN 22 CO 0.19 -0.69 0.40 -1.12 -0.55 0.00 0.00 175.29 173.52 2kaw s SER 23 N 1.76 6.08 0.00 6.67 0.01 -1.26 -3.00 113.70 123.96 2kaw s SER 23 Ca 0.23 -0.08 0.00 0.00 1.31 0.00 0.00 55.95 57.40 2kaw s SER 23 Cb -0.15 -1.52 0.00 0.00 0.21 0.00 0.00 66.02 64.56 2kaw s SER 23 CO 0.14 -0.24 0.00 -3.20 0.41 0.00 0.00 173.24 170.35 2kaw n ASN 24 N -1.50 0.00 0.04 2.44 5.15 -1.26 -4.95 115.26 115.18 2kaw n ASN 24 Ca -0.05 0.00 -0.13 0.00 -0.60 0.00 0.00 54.58 53.81 2kaw n ASN 24 Cb 0.58 0.00 -0.09 0.00 -0.53 0.00 0.00 39.78 39.74 2kaw n ASN 24 CO 0.00 0.00 0.00 0.44 1.40 0.00 0.00 177.26 179.10 2kaw h ASP 25 N 0.00 -0.10 0.13 1.20 3.32 -2.01 -3.36 116.42 115.59 2kaw h ASP 25 Ca 0.00 -0.36 -0.01 0.00 0.02 0.00 0.00 57.03 56.69 2kaw h ASP 25 Cb 0.00 0.02 0.00 0.00 0.22 0.00 0.00 39.33 39.58 2kaw h ASP 25 CO 0.00 0.32 -0.06 0.03 -1.72 0.00 0.00 179.24 177.81 2kaw h ARG 26 N -0.54 -0.16 0.00 3.56 2.47 -2.01 -3.49 114.38 114.21 2kaw h ARG 26 Ca -0.01 0.01 0.00 0.00 -1.26 0.00 0.00 59.98 58.72 2kaw h ARG 26 Cb 0.45 0.04 0.00 0.00 -1.65 0.00 0.00 29.97 28.81 2kaw h ARG 26 CO 0.02 -0.11 0.00 0.41 0.56 0.00 0.00 179.97 180.85 2kaw n GLY 27 N 1.32 1.26 2.75 0.04 0.00 -1.26 -5.04 105.19 104.26 2kaw n GLY 27 Ca -0.02 0.00 -0.41 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 4.28 -0.04 1.61 5.75 -1.26 -4.46 116.55 122.43 2kaw n ASP 28 Ca 0.00 -2.74 -0.15 0.00 -0.01 0.00 0.00 54.79 51.89 2kaw n ASP 28 Cb 0.00 -1.50 -0.14 0.00 -1.03 0.00 0.00 41.12 38.45 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 4.11 -0.73 0.00 6.12 0.00 -1.16 -5.06 105.19 108.46 2kaw n GLY 29 Ca 0.55 -0.20 0.00 0.00 0.00 0.00 0.00 46.02 46.37 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 1.87 0.99 3.79 -0.02 0.00 -1.24 -4.72 105.19 105.85 2kaw n GLY 30 Ca -0.30 -1.81 -0.37 0.00 0.00 0.00 0.00 46.02 43.55 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 -2.80 5.34 0.22 -0.61 -4.36 -1.26 -0.75 121.20 116.98 2kaw s ILE 31 Ca 0.00 0.42 0.11 0.00 -0.26 0.00 0.00 60.65 60.92 2kaw s ILE 31 Cb 0.00 -3.54 -0.05 0.00 1.25 0.00 0.00 42.46 40.12 2kaw s ILE 31 CO 0.00 0.50 -0.21 -0.31 0.24 0.00 0.00 174.94 175.16 2kaw s TYR 32 N -0.24 2.17 -0.33 1.37 1.51 0.15 -1.47 117.35 120.50 2kaw s TYR 32 Ca 0.15 -0.38 -0.29 0.00 -1.01 0.00 0.00 57.07 55.54 2kaw s TYR 32 Cb -0.13 -1.03 0.00 0.00 -0.11 0.00 0.00 41.96 40.70 2kaw s TYR 32 CO 0.04 0.53 1.40 0.42 -1.11 0.00 0.00 175.55 176.83 2kaw s ILE 33 N -2.10 3.97 -0.00 2.71 -1.09 0.13 -0.31 121.20 124.51 2kaw s ILE 33 Ca 0.23 1.06 -0.00 0.00 -2.23 0.00 0.00 60.65 59.71 2kaw s ILE 33 Cb -0.06 -4.10 -0.00 0.00 -1.58 0.00 0.00 42.46 36.71 2kaw s ILE 33 CO 0.11 -0.56 0.10 1.23 -1.23 0.00 0.00 174.94 174.59 2kaw h GLY 34 N 11.57 -0.00 -5.29 6.18 0.00 -0.57 0.26 103.07 115.21 2kaw h GLY 34 Ca -0.28 0.00 -0.24 0.00 0.00 0.00 0.00 47.33 46.81 2kaw h GLY 34 CO 1.05 -0.00 -0.72 -1.35 0.00 0.00 0.00 176.54 175.51 2kaw s SER 35 N -2.96 0.28 -0.11 0.19 1.04 -1.24 -4.59 113.70 106.31 2kaw s SER 35 Ca -0.00 -0.20 -0.15 0.00 0.48 0.00 0.00 55.95 56.08 2kaw s SER 35 Cb 0.00 0.01 -0.05 0.00 0.10 0.00 0.00 66.02 66.09 2kaw s SER 35 CO 0.00 -0.08 0.38 -0.63 0.98 0.00 0.00 173.24 173.89 2kaw s ILE 36 N -0.52 5.21 -0.22 -1.02 1.01 -1.26 -1.13 121.20 123.28 2kaw s ILE 36 Ca -0.04 0.74 -0.07 0.00 0.00 0.00 0.00 60.65 61.28 2kaw s ILE 36 Cb -0.04 -3.71 -0.03 0.00 0.01 0.00 0.00 42.46 38.69 2kaw s ILE 36 CO -0.00 0.41 0.06 -0.04 0.00 0.00 0.00 174.94 175.37 2kaw s MET 37 N 0.16 3.75 0.17 2.79 -1.94 0.13 -4.95 119.30 119.42 2kaw s MET 37 Ca 0.21 -0.45 -0.32 0.00 -1.71 0.00 0.00 55.69 53.43 2kaw s MET 37 Cb -0.14 -3.25 -0.11 0.00 2.01 0.00 0.00 34.83 33.34 2kaw s MET 37 CO 0.08 -0.01 1.71 0.21 -0.01 0.00 0.00 175.02 176.99 2kaw s LYS 38 N 1.13 4.15 0.00 2.03 2.47 -1.26 -2.31 119.74 125.95 2kaw s LYS 38 Ca 0.04 2.54 0.00 0.00 -1.56 0.00 0.00 55.97 56.99 2kaw s LYS 38 Cb -0.14 -3.22 0.00 0.00 -1.46 0.00 0.00 37.83 33.01 2kaw s LYS 38 CO 0.03 -0.74 0.00 0.41 0.16 0.00 0.00 175.35 175.21 2kaw n GLY 39 N 3.98 1.95 3.90 5.54 0.00 -1.26 -5.07 105.19 114.23 2kaw n GLY 39 Ca 0.16 0.00 -0.28 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 -2.16 1.62 0.37 -0.02 0.00 -0.98 -4.82 107.32 101.34 2kaw s GLY 40 Ca 0.00 -0.59 0.05 0.00 0.00 0.00 0.00 44.72 44.17 2kaw s GLY 40 CO 0.00 -0.24 2.00 0.00 0.00 0.00 0.00 173.10 174.86 2kaw h ALA 41 N -0.51 1.58 -0.09 3.20 0.00 -0.35 -2.24 119.26 120.85 2kaw h ALA 41 Ca -0.45 -0.07 -0.14 0.00 0.00 0.00 0.00 54.91 54.24 2kaw h ALA 41 Cb 1.27 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.86 2kaw h ALA 41 CO 0.62 0.36 -0.56 0.28 0.00 0.00 0.00 179.25 179.95 2kaw h VAL 42 N 0.64 1.37 0.00 0.00 2.07 -1.52 -2.75 116.25 116.06 2kaw h VAL 42 Ca 0.17 -1.88 0.00 0.00 0.82 0.00 0.00 66.70 65.80 2kaw h VAL 42 Cb 0.02 1.92 0.00 0.00 -1.52 0.00 0.00 31.29 31.71 2kaw h VAL 42 CO -0.03 0.56 0.00 0.00 0.02 0.00 0.00 177.57 178.12 2kaw h ALA 43 N 1.21 1.00 0.00 1.67 0.00 -1.56 -1.33 119.26 120.25 2kaw h ALA 43 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2kaw h ALA 43 Cb 1.05 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.84 2kaw h ALA 43 CO 0.09 0.00 -0.32 0.00 0.00 0.00 0.00 179.25 179.01 2kaw n ALA 44 N -2.07 2.95 -1.12 0.00 0.00 -1.04 -4.54 120.51 114.70 2kaw n ALA 44 Ca -0.00 -0.23 0.00 0.00 0.00 0.00 0.00 53.44 53.21 2kaw n ALA 44 Cb 0.24 -1.27 0.00 0.00 0.00 0.00 0.00 19.45 18.42 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 -1.67 0.00 0.00 0.00 2.03 -0.52 -5.05 116.55 111.34 2kaw n ASP 45 Ca 0.06 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.37 2kaw n ASP 45 Cb 0.36 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.76 2kaw n ASP 45 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2kaw n GLY 46 N 2.57 1.60 0.20 0.27 0.00 -1.11 -4.96 105.19 103.76 2kaw n GLY 46 Ca 0.00 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.10 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 0.68 0.00 -5.87 1.61 3.08 -1.97 -3.43 114.38 108.49 2kaw h ARG 47 Ca 0.00 0.00 -0.63 0.00 0.07 0.00 0.00 59.98 59.42 2kaw h ARG 47 Cb 0.00 0.00 -0.06 0.00 0.08 0.00 0.00 29.97 29.99 2kaw h ARG 47 CO 0.00 0.29 -0.31 0.42 -1.07 0.00 0.00 179.97 179.31 2kaw s ILE 48 N -3.48 5.21 0.14 2.04 1.01 -1.26 -5.09 121.20 119.77 2kaw s ILE 48 Ca 0.01 0.60 -0.06 0.00 0.00 0.00 0.00 60.65 61.21 2kaw s ILE 48 Cb 0.10 -3.59 -0.02 0.00 0.01 0.00 0.00 42.46 38.95 2kaw s ILE 48 CO 0.67 0.59 0.18 -1.83 0.00 0.00 0.00 174.94 174.55 2kaw s GLU 49 N -1.05 1.01 -0.00 2.79 -1.05 -1.26 -5.02 118.70 114.11 2kaw s GLU 49 Ca 0.20 -1.24 -0.33 0.00 -0.15 0.00 0.00 54.97 53.45 2kaw s GLU 49 Cb -0.15 0.32 -0.11 0.00 -0.44 0.00 0.00 34.13 33.75 2kaw s GLU 49 CO 0.10 -0.33 1.86 -2.30 0.95 0.00 0.00 175.26 175.54 2kaw n PRO 50 N -0.13 2.42 0.00 -4.83 -0.02 -1.26 -1.92 135.00 129.26 2kaw n PRO 50 Ca -0.08 0.88 0.00 0.00 -2.02 0.00 0.00 63.50 62.28 2kaw n PRO 50 Cb 0.63 -2.75 0.00 0.00 -0.02 0.00 0.00 33.50 31.36 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 4.31 2.24 3.75 -1.23 0.00 0.08 -5.00 105.19 109.34 2kaw n GLY 51 Ca 0.21 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.82 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 -1.98 6.78 -0.10 1.61 1.01 -0.81 -4.67 116.67 118.51 2kaw s ASP 52 Ca 0.00 2.55 -0.14 0.00 0.71 0.00 0.00 52.55 55.67 2kaw s ASP 52 Cb 0.00 -2.62 -0.05 0.00 1.01 0.00 0.00 42.92 41.26 2kaw s ASP 52 CO 0.00 -0.59 0.34 -0.32 0.21 0.00 0.00 175.17 174.81 2kaw s MET 53 N -0.51 4.08 -0.26 8.23 -2.45 -0.98 0.17 119.30 127.58 2kaw s MET 53 Ca 0.56 0.22 -0.21 0.00 -1.25 0.00 0.00 55.69 55.01 2kaw s MET 53 Cb -0.39 -3.34 -0.02 0.00 1.25 0.00 0.00 34.83 32.33 2kaw s MET 53 CO 0.43 0.42 0.66 -0.51 1.05 0.00 0.00 175.02 177.07 2kaw s LEU 54 N -0.13 4.07 0.00 4.11 1.43 -0.54 0.10 118.68 127.72 2kaw s LEU 54 Ca 0.20 0.73 0.00 0.00 -1.03 0.00 0.00 54.13 54.02 2kaw s LEU 54 Cb -0.14 -2.90 0.00 0.00 0.03 0.00 0.00 46.19 43.18 2kaw s LEU 54 CO 0.08 -0.41 0.00 0.18 0.23 0.00 0.00 176.35 176.43 2kaw n LEU 55 N 5.78 0.00 -4.38 1.79 4.77 -0.06 -4.58 117.00 120.32 2kaw n LEU 55 Ca 0.00 0.00 -0.33 0.00 -0.03 0.00 0.00 56.01 55.66 2kaw n LEU 55 Cb 0.49 -0.48 -0.14 0.00 -2.33 0.00 0.00 43.42 40.95 2kaw n LEU 55 CO 0.44 -0.49 -0.46 -1.58 -1.33 0.00 0.00 177.39 173.97 2kaw s GLN 56 N -0.98 3.18 -0.46 3.23 0.74 -1.22 -0.25 119.66 123.90 2kaw s GLN 56 Ca 0.00 -0.70 0.03 0.00 0.05 0.00 0.00 55.36 54.74 2kaw s GLN 56 Cb 0.00 -2.56 0.13 0.00 1.10 0.00 0.00 33.01 31.68 2kaw s GLN 56 CO 0.00 0.30 0.23 0.08 -0.55 0.00 0.00 175.29 175.34 2kaw s VAL 57 N 0.12 1.95 -0.44 1.34 1.01 -0.02 -0.69 120.40 123.68 2kaw s VAL 57 Ca -0.07 -2.81 -0.07 0.00 0.00 0.00 0.00 61.98 59.03 2kaw s VAL 57 Cb -0.15 -2.37 0.01 0.00 0.00 0.00 0.00 36.38 33.87 2kaw s VAL 57 CO 0.05 -0.82 0.50 0.59 0.00 0.00 0.00 175.10 175.42 2kaw n ASN 58 N 3.48 -6.58 0.00 3.32 4.13 -0.67 -3.88 115.26 115.07 2kaw n ASN 58 Ca 0.06 0.22 0.00 0.00 1.68 0.00 0.00 54.58 56.54 2kaw n ASN 58 Cb 0.34 -4.39 0.00 0.00 -1.54 0.00 0.00 39.78 34.19 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 -0.88 0.00 -4.72 6.41 8.00 -1.26 -4.91 116.55 119.19 2kaw n ASP 59 Ca 0.05 0.00 -0.42 0.00 0.71 0.00 0.00 54.79 55.13 2kaw n ASP 59 Cb 0.42 0.00 -0.03 0.00 -0.02 0.00 0.00 41.12 41.49 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 3.42 -0.10 2.53 -7.23 -1.25 -5.02 120.40 112.75 2kaw s VAL 60 Ca 0.00 1.02 -0.02 0.00 -1.81 0.00 0.00 61.98 61.17 2kaw s VAL 60 Cb 0.00 -3.66 -0.03 0.00 0.56 0.00 0.00 36.38 33.25 2kaw s VAL 60 CO 0.00 0.08 -0.00 0.21 -0.31 0.00 0.00 175.10 175.08 2kaw s ASN 61 N 1.07 5.19 -0.00 4.85 3.84 -1.26 -0.84 114.94 127.79 2kaw s ASN 61 Ca 0.63 0.10 0.10 0.00 0.21 0.00 0.00 52.86 53.91 2kaw s ASN 61 Cb -0.36 -1.53 0.29 0.00 -0.55 0.00 0.00 41.25 39.11 2kaw s ASN 61 CO 0.30 0.34 1.24 0.49 -2.79 0.00 0.00 177.10 176.69 2kaw n PHE 62 N 2.40 0.45 -0.24 0.43 3.72 0.66 -4.64 117.46 120.23 2kaw n PHE 62 Ca -0.18 -0.50 0.08 0.00 -0.05 0.00 0.00 57.45 56.80 2kaw n PHE 62 Cb 0.53 -0.03 0.34 0.00 -0.94 0.00 0.00 39.48 39.39 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 1.92 0.75 -0.28 -1.08 5.08 -1.87 -1.72 114.58 117.38 2kaw h GLU 63 Ca 0.00 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.31 2kaw h GLU 63 Cb 0.73 -0.17 0.00 0.00 0.50 0.00 0.00 28.75 29.81 2kaw h GLU 63 CO 0.00 0.50 0.00 0.09 -1.00 0.00 0.00 179.01 178.60 2kaw n ASN 64 N -4.52 3.96 -4.59 1.42 3.02 -1.26 -4.99 115.26 108.30 2kaw n ASN 64 Ca 0.14 -2.98 -0.27 0.00 -0.03 0.00 0.00 54.58 51.44 2kaw n ASN 64 Cb 0.33 -0.54 -0.09 0.00 -0.61 0.00 0.00 39.78 38.87 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 -2.76 2.14 0.68 3.52 -1.94 -0.65 -5.11 119.30 115.18 2kaw s MET 65 Ca 0.42 -1.20 -0.16 0.00 -1.71 0.00 0.00 55.69 53.04 2kaw s MET 65 Cb 0.34 -2.22 0.01 0.00 2.01 0.00 0.00 34.83 34.97 2kaw s MET 65 CO 0.10 0.45 1.20 -1.12 -0.01 0.00 0.00 175.02 175.63 2kaw s SER 66 N -2.77 4.62 0.20 3.03 0.01 -1.26 -4.77 113.70 112.75 2kaw s SER 66 Ca 0.25 2.34 -0.11 0.00 1.31 0.00 0.00 55.95 59.74 2kaw s SER 66 Cb -0.09 -2.59 0.23 0.00 0.21 0.00 0.00 66.02 63.78 2kaw s SER 66 CO 0.16 -1.98 1.74 0.78 0.41 0.00 0.00 173.24 174.35 2kaw h ASN 67 N 0.13 0.16 -0.24 2.44 2.35 -1.93 0.14 115.58 118.63 2kaw h ASN 67 Ca -0.49 0.08 -0.01 0.00 -0.55 0.00 0.00 56.30 55.33 2kaw h ASN 67 Cb 1.29 0.07 -0.01 0.00 0.05 0.00 0.00 38.32 39.72 2kaw h ASN 67 CO 0.52 0.11 0.12 0.44 -1.65 0.00 0.00 177.43 176.97 2kaw h ASP 68 N 0.35 0.31 -0.78 5.81 3.32 -1.98 -2.32 116.42 121.14 2kaw h ASP 68 Ca 0.28 -0.11 -0.01 0.00 0.02 0.00 0.00 57.03 57.21 2kaw h ASP 68 Cb 0.34 -0.08 -0.04 0.00 0.22 0.00 0.00 39.33 39.77 2kaw h ASP 68 CO -0.30 0.33 0.47 0.44 -1.72 0.00 0.00 179.24 178.47 2kaw h ASP 69 N 0.27 0.95 -0.22 6.45 3.32 -1.74 0.15 116.42 125.59 2kaw h ASP 69 Ca 0.09 -0.06 0.01 0.00 0.02 0.00 0.00 57.03 57.09 2kaw h ASP 69 Cb 0.10 -0.24 -0.02 0.00 0.22 0.00 0.00 39.33 39.39 2kaw h ASP 69 CO -0.01 0.73 0.13 0.00 -1.72 0.00 0.00 179.24 178.37 2kaw h ALA 70 N 1.43 0.27 -0.33 3.45 0.00 -0.44 -1.19 119.26 122.45 2kaw h ALA 70 Ca 0.28 -0.00 -0.13 0.00 0.00 0.00 0.00 54.91 55.06 2kaw h ALA 70 Cb -0.04 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 2kaw h ALA 70 CO -0.05 -0.28 -0.32 0.28 0.00 0.00 0.00 179.25 178.88 2kaw h VAL 71 N 0.26 1.28 0.27 0.00 2.07 -0.88 -1.56 116.25 117.70 2kaw h VAL 71 Ca 0.09 -1.47 0.01 0.00 0.82 0.00 0.00 66.70 66.14 2kaw h VAL 71 Cb 0.00 1.37 -0.03 0.00 -1.52 0.00 0.00 31.29 31.12 2kaw h VAL 71 CO -0.04 0.48 -0.34 0.03 0.02 0.00 0.00 177.57 177.72 2kaw h ARG 72 N 0.61 -0.64 -0.75 1.57 3.08 -0.28 0.22 114.38 118.20 2kaw h ARG 72 Ca 0.07 0.04 -0.05 0.00 0.07 0.00 0.00 59.98 60.11 2kaw h ARG 72 Cb 0.85 0.14 -0.03 0.00 0.08 0.00 0.00 29.97 31.01 2kaw h ARG 72 CO 0.07 -0.42 0.27 0.28 -1.07 0.00 0.00 179.97 179.10 2kaw h VAL 73 N -0.66 1.26 -0.61 2.04 2.07 -1.24 -2.61 116.25 116.51 2kaw h VAL 73 Ca -0.01 -0.85 0.05 0.00 0.82 0.00 0.00 66.70 66.71 2kaw h VAL 73 Cb 0.62 0.40 -0.05 0.00 -1.52 0.00 0.00 31.29 30.74 2kaw h VAL 73 CO -0.10 0.34 0.34 0.25 0.02 0.00 0.00 177.57 178.42 2kaw h LEU 74 N 1.09 0.52 -1.25 2.57 5.85 -0.80 -1.75 115.31 121.54 2kaw h LEU 74 Ca 0.25 0.02 0.04 0.00 0.84 0.00 0.00 57.88 59.02 2kaw h LEU 74 Cb 0.25 -0.08 -0.05 0.00 0.37 0.00 0.00 40.66 41.15 2kaw h LEU 74 CO -0.01 0.35 0.52 0.03 -0.34 0.00 0.00 178.44 178.99 2kaw h ARG 75 N 0.65 0.94 -0.55 1.25 3.08 -0.19 0.24 114.38 119.80 2kaw h ARG 75 Ca 0.26 -0.06 -0.11 0.00 0.07 0.00 0.00 59.98 60.14 2kaw h ARG 75 Cb 0.12 -0.21 -0.02 0.00 0.08 0.00 0.00 29.97 29.94 2kaw h ARG 75 CO -0.15 0.62 -0.10 0.93 -1.07 0.00 0.00 179.97 180.20 2kaw h GLU 76 N 0.97 1.04 -0.25 0.04 4.39 -1.15 -0.93 114.58 118.70 2kaw h GLU 76 Ca 0.32 -0.38 -0.15 0.00 0.34 0.00 0.00 59.36 59.49 2kaw h GLU 76 Cb 0.05 -0.07 -0.00 0.00 -0.10 0.00 0.00 28.75 28.64 2kaw h GLU 76 CO -0.09 1.08 -0.41 0.82 -1.16 0.00 0.00 179.01 179.24 2kaw h ILE 77 N 0.93 1.30 -0.09 3.13 2.04 -0.70 -2.98 117.51 121.14 2kaw h ILE 77 Ca 0.14 -1.61 -0.05 0.00 1.00 0.00 0.00 64.86 64.34 2kaw h ILE 77 Cb 0.67 1.72 -0.01 0.00 -0.74 0.00 0.00 36.82 38.46 2kaw h ILE 77 CO 0.05 0.51 -0.16 0.58 0.00 0.00 0.00 178.15 179.13 2kaw h VAL 78 N 0.45 1.17 -0.34 1.67 2.07 -0.47 -1.24 116.25 119.56 2kaw h VAL 78 Ca 0.02 -0.75 0.00 0.00 0.82 0.00 0.00 66.70 66.79 2kaw h VAL 78 Cb 1.01 1.29 0.00 0.00 -1.52 0.00 0.00 31.29 32.07 2kaw h VAL 78 CO 0.09 0.23 0.00 -1.20 0.02 0.00 0.00 177.57 176.71 2kaw n SER 79 N -4.28 3.66 -4.56 0.57 7.64 -0.36 -4.87 113.62 111.41 2kaw n SER 79 Ca -0.01 -2.50 -0.25 0.00 1.01 0.00 0.00 58.87 57.11 2kaw n SER 79 Cb 0.27 -0.58 -0.09 0.00 -1.01 0.00 0.00 64.21 62.79 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 -1.98 2.00 -0.25 1.43 2.00 -0.47 -5.02 119.66 117.38 2kaw s GLN 80 Ca 0.32 -1.44 -0.14 0.00 -2.00 0.00 0.00 55.36 52.09 2kaw s GLN 80 Cb 0.24 -2.05 -0.04 0.00 0.80 0.00 0.00 33.01 31.96 2kaw s GLN 80 CO 0.10 0.39 0.35 0.95 -0.50 0.00 0.00 175.29 176.58 2kaw s THR 81 N -2.06 5.21 0.00 -0.34 -4.23 -1.26 -4.98 115.64 107.97 2kaw s THR 81 Ca 0.28 0.55 0.00 0.00 -1.18 0.00 0.00 61.69 61.33 2kaw s THR 81 Cb -0.07 -3.68 0.00 0.00 1.34 0.00 0.00 72.50 70.09 2kaw s THR 81 CO 0.16 0.21 0.00 0.61 -0.54 0.00 0.00 174.62 175.06 2kaw n GLY 82 N 4.44 0.04 3.67 3.99 0.00 -1.26 -5.09 105.19 110.97 2kaw n GLY 82 Ca -0.09 -1.61 -0.43 0.00 0.00 0.00 0.00 46.02 43.89 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 -1.55 4.28 -0.28 1.61 0.02 -1.26 -4.42 135.00 133.39 2kaw s PRO 83 Ca 0.00 1.52 -0.10 0.00 0.02 0.00 0.00 61.00 62.43 2kaw s PRO 83 Cb 0.00 -3.67 -0.04 0.00 0.02 0.00 0.00 34.50 30.82 2kaw s PRO 83 CO 0.00 -0.60 0.16 0.42 -0.33 0.00 0.00 177.00 176.65 2kaw s ILE 84 N 3.07 4.99 -0.20 2.83 1.01 -1.20 -4.94 121.20 126.77 2kaw s ILE 84 Ca 0.50 -0.03 -0.10 0.00 0.00 0.00 0.00 60.65 61.03 2kaw s ILE 84 Cb -0.19 -3.41 -0.05 0.00 0.01 0.00 0.00 42.46 38.82 2kaw s ILE 84 CO 0.12 0.22 0.12 -0.44 0.00 0.00 0.00 174.94 174.96 2kaw s SER 85 N 1.70 6.14 -0.19 3.58 0.01 -1.26 -0.45 113.70 123.24 2kaw s SER 85 Ca 0.06 0.21 -0.03 0.00 1.31 0.00 0.00 55.95 57.50 2kaw s SER 85 Cb -0.16 -2.08 -0.02 0.00 0.21 0.00 0.00 66.02 63.98 2kaw s SER 85 CO 0.09 0.18 -0.05 -0.76 0.41 0.00 0.00 173.24 173.10 2kaw s LEU 86 N 0.38 2.97 -0.48 2.44 1.43 0.14 -1.67 118.68 123.89 2kaw s LEU 86 Ca 0.07 -0.31 -0.11 0.00 -1.03 0.00 0.00 54.13 52.76 2kaw s LEU 86 Cb -0.11 -1.73 0.11 0.00 0.03 0.00 0.00 46.19 44.49 2kaw s LEU 86 CO -0.02 0.06 0.36 -0.89 0.23 0.00 0.00 176.35 176.10 2kaw s THR 87 N 1.00 4.41 0.05 5.49 2.01 0.13 -0.90 115.64 127.84 2kaw s THR 87 Ca 0.00 -1.67 0.00 0.00 0.31 0.00 0.00 61.69 60.34 2kaw s THR 87 Cb -0.15 -3.86 -0.04 0.00 0.01 0.00 0.00 72.50 68.46 2kaw s THR 87 CO 0.00 -0.75 0.17 0.68 -0.69 0.00 0.00 174.62 174.03 2kaw s VAL 88 N 1.42 5.16 -0.34 3.82 -7.23 0.04 -0.88 120.40 122.38 2kaw s VAL 88 Ca 0.05 -0.45 -0.04 0.00 -1.81 0.00 0.00 61.98 59.73 2kaw s VAL 88 Cb -0.26 -3.49 0.06 0.00 0.56 0.00 0.00 36.38 33.25 2kaw s VAL 88 CO 0.00 0.17 0.09 0.00 -0.31 0.00 0.00 175.10 175.05 2kaw s ALA 89 N -1.44 2.98 -2.79 1.32 0.00 0.11 -0.79 121.76 121.16 2kaw s ALA 89 Ca 0.32 -1.93 0.26 0.00 0.00 0.00 0.00 51.96 50.60 2kaw s ALA 89 Cb -0.13 -2.18 0.55 0.00 0.00 0.00 0.00 23.12 21.37 2kaw s ALA 89 CO 0.25 -1.42 1.46 1.63 0.00 0.00 0.00 175.76 177.68