#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 5.05 -0.11 -1.44 1.01 -1.26 -0.18 121.20 124.28 2kaw s ILE 2 Ca 0.00 0.19 0.02 0.00 0.00 0.00 0.00 60.65 60.86 2kaw s ILE 2 Cb 0.00 -3.94 -0.01 0.00 0.01 0.00 0.00 42.46 38.51 2kaw s ILE 2 CO 0.00 -0.22 -0.15 -0.63 0.00 0.00 0.00 174.94 173.94 2kaw s ILE 3 N 2.29 2.87 -0.32 2.92 1.01 0.49 -4.95 121.20 125.50 2kaw s ILE 3 Ca 0.16 -0.75 -0.07 0.00 0.00 0.00 0.00 60.65 60.00 2kaw s ILE 3 Cb -0.16 -2.17 0.02 0.00 0.01 0.00 0.00 42.46 40.17 2kaw s ILE 3 CO 0.13 0.54 0.11 -0.89 0.00 0.00 0.00 174.94 174.83 2kaw s THR 4 N 0.10 3.99 -0.14 2.92 2.01 -1.26 -0.25 115.64 123.02 2kaw s THR 4 Ca -0.07 -0.85 -0.05 0.00 0.31 0.00 0.00 61.69 61.02 2kaw s THR 4 Cb -0.15 -3.15 -0.04 0.00 0.01 0.00 0.00 72.50 69.18 2kaw s THR 4 CO 0.05 -0.04 0.05 0.68 -0.69 0.00 0.00 174.62 174.67 2kaw s VAL 5 N 1.48 4.74 -0.25 3.82 -7.23 0.43 -4.94 120.40 118.44 2kaw s VAL 5 Ca 0.01 -0.07 -0.07 0.00 -1.81 0.00 0.00 61.98 60.04 2kaw s VAL 5 Cb -0.18 -3.07 -0.03 0.00 0.56 0.00 0.00 36.38 33.66 2kaw s VAL 5 CO 0.03 0.54 0.08 0.28 -0.31 0.00 0.00 175.10 175.72 2kaw s THR 6 N -0.35 4.38 0.11 5.32 -1.32 -1.26 -0.72 115.64 121.80 2kaw s THR 6 Ca 0.09 -0.15 0.03 0.00 -1.21 0.00 0.00 61.69 60.44 2kaw s THR 6 Cb -0.12 -3.05 -0.04 0.00 -1.51 0.00 0.00 72.50 67.79 2kaw s THR 6 CO 0.02 0.34 0.17 -0.76 -2.21 0.00 0.00 174.62 172.18 2kaw s LEU 7 N 1.57 4.06 -0.40 9.08 1.43 0.43 -5.01 118.68 129.84 2kaw s LEU 7 Ca 0.06 0.07 -0.14 0.00 -1.03 0.00 0.00 54.13 53.09 2kaw s LEU 7 Cb -0.15 -2.68 0.02 0.00 0.03 0.00 0.00 46.19 43.41 2kaw s LEU 7 CO 0.04 0.12 0.28 0.21 0.23 0.00 0.00 176.35 177.22 2kaw s ASN 8 N -2.80 6.03 -0.02 2.29 3.84 -1.26 -3.57 114.94 119.45 2kaw s ASN 8 Ca 0.32 -0.90 0.15 0.00 0.21 0.00 0.00 52.86 52.64 2kaw s ASN 8 Cb -0.12 -2.13 0.48 0.00 -0.55 0.00 0.00 41.25 38.93 2kaw s ASN 8 CO 0.25 -0.43 1.39 0.23 -2.79 0.00 0.00 177.10 175.75 2kaw n MET 9 N 5.12 2.39 -0.00 0.43 2.81 -1.26 -3.51 117.12 123.11 2kaw n MET 9 Ca -0.11 -1.93 -0.07 0.00 -1.81 0.00 0.00 57.70 53.78 2kaw n MET 9 Cb 0.47 -1.48 -0.05 0.00 -0.71 0.00 0.00 33.22 31.44 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 3.04 -0.11 0.15 0.03 4.39 -1.92 -3.38 114.58 116.78 2kaw h GLU 10 Ca 0.00 0.01 -0.30 0.00 0.34 0.00 0.00 59.36 59.40 2kaw h GLU 10 Cb 0.80 0.03 0.01 0.00 -0.10 0.00 0.00 28.75 29.48 2kaw h GLU 10 CO 0.04 0.25 -1.43 -0.09 -1.16 0.00 0.00 179.01 176.62 2kaw h ARG 11 N -0.98 0.32 -6.90 2.33 2.43 -2.02 -3.46 114.38 106.10 2kaw h ARG 11 Ca -0.01 -0.55 -0.49 0.00 -0.81 0.00 0.00 59.98 58.12 2kaw h ARG 11 Cb 0.42 0.20 0.02 0.00 -0.42 0.00 0.00 29.97 30.19 2kaw h ARG 11 CO 0.02 1.23 0.13 -1.01 -1.51 0.00 0.00 179.97 178.83 2kaw s HIS 12 N -2.63 3.51 -0.03 2.20 3.76 -1.23 -5.00 115.29 115.87 2kaw s HIS 12 Ca -0.08 0.98 0.03 0.00 -0.15 0.00 0.00 55.06 55.83 2kaw s HIS 12 Cb 0.06 -2.41 -0.04 0.00 1.11 0.00 0.00 32.58 31.31 2kaw s HIS 12 CO 0.88 -0.20 0.00 0.72 -0.85 0.00 0.00 174.74 175.30 2kaw n HIS 13 N -1.71 0.00 -4.26 1.40 8.25 -1.26 -4.61 115.22 113.02 2kaw n HIS 13 Ca 0.02 0.00 -0.14 0.00 -0.26 0.00 0.00 57.72 57.33 2kaw n HIS 13 Cb 0.54 -0.16 -0.10 0.00 1.12 0.00 0.00 29.99 31.39 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 -2.08 1.30 -0.01 4.41 -0.71 -1.26 -5.06 117.98 114.57 2kaw s PHE 14 Ca -0.02 -0.87 -0.03 0.00 -1.04 0.00 0.00 56.93 54.97 2kaw s PHE 14 Cb 0.01 -0.71 -0.27 0.00 -1.21 0.00 0.00 43.02 40.83 2kaw s PHE 14 CO 0.13 -0.04 0.79 -0.07 -1.34 0.00 0.00 175.22 174.69 2kaw h LEU 15 N 2.69 0.38 -2.04 -1.99 3.38 -1.94 0.95 115.31 116.75 2kaw h LEU 15 Ca -0.37 -0.57 -0.09 0.00 0.09 0.00 0.00 57.88 56.95 2kaw h LEU 15 Cb 1.20 -0.12 0.05 0.00 0.09 0.00 0.00 40.66 41.87 2kaw h LEU 15 CO 0.64 1.48 -0.22 0.61 0.09 0.00 0.00 178.44 181.04 2kaw n GLY 16 N 1.70 0.24 2.93 0.83 0.00 -1.26 -1.41 105.19 108.21 2kaw n GLY 16 Ca -0.18 -0.28 -0.08 0.00 0.00 0.00 0.00 46.02 45.48 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 -3.10 -0.64 0.05 -0.61 -4.36 -1.26 0.03 121.20 111.31 2kaw s ILE 17 Ca 0.02 -0.16 -0.31 0.00 -0.26 0.00 0.00 60.65 59.95 2kaw s ILE 17 Cb -0.00 -0.90 -0.05 0.00 1.25 0.00 0.00 42.46 42.76 2kaw s ILE 17 CO 0.20 -0.18 1.20 -0.94 0.24 0.00 0.00 174.94 175.46 2kaw s SER 18 N 2.57 7.07 -0.14 4.36 1.04 -0.07 -4.90 113.70 123.63 2kaw s SER 18 Ca 0.12 2.01 -0.24 0.00 0.48 0.00 0.00 55.95 58.31 2kaw s SER 18 Cb -0.14 -2.58 -0.02 0.00 0.10 0.00 0.00 66.02 63.38 2kaw s SER 18 CO -0.22 -0.48 0.77 -0.63 0.98 0.00 0.00 173.24 173.66 2kaw s ILE 19 N 1.15 4.95 -0.19 -1.02 -1.09 -1.26 -0.03 121.20 123.70 2kaw s ILE 19 Ca 0.59 1.53 -0.05 0.00 -2.23 0.00 0.00 60.65 60.48 2kaw s ILE 19 Cb -0.29 -4.09 -0.03 0.00 -1.58 0.00 0.00 42.46 36.47 2kaw s ILE 19 CO 0.29 0.10 0.01 -0.69 -1.23 0.00 0.00 174.94 173.42 2kaw s VAL 20 N 1.73 4.10 -0.36 2.92 1.01 0.12 -4.88 120.40 125.04 2kaw s VAL 20 Ca 0.37 -0.27 -0.16 0.00 0.00 0.00 0.00 61.98 61.92 2kaw s VAL 20 Cb -0.17 -2.85 -0.00 0.00 0.00 0.00 0.00 36.38 33.36 2kaw s VAL 20 CO 0.14 0.43 0.42 -0.83 0.00 0.00 0.00 175.10 175.27 2kaw s GLY 21 N 0.86 1.87 -0.11 4.51 0.00 -1.26 -0.33 107.32 112.86 2kaw s GLY 21 Ca 0.01 -1.20 -0.23 0.00 0.00 0.00 0.00 44.72 43.31 2kaw s GLY 21 CO 0.02 1.11 0.69 1.62 0.00 0.00 0.00 173.10 176.55 2kaw s GLN 22 N 2.16 4.37 -0.24 2.90 0.74 0.09 -4.97 119.66 124.70 2kaw s GLN 22 Ca 0.14 0.83 -0.15 0.00 0.05 0.00 0.00 55.36 56.23 2kaw s GLN 22 Cb -0.16 -3.49 0.07 0.00 1.10 0.00 0.00 33.01 30.53 2kaw s GLN 22 CO 0.13 -0.05 0.60 0.45 -0.55 0.00 0.00 175.29 175.87 2kaw s SER 23 N 0.92 -0.79 0.00 6.67 0.15 -1.26 -2.11 113.70 117.28 2kaw s SER 23 Ca 0.35 1.31 0.00 0.00 0.70 0.00 0.00 55.95 58.32 2kaw s SER 23 Cb -0.17 1.20 0.00 0.00 -1.71 0.00 0.00 66.02 65.34 2kaw s SER 23 CO 0.15 -0.22 0.00 -3.20 1.20 0.00 0.00 173.24 171.17 2kaw n ASN 24 N 4.11 0.00 -0.12 5.45 5.15 -1.26 -4.93 115.26 123.65 2kaw n ASN 24 Ca -0.20 0.00 -0.21 0.00 -0.60 0.00 0.00 54.58 53.57 2kaw n ASN 24 Cb 0.58 0.00 -0.10 0.00 -0.53 0.00 0.00 39.78 39.72 2kaw n ASN 24 CO 0.00 0.00 0.00 0.47 1.40 0.00 0.00 177.26 179.13 2kaw n ASP 25 N 0.00 2.00 0.07 1.20 8.00 -1.26 -4.66 116.55 121.90 2kaw n ASP 25 Ca 0.00 0.05 -0.09 0.00 0.71 0.00 0.00 54.79 55.46 2kaw n ASP 25 Cb 0.00 -0.53 -0.06 0.00 -0.02 0.00 0.00 41.12 40.51 2kaw n ASP 25 CO 0.00 0.00 0.00 0.03 -0.39 0.00 0.00 177.20 176.84 2kaw h ARG 26 N -0.37 -0.26 0.00 -1.24 2.47 -2.00 -3.48 114.38 109.50 2kaw h ARG 26 Ca -0.58 0.02 0.00 0.00 -1.26 0.00 0.00 59.98 58.15 2kaw h ARG 26 Cb 1.73 0.06 0.00 0.00 -1.65 0.00 0.00 29.97 30.11 2kaw h ARG 26 CO -0.21 0.07 0.00 0.41 0.56 0.00 0.00 179.97 180.81 2kaw n GLY 27 N 0.74 2.17 2.00 0.04 0.00 -1.26 -4.98 105.19 103.90 2kaw n GLY 27 Ca -0.07 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.83 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 5.49 -0.04 1.61 5.68 -1.26 -4.48 116.55 123.56 2kaw n ASP 28 Ca 0.00 -2.61 -0.14 0.00 -0.50 0.00 0.00 54.79 51.54 2kaw n ASP 28 Cb 0.00 -1.34 -0.09 0.00 -1.14 0.00 0.00 41.12 38.55 2kaw n ASP 28 CO 0.00 0.00 0.00 1.23 -1.33 0.00 0.00 177.20 177.10 2kaw h GLY 29 N 4.46 0.33 0.00 6.12 0.00 -1.80 -3.50 103.07 108.67 2kaw h GLY 29 Ca 0.20 -0.42 0.00 0.00 0.00 0.00 0.00 47.33 47.11 2kaw h GLY 29 CO 0.32 0.38 0.00 0.61 0.00 0.00 0.00 176.54 177.84 2kaw n GLY 30 N 0.57 1.78 3.56 4.60 0.00 -1.15 -4.80 105.19 109.74 2kaw n GLY 30 Ca -0.08 -2.12 -0.35 0.00 0.00 0.00 0.00 46.02 43.48 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 -1.81 4.45 0.25 -0.61 -4.36 -1.26 -0.74 121.20 117.12 2kaw s ILE 31 Ca 0.00 -0.15 0.10 0.00 -0.26 0.00 0.00 60.65 60.34 2kaw s ILE 31 Cb 0.00 -3.01 -0.05 0.00 1.25 0.00 0.00 42.46 40.65 2kaw s ILE 31 CO 0.00 0.44 -0.17 -0.31 0.24 0.00 0.00 174.94 175.14 2kaw s TYR 32 N 0.65 2.04 -0.27 1.37 1.51 0.55 -1.52 117.35 121.68 2kaw s TYR 32 Ca 0.02 -0.45 -0.28 0.00 -1.01 0.00 0.00 57.07 55.34 2kaw s TYR 32 Cb -0.13 -0.93 0.01 0.00 -0.11 0.00 0.00 41.96 40.80 2kaw s TYR 32 CO 0.02 0.54 1.03 0.42 -1.11 0.00 0.00 175.55 176.45 2kaw s ILE 33 N -2.73 4.63 0.00 2.71 -1.09 0.43 0.12 121.20 125.28 2kaw s ILE 33 Ca 0.27 1.85 0.00 0.00 -2.23 0.00 0.00 60.65 60.54 2kaw s ILE 33 Cb -0.03 -4.33 0.00 0.00 -1.58 0.00 0.00 42.46 36.53 2kaw s ILE 33 CO 0.11 -0.29 0.00 0.61 -1.23 0.00 0.00 174.94 174.15 2kaw n GLY 34 N 3.59 0.00 3.19 6.18 0.00 0.95 -0.80 105.19 118.30 2kaw n GLY 34 Ca 0.11 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.86 2kaw n GLY 34 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2kaw s SER 35 N -2.51 2.40 -0.06 1.61 1.04 -1.25 -4.61 113.70 110.31 2kaw s SER 35 Ca 0.00 -0.39 -0.09 0.00 0.48 0.00 0.00 55.95 55.96 2kaw s SER 35 Cb 0.00 -0.52 -0.05 0.00 0.10 0.00 0.00 66.02 65.55 2kaw s SER 35 CO 0.00 0.20 0.23 -0.63 0.98 0.00 0.00 173.24 174.02 2kaw s ILE 36 N -0.18 5.35 -0.17 -1.02 1.01 -1.26 -0.89 121.20 124.04 2kaw s ILE 36 Ca 0.00 0.35 -0.03 0.00 0.00 0.00 0.00 60.65 60.98 2kaw s ILE 36 Cb -0.11 -3.51 -0.02 0.00 0.01 0.00 0.00 42.46 38.84 2kaw s ILE 36 CO 0.01 0.56 -0.06 -0.04 0.00 0.00 0.00 174.94 175.41 2kaw s MET 37 N -1.19 3.49 0.21 2.79 -1.94 0.10 -4.95 119.30 117.82 2kaw s MET 37 Ca 0.20 -0.60 -0.31 0.00 -1.71 0.00 0.00 55.69 53.27 2kaw s MET 37 Cb -0.13 -2.88 -0.10 0.00 2.01 0.00 0.00 34.83 33.72 2kaw s MET 37 CO 0.09 0.07 1.54 0.21 -0.01 0.00 0.00 175.02 176.92 2kaw s LYS 38 N 0.78 4.21 0.00 2.03 2.47 -1.26 -2.16 119.74 125.81 2kaw s LYS 38 Ca -0.02 2.39 0.00 0.00 -1.56 0.00 0.00 55.97 56.78 2kaw s LYS 38 Cb -0.15 -3.12 0.00 0.00 -1.46 0.00 0.00 37.83 33.11 2kaw s LYS 38 CO 0.02 -0.56 0.00 0.41 0.16 0.00 0.00 175.35 175.37 2kaw n GLY 39 N 3.06 1.67 3.88 5.54 0.00 -1.26 -5.08 105.19 113.00 2kaw n GLY 39 Ca 0.11 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.83 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 -2.27 1.64 0.43 -0.02 0.00 -0.92 -4.84 107.32 101.34 2kaw s GLY 40 Ca 0.00 -0.23 0.12 0.00 0.00 0.00 0.00 44.72 44.60 2kaw s GLY 40 CO 0.00 0.10 2.03 0.00 0.00 0.00 0.00 173.10 175.22 2kaw h ALA 41 N -0.52 1.91 0.00 3.20 0.00 -0.32 -1.55 119.26 121.97 2kaw h ALA 41 Ca -0.45 -0.02 -0.21 0.00 0.00 0.00 0.00 54.91 54.23 2kaw h ALA 41 Cb 1.23 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.91 2kaw h ALA 41 CO 0.63 0.02 -0.92 0.28 0.00 0.00 0.00 179.25 179.26 2kaw h VAL 42 N 0.42 1.44 0.00 0.00 2.07 -1.50 -3.05 116.25 115.63 2kaw h VAL 42 Ca 0.20 -2.51 0.00 0.00 0.82 0.00 0.00 66.70 65.21 2kaw h VAL 42 Cb 0.27 2.44 0.00 0.00 -1.52 0.00 0.00 31.29 32.48 2kaw h VAL 42 CO -0.05 0.74 0.00 0.00 0.02 0.00 0.00 177.57 178.28 2kaw h ALA 43 N 0.83 1.00 -0.01 1.67 0.00 -1.44 -1.24 119.26 120.07 2kaw h ALA 43 Ca -0.07 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.84 2kaw h ALA 43 Cb 1.55 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.34 2kaw h ALA 43 CO 0.15 0.00 -0.20 0.00 0.00 0.00 0.00 179.25 179.20 2kaw n ALA 44 N -1.92 2.96 -0.40 0.00 0.00 -0.92 -4.47 120.51 115.76 2kaw n ALA 44 Ca 0.01 -0.39 0.00 0.00 0.00 0.00 0.00 53.44 53.06 2kaw n ALA 44 Cb 0.25 -1.17 0.00 0.00 0.00 0.00 0.00 19.45 18.53 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 -0.59 0.00 0.00 0.00 -0.08 -0.50 -5.05 116.55 110.34 2kaw n ASP 45 Ca 0.13 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.41 2kaw n ASP 45 Cb 0.34 -0.28 0.00 0.00 2.34 0.00 0.00 41.12 43.51 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 2.01 2.30 0.27 0.27 0.00 -1.04 -4.95 105.19 104.05 2kaw n GLY 46 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.01 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 0.81 0.56 -6.32 1.61 3.08 -1.97 -3.42 114.38 108.73 2kaw h ARG 47 Ca 0.00 -0.12 -0.55 0.00 0.07 0.00 0.00 59.98 59.37 2kaw h ARG 47 Cb 0.00 -0.08 -0.04 0.00 0.08 0.00 0.00 29.97 29.93 2kaw h ARG 47 CO 0.00 0.59 0.08 0.42 -1.07 0.00 0.00 179.97 179.98 2kaw s ILE 48 N -4.98 4.63 0.11 2.04 1.01 -1.26 -5.08 121.20 117.68 2kaw s ILE 48 Ca -0.08 1.46 0.01 0.00 0.00 0.00 0.00 60.65 62.04 2kaw s ILE 48 Cb 0.15 -4.02 -0.04 0.00 0.01 0.00 0.00 42.46 38.56 2kaw s ILE 48 CO 0.77 0.49 -0.02 -1.83 0.00 0.00 0.00 174.94 174.35 2kaw s GLU 49 N -0.81 0.88 -0.37 2.79 -1.05 -1.26 -5.00 118.70 113.88 2kaw s GLU 49 Ca 0.33 -1.38 -0.27 0.00 -0.15 0.00 0.00 54.97 53.50 2kaw s GLU 49 Cb -0.21 -0.08 -0.05 0.00 -0.44 0.00 0.00 34.13 33.35 2kaw s GLU 49 CO 0.22 -0.10 2.26 -2.14 0.95 0.00 0.00 175.26 176.45 2kaw s PRO 50 N -3.90 2.65 0.00 -4.83 0.02 -1.26 -1.84 135.00 125.83 2kaw s PRO 50 Ca 0.16 1.63 0.00 0.00 0.02 0.00 0.00 61.00 62.81 2kaw s PRO 50 Cb 0.06 -4.46 0.00 0.00 0.02 0.00 0.00 34.50 30.12 2kaw s PRO 50 CO -0.02 -2.66 0.00 0.41 -0.33 0.00 0.00 177.00 174.40 2kaw n GLY 51 N 5.85 1.05 3.77 0.52 0.00 0.02 -4.98 105.19 111.41 2kaw n GLY 51 Ca 0.32 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.94 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 -0.30 6.72 -0.16 1.61 1.01 -0.76 -4.66 116.67 120.12 2kaw s ASP 52 Ca 0.00 2.56 -0.10 0.00 0.71 0.00 0.00 52.55 55.72 2kaw s ASP 52 Cb 0.00 -2.64 -0.05 0.00 1.01 0.00 0.00 42.92 41.25 2kaw s ASP 52 CO 0.00 -0.56 0.17 -0.32 0.21 0.00 0.00 175.17 174.68 2kaw s MET 53 N -1.91 3.95 -0.15 8.23 -2.45 -1.17 -0.43 119.30 125.38 2kaw s MET 53 Ca 0.51 -0.11 -0.23 0.00 -1.25 0.00 0.00 55.69 54.62 2kaw s MET 53 Cb -0.37 -3.34 -0.03 0.00 1.25 0.00 0.00 34.83 32.35 2kaw s MET 53 CO 0.48 0.46 0.69 -0.51 1.05 0.00 0.00 175.02 177.19 2kaw s LEU 54 N -0.14 4.21 -0.08 4.11 1.43 -0.57 -0.73 118.68 126.91 2kaw s LEU 54 Ca 0.12 1.02 -0.09 0.00 -1.03 0.00 0.00 54.13 54.16 2kaw s LEU 54 Cb -0.12 -3.02 -0.03 0.00 0.03 0.00 0.00 46.19 43.05 2kaw s LEU 54 CO 0.02 -0.24 -0.18 0.18 0.23 0.00 0.00 176.35 176.36 2kaw n LEU 55 N 4.63 1.09 -4.22 1.79 4.77 0.72 -4.62 117.00 121.16 2kaw n LEU 55 Ca -0.00 0.18 -0.27 0.00 -0.03 0.00 0.00 56.01 55.89 2kaw n LEU 55 Cb 0.50 -0.58 -0.16 0.00 -2.33 0.00 0.00 43.42 40.86 2kaw n LEU 55 CO 0.46 -0.41 -0.53 -1.58 -1.33 0.00 0.00 177.39 174.01 2kaw s GLN 56 N -2.06 1.72 -0.30 3.23 0.74 -1.22 -0.31 119.66 121.45 2kaw s GLN 56 Ca -0.15 -0.74 -0.01 0.00 0.05 0.00 0.00 55.36 54.51 2kaw s GLN 56 Cb 0.02 -1.64 0.10 0.00 1.10 0.00 0.00 33.01 32.59 2kaw s GLN 56 CO 0.22 0.43 0.10 0.08 -0.55 0.00 0.00 175.29 175.57 2kaw s VAL 57 N -0.45 0.69 -0.57 1.34 1.01 -0.38 -0.78 120.40 121.26 2kaw s VAL 57 Ca 0.07 -1.23 -0.10 0.00 0.00 0.00 0.00 61.98 60.71 2kaw s VAL 57 Cb -0.08 -1.51 0.01 0.00 0.00 0.00 0.00 36.38 34.80 2kaw s VAL 57 CO -0.00 -0.65 0.64 0.59 0.00 0.00 0.00 175.10 175.68 2kaw n ASN 58 N 4.93 -7.62 0.00 3.32 4.13 -0.91 -3.64 115.26 115.46 2kaw n ASN 58 Ca -0.03 0.19 0.00 0.00 1.68 0.00 0.00 54.58 56.42 2kaw n ASN 58 Cb 0.42 -4.99 0.00 0.00 -1.54 0.00 0.00 39.78 33.67 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 -0.98 0.00 -4.71 6.41 8.00 -1.26 -4.91 116.55 119.09 2kaw n ASP 59 Ca 0.04 0.00 -0.42 0.00 0.71 0.00 0.00 54.79 55.12 2kaw n ASP 59 Cb 0.50 0.00 -0.03 0.00 -0.02 0.00 0.00 41.12 41.57 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 3.70 -0.14 2.53 -7.23 -1.24 -5.01 120.40 113.01 2kaw s VAL 60 Ca 0.00 1.21 -0.10 0.00 -1.81 0.00 0.00 61.98 61.27 2kaw s VAL 60 Cb 0.00 -3.77 -0.05 0.00 0.56 0.00 0.00 36.38 33.12 2kaw s VAL 60 CO 0.00 0.08 0.20 0.21 -0.31 0.00 0.00 175.10 175.28 2kaw s ASN 61 N 1.18 6.39 0.00 4.85 2.47 -1.26 -1.25 114.94 127.31 2kaw s ASN 61 Ca 0.62 0.46 0.15 0.00 0.42 0.00 0.00 52.86 54.50 2kaw s ASN 61 Cb -0.33 -2.12 0.17 0.00 -1.45 0.00 0.00 41.25 37.52 2kaw s ASN 61 CO 0.29 0.26 1.04 0.49 -3.72 0.00 0.00 177.10 175.46 2kaw n PHE 62 N 2.79 0.10 -0.29 0.43 3.72 0.57 -4.57 117.46 120.22 2kaw n PHE 62 Ca -0.16 -0.08 -0.02 0.00 -0.05 0.00 0.00 57.45 57.14 2kaw n PHE 62 Cb 0.53 -0.00 0.11 0.00 -0.94 0.00 0.00 39.48 39.17 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 2.94 0.94 -0.86 -1.08 5.08 -1.85 -2.07 114.58 117.68 2kaw h GLU 63 Ca 0.00 -0.06 -0.51 0.00 -1.00 0.00 0.00 59.36 57.79 2kaw h GLU 63 Cb 0.66 -0.21 -0.28 0.00 0.50 0.00 0.00 28.75 29.42 2kaw h GLU 63 CO 0.00 0.62 0.47 0.09 -1.00 0.00 0.00 179.01 179.20 2kaw n ASN 64 N -4.61 4.82 -4.44 1.42 3.02 -1.26 -4.95 115.26 109.25 2kaw n ASN 64 Ca 0.10 -3.71 -0.22 0.00 -0.03 0.00 0.00 54.58 50.72 2kaw n ASN 64 Cb 0.11 -0.81 -0.10 0.00 -0.61 0.00 0.00 39.78 38.37 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 -3.48 1.58 0.64 3.52 -1.94 -0.78 -5.14 119.30 113.70 2kaw s MET 65 Ca 0.57 -1.81 -0.12 0.00 -1.71 0.00 0.00 55.69 52.61 2kaw s MET 65 Cb 0.47 -1.19 -0.02 0.00 2.01 0.00 0.00 34.83 36.10 2kaw s MET 65 CO 0.05 0.03 1.04 -1.54 -0.01 0.00 0.00 175.02 174.59 2kaw s SER 66 N -3.46 5.80 0.33 3.03 1.04 -1.26 -4.89 113.70 114.29 2kaw s SER 66 Ca 0.30 1.61 0.03 0.00 0.48 0.00 0.00 55.95 58.37 2kaw s SER 66 Cb 0.04 -2.50 0.58 0.00 0.10 0.00 0.00 66.02 64.25 2kaw s SER 66 CO 0.13 -1.16 1.91 0.78 0.98 0.00 0.00 173.24 175.87 2kaw h ASN 67 N -0.21 0.61 0.16 7.02 2.35 -1.93 -0.34 115.58 123.24 2kaw h ASN 67 Ca -0.45 -0.08 -0.01 0.00 -0.55 0.00 0.00 56.30 55.21 2kaw h ASN 67 Cb 1.20 -0.16 0.00 0.00 0.05 0.00 0.00 38.32 39.42 2kaw h ASN 67 CO 0.59 0.58 -0.08 0.44 -1.65 0.00 0.00 177.43 177.31 2kaw h ASP 68 N 0.65 -0.19 -0.17 5.81 3.32 -1.97 -3.00 116.42 120.87 2kaw h ASP 68 Ca 0.15 -0.33 -0.03 0.00 0.02 0.00 0.00 57.03 56.84 2kaw h ASP 68 Cb 0.20 0.05 -0.01 0.00 0.22 0.00 0.00 39.33 39.78 2kaw h ASP 68 CO -0.01 0.29 0.02 0.44 -1.72 0.00 0.00 179.24 178.26 2kaw h ASP 69 N -0.73 0.36 -0.17 6.45 3.32 -1.93 -0.56 116.42 123.16 2kaw h ASP 69 Ca -0.02 -0.05 0.02 0.00 0.02 0.00 0.00 57.03 57.00 2kaw h ASP 69 Cb 0.51 -0.09 -0.02 0.00 0.22 0.00 0.00 39.33 39.95 2kaw h ASP 69 CO 0.04 0.40 0.05 0.00 -1.72 0.00 0.00 179.24 178.01 2kaw h ALA 70 N 1.65 0.18 -0.15 3.45 0.00 -1.08 -1.03 119.26 122.27 2kaw h ALA 70 Ca 0.09 0.02 -0.13 0.00 0.00 0.00 0.00 54.91 54.89 2kaw h ALA 70 Cb 0.22 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 2kaw h ALA 70 CO 0.00 -0.39 -0.49 0.28 0.00 0.00 0.00 179.25 178.66 2kaw h VAL 71 N 0.12 1.33 0.01 0.00 2.07 -1.31 -2.30 116.25 116.17 2kaw h VAL 71 Ca 0.07 -1.71 0.02 0.00 0.82 0.00 0.00 66.70 65.91 2kaw h VAL 71 Cb 0.05 1.74 -0.03 0.00 -1.52 0.00 0.00 31.29 31.54 2kaw h VAL 71 CO -0.08 0.52 -0.13 0.03 0.02 0.00 0.00 177.57 177.93 2kaw h ARG 72 N 0.32 -0.21 -0.53 1.57 3.08 -0.55 0.16 114.38 118.22 2kaw h ARG 72 Ca 0.02 0.01 -0.10 0.00 0.07 0.00 0.00 59.98 59.98 2kaw h ARG 72 Cb 0.97 0.05 -0.02 0.00 0.08 0.00 0.00 29.97 31.05 2kaw h ARG 72 CO 0.08 -0.14 -0.08 0.28 -1.07 0.00 0.00 179.97 179.05 2kaw h VAL 73 N -0.22 1.26 -0.85 2.04 2.07 -1.20 -2.79 116.25 116.57 2kaw h VAL 73 Ca 0.04 -1.21 0.03 0.00 0.82 0.00 0.00 66.70 66.39 2kaw h VAL 73 Cb 0.27 0.94 -0.05 0.00 -1.52 0.00 0.00 31.29 30.93 2kaw h VAL 73 CO -0.12 0.43 0.54 0.25 0.02 0.00 0.00 177.57 178.69 2kaw h LEU 74 N 0.87 0.91 -1.18 2.57 5.85 -0.91 -1.74 115.31 121.68 2kaw h LEU 74 Ca 0.14 -0.01 0.03 0.00 0.84 0.00 0.00 57.88 58.89 2kaw h LEU 74 Cb 0.62 -0.20 -0.05 0.00 0.37 0.00 0.00 40.66 41.39 2kaw h LEU 74 CO 0.04 0.63 0.56 0.03 -0.34 0.00 0.00 178.44 179.36 2kaw h ARG 75 N 1.06 1.05 -0.40 1.25 3.08 -0.43 0.18 114.38 120.17 2kaw h ARG 75 Ca 0.34 -0.06 -0.07 0.00 0.07 0.00 0.00 59.98 60.25 2kaw h ARG 75 Cb -0.00 -0.24 -0.01 0.00 0.08 0.00 0.00 29.97 29.80 2kaw h ARG 75 CO -0.11 0.69 -0.03 0.93 -1.07 0.00 0.00 179.97 180.38 2kaw h GLU 76 N 1.08 0.73 -0.50 0.04 4.39 -1.20 -0.50 114.58 118.62 2kaw h GLU 76 Ca 0.34 -0.25 -0.10 0.00 0.34 0.00 0.00 59.36 59.69 2kaw h GLU 76 Cb 0.00 -0.06 -0.02 0.00 -0.10 0.00 0.00 28.75 28.58 2kaw h GLU 76 CO -0.10 0.83 -0.09 0.82 -1.16 0.00 0.00 179.01 179.32 2kaw h ILE 77 N 0.55 1.27 -0.12 3.13 2.04 -0.76 -2.70 117.51 120.92 2kaw h ILE 77 Ca 0.11 -1.22 -0.06 0.00 1.00 0.00 0.00 64.86 64.69 2kaw h ILE 77 Cb 0.52 1.04 -0.01 0.00 -0.74 0.00 0.00 36.82 37.63 2kaw h ILE 77 CO 0.03 0.42 -0.20 0.58 0.00 0.00 0.00 178.15 178.98 2kaw h VAL 78 N 0.79 1.20 -0.34 1.67 2.07 -0.51 -1.75 116.25 119.38 2kaw h VAL 78 Ca 0.13 -0.93 0.00 0.00 0.82 0.00 0.00 66.70 66.72 2kaw h VAL 78 Cb 0.64 1.34 0.00 0.00 -1.52 0.00 0.00 31.29 31.75 2kaw h VAL 78 CO 0.04 0.28 0.00 -1.20 0.02 0.00 0.00 177.57 176.71 2kaw n SER 79 N -4.22 2.21 -4.67 0.57 7.64 -0.21 -4.87 113.62 110.06 2kaw n SER 79 Ca -0.01 -2.10 -0.25 0.00 1.01 0.00 0.00 58.87 57.52 2kaw n SER 79 Cb 0.31 -0.32 -0.07 0.00 -1.01 0.00 0.00 64.21 63.12 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 -1.60 2.41 -0.76 1.43 2.00 -0.66 -5.03 119.66 117.45 2kaw s GLN 80 Ca 0.24 -1.21 -0.16 0.00 -2.00 0.00 0.00 55.36 52.24 2kaw s GLN 80 Cb 0.14 -2.31 0.18 0.00 0.80 0.00 0.00 33.01 31.82 2kaw s GLN 80 CO 0.14 0.42 0.75 0.99 -0.50 0.00 0.00 175.29 177.09 2kaw s THR 81 N -1.96 5.34 0.05 -0.34 2.01 -1.26 -4.98 115.64 114.50 2kaw s THR 81 Ca 0.29 -2.00 -0.28 0.00 0.31 0.00 0.00 61.69 60.01 2kaw s THR 81 Cb -0.08 -4.48 0.10 0.00 0.01 0.00 0.00 72.50 68.04 2kaw s THR 81 CO 0.19 -1.07 1.19 -0.83 -0.69 0.00 0.00 174.62 173.41 2kaw s GLY 82 N 2.80 -0.25 -0.20 4.40 0.00 -1.26 -5.12 107.32 107.69 2kaw s GLY 82 Ca 0.16 0.31 -0.29 0.00 0.00 0.00 0.00 44.72 44.90 2kaw s GLY 82 CO -0.05 1.38 1.56 2.56 0.00 0.00 0.00 173.10 178.55 2kaw s PRO 83 N -2.49 3.91 -0.13 2.90 0.04 -1.26 -4.58 135.00 133.39 2kaw s PRO 83 Ca 0.18 1.71 -0.17 0.00 0.04 0.00 0.00 61.00 62.75 2kaw s PRO 83 Cb 0.02 -3.99 -0.04 0.00 0.04 0.00 0.00 34.50 30.53 2kaw s PRO 83 CO -0.01 -1.15 0.44 0.42 0.04 0.00 0.00 177.00 176.74 2kaw s ILE 84 N 4.78 5.21 -0.20 0.56 1.01 -1.23 -4.95 121.20 126.38 2kaw s ILE 84 Ca 0.69 0.86 0.01 0.00 0.00 0.00 0.00 60.65 62.22 2kaw s ILE 84 Cb -0.25 -3.78 0.03 0.00 0.01 0.00 0.00 42.46 38.47 2kaw s ILE 84 CO 0.27 0.34 -0.16 -0.44 0.00 0.00 0.00 174.94 174.95 2kaw s SER 85 N 0.58 3.45 -0.20 3.58 0.01 -1.26 -0.43 113.70 119.43 2kaw s SER 85 Ca 0.24 -0.85 -0.06 0.00 1.31 0.00 0.00 55.95 56.59 2kaw s SER 85 Cb -0.15 -1.44 -0.03 0.00 0.21 0.00 0.00 66.02 64.61 2kaw s SER 85 CO 0.09 -0.07 0.02 -0.76 0.41 0.00 0.00 173.24 172.93 2kaw s LEU 86 N 1.27 3.44 -0.38 2.44 1.43 0.11 -2.14 118.68 124.85 2kaw s LEU 86 Ca 0.01 -0.11 -0.12 0.00 -1.03 0.00 0.00 54.13 52.88 2kaw s LEU 86 Cb -0.15 -1.87 0.02 0.00 0.03 0.00 0.00 46.19 44.22 2kaw s LEU 86 CO -0.10 0.10 0.22 -0.89 0.23 0.00 0.00 176.35 175.91 2kaw s THR 87 N 0.82 4.72 0.22 5.49 2.01 0.04 -0.43 115.64 128.50 2kaw s THR 87 Ca 0.02 -0.79 0.08 0.00 0.31 0.00 0.00 61.69 61.30 2kaw s THR 87 Cb -0.14 -3.62 -0.04 0.00 0.01 0.00 0.00 72.50 68.71 2kaw s THR 87 CO 0.02 -0.23 0.06 0.68 -0.69 0.00 0.00 174.62 174.47 2kaw s VAL 88 N 1.58 3.92 -0.20 3.82 -7.23 0.66 -0.20 120.40 122.76 2kaw s VAL 88 Ca 0.03 -1.51 0.01 0.00 -1.81 0.00 0.00 61.98 58.70 2kaw s VAL 88 Cb -0.19 -3.05 0.03 0.00 0.56 0.00 0.00 36.38 33.74 2kaw s VAL 88 CO 0.07 -0.24 -0.16 0.00 -0.31 0.00 0.00 175.10 174.47 2kaw s ALA 89 N -1.99 2.26 -1.40 1.32 0.00 0.09 -0.38 121.76 121.66 2kaw s ALA 89 Ca 0.30 -1.29 0.11 0.00 0.00 0.00 0.00 51.96 51.08 2kaw s ALA 89 Cb -0.08 -1.27 0.09 0.00 0.00 0.00 0.00 23.12 21.86 2kaw s ALA 89 CO 0.21 -0.61 0.85 1.63 0.00 0.00 0.00 175.76 177.84