#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 -0.15 -1.44 1.01 -1.26 -0.23 121.20 124.19 2kaw s ILE 2 Ca 0.00 0.75 0.00 0.00 0.00 0.00 0.00 60.65 61.40 2kaw s ILE 2 Cb 0.00 -3.86 -0.01 0.00 0.01 0.00 0.00 42.46 38.60 2kaw s ILE 2 CO 0.00 0.01 -0.15 -0.63 0.00 0.00 0.00 174.94 174.18 2kaw s ILE 3 N 2.34 2.77 -0.30 2.92 1.01 0.80 -4.97 121.20 125.77 2kaw s ILE 3 Ca 0.21 -0.74 -0.09 0.00 0.00 0.00 0.00 60.65 60.02 2kaw s ILE 3 Cb -0.16 -2.17 -0.02 0.00 0.01 0.00 0.00 42.46 40.13 2kaw s ILE 3 CO 0.10 0.52 0.14 -0.89 0.00 0.00 0.00 174.94 174.81 2kaw s THR 4 N 0.70 4.66 -0.03 2.92 2.01 -1.26 -0.67 115.64 123.98 2kaw s THR 4 Ca -0.07 -0.29 0.07 0.00 0.31 0.00 0.00 61.69 61.71 2kaw s THR 4 Cb -0.16 -3.32 -0.02 0.00 0.01 0.00 0.00 72.50 69.02 2kaw s THR 4 CO 0.02 0.14 -0.24 0.68 -0.69 0.00 0.00 174.62 174.53 2kaw s VAL 5 N 1.64 1.89 0.04 3.82 -7.23 0.35 -4.97 120.40 115.93 2kaw s VAL 5 Ca 0.05 -1.01 0.02 0.00 -1.81 0.00 0.00 61.98 59.23 2kaw s VAL 5 Cb -0.17 -1.58 -0.04 0.00 0.56 0.00 0.00 36.38 35.16 2kaw s VAL 5 CO 0.06 0.53 0.06 0.28 -0.31 0.00 0.00 175.10 175.73 2kaw s THR 6 N -0.47 4.50 0.23 5.32 -1.32 -1.26 0.08 115.64 122.72 2kaw s THR 6 Ca 0.06 -0.62 0.11 0.00 -1.21 0.00 0.00 61.69 60.03 2kaw s THR 6 Cb -0.10 -3.10 -0.05 0.00 -1.51 0.00 0.00 72.50 67.74 2kaw s THR 6 CO -0.00 0.25 -0.21 -0.76 -2.21 0.00 0.00 174.62 171.69 2kaw s LEU 7 N -2.00 2.51 -0.46 9.08 1.43 0.63 -4.98 118.68 124.89 2kaw s LEU 7 Ca 0.25 -0.95 -0.16 0.00 -1.03 0.00 0.00 54.13 52.24 2kaw s LEU 7 Cb -0.12 -1.05 0.06 0.00 0.03 0.00 0.00 46.19 45.11 2kaw s LEU 7 CO 0.17 0.04 0.40 0.21 0.23 0.00 0.00 176.35 177.39 2kaw s ASN 8 N -3.09 6.15 -0.10 2.29 3.84 -1.26 -3.76 114.94 119.00 2kaw s ASN 8 Ca 0.24 -1.21 0.07 0.00 0.21 0.00 0.00 52.86 52.18 2kaw s ASN 8 Cb -0.06 -2.19 0.40 0.00 -0.55 0.00 0.00 41.25 38.85 2kaw s ASN 8 CO 0.11 -0.63 1.14 0.23 -2.79 0.00 0.00 177.10 175.17 2kaw n MET 9 N 5.27 2.81 -0.08 0.43 2.81 -1.26 -3.07 117.12 124.03 2kaw n MET 9 Ca -0.12 -1.54 -0.22 0.00 -1.81 0.00 0.00 57.70 54.02 2kaw n MET 9 Cb 0.44 -1.81 -0.12 0.00 -0.71 0.00 0.00 33.22 31.02 2kaw n MET 9 CO 0.00 0.00 0.00 0.39 1.51 0.00 0.00 175.97 177.87 2kaw n GLU 10 N 0.34 0.67 0.03 0.03 -0.58 -1.26 -4.37 120.64 115.50 2kaw n GLU 10 Ca 0.14 0.26 0.11 0.00 -0.42 0.00 0.00 57.16 57.25 2kaw n GLU 10 Cb 0.67 -1.61 0.05 0.00 -0.57 0.00 0.00 31.44 29.98 2kaw n GLU 10 CO 0.00 0.00 0.00 -2.13 -0.48 0.00 0.00 177.13 174.52 2kaw n ARG 11 N -3.65 0.28 -4.42 3.49 0.63 -1.25 -4.91 116.66 106.84 2kaw n ARG 11 Ca -0.41 0.01 -0.27 0.00 -0.92 0.00 0.00 57.85 56.26 2kaw n ARG 11 Cb 0.95 -1.61 -0.12 0.00 0.45 0.00 0.00 32.46 32.14 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 -3.19 2.28 -0.06 -0.14 3.76 -1.18 -5.04 115.29 111.73 2kaw s HIS 12 Ca 0.04 -0.36 0.09 0.00 -0.15 0.00 0.00 55.06 54.67 2kaw s HIS 12 Cb 0.14 -1.14 -0.12 0.00 1.11 0.00 0.00 32.58 32.56 2kaw s HIS 12 CO 0.79 0.48 0.10 0.72 -0.85 0.00 0.00 174.74 175.97 2kaw n HIS 13 N 0.34 0.00 -4.21 1.40 8.25 -1.26 -4.51 115.22 115.23 2kaw n HIS 13 Ca -0.13 0.00 -0.12 0.00 -0.26 0.00 0.00 57.72 57.21 2kaw n HIS 13 Cb 0.56 -0.36 -0.10 0.00 1.12 0.00 0.00 29.99 31.21 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 -2.38 1.06 0.00 4.41 -0.71 -1.26 -5.06 117.98 114.04 2kaw s PHE 14 Ca -0.04 -0.90 -0.07 0.00 -1.04 0.00 0.00 56.93 54.88 2kaw s PHE 14 Cb 0.04 -0.59 -0.30 0.00 -1.21 0.00 0.00 43.02 40.96 2kaw s PHE 14 CO 0.38 -0.10 0.87 -0.07 -1.34 0.00 0.00 175.22 174.96 2kaw h LEU 15 N 2.86 0.52 -1.86 -1.99 3.38 -1.94 0.21 115.31 116.50 2kaw h LEU 15 Ca -0.36 -0.68 -0.07 0.00 0.09 0.00 0.00 57.88 56.86 2kaw h LEU 15 Cb 1.18 -0.17 0.03 0.00 0.09 0.00 0.00 40.66 41.79 2kaw h LEU 15 CO 0.64 1.56 -0.15 0.61 0.09 0.00 0.00 178.44 181.19 2kaw n GLY 16 N 1.70 0.31 2.86 0.83 0.00 -1.26 -1.60 105.19 108.03 2kaw n GLY 16 Ca -0.17 -0.38 -0.12 0.00 0.00 0.00 0.00 46.02 45.35 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 -3.07 -0.53 0.16 -0.61 -4.36 -1.26 -0.12 121.20 111.41 2kaw s ILE 17 Ca 0.01 -0.22 -0.30 0.00 -0.26 0.00 0.00 60.65 59.87 2kaw s ILE 17 Cb -0.00 -0.88 -0.08 0.00 1.25 0.00 0.00 42.46 42.75 2kaw s ILE 17 CO 0.14 -0.25 1.23 -0.94 0.24 0.00 0.00 174.94 175.36 2kaw s SER 18 N 2.48 7.04 -0.27 4.36 1.04 -0.42 -4.89 113.70 123.04 2kaw s SER 18 Ca 0.10 2.23 -0.20 0.00 0.48 0.00 0.00 55.95 58.57 2kaw s SER 18 Cb -0.14 -2.60 -0.02 0.00 0.10 0.00 0.00 66.02 63.36 2kaw s SER 18 CO -0.23 -0.43 0.59 -0.63 0.98 0.00 0.00 173.24 173.53 2kaw s ILE 19 N 0.21 5.00 -0.29 -1.02 -1.09 -1.26 0.17 121.20 122.93 2kaw s ILE 19 Ca 0.55 0.99 -0.04 0.00 -2.23 0.00 0.00 60.65 59.92 2kaw s ILE 19 Cb -0.33 -3.91 0.03 0.00 -1.58 0.00 0.00 42.46 36.66 2kaw s ILE 19 CO 0.35 0.01 0.02 -0.69 -1.23 0.00 0.00 174.94 173.40 2kaw s VAL 20 N 2.46 3.39 -0.01 2.92 1.01 0.16 -4.89 120.40 125.43 2kaw s VAL 20 Ca 0.24 -1.00 -0.25 0.00 0.00 0.00 0.00 61.98 60.97 2kaw s VAL 20 Cb -0.15 -2.80 -0.04 0.00 0.00 0.00 0.00 36.38 33.38 2kaw s VAL 20 CO 0.09 0.05 0.79 -0.83 0.00 0.00 0.00 175.10 175.20 2kaw s GLY 21 N 1.38 2.75 -0.37 4.51 0.00 -1.26 -0.29 107.32 114.03 2kaw s GLY 21 Ca -0.00 0.28 -0.24 0.00 0.00 0.00 0.00 44.72 44.76 2kaw s GLY 21 CO -0.00 1.27 0.81 1.62 0.00 0.00 0.00 173.10 176.80 2kaw s GLN 22 N 0.54 3.75 0.41 2.90 0.74 0.11 -4.98 119.66 123.12 2kaw s GLN 22 Ca 0.41 0.34 0.02 0.00 0.05 0.00 0.00 55.36 56.18 2kaw s GLN 22 Cb -0.19 -3.82 -0.01 0.00 1.10 0.00 0.00 33.01 30.09 2kaw s GLN 22 CO 0.22 -0.89 0.60 -1.12 -0.55 0.00 0.00 175.29 173.55 2kaw s SER 23 N 1.87 5.90 0.00 6.67 0.01 -1.26 -3.03 113.70 123.86 2kaw s SER 23 Ca 0.33 0.13 -0.00 0.00 1.31 0.00 0.00 55.95 57.72 2kaw s SER 23 Cb -0.13 -1.45 0.00 0.00 0.21 0.00 0.00 66.02 64.65 2kaw s SER 23 CO 0.18 -0.59 0.01 -3.20 0.41 0.00 0.00 173.24 170.04 2kaw n ASN 24 N -1.92 -0.01 -0.21 2.44 2.85 -1.26 -4.90 115.26 112.26 2kaw n ASN 24 Ca 0.00 -1.00 -0.06 0.00 -0.11 0.00 0.00 54.58 53.41 2kaw n ASN 24 Cb 0.58 0.01 0.04 0.00 1.24 0.00 0.00 39.78 41.65 2kaw n ASN 24 CO 0.00 0.00 0.00 0.44 -2.11 0.00 0.00 177.26 175.59 2kaw h ASP 25 N 0.01 0.67 0.00 1.20 3.32 -2.04 -3.30 116.42 116.28 2kaw h ASP 25 Ca -0.00 -0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.03 2kaw h ASP 25 Cb 0.01 -0.16 0.00 0.00 0.22 0.00 0.00 39.33 39.39 2kaw h ASP 25 CO 0.00 0.48 0.00 0.54 -1.72 0.00 0.00 179.24 178.54 2kaw n ARG 26 N -4.68 0.00 0.00 3.56 5.12 -1.26 -5.02 116.66 114.38 2kaw n ARG 26 Ca 0.04 0.50 0.00 0.00 -1.93 0.00 0.00 57.85 56.46 2kaw n ARG 26 Cb 0.03 -1.06 0.00 0.00 -1.16 0.00 0.00 32.46 30.27 2kaw n ARG 26 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2kaw n GLY 27 N 1.63 1.31 1.61 -0.13 0.00 -1.25 -5.00 105.19 103.37 2kaw n GLY 27 Ca 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 45.96 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 5.62 -0.06 1.61 5.75 -1.26 -4.38 116.55 123.82 2kaw n ASP 28 Ca 0.00 -2.62 -0.09 0.00 -0.01 0.00 0.00 54.79 52.07 2kaw n ASP 28 Cb 0.00 -1.08 0.07 0.00 -1.03 0.00 0.00 41.12 39.08 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 2.87 0.79 0.00 6.12 0.00 -1.88 -3.50 103.07 107.47 2kaw h GLY 29 Ca 0.10 -0.76 0.00 0.00 0.00 0.00 0.00 47.33 46.67 2kaw h GLY 29 CO 0.26 0.69 0.00 0.61 0.00 0.00 0.00 176.54 178.09 2kaw n GLY 30 N -0.04 0.95 3.68 4.60 0.00 -1.24 -4.72 105.19 108.43 2kaw n GLY 30 Ca -0.01 -1.92 -0.35 0.00 0.00 0.00 0.00 46.02 43.74 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 -2.12 4.65 0.22 -0.61 -4.36 -1.26 0.07 121.20 117.80 2kaw s ILE 31 Ca 0.00 -0.10 0.10 0.00 -0.26 0.00 0.00 60.65 60.38 2kaw s ILE 31 Cb 0.00 -3.03 -0.05 0.00 1.25 0.00 0.00 42.46 40.63 2kaw s ILE 31 CO 0.00 0.54 -0.18 -0.31 0.24 0.00 0.00 174.94 175.24 2kaw s TYR 32 N -0.33 1.96 -0.37 1.37 1.51 0.60 -1.70 117.35 120.39 2kaw s TYR 32 Ca 0.08 -0.46 -0.29 0.00 -1.01 0.00 0.00 57.07 55.39 2kaw s TYR 32 Cb -0.12 -0.90 0.01 0.00 -0.11 0.00 0.00 41.96 40.84 2kaw s TYR 32 CO 0.02 0.49 1.32 0.42 -1.11 0.00 0.00 175.55 176.69 2kaw s ILE 33 N -2.58 4.06 0.00 2.71 -1.09 0.38 -0.67 121.20 124.01 2kaw s ILE 33 Ca 0.24 1.13 0.00 0.00 -2.23 0.00 0.00 60.65 59.79 2kaw s ILE 33 Cb -0.03 -4.25 0.00 0.00 -1.58 0.00 0.00 42.46 36.60 2kaw s ILE 33 CO 0.10 -0.67 0.25 0.61 -1.23 0.00 0.00 174.94 174.00 2kaw n GLY 34 N 4.71 -0.50 3.07 6.18 0.00 0.13 -0.83 105.19 117.95 2kaw n GLY 34 Ca 0.15 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 46.01 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 -1.97 1.12 -0.12 1.61 0.01 -1.25 -4.60 113.70 108.49 2kaw s SER 35 Ca 0.00 -0.42 -0.06 0.00 1.31 0.00 0.00 55.95 56.78 2kaw s SER 35 Cb 0.00 -0.04 -0.04 0.00 0.21 0.00 0.00 66.02 66.15 2kaw s SER 35 CO 0.00 -0.06 0.10 -0.63 0.41 0.00 0.00 173.24 173.06 2kaw s ILE 36 N -0.92 5.14 -0.15 1.44 1.01 -1.26 -1.30 121.20 125.16 2kaw s ILE 36 Ca -0.03 0.07 -0.04 0.00 0.00 0.00 0.00 60.65 60.66 2kaw s ILE 36 Cb -0.08 -3.23 -0.03 0.00 0.01 0.00 0.00 42.46 39.14 2kaw s ILE 36 CO 0.01 0.60 -0.04 -0.04 0.00 0.00 0.00 174.94 175.47 2kaw s MET 37 N -0.89 3.67 0.14 2.79 -1.94 0.83 -4.96 119.30 118.94 2kaw s MET 37 Ca 0.14 -0.52 -0.31 0.00 -1.71 0.00 0.00 55.69 53.28 2kaw s MET 37 Cb -0.12 -2.91 -0.09 0.00 2.01 0.00 0.00 34.83 33.73 2kaw s MET 37 CO 0.03 0.24 1.42 0.21 -0.01 0.00 0.00 175.02 176.91 2kaw s LYS 38 N 0.36 4.30 0.00 2.03 2.47 -1.26 -2.50 119.74 125.14 2kaw s LYS 38 Ca -0.04 2.14 0.00 0.00 -1.56 0.00 0.00 55.97 56.51 2kaw s LYS 38 Cb -0.14 -3.21 0.00 0.00 -1.46 0.00 0.00 37.83 33.01 2kaw s LYS 38 CO 0.03 -0.45 0.00 0.41 0.16 0.00 0.00 175.35 175.50 2kaw n GLY 39 N 3.34 1.57 3.91 5.54 0.00 -1.26 -5.09 105.19 113.20 2kaw n GLY 39 Ca 0.11 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.86 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 -2.12 1.63 0.39 -0.02 0.00 -1.04 -4.81 107.32 101.35 2kaw s GLY 40 Ca 0.00 -0.69 0.08 0.00 0.00 0.00 0.00 44.72 44.11 2kaw s GLY 40 CO 0.00 -0.32 1.95 0.00 0.00 0.00 0.00 173.10 174.73 2kaw h ALA 41 N -0.52 1.55 -0.01 3.20 0.00 -0.20 -2.16 119.26 121.12 2kaw h ALA 41 Ca -0.45 -0.15 -0.08 0.00 0.00 0.00 0.00 54.91 54.23 2kaw h ALA 41 Cb 1.28 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.95 2kaw h ALA 41 CO 0.62 0.33 -0.38 0.28 0.00 0.00 0.00 179.25 180.10 2kaw h VAL 42 N 0.37 1.28 0.00 0.00 2.07 -1.56 -2.06 116.25 116.35 2kaw h VAL 42 Ca 0.09 -1.32 0.00 0.00 0.82 0.00 0.00 66.70 66.28 2kaw h VAL 42 Cb 0.23 1.70 0.00 0.00 -1.52 0.00 0.00 31.29 31.70 2kaw h VAL 42 CO 0.00 0.38 0.00 0.00 0.02 0.00 0.00 177.57 177.97 2kaw n ALA 43 N -2.47 1.78 0.48 1.67 0.00 -0.81 -1.89 120.51 119.26 2kaw n ALA 43 Ca -0.02 -0.06 0.12 0.00 0.00 0.00 0.00 53.44 53.48 2kaw n ALA 43 Cb 0.42 -1.27 0.14 0.00 0.00 0.00 0.00 19.45 18.74 2kaw n ALA 43 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2kaw h ALA 44 N 2.59 0.58 -1.86 0.00 0.00 -1.39 -3.41 119.26 115.76 2kaw h ALA 44 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2kaw h ALA 44 Cb 0.29 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.08 2kaw h ALA 44 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 179.25 175.78 2kaw n ASP 45 N -2.24 0.00 0.00 0.00 -0.08 -0.79 -5.04 116.55 108.40 2kaw n ASP 45 Ca 0.03 0.03 0.00 0.00 -1.51 0.00 0.00 54.79 53.34 2kaw n ASP 45 Cb 0.46 -0.19 0.00 0.00 2.34 0.00 0.00 41.12 43.73 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 2.15 2.56 0.25 0.27 0.00 -1.12 -4.95 105.19 104.34 2kaw n GLY 46 Ca 0.00 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.13 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 1.01 0.00 -6.09 1.61 3.08 -1.96 -3.42 114.38 108.61 2kaw h ARG 47 Ca 0.00 0.00 -0.57 0.00 0.07 0.00 0.00 59.98 59.48 2kaw h ARG 47 Cb 0.00 0.00 -0.05 0.00 0.08 0.00 0.00 29.97 30.00 2kaw h ARG 47 CO 0.00 0.17 -0.01 0.42 -1.07 0.00 0.00 179.97 179.48 2kaw s ILE 48 N -3.99 4.90 0.13 2.04 1.01 -1.26 -5.08 121.20 118.96 2kaw s ILE 48 Ca -0.02 1.25 0.03 0.00 0.00 0.00 0.00 60.65 61.91 2kaw s ILE 48 Cb 0.12 -3.93 -0.04 0.00 0.01 0.00 0.00 42.46 38.62 2kaw s ILE 48 CO 0.61 0.42 -0.08 -1.83 0.00 0.00 0.00 174.94 174.06 2kaw s GLU 49 N -0.22 0.97 -0.23 2.79 -1.05 -1.26 -5.04 118.70 114.66 2kaw s GLU 49 Ca 0.31 -1.41 -0.28 0.00 -0.15 0.00 0.00 54.97 53.44 2kaw s GLU 49 Cb -0.18 -0.43 -0.04 0.00 -0.44 0.00 0.00 34.13 33.03 2kaw s GLU 49 CO 0.17 0.02 2.10 -2.14 0.95 0.00 0.00 175.26 176.36 2kaw s PRO 50 N -3.79 3.23 0.00 -4.83 0.02 -1.26 -2.04 135.00 126.33 2kaw s PRO 50 Ca 0.15 1.90 0.00 0.00 0.02 0.00 0.00 61.00 63.08 2kaw s PRO 50 Cb 0.04 -4.32 0.00 0.00 0.02 0.00 0.00 34.50 30.24 2kaw s PRO 50 CO -0.01 -1.99 0.00 0.41 -0.33 0.00 0.00 177.00 175.08 2kaw n GLY 51 N 5.61 1.27 3.77 0.52 0.00 -0.01 -4.98 105.19 111.36 2kaw n GLY 51 Ca 0.28 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.91 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 -0.92 6.47 -0.14 1.61 1.01 -0.87 -4.65 116.67 119.20 2kaw s ASP 52 Ca 0.00 2.48 -0.12 0.00 0.71 0.00 0.00 52.55 55.62 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 -0.72 0.25 -0.32 0.21 0.00 0.00 175.17 174.59 2kaw s MET 53 N -2.22 4.03 -0.30 8.23 -2.45 -0.99 -0.47 119.30 125.13 2kaw s MET 53 Ca 0.56 0.04 -0.24 0.00 -1.25 0.00 0.00 55.69 54.81 2kaw s MET 53 Cb -0.34 -3.35 0.00 0.00 1.25 0.00 0.00 34.83 32.39 2kaw s MET 53 CO 0.43 0.43 0.81 -0.51 1.05 0.00 0.00 175.02 177.23 2kaw s LEU 54 N -0.09 4.08 -0.01 4.11 1.43 -0.69 0.03 118.68 127.55 2kaw s LEU 54 Ca 0.16 0.73 -0.01 0.00 -1.03 0.00 0.00 54.13 53.98 2kaw s LEU 54 Cb -0.13 -3.11 -0.00 0.00 0.03 0.00 0.00 46.19 42.98 2kaw s LEU 54 CO 0.04 -0.61 -0.02 0.18 0.23 0.00 0.00 176.35 176.17 2kaw n LEU 55 N 6.21 0.13 -4.24 1.79 4.77 0.08 -4.65 117.00 121.09 2kaw n LEU 55 Ca 0.04 0.16 -0.30 0.00 -0.03 0.00 0.00 56.01 55.88 2kaw n LEU 55 Cb 0.48 -0.52 -0.16 0.00 -2.33 0.00 0.00 43.42 40.89 2kaw n LEU 55 CO 0.50 -0.49 -0.55 -1.58 -1.33 0.00 0.00 177.39 173.94 2kaw s GLN 56 N -1.11 2.15 -0.28 3.23 0.74 -1.23 0.14 119.66 123.30 2kaw s GLN 56 Ca -0.01 -0.83 0.00 0.00 0.05 0.00 0.00 55.36 54.57 2kaw s GLN 56 Cb 0.00 -1.92 0.08 0.00 1.10 0.00 0.00 33.01 32.27 2kaw s GLN 56 CO 0.02 0.41 0.04 0.08 -0.55 0.00 0.00 175.29 175.29 2kaw s VAL 57 N -0.29 1.33 -0.62 1.34 1.01 0.51 -0.93 120.40 122.75 2kaw s VAL 57 Ca 0.02 -1.46 -0.12 0.00 0.00 0.00 0.00 61.98 60.42 2kaw s VAL 57 Cb -0.11 -1.85 0.02 0.00 0.00 0.00 0.00 36.38 34.43 2kaw s VAL 57 CO 0.02 -0.44 0.65 0.59 0.00 0.00 0.00 175.10 175.91 2kaw n ASN 58 N 4.69 -6.75 0.00 3.32 4.13 -0.90 -2.97 115.26 116.78 2kaw n ASN 58 Ca -0.05 -0.13 0.00 0.00 1.68 0.00 0.00 54.58 56.08 2kaw n ASN 58 Cb 0.43 -3.83 0.00 0.00 -1.54 0.00 0.00 39.78 34.84 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 -1.28 0.00 -4.67 6.41 8.00 -1.26 -4.92 116.55 118.83 2kaw n ASP 59 Ca -0.06 0.00 -0.43 0.00 0.71 0.00 0.00 54.79 55.02 2kaw n ASP 59 Cb 0.57 0.00 -0.02 0.00 -0.02 0.00 0.00 41.12 41.65 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 0.00 4.29 -0.17 2.53 1.01 -1.16 -5.01 120.40 121.89 2kaw s VAL 60 Ca 0.00 1.58 -0.12 0.00 0.00 0.00 0.00 61.98 63.44 2kaw s VAL 60 Cb 0.00 -4.02 -0.05 0.00 0.00 0.00 0.00 36.38 32.31 2kaw s VAL 60 CO 0.00 -0.09 0.23 0.21 0.00 0.00 0.00 175.10 175.45 2kaw s ASN 61 N 1.77 6.36 0.00 3.32 2.47 -1.26 -0.36 114.94 127.24 2kaw s ASN 61 Ca 0.55 0.42 0.19 0.00 0.42 0.00 0.00 52.86 54.44 2kaw s ASN 61 Cb -0.22 -2.15 0.34 0.00 -1.45 0.00 0.00 41.25 37.77 2kaw s ASN 61 CO 0.17 0.14 1.28 0.49 -3.72 0.00 0.00 177.10 175.46 2kaw n PHE 62 N 3.47 0.39 0.07 0.43 3.72 0.12 -4.51 117.46 121.15 2kaw n PHE 62 Ca -0.14 -0.24 0.11 0.00 -0.05 0.00 0.00 57.45 57.14 2kaw n PHE 62 Cb 0.52 -0.00 0.58 0.00 -0.94 0.00 0.00 39.48 39.63 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 3.75 0.20 -0.42 -1.08 5.08 -1.85 -2.14 114.58 118.11 2kaw h GLU 63 Ca 0.00 -0.01 -0.30 0.00 -1.00 0.00 0.00 59.36 58.05 2kaw h GLU 63 Cb 0.87 -0.04 -0.22 0.00 0.50 0.00 0.00 28.75 29.85 2kaw h GLU 63 CO 0.00 0.13 -0.52 0.09 -1.00 0.00 0.00 179.01 177.71 2kaw n ASN 64 N -4.47 3.50 -4.37 1.42 3.02 -1.26 -5.02 115.26 108.07 2kaw n ASN 64 Ca 0.04 -3.82 -0.19 0.00 -0.03 0.00 0.00 54.58 50.58 2kaw n ASN 64 Cb 0.28 -0.48 -0.10 0.00 -0.61 0.00 0.00 39.78 38.86 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 -3.43 1.41 0.68 3.52 -1.94 -0.80 -5.14 119.30 113.59 2kaw s MET 65 Ca 0.46 -1.65 -0.11 0.00 -1.71 0.00 0.00 55.69 52.68 2kaw s MET 65 Cb 0.40 -1.17 -0.00 0.00 2.01 0.00 0.00 34.83 36.07 2kaw s MET 65 CO -0.01 0.16 1.06 -1.54 -0.01 0.00 0.00 175.02 174.67 2kaw s SER 66 N -3.36 5.49 0.34 3.03 1.04 -1.26 -4.84 113.70 114.14 2kaw s SER 66 Ca 0.25 1.61 0.02 0.00 0.48 0.00 0.00 55.95 58.31 2kaw s SER 66 Cb 0.00 -2.50 0.59 0.00 0.10 0.00 0.00 66.02 64.21 2kaw s SER 66 CO 0.09 -1.37 1.97 0.78 0.98 0.00 0.00 173.24 175.69 2kaw h ASN 67 N -0.58 0.72 -0.02 7.02 2.35 -1.93 0.10 115.58 123.23 2kaw h ASN 67 Ca -0.44 -0.05 -0.01 0.00 -0.55 0.00 0.00 56.30 55.26 2kaw h ASN 67 Cb 1.21 -0.18 -0.00 0.00 0.05 0.00 0.00 38.32 39.40 2kaw h ASN 67 CO 0.57 0.57 -0.01 0.44 -1.65 0.00 0.00 177.43 177.36 2kaw h ASP 68 N 0.83 0.05 -0.55 5.81 5.19 -1.97 -2.85 116.42 122.92 2kaw h ASP 68 Ca 0.21 -0.36 -0.08 0.00 -0.62 0.00 0.00 57.03 56.18 2kaw h ASP 68 Cb -0.00 -0.01 -0.02 0.00 0.18 0.00 0.00 39.33 39.47 2kaw h ASP 68 CO -0.04 0.40 0.03 0.44 -3.12 0.00 0.00 179.24 176.95 2kaw h ASP 69 N -0.31 0.96 -0.19 6.45 3.32 -1.86 -1.53 116.42 123.26 2kaw h ASP 69 Ca 0.01 -0.25 0.04 0.00 0.02 0.00 0.00 57.03 56.85 2kaw h ASP 69 Cb 0.38 -0.26 -0.04 0.00 0.22 0.00 0.00 39.33 39.63 2kaw h ASP 69 CO 0.00 1.00 -0.08 0.00 -1.72 0.00 0.00 179.24 178.44 2kaw h ALA 70 N 1.11 0.08 -0.43 3.45 0.00 -0.81 -1.33 119.26 121.32 2kaw h ALA 70 Ca 0.17 0.07 -0.10 0.00 0.00 0.00 0.00 54.91 55.05 2kaw h ALA 70 Cb 0.49 0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.46 2kaw h ALA 70 CO 0.02 -0.51 -0.15 0.28 0.00 0.00 0.00 179.25 178.89 2kaw h VAL 71 N -0.05 1.26 -0.06 0.00 2.07 -1.37 -2.15 116.25 115.95 2kaw h VAL 71 Ca 0.10 -1.25 0.03 0.00 0.82 0.00 0.00 66.70 66.40 2kaw h VAL 71 Cb 0.20 1.10 -0.04 0.00 -1.52 0.00 0.00 31.29 31.03 2kaw h VAL 71 CO -0.22 0.42 -0.15 0.03 0.02 0.00 0.00 177.57 177.68 2kaw h ARG 72 N 0.72 -0.21 -0.58 1.57 3.08 -0.60 0.12 114.38 118.49 2kaw h ARG 72 Ca 0.11 0.01 -0.09 0.00 0.07 0.00 0.00 59.98 60.09 2kaw h ARG 72 Cb 0.66 0.05 -0.02 0.00 0.08 0.00 0.00 29.97 30.73 2kaw h ARG 72 CO 0.05 -0.14 0.01 0.28 -1.07 0.00 0.00 179.97 179.10 2kaw h VAL 73 N -0.22 1.26 -0.97 2.04 2.07 -1.23 -2.82 116.25 116.38 2kaw h VAL 73 Ca 0.07 -1.11 0.03 0.00 0.82 0.00 0.00 66.70 66.50 2kaw h VAL 73 Cb 0.31 0.84 -0.05 0.00 -1.52 0.00 0.00 31.29 30.86 2kaw h VAL 73 CO -0.18 0.40 0.64 0.25 0.02 0.00 0.00 177.57 178.70 2kaw h LEU 74 N 0.90 1.08 -1.12 2.57 5.85 -0.95 -1.76 115.31 121.88 2kaw h LEU 74 Ca 0.17 -0.02 0.02 0.00 0.84 0.00 0.00 57.88 58.89 2kaw h LEU 74 Cb 0.53 -0.26 -0.05 0.00 0.37 0.00 0.00 40.66 41.26 2kaw h LEU 74 CO 0.03 0.75 0.59 0.03 -0.34 0.00 0.00 178.44 179.51 2kaw h ARG 75 N 1.26 1.15 -0.26 1.25 3.08 -0.51 0.35 114.38 120.69 2kaw h ARG 75 Ca 0.38 -0.07 -0.10 0.00 0.07 0.00 0.00 59.98 60.26 2kaw h ARG 75 Cb -0.05 -0.26 -0.01 0.00 0.08 0.00 0.00 29.97 29.74 2kaw h ARG 75 CO -0.10 0.76 -0.21 0.93 -1.07 0.00 0.00 179.97 180.28 2kaw h GLU 76 N 1.18 0.61 -0.41 0.04 4.39 -1.25 -1.59 114.58 117.55 2kaw h GLU 76 Ca 0.34 -0.30 -0.06 0.00 0.34 0.00 0.00 59.36 59.68 2kaw h GLU 76 Cb -0.08 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 28.56 2kaw h GLU 76 CO -0.09 0.89 0.02 0.82 -1.16 0.00 0.00 179.01 179.50 2kaw h ILE 77 N 0.33 1.26 -0.42 3.13 2.04 -0.84 -2.42 117.51 120.58 2kaw h ILE 77 Ca 0.05 -0.98 -0.04 0.00 1.00 0.00 0.00 64.86 64.88 2kaw h ILE 77 Cb 0.76 1.08 -0.02 0.00 -0.74 0.00 0.00 36.82 37.89 2kaw h ILE 77 CO 0.05 0.33 0.08 0.58 0.00 0.00 0.00 178.15 179.20 2kaw h VAL 78 N 0.56 1.20 -0.28 1.67 2.07 -0.31 -1.30 116.25 119.85 2kaw h VAL 78 Ca 0.12 -0.73 0.00 0.00 0.82 0.00 0.00 66.70 66.91 2kaw h VAL 78 Cb 0.45 0.79 0.00 0.00 -1.52 0.00 0.00 31.29 31.01 2kaw h VAL 78 CO 0.02 0.26 0.00 -1.20 0.02 0.00 0.00 177.57 176.67 2kaw n SER 79 N -4.30 1.52 -4.76 0.57 7.64 -0.60 -4.84 113.62 108.86 2kaw n SER 79 Ca 0.03 -2.00 -0.34 0.00 1.01 0.00 0.00 58.87 57.57 2kaw n SER 79 Cb 0.22 -0.19 -0.08 0.00 -1.01 0.00 0.00 64.21 63.15 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 -1.62 3.08 -0.23 1.43 2.00 -0.49 -5.04 119.66 118.79 2kaw s GLN 80 Ca 0.19 -0.41 -0.27 0.00 -2.00 0.00 0.00 55.36 52.87 2kaw s GLN 80 Cb 0.10 -2.88 0.00 0.00 0.80 0.00 0.00 33.01 31.04 2kaw s GLN 80 CO 0.13 0.69 0.94 0.95 -0.50 0.00 0.00 175.29 177.50 2kaw s THR 81 N -1.05 4.76 0.00 -0.34 -4.23 -1.26 -4.94 115.64 108.58 2kaw s THR 81 Ca 0.18 1.83 0.00 0.00 -1.18 0.00 0.00 61.69 62.52 2kaw s THR 81 Cb -0.12 -4.22 0.00 0.00 1.34 0.00 0.00 72.50 69.50 2kaw s THR 81 CO 0.08 -0.12 0.00 0.61 -0.54 0.00 0.00 174.62 174.65 2kaw n GLY 82 N 3.49 -0.13 3.59 3.99 0.00 -1.26 -5.09 105.19 109.78 2kaw n GLY 82 Ca 0.09 -1.33 -0.43 0.00 0.00 0.00 0.00 46.02 44.35 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 -1.93 3.55 -0.03 1.61 0.04 -1.26 -4.46 135.00 132.52 2kaw s PRO 83 Ca 0.00 0.55 -0.24 0.00 0.04 0.00 0.00 61.00 61.36 2kaw s PRO 83 Cb 0.00 -4.00 -0.04 0.00 0.04 0.00 0.00 34.50 30.49 2kaw s PRO 83 CO 0.00 -1.61 0.71 0.42 0.04 0.00 0.00 177.00 176.56 2kaw s ILE 84 N 5.13 4.96 -0.12 0.56 1.01 -1.25 -4.92 121.20 126.57 2kaw s ILE 84 Ca 0.51 1.47 0.02 0.00 0.00 0.00 0.00 60.65 62.66 2kaw s ILE 84 Cb -0.09 -4.05 0.01 0.00 0.01 0.00 0.00 42.46 38.34 2kaw s ILE 84 CO 0.29 0.29 -0.20 -0.44 0.00 0.00 0.00 174.94 174.89 2kaw s SER 85 N 0.50 2.83 -0.10 3.58 0.01 -1.26 -0.27 113.70 118.99 2kaw s SER 85 Ca 0.37 -0.53 0.00 0.00 1.31 0.00 0.00 55.95 57.11 2kaw s SER 85 Cb -0.18 -1.30 -0.03 0.00 0.21 0.00 0.00 66.02 64.72 2kaw s SER 85 CO 0.19 0.07 -0.09 -0.76 0.41 0.00 0.00 173.24 173.06 2kaw s LEU 86 N 0.80 3.02 -0.41 2.44 1.43 0.11 -2.12 118.68 123.95 2kaw s LEU 86 Ca -0.09 -0.14 -0.07 0.00 -1.03 0.00 0.00 54.13 52.81 2kaw s LEU 86 Cb -0.16 -1.67 0.09 0.00 0.03 0.00 0.00 46.19 44.48 2kaw s LEU 86 CO -0.00 0.27 0.22 -0.89 0.23 0.00 0.00 176.35 176.18 2kaw s THR 87 N -0.28 3.83 0.01 5.49 2.01 -0.11 -0.49 115.64 126.09 2kaw s THR 87 Ca 0.03 -1.60 -0.00 0.00 0.31 0.00 0.00 61.69 60.43 2kaw s THR 87 Cb -0.13 -3.41 -0.04 0.00 0.01 0.00 0.00 72.50 68.93 2kaw s THR 87 CO 0.03 -0.53 0.10 0.68 -0.69 0.00 0.00 174.62 174.20 2kaw s VAL 88 N 1.32 4.81 -0.31 3.82 -7.23 0.16 -0.74 120.40 122.24 2kaw s VAL 88 Ca 0.04 -0.42 -0.08 0.00 -1.81 0.00 0.00 61.98 59.71 2kaw s VAL 88 Cb -0.23 -3.23 0.01 0.00 0.56 0.00 0.00 36.38 33.49 2kaw s VAL 88 CO -0.00 0.31 0.11 0.00 -0.31 0.00 0.00 175.10 175.20 2kaw s ALA 89 N -1.25 3.12 -2.44 1.32 0.00 0.10 -0.14 121.76 122.47 2kaw s ALA 89 Ca 0.25 -1.49 0.20 0.00 0.00 0.00 0.00 51.96 50.91 2kaw s ALA 89 Cb -0.12 -2.24 0.15 0.00 0.00 0.00 0.00 23.12 20.91 2kaw s ALA 89 CO 0.16 -1.00 1.12 1.63 0.00 0.00 0.00 175.76 177.67