#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 5.10 -0.08 -1.44 1.01 -1.26 -0.03 121.20 124.50 2kaw s ILE 2 Ca 0.00 1.07 0.03 0.00 0.00 0.00 0.00 60.65 61.75 2kaw s ILE 2 Cb 0.00 -3.89 0.01 0.00 0.01 0.00 0.00 42.46 38.59 2kaw s ILE 2 CO 0.00 0.21 -0.17 -0.63 0.00 0.00 0.00 174.94 174.35 2kaw s ILE 3 N 1.34 1.47 -0.31 2.92 1.01 0.15 -4.99 121.20 122.80 2kaw s ILE 3 Ca 0.27 -0.68 -0.11 0.00 0.00 0.00 0.00 60.65 60.14 2kaw s ILE 3 Cb -0.16 -1.31 -0.02 0.00 0.01 0.00 0.00 42.46 40.98 2kaw s ILE 3 CO 0.11 0.43 0.18 -0.89 0.00 0.00 0.00 174.94 174.77 2kaw s THR 4 N 0.54 4.93 0.13 2.92 2.01 -1.26 -1.35 115.64 123.57 2kaw s THR 4 Ca -0.16 -0.23 0.09 0.00 0.31 0.00 0.00 61.69 61.70 2kaw s THR 4 Cb -0.17 -3.48 -0.04 0.00 0.01 0.00 0.00 72.50 68.83 2kaw s THR 4 CO 0.06 0.10 -0.17 0.68 -0.69 0.00 0.00 174.62 174.59 2kaw s VAL 5 N 1.68 2.89 -0.12 3.82 -7.23 0.40 -4.96 120.40 116.88 2kaw s VAL 5 Ca 0.06 -1.54 0.00 0.00 -1.81 0.00 0.00 61.98 58.69 2kaw s VAL 5 Cb -0.17 -2.35 -0.02 0.00 0.56 0.00 0.00 36.38 34.41 2kaw s VAL 5 CO 0.08 0.06 -0.13 0.28 -0.31 0.00 0.00 175.10 175.08 2kaw s THR 6 N -1.26 3.05 -0.11 5.32 -1.32 -1.26 -0.36 115.64 119.71 2kaw s THR 6 Ca 0.19 -0.67 -0.00 0.00 -1.21 0.00 0.00 61.69 60.00 2kaw s THR 6 Cb -0.10 -2.27 -0.02 0.00 -1.51 0.00 0.00 72.50 68.59 2kaw s THR 6 CO 0.11 0.53 -0.10 -0.76 -2.21 0.00 0.00 174.62 172.19 2kaw s LEU 7 N 0.23 2.93 -0.46 9.08 1.43 0.92 -5.01 118.68 127.79 2kaw s LEU 7 Ca -0.09 -0.20 -0.23 0.00 -1.03 0.00 0.00 54.13 52.58 2kaw s LEU 7 Cb -0.15 -1.65 0.03 0.00 0.03 0.00 0.00 46.19 44.44 2kaw s LEU 7 CO 0.05 0.24 0.81 0.21 0.23 0.00 0.00 176.35 177.89 2kaw s ASN 8 N -0.07 6.41 -0.14 2.29 3.84 -1.26 -2.98 114.94 123.03 2kaw s ASN 8 Ca -0.01 -0.14 0.10 0.00 0.21 0.00 0.00 52.86 53.02 2kaw s ASN 8 Cb -0.14 -2.39 0.54 0.00 -0.55 0.00 0.00 41.25 38.71 2kaw s ASN 8 CO 0.03 -0.96 1.34 0.23 -2.79 0.00 0.00 177.10 174.95 2kaw n MET 9 N 6.83 3.43 -0.04 0.43 2.81 -1.26 -3.13 117.12 126.18 2kaw n MET 9 Ca 0.02 -2.07 -0.22 0.00 -1.81 0.00 0.00 57.70 53.62 2kaw n MET 9 Cb 0.48 -1.93 -0.13 0.00 -0.71 0.00 0.00 33.22 30.93 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 0.49 0.69 0.04 0.03 -0.58 -1.26 -4.26 120.64 115.79 2kaw n GLU 10 Ca 0.18 0.35 0.11 0.00 -0.42 0.00 0.00 57.16 57.38 2kaw n GLU 10 Cb 0.82 -1.70 -0.02 0.00 -0.57 0.00 0.00 31.44 29.97 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 -3.78 0.46 -4.86 3.49 0.63 -1.26 -4.88 116.66 106.45 2kaw n ARG 11 Ca -0.34 -0.01 -0.32 0.00 -0.92 0.00 0.00 57.85 56.27 2kaw n ARG 11 Cb 0.93 -1.65 -0.13 0.00 0.45 0.00 0.00 32.46 32.06 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 -3.31 2.63 -0.28 -0.14 3.76 -1.18 -5.01 115.29 111.75 2kaw s HIS 12 Ca 0.00 -0.21 0.13 0.00 -0.15 0.00 0.00 55.06 54.83 2kaw s HIS 12 Cb 0.13 -1.57 -0.17 0.00 1.11 0.00 0.00 32.58 32.07 2kaw s HIS 12 CO 0.82 0.19 0.40 0.72 -0.85 0.00 0.00 174.74 176.02 2kaw n HIS 13 N 2.10 0.00 -4.08 1.40 8.25 -1.26 -4.34 115.22 117.29 2kaw n HIS 13 Ca -0.17 0.00 -0.08 0.00 -0.26 0.00 0.00 57.72 57.21 2kaw n HIS 13 Cb 0.52 -0.16 -0.10 0.00 1.12 0.00 0.00 29.99 31.36 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 -2.59 0.55 -0.02 4.41 -0.71 -1.26 -5.06 117.98 113.31 2kaw s PHE 14 Ca -0.00 -0.90 0.06 0.00 -1.04 0.00 0.00 56.93 55.05 2kaw s PHE 14 Cb 0.09 -0.38 -0.24 0.00 -1.21 0.00 0.00 43.02 41.28 2kaw s PHE 14 CO 0.53 -0.28 0.77 -0.07 -1.34 0.00 0.00 175.22 174.83 2kaw h LEU 15 N 3.48 0.12 -2.19 -1.99 3.38 -1.93 0.00 115.31 116.18 2kaw h LEU 15 Ca -0.34 -0.22 -0.16 0.00 0.09 0.00 0.00 57.88 57.25 2kaw h LEU 15 Cb 1.16 -0.04 0.10 0.00 0.09 0.00 0.00 40.66 41.97 2kaw h LEU 15 CO 0.59 1.19 -0.45 0.61 0.09 0.00 0.00 178.44 180.48 2kaw n GLY 16 N 1.59 -0.10 2.96 0.83 0.00 -1.26 -2.06 105.19 107.15 2kaw n GLY 16 Ca -0.16 -0.00 -0.06 0.00 0.00 0.00 0.00 46.02 45.80 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 -3.21 -0.71 0.01 -0.61 -4.36 -1.25 -0.09 121.20 110.99 2kaw s ILE 17 Ca 0.11 -0.19 -0.30 0.00 -0.26 0.00 0.00 60.65 60.01 2kaw s ILE 17 Cb -0.01 -0.96 -0.05 0.00 1.25 0.00 0.00 42.46 42.69 2kaw s ILE 17 CO 0.41 -0.19 1.21 -0.94 0.24 0.00 0.00 174.94 175.66 2kaw s SER 18 N 2.61 7.06 -0.05 4.36 1.04 -0.45 -4.87 113.70 123.41 2kaw s SER 18 Ca 0.11 1.94 -0.28 0.00 0.48 0.00 0.00 55.95 58.20 2kaw s SER 18 Cb -0.13 -2.57 -0.03 0.00 0.10 0.00 0.00 66.02 63.40 2kaw s SER 18 CO -0.26 -0.52 0.92 -0.63 0.98 0.00 0.00 173.24 173.72 2kaw s ILE 19 N 1.56 4.89 -0.23 -1.02 -1.09 -1.26 0.09 121.20 124.14 2kaw s ILE 19 Ca 0.58 1.90 -0.01 0.00 -2.23 0.00 0.00 60.65 60.89 2kaw s ILE 19 Cb -0.28 -4.25 0.03 0.00 -1.58 0.00 0.00 42.46 36.38 2kaw s ILE 19 CO 0.26 0.14 -0.10 -0.69 -1.23 0.00 0.00 174.94 173.32 2kaw s VAL 20 N 1.26 2.63 -0.08 2.92 1.01 -0.22 -4.86 120.40 123.06 2kaw s VAL 20 Ca 0.47 -1.04 -0.18 0.00 0.00 0.00 0.00 61.98 61.23 2kaw s VAL 20 Cb -0.19 -2.30 -0.05 0.00 0.00 0.00 0.00 36.38 33.84 2kaw s VAL 20 CO 0.23 0.27 0.49 -0.83 0.00 0.00 0.00 175.10 175.26 2kaw s GLY 21 N 1.30 2.46 -0.67 4.51 0.00 -1.26 -0.18 107.32 113.48 2kaw s GLY 21 Ca 0.01 -0.14 -0.21 0.00 0.00 0.00 0.00 44.72 44.37 2kaw s GLY 21 CO -0.06 0.68 0.91 1.62 0.00 0.00 0.00 173.10 176.25 2kaw s GLN 22 N 0.21 3.14 -0.41 2.90 0.74 0.89 -4.99 119.66 122.13 2kaw s GLN 22 Ca 0.27 -1.05 -0.07 0.00 0.05 0.00 0.00 55.36 54.56 2kaw s GLN 22 Cb -0.16 -4.30 0.09 0.00 1.10 0.00 0.00 33.01 29.74 2kaw s GLN 22 CO 0.12 -1.74 0.23 -1.12 -0.55 0.00 0.00 175.29 172.23 2kaw s SER 23 N 3.66 5.48 0.00 6.67 0.01 -1.26 -3.02 113.70 125.25 2kaw s SER 23 Ca 0.20 -1.65 0.00 0.00 1.31 0.00 0.00 55.95 55.82 2kaw s SER 23 Cb -0.18 -1.93 0.00 0.00 0.21 0.00 0.00 66.02 64.13 2kaw s SER 23 CO 0.07 -0.53 0.00 -3.20 0.41 0.00 0.00 173.24 169.99 2kaw n ASN 24 N 4.81 0.00 0.01 2.44 5.15 -1.26 -4.95 115.26 121.46 2kaw n ASN 24 Ca -0.08 0.00 -0.18 0.00 -0.60 0.00 0.00 54.58 53.72 2kaw n ASN 24 Cb 0.42 0.00 -0.11 0.00 -0.53 0.00 0.00 39.78 39.56 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 0.51 0.24 1.20 3.32 -2.03 -3.36 116.42 116.30 2kaw h ASP 25 Ca 0.00 -0.78 -0.01 0.00 0.02 0.00 0.00 57.03 56.26 2kaw h ASP 25 Cb 0.00 -0.16 0.00 0.00 0.22 0.00 0.00 39.33 39.40 2kaw h ASP 25 CO 0.00 1.22 -0.12 0.03 -1.72 0.00 0.00 179.24 178.66 2kaw h ARG 26 N -0.15 -0.32 0.00 3.56 2.47 -1.99 -3.48 114.38 114.47 2kaw h ARG 26 Ca -0.08 0.02 0.00 0.00 -1.26 0.00 0.00 59.98 58.66 2kaw h ARG 26 Cb 1.33 0.07 0.00 0.00 -1.65 0.00 0.00 29.97 29.72 2kaw h ARG 26 CO 0.12 -0.02 0.00 0.41 0.56 0.00 0.00 179.97 181.04 2kaw n GLY 27 N 0.63 1.28 2.30 0.04 0.00 -1.26 -4.99 105.19 103.18 2kaw n GLY 27 Ca -0.07 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.67 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 7.08 0.02 1.61 5.68 -1.26 -4.43 116.55 125.25 2kaw n ASP 28 Ca 0.00 -2.81 -0.21 0.00 -0.50 0.00 0.00 54.79 51.26 2kaw n ASP 28 Cb 0.00 -1.40 -0.14 0.00 -1.14 0.00 0.00 41.12 38.44 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 5.42 0.31 0.00 6.12 0.00 -1.91 -3.51 103.07 109.51 2kaw h GLY 29 Ca 0.53 -0.80 0.00 0.00 0.00 0.00 0.00 47.33 47.06 2kaw h GLY 29 CO 1.06 0.70 0.00 0.61 0.00 0.00 0.00 176.54 178.92 2kaw n GLY 30 N 1.74 2.02 3.66 4.60 0.00 -1.23 -4.83 105.19 111.14 2kaw n GLY 30 Ca -0.23 -2.02 -0.35 0.00 0.00 0.00 0.00 46.02 43.42 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 -2.28 4.24 0.22 -0.61 -4.36 -1.26 -0.08 121.20 117.07 2kaw s ILE 31 Ca 0.00 -0.27 0.10 0.00 -0.26 0.00 0.00 60.65 60.22 2kaw s ILE 31 Cb 0.00 -2.79 -0.05 0.00 1.25 0.00 0.00 42.46 40.88 2kaw s ILE 31 CO 0.00 0.59 -0.19 -0.31 0.24 0.00 0.00 174.94 175.27 2kaw s TYR 32 N -0.73 2.01 -0.24 1.37 1.51 0.74 -1.09 117.35 120.93 2kaw s TYR 32 Ca 0.11 -0.44 -0.29 0.00 -1.01 0.00 0.00 57.07 55.45 2kaw s TYR 32 Cb -0.12 -0.94 -0.02 0.00 -0.11 0.00 0.00 41.96 40.78 2kaw s TYR 32 CO 0.02 0.49 1.46 0.42 -1.11 0.00 0.00 175.55 176.83 2kaw s ILE 33 N -2.41 3.93 0.00 2.71 -1.09 0.60 -1.05 121.20 123.89 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 -0.04 -3.90 0.00 0.00 -1.58 0.00 0.00 42.46 36.93 2kaw s ILE 33 CO 0.10 -0.34 0.01 0.61 -1.23 0.00 0.00 174.94 174.09 2kaw n GLY 34 N 4.39 1.71 3.28 6.18 0.00 0.11 -1.15 105.19 119.71 2kaw n GLY 34 Ca 0.17 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.88 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 -1.03 3.00 -0.11 1.61 0.01 -1.24 -4.52 113.70 111.42 2kaw s SER 35 Ca 0.00 -0.48 -0.13 0.00 1.31 0.00 0.00 55.95 56.64 2kaw s SER 35 Cb 0.00 -0.62 -0.05 0.00 0.21 0.00 0.00 66.02 65.56 2kaw s SER 35 CO 0.00 0.27 0.31 -0.63 0.41 0.00 0.00 173.24 173.60 2kaw s ILE 36 N -0.34 5.26 -0.21 1.44 1.01 -1.26 -1.34 121.20 125.76 2kaw s ILE 36 Ca 0.02 0.59 -0.09 0.00 0.00 0.00 0.00 60.65 61.17 2kaw s ILE 36 Cb -0.12 -3.62 -0.04 0.00 0.01 0.00 0.00 42.46 38.68 2kaw s ILE 36 CO 0.02 0.47 0.10 -0.04 0.00 0.00 0.00 174.94 175.49 2kaw s MET 37 N -0.16 3.98 -0.05 2.79 -1.94 0.88 -4.95 119.30 119.84 2kaw s MET 37 Ca 0.18 -0.33 -0.30 0.00 -1.71 0.00 0.00 55.69 53.54 2kaw s MET 37 Cb -0.14 -3.35 -0.07 0.00 2.01 0.00 0.00 34.83 33.28 2kaw s MET 37 CO 0.07 0.15 1.93 0.21 -0.01 0.00 0.00 175.02 177.36 2kaw s LYS 38 N 0.76 3.94 0.00 2.03 2.47 -1.26 -1.97 119.74 125.71 2kaw s LYS 38 Ca 0.05 2.35 0.00 0.00 -1.56 0.00 0.00 55.97 56.81 2kaw s LYS 38 Cb -0.13 -4.16 0.00 0.00 -1.46 0.00 0.00 37.83 32.08 2kaw s LYS 38 CO 0.02 -1.17 0.00 0.41 0.16 0.00 0.00 175.35 174.77 2kaw n GLY 39 N 4.69 1.79 3.85 5.54 0.00 -1.26 -5.11 105.19 114.69 2kaw n GLY 39 Ca 0.21 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.93 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 -1.74 1.64 0.39 -0.02 0.00 -0.83 -4.85 107.32 101.90 2kaw s GLY 40 Ca 0.00 -0.23 0.06 0.00 0.00 0.00 0.00 44.72 44.55 2kaw s GLY 40 CO 0.00 0.14 2.05 0.00 0.00 0.00 0.00 173.10 175.28 2kaw h ALA 41 N -0.72 1.67 -0.20 3.20 0.00 -0.72 -1.63 119.26 120.85 2kaw h ALA 41 Ca -0.45 -0.03 -0.12 0.00 0.00 0.00 0.00 54.91 54.30 2kaw h ALA 41 Cb 1.24 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.83 2kaw h ALA 41 CO 0.62 0.30 -0.39 0.28 0.00 0.00 0.00 179.25 180.06 2kaw h VAL 42 N 0.63 1.30 0.00 0.00 2.07 -1.69 -2.35 116.25 116.22 2kaw h VAL 42 Ca 0.17 -1.54 0.00 0.00 0.82 0.00 0.00 66.70 66.16 2kaw h VAL 42 Cb -0.06 1.58 0.00 0.00 -1.52 0.00 0.00 31.29 31.28 2kaw h VAL 42 CO -0.04 0.48 0.00 0.00 0.02 0.00 0.00 177.57 178.03 2kaw n ALA 43 N -2.49 2.01 0.01 1.67 0.00 -0.63 -2.28 120.51 118.81 2kaw n ALA 43 Ca -0.01 -0.09 0.01 0.00 0.00 0.00 0.00 53.44 53.35 2kaw n ALA 43 Cb 0.50 -1.32 -0.10 0.00 0.00 0.00 0.00 19.45 18.53 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 -1.34 2.02 -0.31 0.00 0.00 -0.89 -4.61 120.51 115.39 2kaw n ALA 44 Ca 0.08 -0.62 0.00 0.00 0.00 0.00 0.00 53.44 52.90 2kaw n ALA 44 Cb 0.18 -0.84 0.00 0.00 0.00 0.00 0.00 19.45 18.78 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 -2.78 0.00 0.00 0.00 2.03 -0.96 -5.02 116.55 109.82 2kaw n ASP 45 Ca -0.11 0.40 0.00 0.00 0.52 0.00 0.00 54.79 55.60 2kaw n ASP 45 Cb 0.83 -0.35 0.00 0.00 -0.72 0.00 0.00 41.12 40.88 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 1.82 0.84 0.09 0.27 0.00 -1.21 -4.97 105.19 102.02 2kaw n GLY 46 Ca 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.95 2kaw n GLY 46 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2kaw n ARG 47 N -0.79 0.65 -3.19 1.61 1.74 -1.26 -4.90 116.66 110.52 2kaw n ARG 47 Ca 0.00 0.18 -0.39 0.00 -0.77 0.00 0.00 57.85 56.87 2kaw n ARG 47 Cb 0.00 -1.71 -0.06 0.00 -1.02 0.00 0.00 32.46 29.67 2kaw n ARG 47 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 2kaw s ILE 48 N -2.67 4.77 0.08 0.55 1.01 -1.26 -5.07 121.20 118.61 2kaw s ILE 48 Ca -0.06 1.31 -0.02 0.00 0.00 0.00 0.00 60.65 61.89 2kaw s ILE 48 Cb 0.08 -3.96 -0.04 0.00 0.01 0.00 0.00 42.46 38.56 2kaw s ILE 48 CO 0.83 0.48 0.02 -1.83 0.00 0.00 0.00 174.94 174.44 2kaw s GLU 49 N -0.63 0.75 -0.35 2.79 -1.05 -1.26 -4.98 118.70 113.97 2kaw s GLU 49 Ca 0.31 -1.28 -0.29 0.00 -0.15 0.00 0.00 54.97 53.57 2kaw s GLU 49 Cb -0.19 0.23 -0.07 0.00 -0.44 0.00 0.00 34.13 33.66 2kaw s GLU 49 CO 0.19 -0.18 2.29 -2.30 0.95 0.00 0.00 175.26 176.22 2kaw n PRO 50 N 0.02 1.46 0.00 -4.83 -0.02 -1.26 -1.81 135.00 128.56 2kaw n PRO 50 Ca -0.11 0.32 0.00 0.00 -2.02 0.00 0.00 63.50 61.69 2kaw n PRO 50 Cb 0.62 -3.08 0.00 0.00 -0.02 0.00 0.00 33.50 31.02 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 6.02 1.24 3.76 -1.23 0.00 -0.30 -4.99 105.19 109.69 2kaw n GLY 51 Ca 0.35 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.97 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 -0.40 6.79 -0.00 1.61 1.01 -0.75 -4.66 116.67 120.27 2kaw s ASP 52 Ca 0.00 2.62 -0.18 0.00 0.71 0.00 0.00 52.55 55.70 2kaw s ASP 52 Cb 0.00 -2.64 -0.06 0.00 1.01 0.00 0.00 42.92 41.24 2kaw s ASP 52 CO 0.00 -0.55 0.50 -0.32 0.21 0.00 0.00 175.17 175.01 2kaw s MET 53 N -1.21 4.15 -0.35 8.23 -2.45 -0.56 -0.29 119.30 126.82 2kaw s MET 53 Ca 0.52 0.57 -0.21 0.00 -1.25 0.00 0.00 55.69 55.32 2kaw s MET 53 Cb -0.39 -3.29 0.00 0.00 1.25 0.00 0.00 34.83 32.40 2kaw s MET 53 CO 0.48 0.52 0.66 -0.51 1.05 0.00 0.00 175.02 177.22 2kaw s LEU 54 N -0.61 4.21 0.00 4.11 1.43 -0.25 0.10 118.68 127.67 2kaw s LEU 54 Ca 0.27 0.24 0.00 0.00 -1.03 0.00 0.00 54.13 53.61 2kaw s LEU 54 Cb -0.17 -2.84 0.00 0.00 0.03 0.00 0.00 46.19 43.21 2kaw s LEU 54 CO 0.15 -0.60 0.00 0.18 0.23 0.00 0.00 176.35 176.31 2kaw n LEU 55 N 6.08 0.33 -4.52 1.79 4.77 -0.42 -4.57 117.00 120.45 2kaw n LEU 55 Ca -0.00 0.01 -0.34 0.00 -0.03 0.00 0.00 56.01 55.65 2kaw n LEU 55 Cb 0.49 -0.06 -0.12 0.00 -2.33 0.00 0.00 43.42 41.40 2kaw n LEU 55 CO 0.49 -0.06 -0.37 -1.58 -1.33 0.00 0.00 177.39 174.54 2kaw s GLN 56 N -0.12 3.23 -0.33 3.23 0.74 -1.21 -0.49 119.66 124.70 2kaw s GLN 56 Ca 0.00 -0.55 0.01 0.00 0.05 0.00 0.00 55.36 54.87 2kaw s GLN 56 Cb 0.00 -2.74 0.10 0.00 1.10 0.00 0.00 33.01 31.48 2kaw s GLN 56 CO 0.00 0.43 0.11 0.08 -0.55 0.00 0.00 175.29 175.36 2kaw s VAL 57 N -0.17 1.26 -0.61 1.34 1.01 -0.10 -0.94 120.40 122.18 2kaw s VAL 57 Ca 0.02 -1.76 -0.02 0.00 0.00 0.00 0.00 61.98 60.23 2kaw s VAL 57 Cb -0.13 -1.93 0.00 0.00 0.00 0.00 0.00 36.38 34.32 2kaw s VAL 57 CO 0.03 -0.69 0.60 0.59 0.00 0.00 0.00 175.10 175.63 2kaw n ASN 58 N 4.55 -7.07 0.00 3.32 4.13 -0.74 -3.77 115.26 115.67 2kaw n ASN 58 Ca 0.01 -0.00 0.00 0.00 1.68 0.00 0.00 54.58 56.27 2kaw n ASN 58 Cb 0.41 -4.77 0.00 0.00 -1.54 0.00 0.00 39.78 33.88 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 -1.52 0.00 -4.72 6.41 8.00 -1.26 -4.92 116.55 118.55 2kaw n ASP 59 Ca 0.01 0.00 -0.42 0.00 0.71 0.00 0.00 54.79 55.09 2kaw n ASP 59 Cb 0.49 0.00 -0.03 0.00 -0.02 0.00 0.00 41.12 41.56 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 3.23 -0.16 2.53 -7.23 -1.25 -5.01 120.40 112.51 2kaw s VAL 60 Ca 0.00 0.89 -0.05 0.00 -1.81 0.00 0.00 61.98 61.00 2kaw s VAL 60 Cb 0.00 -3.57 -0.04 0.00 0.56 0.00 0.00 36.38 33.34 2kaw s VAL 60 CO 0.00 0.07 0.02 0.21 -0.31 0.00 0.00 175.10 175.10 2kaw s ASN 61 N 1.06 5.34 0.00 4.85 2.47 -1.26 -0.92 114.94 126.47 2kaw s ASN 61 Ca 0.65 0.04 0.23 0.00 0.42 0.00 0.00 52.86 54.20 2kaw s ASN 61 Cb -0.38 -1.83 0.49 0.00 -1.45 0.00 0.00 41.25 38.08 2kaw s ASN 61 CO 0.31 0.22 1.44 0.49 -3.72 0.00 0.00 177.10 175.84 2kaw n PHE 62 N 3.24 0.63 -0.21 0.43 3.72 0.36 -4.45 117.46 121.17 2kaw n PHE 62 Ca -0.17 -0.31 0.12 0.00 -0.05 0.00 0.00 57.45 57.04 2kaw n PHE 62 Cb 0.53 0.00 0.43 0.00 -0.94 0.00 0.00 39.48 39.49 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 4.47 0.57 -2.04 -1.08 5.08 -1.87 -2.62 114.58 117.09 2kaw h GLU 63 Ca 0.00 -0.03 -0.60 0.00 -1.00 0.00 0.00 59.36 57.73 2kaw h GLU 63 Cb 0.99 -0.13 -0.41 0.00 0.50 0.00 0.00 28.75 29.70 2kaw h GLU 63 CO 0.00 0.38 -0.60 -1.71 -1.00 0.00 0.00 179.01 176.08 2kaw n ASN 64 N -4.51 4.68 -4.00 1.42 5.15 -1.26 -5.03 115.26 111.71 2kaw n ASN 64 Ca 0.15 -3.70 -0.10 0.00 -0.60 0.00 0.00 54.58 50.33 2kaw n ASN 64 Cb 0.45 -0.55 -0.07 0.00 -0.53 0.00 0.00 39.78 39.07 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 -3.53 1.17 0.64 1.20 -1.94 -0.99 -5.16 119.30 110.70 2kaw s MET 65 Ca 0.48 -1.24 -0.14 0.00 -1.71 0.00 0.00 55.69 53.08 2kaw s MET 65 Cb 0.32 0.36 -0.01 0.00 2.01 0.00 0.00 34.83 37.51 2kaw s MET 65 CO -0.16 -0.42 1.06 -1.54 -0.01 0.00 0.00 175.02 173.95 2kaw s SER 66 N -3.00 5.51 0.46 3.03 1.04 -1.26 -4.87 113.70 114.61 2kaw s SER 66 Ca 0.20 1.76 0.14 0.00 0.48 0.00 0.00 55.95 58.53 2kaw s SER 66 Cb 0.04 -2.52 1.06 0.00 0.10 0.00 0.00 66.02 64.69 2kaw s SER 66 CO 0.02 -1.36 2.04 0.78 0.98 0.00 0.00 173.24 175.71 2kaw h ASN 67 N -0.09 0.07 0.01 7.02 2.35 -1.93 -0.57 115.58 122.43 2kaw h ASN 67 Ca -0.46 -0.01 -0.00 0.00 -0.55 0.00 0.00 56.30 55.29 2kaw h ASN 67 Cb 1.22 -0.02 0.00 0.00 0.05 0.00 0.00 38.32 39.57 2kaw h ASN 67 CO 0.56 0.16 -0.00 0.44 -1.65 0.00 0.00 177.43 176.94 2kaw h ASP 68 N 0.07 -0.01 -0.38 5.81 5.19 -1.97 -3.14 116.42 121.99 2kaw h ASP 68 Ca 0.02 -0.72 -0.02 0.00 -0.62 0.00 0.00 57.03 55.69 2kaw h ASP 68 Cb 0.19 0.00 -0.02 0.00 0.18 0.00 0.00 39.33 39.68 2kaw h ASP 68 CO 0.01 0.73 0.20 0.44 -3.12 0.00 0.00 179.24 177.49 2kaw h ASP 69 N -0.75 0.52 -0.42 6.45 3.32 -1.88 -0.64 116.42 123.02 2kaw h ASP 69 Ca -0.00 -0.04 0.04 0.00 0.02 0.00 0.00 57.03 57.05 2kaw h ASP 69 Cb 0.73 -0.13 -0.04 0.00 0.22 0.00 0.00 39.33 40.11 2kaw h ASP 69 CO 0.00 0.45 0.19 0.00 -1.72 0.00 0.00 179.24 178.16 2kaw h ALA 70 N 1.63 0.52 -0.20 3.45 0.00 -1.16 -1.01 119.26 122.49 2kaw h ALA 70 Ca 0.15 0.03 -0.16 0.00 0.00 0.00 0.00 54.91 54.93 2kaw h ALA 70 Cb 0.07 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 2kaw h ALA 70 CO -0.02 -0.18 -0.53 0.28 0.00 0.00 0.00 179.25 178.80 2kaw h VAL 71 N 0.39 1.32 -0.16 0.00 2.07 -1.37 -2.57 116.25 115.92 2kaw h VAL 71 Ca 0.19 -1.76 0.03 0.00 0.82 0.00 0.00 66.70 65.98 2kaw h VAL 71 Cb 0.12 1.73 -0.03 0.00 -1.52 0.00 0.00 31.29 31.60 2kaw h VAL 71 CO -0.15 0.55 -0.02 0.03 0.02 0.00 0.00 177.57 178.00 2kaw h ARG 72 N 0.44 0.03 -0.51 1.57 3.08 -0.47 0.16 114.38 118.68 2kaw h ARG 72 Ca 0.01 -0.00 -0.10 0.00 0.07 0.00 0.00 59.98 59.97 2kaw h ARG 72 Cb 1.06 -0.01 -0.02 0.00 0.08 0.00 0.00 29.97 31.09 2kaw h ARG 72 CO 0.10 0.02 -0.07 0.28 -1.07 0.00 0.00 179.97 179.23 2kaw h VAL 73 N 0.03 1.26 -0.80 2.04 2.07 -1.22 -2.75 116.25 116.88 2kaw h VAL 73 Ca 0.08 -1.17 0.00 0.00 0.82 0.00 0.00 66.70 66.43 2kaw h VAL 73 Cb 0.10 0.93 -0.04 0.00 -1.52 0.00 0.00 31.29 30.77 2kaw h VAL 73 CO -0.14 0.41 0.50 0.25 0.02 0.00 0.00 177.57 178.61 2kaw h LEU 74 N 0.83 0.94 -0.97 2.57 5.85 -1.00 -2.11 115.31 121.43 2kaw h LEU 74 Ca 0.14 -0.05 0.06 0.00 0.84 0.00 0.00 57.88 58.87 2kaw h LEU 74 Cb 0.58 -0.24 -0.06 0.00 0.37 0.00 0.00 40.66 41.31 2kaw h LEU 74 CO 0.04 0.71 0.62 0.03 -0.34 0.00 0.00 178.44 179.50 2kaw h ARG 75 N 1.09 1.12 -0.28 1.25 3.08 -0.41 0.20 114.38 120.44 2kaw h ARG 75 Ca 0.29 -0.07 -0.03 0.00 0.07 0.00 0.00 59.98 60.24 2kaw h ARG 75 Cb -0.07 -0.25 -0.01 0.00 0.08 0.00 0.00 29.97 29.71 2kaw h ARG 75 CO -0.06 0.74 0.04 0.93 -1.07 0.00 0.00 179.97 180.55 2kaw h GLU 76 N 1.16 0.47 -0.51 0.04 4.39 -1.20 -0.50 114.58 118.43 2kaw h GLU 76 Ca 0.41 -0.13 -0.11 0.00 0.34 0.00 0.00 59.36 59.87 2kaw h GLU 76 Cb 0.11 -0.05 -0.02 0.00 -0.10 0.00 0.00 28.75 28.69 2kaw h GLU 76 CO -0.16 0.58 -0.11 0.82 -1.16 0.00 0.00 179.01 178.99 2kaw h ILE 77 N 0.28 1.27 -0.11 3.13 2.04 -0.91 -2.61 117.51 120.59 2kaw h ILE 77 Ca 0.08 -1.25 -0.08 0.00 1.00 0.00 0.00 64.86 64.61 2kaw h ILE 77 Cb 0.35 1.03 -0.01 0.00 -0.74 0.00 0.00 36.82 37.44 2kaw h ILE 77 CO 0.01 0.44 -0.31 0.58 0.00 0.00 0.00 178.15 178.87 2kaw h VAL 78 N 0.83 1.26 -0.02 1.67 2.07 -0.53 -2.30 116.25 119.23 2kaw h VAL 78 Ca 0.13 -1.24 0.00 0.00 0.82 0.00 0.00 66.70 66.41 2kaw h VAL 78 Cb 0.67 1.52 0.00 0.00 -1.52 0.00 0.00 31.29 31.95 2kaw h VAL 78 CO 0.05 0.37 0.00 -1.20 0.02 0.00 0.00 177.57 176.81 2kaw n SER 79 N -4.12 0.96 -4.93 0.57 7.64 -0.20 -4.88 113.62 108.66 2kaw n SER 79 Ca -0.01 -1.36 -0.25 0.00 1.01 0.00 0.00 58.87 58.26 2kaw n SER 79 Cb 0.40 -0.01 0.01 0.00 -1.01 0.00 0.00 64.21 63.59 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 2.28 -0.12 1.43 2.00 -0.87 -5.06 119.66 117.35 2kaw s GLN 80 Ca 0.40 -1.92 -0.02 0.00 -2.00 0.00 0.00 55.36 51.82 2kaw s GLN 80 Cb 0.20 -2.22 -0.03 0.00 0.80 0.00 0.00 33.01 31.76 2kaw s GLN 80 CO 0.33 -0.64 -0.02 0.95 -0.50 0.00 0.00 175.29 175.41 2kaw s THR 81 N -2.73 4.10 -5.00 -0.34 -4.23 -1.26 -5.00 115.64 101.18 2kaw s THR 81 Ca 0.40 -0.31 0.00 0.00 -1.18 0.00 0.00 61.69 60.61 2kaw s THR 81 Cb -0.03 -2.75 0.00 0.00 1.34 0.00 0.00 72.50 71.06 2kaw s THR 81 CO 0.25 0.55 0.00 0.61 -0.54 0.00 0.00 174.62 175.49 2kaw n GLY 82 N 2.76 -0.85 3.70 3.99 0.00 -1.26 -5.10 105.19 108.43 2kaw n GLY 82 Ca -0.18 -1.64 -0.42 0.00 0.00 0.00 0.00 46.02 43.79 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 -1.55 4.47 -0.27 1.61 0.04 -1.26 -4.50 135.00 133.54 2kaw s PRO 83 Ca 0.00 1.29 -0.12 0.00 0.04 0.00 0.00 61.00 62.21 2kaw s PRO 83 Cb 0.00 -3.49 -0.05 0.00 0.04 0.00 0.00 34.50 31.00 2kaw s PRO 83 CO 0.00 -0.14 0.22 0.42 0.04 0.00 0.00 177.00 177.54 2kaw s ILE 84 N 1.38 5.29 -0.25 0.56 1.01 -1.16 -4.98 121.20 123.06 2kaw s ILE 84 Ca 0.47 0.24 -0.04 0.00 0.00 0.00 0.00 60.65 61.32 2kaw s ILE 84 Cb -0.19 -3.55 0.01 0.00 0.01 0.00 0.00 42.46 38.73 2kaw s ILE 84 CO 0.22 0.24 -0.01 -0.44 0.00 0.00 0.00 174.94 174.95 2kaw s SER 85 N 1.67 4.55 -0.17 3.58 0.01 -1.26 -0.06 113.70 122.03 2kaw s SER 85 Ca 0.08 -0.61 -0.05 0.00 1.31 0.00 0.00 55.95 56.69 2kaw s SER 85 Cb -0.16 -1.76 -0.03 0.00 0.21 0.00 0.00 66.02 64.28 2kaw s SER 85 CO 0.10 -0.10 -0.01 -0.76 0.41 0.00 0.00 173.24 172.88 2kaw s LEU 86 N 1.44 3.35 -0.57 2.44 1.43 0.52 -1.80 118.68 125.50 2kaw s LEU 86 Ca 0.03 -0.10 -0.07 0.00 -1.03 0.00 0.00 54.13 52.96 2kaw s LEU 86 Cb -0.16 -1.82 0.15 0.00 0.03 0.00 0.00 46.19 44.39 2kaw s LEU 86 CO -0.02 0.15 0.42 -0.89 0.23 0.00 0.00 176.35 176.24 2kaw s THR 87 N 0.47 4.11 0.04 5.49 2.01 -0.12 -0.45 115.64 127.19 2kaw s THR 87 Ca -0.02 -2.33 -0.02 0.00 0.31 0.00 0.00 61.69 59.64 2kaw s THR 87 Cb -0.14 -3.68 -0.04 0.00 0.01 0.00 0.00 72.50 68.65 2kaw s THR 87 CO 0.02 -0.84 0.22 0.68 -0.69 0.00 0.00 174.62 174.02 2kaw s VAL 88 N 0.67 5.37 -0.31 3.82 -7.23 -0.45 -1.30 120.40 120.96 2kaw s VAL 88 Ca 0.12 -0.24 -0.06 0.00 -1.81 0.00 0.00 61.98 59.99 2kaw s VAL 88 Cb -0.21 -3.60 0.03 0.00 0.56 0.00 0.00 36.38 33.15 2kaw s VAL 88 CO -0.03 0.20 0.07 0.00 -0.31 0.00 0.00 175.10 175.03 2kaw s ALA 89 N -1.46 3.01 -2.73 1.32 0.00 0.12 -0.67 121.76 121.34 2kaw s ALA 89 Ca 0.33 -1.60 0.22 0.00 0.00 0.00 0.00 51.96 50.91 2kaw s ALA 89 Cb -0.13 -2.15 0.17 0.00 0.00 0.00 0.00 23.12 21.02 2kaw s ALA 89 CO 0.24 -1.12 1.19 1.63 0.00 0.00 0.00 175.76 177.71