#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 5.00 -0.08 -1.44 1.01 -1.26 -0.39 121.20 124.03 2kaw s ILE 2 Ca 0.00 1.17 0.04 0.00 0.00 0.00 0.00 60.65 61.86 2kaw s ILE 2 Cb 0.00 -3.94 -0.01 0.00 0.01 0.00 0.00 42.46 38.52 2kaw s ILE 2 CO 0.00 0.06 -0.22 -0.63 0.00 0.00 0.00 174.94 174.15 2kaw s ILE 3 N 2.24 2.27 -0.36 2.92 1.01 0.28 -4.97 121.20 124.59 2kaw s ILE 3 Ca 0.28 -0.97 -0.11 0.00 0.00 0.00 0.00 60.65 59.85 2kaw s ILE 3 Cb -0.16 -1.86 0.02 0.00 0.01 0.00 0.00 42.46 40.47 2kaw s ILE 3 CO 0.09 0.56 0.20 -0.89 0.00 0.00 0.00 174.94 174.90 2kaw s THR 4 N 0.07 4.65 -0.00 2.92 2.01 -1.26 -0.96 115.64 123.07 2kaw s THR 4 Ca -0.10 -0.71 0.01 0.00 0.31 0.00 0.00 61.69 61.21 2kaw s THR 4 Cb -0.16 -3.53 -0.04 0.00 0.01 0.00 0.00 72.50 68.79 2kaw s THR 4 CO 0.06 -0.15 -0.00 0.68 -0.69 0.00 0.00 174.62 174.52 2kaw s VAL 5 N 1.58 4.14 -0.13 3.82 -7.23 0.33 -4.94 120.40 117.97 2kaw s VAL 5 Ca 0.03 -0.60 -0.05 0.00 -1.81 0.00 0.00 61.98 59.55 2kaw s VAL 5 Cb -0.19 -2.84 -0.04 0.00 0.56 0.00 0.00 36.38 33.87 2kaw s VAL 5 CO 0.07 0.38 0.05 0.28 -0.31 0.00 0.00 175.10 175.57 2kaw s THR 6 N -1.08 4.73 -0.07 5.32 -1.32 -1.26 -0.44 115.64 121.53 2kaw s THR 6 Ca 0.19 -0.08 0.05 0.00 -1.21 0.00 0.00 61.69 60.65 2kaw s THR 6 Cb -0.11 -3.06 -0.01 0.00 -1.51 0.00 0.00 72.50 67.81 2kaw s THR 6 CO 0.10 0.56 -0.23 -0.76 -2.21 0.00 0.00 174.62 172.08 2kaw s LEU 7 N -0.48 2.03 -0.33 9.08 1.43 -0.26 -4.99 118.68 125.16 2kaw s LEU 7 Ca 0.10 -0.49 -0.20 0.00 -1.03 0.00 0.00 54.13 52.51 2kaw s LEU 7 Cb -0.12 -1.29 -0.01 0.00 0.03 0.00 0.00 46.19 44.81 2kaw s LEU 7 CO 0.02 0.20 0.60 0.21 0.23 0.00 0.00 176.35 177.61 2kaw s ASN 8 N 0.03 6.44 -0.00 2.29 3.84 -1.26 -2.80 114.94 123.48 2kaw s ASN 8 Ca -0.08 0.27 0.18 0.00 0.21 0.00 0.00 52.86 53.44 2kaw s ASN 8 Cb -0.14 -2.31 0.53 0.00 -0.55 0.00 0.00 41.25 38.77 2kaw s ASN 8 CO 0.05 -0.50 1.44 0.23 -2.79 0.00 0.00 177.10 175.53 2kaw n MET 9 N 5.89 2.40 0.11 0.43 2.81 -1.26 -3.67 117.12 123.82 2kaw n MET 9 Ca -0.02 -2.16 -0.20 0.00 -1.81 0.00 0.00 57.70 53.51 2kaw n MET 9 Cb 0.49 -1.47 -0.15 0.00 -0.71 0.00 0.00 33.22 31.38 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 3.51 0.39 -0.33 0.03 4.39 -1.92 -3.32 114.58 117.33 2kaw h GLU 10 Ca 0.00 -0.66 0.00 0.00 0.34 0.00 0.00 59.36 59.04 2kaw h GLU 10 Cb 0.81 0.25 0.00 0.00 -0.10 0.00 0.00 28.75 29.70 2kaw h GLU 10 CO 0.00 1.30 0.00 -2.13 -1.16 0.00 0.00 179.01 177.02 2kaw n ARG 11 N -3.60 2.94 -3.90 2.33 0.63 -1.26 -4.95 116.66 108.85 2kaw n ARG 11 Ca -0.14 -2.39 -0.14 0.00 -0.92 0.00 0.00 57.85 54.25 2kaw n ARG 11 Cb 1.06 -1.52 -0.15 0.00 0.45 0.00 0.00 32.46 32.31 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 -1.73 0.15 -0.14 -0.14 3.76 -1.24 -5.03 115.29 110.91 2kaw s HIS 12 Ca 0.32 0.02 0.17 0.00 -0.15 0.00 0.00 55.06 55.42 2kaw s HIS 12 Cb 0.21 -0.20 -0.24 0.00 1.11 0.00 0.00 32.58 33.47 2kaw s HIS 12 CO 0.14 -0.05 0.35 0.72 -0.85 0.00 0.00 174.74 175.04 2kaw n HIS 13 N 3.59 0.35 -4.19 1.40 8.25 -1.26 -4.53 115.22 118.83 2kaw n HIS 13 Ca -0.20 0.12 -0.11 0.00 -0.26 0.00 0.00 57.72 57.27 2kaw n HIS 13 Cb 0.55 -1.00 -0.10 0.00 1.12 0.00 0.00 29.99 30.56 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 -2.69 1.02 -0.05 4.41 -0.71 -1.26 -5.04 117.98 113.66 2kaw s PHE 14 Ca -0.08 -1.13 0.00 0.00 -1.04 0.00 0.00 56.93 54.69 2kaw s PHE 14 Cb 0.08 -0.58 -0.26 0.00 -1.21 0.00 0.00 43.02 41.05 2kaw s PHE 14 CO 0.84 -0.37 0.62 -0.07 -1.34 0.00 0.00 175.22 174.90 2kaw h LEU 15 N 2.79 0.29 -2.08 -1.99 3.38 -1.93 0.11 115.31 115.87 2kaw h LEU 15 Ca -0.36 -0.54 -0.07 0.00 0.09 0.00 0.00 57.88 57.01 2kaw h LEU 15 Cb 1.20 -0.09 0.04 0.00 0.09 0.00 0.00 40.66 41.89 2kaw h LEU 15 CO 0.61 1.47 -0.16 0.61 0.09 0.00 0.00 178.44 181.06 2kaw n GLY 16 N 1.75 0.30 2.99 0.83 0.00 -1.26 -1.29 105.19 108.51 2kaw n GLY 16 Ca -0.22 -0.32 -0.05 0.00 0.00 0.00 0.00 46.02 45.43 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 -3.08 -0.74 0.15 -0.61 -4.36 -1.26 -0.24 121.20 111.07 2kaw s ILE 17 Ca 0.02 -0.14 -0.30 0.00 -0.26 0.00 0.00 60.65 59.96 2kaw s ILE 17 Cb -0.00 -0.95 -0.08 0.00 1.25 0.00 0.00 42.46 42.69 2kaw s ILE 17 CO 0.15 -0.15 1.26 -0.94 0.24 0.00 0.00 174.94 175.50 2kaw s SER 18 N 2.64 6.99 -0.20 4.36 1.04 -0.19 -4.87 113.70 123.47 2kaw s SER 18 Ca 0.12 2.24 -0.22 0.00 0.48 0.00 0.00 55.95 58.58 2kaw s SER 18 Cb -0.13 -2.60 -0.02 0.00 0.10 0.00 0.00 66.02 63.37 2kaw s SER 18 CO -0.24 -0.48 0.67 -0.63 0.98 0.00 0.00 173.24 173.54 2kaw s ILE 19 N 0.45 4.98 -0.29 -1.02 -1.09 -1.26 0.21 121.20 123.17 2kaw s ILE 19 Ca 0.57 1.28 0.00 0.00 -2.23 0.00 0.00 60.65 60.27 2kaw s ILE 19 Cb -0.34 -3.99 0.06 0.00 -1.58 0.00 0.00 42.46 36.62 2kaw s ILE 19 CO 0.34 0.08 -0.03 -0.69 -1.23 0.00 0.00 174.94 173.41 2kaw s VAL 20 N 2.06 2.69 0.07 2.92 1.01 0.43 -4.89 120.40 124.69 2kaw s VAL 20 Ca 0.30 -1.53 -0.28 0.00 0.00 0.00 0.00 61.98 60.47 2kaw s VAL 20 Cb -0.16 -2.59 -0.05 0.00 0.00 0.00 0.00 36.38 33.58 2kaw s VAL 20 CO 0.10 -0.12 0.88 -0.83 0.00 0.00 0.00 175.10 175.14 2kaw s GLY 21 N 1.21 2.91 -0.52 4.51 0.00 -1.26 -0.26 107.32 113.91 2kaw s GLY 21 Ca -0.05 0.45 -0.26 0.00 0.00 0.00 0.00 44.72 44.86 2kaw s GLY 21 CO -0.03 1.34 1.02 1.62 0.00 0.00 0.00 173.10 177.05 2kaw s GLN 22 N 0.10 3.50 -0.13 2.90 0.74 0.11 -4.95 119.66 121.93 2kaw s GLN 22 Ca 0.44 0.12 -0.06 0.00 0.05 0.00 0.00 55.36 55.91 2kaw s GLN 22 Cb -0.22 -3.98 -0.04 0.00 1.10 0.00 0.00 33.01 29.87 2kaw s GLN 22 CO 0.27 -1.43 0.10 -1.12 -0.55 0.00 0.00 175.29 172.55 2kaw s SER 23 N 2.62 5.99 0.00 6.67 0.01 -1.26 -3.04 113.70 124.69 2kaw s SER 23 Ca 0.38 0.31 0.00 0.00 1.31 0.00 0.00 55.95 57.95 2kaw s SER 23 Cb -0.10 -1.92 0.00 0.00 0.21 0.00 0.00 66.02 64.22 2kaw s SER 23 CO 0.25 0.34 0.00 -3.20 0.41 0.00 0.00 173.24 171.04 2kaw n ASN 24 N 2.41 0.00 -0.13 2.44 2.85 -1.26 -4.99 115.26 116.58 2kaw n ASN 24 Ca -0.19 -0.98 0.01 0.00 -0.11 0.00 0.00 54.58 53.32 2kaw n ASN 24 Cb 0.54 0.00 0.30 0.00 1.24 0.00 0.00 39.78 41.86 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 0.00 0.72 0.08 1.20 5.19 -2.04 -3.22 116.42 118.34 2kaw h ASP 25 Ca 0.00 -0.03 -0.00 0.00 -0.62 0.00 0.00 57.03 56.38 2kaw h ASP 25 Cb 0.00 -0.18 0.00 0.00 0.18 0.00 0.00 39.33 39.33 2kaw h ASP 25 CO 0.00 0.55 -0.04 0.03 -3.12 0.00 0.00 179.24 176.66 2kaw h ARG 26 N 0.84 -0.10 0.00 3.56 2.47 -1.99 -3.49 114.38 115.67 2kaw h ARG 26 Ca 0.22 0.01 0.00 0.00 -1.26 0.00 0.00 59.98 58.95 2kaw h ARG 26 Cb -0.05 0.02 0.00 0.00 -1.65 0.00 0.00 29.97 28.29 2kaw h ARG 26 CO -0.04 -0.07 0.00 0.41 0.56 0.00 0.00 179.97 180.83 2kaw n GLY 27 N 1.34 1.63 2.21 0.04 0.00 -1.22 -5.00 105.19 104.20 2kaw n GLY 27 Ca -0.01 -0.35 -0.25 0.00 0.00 0.00 0.00 46.02 45.41 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 6.78 0.08 1.61 5.75 -1.26 -4.48 116.55 125.03 2kaw n ASP 28 Ca 0.00 -2.68 -0.21 0.00 -0.01 0.00 0.00 54.79 51.89 2kaw n ASP 28 Cb 0.00 -1.43 -0.12 0.00 -1.03 0.00 0.00 41.12 38.54 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 5.52 0.70 0.00 6.12 0.00 -1.92 -3.51 103.07 109.98 2kaw h GLY 29 Ca 0.48 -1.40 0.00 0.00 0.00 0.00 0.00 47.33 46.41 2kaw h GLY 29 CO 0.92 1.23 0.00 0.61 0.00 0.00 0.00 176.54 179.31 2kaw n GLY 30 N 1.30 1.95 3.76 4.60 0.00 -1.25 -4.72 105.19 110.84 2kaw n GLY 30 Ca -0.13 -1.90 -0.36 0.00 0.00 0.00 0.00 46.02 43.64 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 -2.86 5.37 0.22 -0.61 -4.36 -1.26 0.06 121.20 117.76 2kaw s ILE 31 Ca 0.00 0.36 0.11 0.00 -0.26 0.00 0.00 60.65 60.86 2kaw s ILE 31 Cb 0.00 -3.53 -0.05 0.00 1.25 0.00 0.00 42.46 40.13 2kaw s ILE 31 CO 0.00 0.46 -0.19 -0.31 0.24 0.00 0.00 174.94 175.13 2kaw s TYR 32 N 0.10 2.37 -0.19 1.37 1.51 0.64 -1.39 117.35 121.76 2kaw s TYR 32 Ca 0.13 -0.32 -0.29 0.00 -1.01 0.00 0.00 57.07 55.58 2kaw s TYR 32 Cb -0.12 -1.11 -0.01 0.00 -0.11 0.00 0.00 41.96 40.60 2kaw s TYR 32 CO 0.02 0.58 1.26 0.42 -1.11 0.00 0.00 175.55 176.71 2kaw s ILE 33 N -1.99 4.29 0.00 2.71 -1.09 0.51 -0.43 121.20 125.21 2kaw s ILE 33 Ca 0.25 1.54 0.00 0.00 -2.23 0.00 0.00 60.65 60.21 2kaw s ILE 33 Cb -0.07 -4.04 0.00 0.00 -1.58 0.00 0.00 42.46 36.77 2kaw s ILE 33 CO 0.13 -0.18 0.00 0.61 -1.23 0.00 0.00 174.94 174.26 2kaw n GLY 34 N 3.69 1.22 3.38 6.18 0.00 0.13 -1.25 105.19 118.54 2kaw n GLY 34 Ca 0.14 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.84 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 -1.00 3.64 -0.03 1.61 0.01 -1.25 -4.60 113.70 112.07 2kaw s SER 35 Ca 0.00 -0.34 -0.13 0.00 1.31 0.00 0.00 55.95 56.79 2kaw s SER 35 Cb 0.00 -0.93 -0.05 0.00 0.21 0.00 0.00 66.02 65.25 2kaw s SER 35 CO 0.00 0.28 0.35 -0.63 0.41 0.00 0.00 173.24 173.65 2kaw s ILE 36 N -0.36 5.14 -0.17 1.44 1.01 -1.26 -1.02 121.20 125.97 2kaw s ILE 36 Ca 0.03 0.71 -0.02 0.00 0.00 0.00 0.00 60.65 61.37 2kaw s ILE 36 Cb -0.12 -3.65 -0.01 0.00 0.01 0.00 0.00 42.46 38.68 2kaw s ILE 36 CO 0.02 0.57 -0.09 -0.04 0.00 0.00 0.00 174.94 175.40 2kaw s MET 37 N -0.94 3.38 0.21 2.79 -1.94 0.67 -4.94 119.30 118.53 2kaw s MET 37 Ca 0.22 -0.65 -0.32 0.00 -1.71 0.00 0.00 55.69 53.23 2kaw s MET 37 Cb -0.16 -2.81 -0.12 0.00 2.01 0.00 0.00 34.83 33.75 2kaw s MET 37 CO 0.11 0.01 1.69 0.21 -0.01 0.00 0.00 175.02 177.03 2kaw s LYS 38 N 0.90 4.14 0.00 2.03 2.47 -1.26 -2.42 119.74 125.59 2kaw s LYS 38 Ca -0.02 2.57 0.00 0.00 -1.56 0.00 0.00 55.97 56.96 2kaw s LYS 38 Cb -0.15 -3.08 0.00 0.00 -1.46 0.00 0.00 37.83 33.14 2kaw s LYS 38 CO 0.00 -0.72 0.00 0.41 0.16 0.00 0.00 175.35 175.20 2kaw n GLY 39 N 3.71 1.92 3.90 5.54 0.00 -1.26 -5.08 105.19 113.92 2kaw n GLY 39 Ca 0.15 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.88 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 -2.21 1.62 0.34 -0.02 0.00 -1.02 -4.84 107.32 101.20 2kaw s GLY 40 Ca 0.00 -0.54 0.02 0.00 0.00 0.00 0.00 44.72 44.20 2kaw s GLY 40 CO 0.00 -0.20 2.00 0.00 0.00 0.00 0.00 173.10 174.90 2kaw h ALA 41 N -0.45 1.54 -0.19 3.20 0.00 -0.39 -1.82 119.26 121.16 2kaw h ALA 41 Ca -0.45 -0.04 -0.18 0.00 0.00 0.00 0.00 54.91 54.24 2kaw h ALA 41 Cb 1.26 -0.26 -0.00 0.00 0.00 0.00 0.00 17.79 18.78 2kaw h ALA 41 CO 0.62 0.41 -0.60 0.28 0.00 0.00 0.00 179.25 179.96 2kaw h VAL 42 N 0.89 1.31 0.00 0.00 2.07 -1.45 -2.66 116.25 116.41 2kaw h VAL 42 Ca 0.26 -1.85 0.00 0.00 0.82 0.00 0.00 66.70 65.92 2kaw h VAL 42 Cb -0.06 1.81 0.00 0.00 -1.52 0.00 0.00 31.29 31.53 2kaw h VAL 42 CO -0.06 0.58 0.00 0.00 0.02 0.00 0.00 177.57 178.11 2kaw h ALA 43 N 0.86 1.00 -0.01 1.67 0.00 -1.47 -0.47 119.26 120.83 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 1.17 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.96 2kaw h ALA 43 CO 0.12 0.00 -0.18 0.00 0.00 0.00 0.00 179.25 179.19 2kaw n ALA 44 N -1.92 2.92 -0.28 0.00 0.00 -0.75 -4.51 120.51 115.98 2kaw n ALA 44 Ca 0.01 -0.48 0.00 0.00 0.00 0.00 0.00 53.44 52.97 2kaw n ALA 44 Cb 0.24 -1.07 0.00 0.00 0.00 0.00 0.00 19.45 18.62 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 -0.11 0.00 0.00 0.00 -0.08 -0.22 -5.05 116.55 111.09 2kaw n ASP 45 Ca 0.14 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.42 2kaw n ASP 45 Cb 0.39 -0.34 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 1.87 2.60 0.20 0.27 0.00 -0.98 -4.94 105.19 104.20 2kaw n GLY 46 Ca 0.00 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.09 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 1.11 0.00 -5.77 1.61 3.08 -1.97 -3.42 114.38 109.02 2kaw h ARG 47 Ca 0.00 0.00 -0.60 0.00 0.07 0.00 0.00 59.98 59.45 2kaw h ARG 47 Cb 0.00 0.00 -0.08 0.00 0.08 0.00 0.00 29.97 29.97 2kaw h ARG 47 CO 0.00 0.32 -0.23 0.42 -1.07 0.00 0.00 179.97 179.41 2kaw s ILE 48 N -3.71 5.17 0.17 2.04 1.01 -1.26 -5.08 121.20 119.53 2kaw s ILE 48 Ca -0.00 0.77 0.03 0.00 0.00 0.00 0.00 60.65 61.44 2kaw s ILE 48 Cb 0.11 -3.71 -0.05 0.00 0.01 0.00 0.00 42.46 38.83 2kaw s ILE 48 CO 0.67 0.45 -0.05 -1.83 0.00 0.00 0.00 174.94 174.19 2kaw s GLU 49 N -0.13 1.10 -0.43 2.79 -1.05 -1.26 -4.98 118.70 114.74 2kaw s GLU 49 Ca 0.22 -1.51 -0.27 0.00 -0.15 0.00 0.00 54.97 53.27 2kaw s GLU 49 Cb -0.15 -0.46 -0.06 0.00 -0.44 0.00 0.00 34.13 33.02 2kaw s GLU 49 CO 0.09 -0.03 2.32 -2.14 0.95 0.00 0.00 175.26 176.45 2kaw s PRO 50 N -3.83 2.39 0.00 -4.83 0.02 -1.26 -1.82 135.00 125.67 2kaw s PRO 50 Ca 0.21 1.50 0.00 0.00 0.02 0.00 0.00 61.00 62.73 2kaw s PRO 50 Cb 0.05 -4.52 0.00 0.00 0.02 0.00 0.00 34.50 30.05 2kaw s PRO 50 CO 0.02 -2.95 0.00 0.41 -0.33 0.00 0.00 177.00 174.16 2kaw n GLY 51 N 5.92 1.10 3.77 0.52 0.00 -0.38 -4.99 105.19 111.13 2kaw n GLY 51 Ca 0.34 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.95 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 -0.08 6.44 -0.15 1.61 1.01 -0.76 -4.59 116.67 120.16 2kaw s ASP 52 Ca 0.00 2.92 -0.11 0.00 0.71 0.00 0.00 52.55 56.07 2kaw s ASP 52 Cb 0.00 -2.66 -0.05 0.00 1.01 0.00 0.00 42.92 41.22 2kaw s ASP 52 CO 0.00 -0.79 0.21 -0.32 0.21 0.00 0.00 175.17 174.48 2kaw s MET 53 N -2.04 4.01 -0.20 8.23 -2.45 -0.96 -0.36 119.30 125.52 2kaw s MET 53 Ca 0.52 -0.04 -0.23 0.00 -1.25 0.00 0.00 55.69 54.69 2kaw s MET 53 Cb -0.44 -3.35 -0.02 0.00 1.25 0.00 0.00 34.83 32.28 2kaw s MET 53 CO 0.59 0.43 0.75 -0.51 1.05 0.00 0.00 175.02 177.33 2kaw s LEU 54 N -0.07 4.14 0.00 4.11 1.43 -0.49 0.05 118.68 127.85 2kaw s LEU 54 Ca 0.14 0.99 0.00 0.00 -1.03 0.00 0.00 54.13 54.23 2kaw s LEU 54 Cb -0.12 -3.08 0.00 0.00 0.03 0.00 0.00 46.19 43.02 2kaw s LEU 54 CO 0.03 -0.38 0.00 0.18 0.23 0.00 0.00 176.35 176.41 2kaw n LEU 55 N 5.37 0.00 -4.35 1.79 4.77 -0.56 -4.56 117.00 119.46 2kaw n LEU 55 Ca 0.02 0.00 -0.32 0.00 -0.03 0.00 0.00 56.01 55.68 2kaw n LEU 55 Cb 0.49 -0.37 -0.15 0.00 -2.33 0.00 0.00 43.42 41.05 2kaw n LEU 55 CO 0.46 -0.42 -0.52 -1.58 -1.33 0.00 0.00 177.39 174.00 2kaw s GLN 56 N -0.84 2.54 -0.28 3.23 0.74 -1.23 -0.26 119.66 123.55 2kaw s GLN 56 Ca 0.00 -0.83 -0.01 0.00 0.05 0.00 0.00 55.36 54.58 2kaw s GLN 56 Cb 0.00 -2.25 0.09 0.00 1.10 0.00 0.00 33.01 31.95 2kaw s GLN 56 CO 0.00 0.47 0.06 0.08 -0.55 0.00 0.00 175.29 175.35 2kaw s VAL 57 N -0.35 1.02 -0.79 1.34 1.01 -0.22 -1.43 120.40 120.97 2kaw s VAL 57 Ca 0.03 -1.30 -0.01 0.00 0.00 0.00 0.00 61.98 60.70 2kaw s VAL 57 Cb -0.12 -1.65 -0.01 0.00 0.00 0.00 0.00 36.38 34.59 2kaw s VAL 57 CO 0.02 -0.50 0.73 0.59 0.00 0.00 0.00 175.10 175.94 2kaw n ASN 58 N 4.81 -7.46 0.00 3.32 4.13 -1.01 -3.55 115.26 115.50 2kaw n ASN 58 Ca -0.04 -0.22 0.00 0.00 1.68 0.00 0.00 54.58 56.00 2kaw n ASN 58 Cb 0.43 -5.09 0.00 0.00 -1.54 0.00 0.00 39.78 33.58 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 -2.03 0.00 -4.72 6.41 8.00 -1.26 -4.93 116.55 118.03 2kaw n ASP 59 Ca -0.03 0.00 -0.42 0.00 0.71 0.00 0.00 54.79 55.05 2kaw n ASP 59 Cb 0.53 0.00 -0.03 0.00 -0.02 0.00 0.00 41.12 41.60 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 3.12 -0.17 2.53 -7.23 -1.23 -5.00 120.40 112.42 2kaw s VAL 60 Ca 0.00 0.81 -0.08 0.00 -1.81 0.00 0.00 61.98 60.89 2kaw s VAL 60 Cb 0.00 -3.52 -0.04 0.00 0.56 0.00 0.00 36.38 33.38 2kaw s VAL 60 CO 0.00 0.06 0.12 0.21 -0.31 0.00 0.00 175.10 175.18 2kaw s ASN 61 N 1.10 6.17 0.00 4.85 2.47 -1.26 -1.06 114.94 127.21 2kaw s ASN 61 Ca 0.66 0.29 0.17 0.00 0.42 0.00 0.00 52.86 54.40 2kaw s ASN 61 Cb -0.39 -2.05 0.34 0.00 -1.45 0.00 0.00 41.25 37.71 2kaw s ASN 61 CO 0.31 0.26 1.26 0.49 -3.72 0.00 0.00 177.10 175.70 2kaw n PHE 62 N 2.95 0.43 -0.19 0.43 3.72 0.63 -4.52 117.46 120.92 2kaw n PHE 62 Ca -0.17 -0.29 0.04 0.00 -0.05 0.00 0.00 57.45 56.97 2kaw n PHE 62 Cb 0.53 -0.01 0.31 0.00 -0.94 0.00 0.00 39.48 39.37 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 3.35 0.84 -0.55 -1.08 5.08 -1.87 -2.45 114.58 117.89 2kaw h GLU 63 Ca 0.00 -0.05 -0.34 0.00 -1.00 0.00 0.00 59.36 57.97 2kaw h GLU 63 Cb 0.82 -0.19 -0.21 0.00 0.50 0.00 0.00 28.75 29.67 2kaw h GLU 63 CO 0.00 0.55 -0.06 0.09 -1.00 0.00 0.00 179.01 178.59 2kaw n ASN 64 N -4.46 3.67 -4.41 1.42 3.02 -1.26 -5.00 115.26 108.23 2kaw n ASN 64 Ca 0.09 -3.78 -0.23 0.00 -0.03 0.00 0.00 54.58 50.64 2kaw n ASN 64 Cb 0.14 -0.64 -0.10 0.00 -0.61 0.00 0.00 39.78 38.57 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 -3.40 1.50 0.58 3.52 -1.94 -0.93 -5.13 119.30 113.51 2kaw s MET 65 Ca 0.49 -1.63 -0.18 0.00 -1.71 0.00 0.00 55.69 52.66 2kaw s MET 65 Cb 0.43 -1.55 -0.04 0.00 2.01 0.00 0.00 34.83 35.68 2kaw s MET 65 CO 0.01 0.30 1.13 -1.12 -0.01 0.00 0.00 175.02 175.33 2kaw s SER 66 N -3.19 5.47 0.26 3.03 0.01 -1.26 -4.80 113.70 113.22 2kaw s SER 66 Ca 0.24 2.16 -0.02 0.00 1.31 0.00 0.00 55.95 59.64 2kaw s SER 66 Cb -0.05 -2.58 0.50 0.00 0.21 0.00 0.00 66.02 64.11 2kaw s SER 66 CO 0.11 -1.39 1.76 0.78 0.41 0.00 0.00 173.24 174.91 2kaw h ASN 67 N 0.83 0.48 -0.05 2.44 2.35 -1.94 0.14 115.58 119.83 2kaw h ASN 67 Ca -0.49 0.09 -0.01 0.00 -0.55 0.00 0.00 56.30 55.34 2kaw h ASN 67 Cb 1.26 0.02 -0.00 0.00 0.05 0.00 0.00 38.32 39.65 2kaw h ASN 67 CO 0.56 0.21 -0.03 0.44 -1.65 0.00 0.00 177.43 176.96 2kaw h ASP 68 N 0.59 0.10 -0.81 5.81 5.19 -1.98 -3.00 116.42 122.32 2kaw h ASP 68 Ca 0.44 -0.43 0.03 0.00 -0.62 0.00 0.00 57.03 56.46 2kaw h ASP 68 Cb 0.62 -0.03 -0.05 0.00 0.18 0.00 0.00 39.33 40.05 2kaw h ASP 68 CO -0.36 0.51 0.52 0.44 -3.12 0.00 0.00 179.24 177.23 2kaw h ASP 69 N -0.30 0.86 -0.72 6.45 3.32 -1.75 0.38 116.42 124.65 2kaw h ASP 69 Ca 0.01 -0.00 0.07 0.00 0.02 0.00 0.00 57.03 57.13 2kaw h ASP 69 Cb 0.47 -0.19 -0.06 0.00 0.22 0.00 0.00 39.33 39.77 2kaw h ASP 69 CO 0.01 0.59 0.41 0.00 -1.72 0.00 0.00 179.24 178.52 2kaw h ALA 70 N 1.34 0.99 -0.30 3.45 0.00 -0.77 -0.11 119.26 123.86 2kaw h ALA 70 Ca 0.33 0.02 -0.18 0.00 0.00 0.00 0.00 54.91 55.08 2kaw h ALA 70 Cb 0.02 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 17.68 2kaw h ALA 70 CO -0.12 0.07 -0.52 0.28 0.00 0.00 0.00 179.25 178.96 2kaw h VAL 71 N 0.73 1.28 -0.09 0.00 2.07 -1.22 -2.21 116.25 116.80 2kaw h VAL 71 Ca 0.33 -1.70 0.01 0.00 0.82 0.00 0.00 66.70 66.16 2kaw h VAL 71 Cb 0.24 1.59 -0.01 0.00 -1.52 0.00 0.00 31.29 31.59 2kaw h VAL 71 CO -0.20 0.56 0.01 0.03 0.02 0.00 0.00 177.57 177.99 2kaw h ARG 72 N 0.68 0.05 -0.68 1.57 3.08 -0.14 0.17 114.38 119.10 2kaw h ARG 72 Ca 0.02 -0.00 -0.06 0.00 0.07 0.00 0.00 59.98 60.01 2kaw h ARG 72 Cb 1.12 -0.01 -0.03 0.00 0.08 0.00 0.00 29.97 31.13 2kaw h ARG 72 CO 0.12 0.03 0.21 0.28 -1.07 0.00 0.00 179.97 179.54 2kaw h VAL 73 N 0.05 1.26 -0.87 2.04 2.07 -1.08 -2.52 116.25 117.20 2kaw h VAL 73 Ca 0.04 -0.89 0.01 0.00 0.82 0.00 0.00 66.70 66.68 2kaw h VAL 73 Cb 0.04 0.53 -0.04 0.00 -1.52 0.00 0.00 31.29 30.30 2kaw h VAL 73 CO -0.06 0.34 0.57 0.25 0.02 0.00 0.00 177.57 178.69 2kaw h LEU 74 N 1.00 1.00 -1.27 2.57 5.85 -0.96 -1.95 115.31 121.56 2kaw h LEU 74 Ca 0.22 -0.03 0.06 0.00 0.84 0.00 0.00 57.88 58.97 2kaw h LEU 74 Cb 0.31 -0.25 -0.05 0.00 0.37 0.00 0.00 40.66 41.04 2kaw h LEU 74 CO -0.01 0.73 0.53 0.03 -0.34 0.00 0.00 178.44 179.38 2kaw h ARG 75 N 1.18 0.87 -0.27 1.25 3.08 -0.24 0.26 114.38 120.51 2kaw h ARG 75 Ca 0.32 -0.05 -0.05 0.00 0.07 0.00 0.00 59.98 60.27 2kaw h ARG 75 Cb -0.13 -0.20 -0.01 0.00 0.08 0.00 0.00 29.97 29.72 2kaw h ARG 75 CO -0.07 0.58 -0.02 0.93 -1.07 0.00 0.00 179.97 180.32 2kaw h GLU 76 N 0.90 0.49 -0.49 0.04 4.39 -1.11 -0.74 114.58 118.06 2kaw h GLU 76 Ca 0.35 -0.17 -0.12 0.00 0.34 0.00 0.00 59.36 59.76 2kaw h GLU 76 Cb 0.21 -0.04 -0.01 0.00 -0.10 0.00 0.00 28.75 28.81 2kaw h GLU 76 CO -0.12 0.67 -0.17 0.82 -1.16 0.00 0.00 179.01 179.05 2kaw h ILE 77 N 0.26 1.27 -0.21 3.13 2.04 -0.96 -2.67 117.51 120.37 2kaw h ILE 77 Ca 0.07 -1.32 -0.07 0.00 1.00 0.00 0.00 64.86 64.54 2kaw h ILE 77 Cb 0.46 1.10 -0.01 0.00 -0.74 0.00 0.00 36.82 37.63 2kaw h ILE 77 CO 0.02 0.46 -0.20 0.58 0.00 0.00 0.00 178.15 179.01 2kaw h VAL 78 N 0.82 1.23 -0.27 1.67 2.07 -0.45 -1.92 116.25 119.41 2kaw h VAL 78 Ca 0.12 -1.08 0.00 0.00 0.82 0.00 0.00 66.70 66.56 2kaw h VAL 78 Cb 0.74 1.29 0.00 0.00 -1.52 0.00 0.00 31.29 31.80 2kaw h VAL 78 CO 0.06 0.34 0.00 -1.20 0.02 0.00 0.00 177.57 176.79 2kaw n SER 79 N -4.18 1.47 -4.96 0.57 7.64 -0.29 -4.86 113.62 109.00 2kaw n SER 79 Ca -0.00 -1.98 -0.19 0.00 1.01 0.00 0.00 58.87 57.71 2kaw n SER 79 Cb 0.35 -0.18 -0.01 0.00 -1.01 0.00 0.00 64.21 63.36 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 -1.64 2.90 -0.90 1.43 2.00 -0.72 -5.04 119.66 117.68 2kaw s GLN 80 Ca 0.19 -1.19 -0.01 0.00 -2.00 0.00 0.00 55.36 52.36 2kaw s GLN 80 Cb 0.10 -2.70 0.26 0.00 0.80 0.00 0.00 33.01 31.47 2kaw s GLN 80 CO 0.13 -0.07 0.99 0.25 -0.50 0.00 0.00 175.29 176.09 2kaw n THR 81 N -1.66 3.60 -3.86 -0.34 -2.24 -1.26 -5.01 114.28 103.52 2kaw n THR 81 Ca 0.03 -5.39 -0.07 0.00 -2.27 0.00 0.00 64.05 56.34 2kaw n THR 81 Cb 0.59 -2.24 -0.02 0.00 -2.10 0.00 0.00 70.33 66.56 2kaw n THR 81 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 2kaw s GLY 82 N -1.09 -0.03 0.34 3.38 0.00 -1.26 -5.11 107.32 103.54 2kaw s GLY 82 Ca 0.32 -0.35 -0.29 0.00 0.00 0.00 0.00 44.72 44.41 2kaw s GLY 82 CO -0.03 -0.15 1.41 2.56 0.00 0.00 0.00 173.10 176.89 2kaw s PRO 83 N -3.92 4.23 -0.20 2.90 0.04 -1.26 -4.61 135.00 132.17 2kaw s PRO 83 Ca 0.12 2.40 0.02 0.00 0.04 0.00 0.00 61.00 63.57 2kaw s PRO 83 Cb -0.05 -3.03 0.03 0.00 0.04 0.00 0.00 34.50 31.50 2kaw s PRO 83 CO 0.06 -0.38 -0.16 0.42 0.04 0.00 0.00 177.00 176.99 2kaw s ILE 84 N -1.01 2.02 -0.24 0.56 1.01 -1.12 -5.00 121.20 117.41 2kaw s ILE 84 Ca 0.52 -1.13 -0.09 0.00 0.00 0.00 0.00 60.65 59.94 2kaw s ILE 84 Cb -0.43 -1.95 -0.04 0.00 0.01 0.00 0.00 42.46 40.05 2kaw s ILE 84 CO 0.57 0.33 0.13 -0.44 0.00 0.00 0.00 174.94 175.53 2kaw s SER 85 N 1.26 5.72 -0.20 3.58 0.01 -1.26 -1.10 113.70 121.71 2kaw s SER 85 Ca 0.00 -0.02 -0.06 0.00 1.31 0.00 0.00 55.95 57.19 2kaw s SER 85 Cb -0.15 -2.03 -0.03 0.00 0.21 0.00 0.00 66.02 64.02 2kaw s SER 85 CO -0.10 0.02 0.02 -0.76 0.41 0.00 0.00 173.24 172.83 2kaw s LEU 86 N 1.31 3.38 -0.58 2.44 1.43 0.42 -2.40 118.68 124.68 2kaw s LEU 86 Ca 0.06 -0.15 -0.12 0.00 -1.03 0.00 0.00 54.13 52.89 2kaw s LEU 86 Cb -0.15 -1.86 0.15 0.00 0.03 0.00 0.00 46.19 44.36 2kaw s LEU 86 CO 0.06 0.08 0.49 -0.89 0.23 0.00 0.00 176.35 176.32 2kaw s THR 87 N 0.90 4.85 -0.03 5.49 2.01 -0.52 -0.52 115.64 127.84 2kaw s THR 87 Ca 0.02 -1.87 -0.04 0.00 0.31 0.00 0.00 61.69 60.11 2kaw s THR 87 Cb -0.14 -4.12 -0.04 0.00 0.01 0.00 0.00 72.50 68.21 2kaw s THR 87 CO 0.02 -0.87 0.18 0.68 -0.69 0.00 0.00 174.62 173.94 2kaw s VAL 88 N 1.14 5.44 -0.36 3.82 -7.23 -0.14 -1.49 120.40 121.58 2kaw s VAL 88 Ca 0.08 -0.07 -0.11 0.00 -1.81 0.00 0.00 61.98 60.06 2kaw s VAL 88 Cb -0.24 -3.52 0.02 0.00 0.56 0.00 0.00 36.38 33.19 2kaw s VAL 88 CO -0.01 0.38 0.21 0.00 -0.31 0.00 0.00 175.10 175.37 2kaw s ALA 89 N -1.27 3.31 -2.72 1.32 0.00 0.11 -0.55 121.76 121.95 2kaw s ALA 89 Ca 0.25 -1.64 0.22 0.00 0.00 0.00 0.00 51.96 50.79 2kaw s ALA 89 Cb -0.13 -2.59 0.17 0.00 0.00 0.00 0.00 23.12 20.58 2kaw s ALA 89 CO 0.16 -1.28 1.19 1.63 0.00 0.00 0.00 175.76 177.46