#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wkt s ASP 2 N 0.00 4.69 0.42 1.61 1.01 -1.26 -4.89 116.67 118.25 1wkt s ASP 2 Ca 0.00 -3.40 -0.26 0.00 0.71 0.00 0.00 52.55 49.60 1wkt s ASP 2 Cb 0.00 -1.67 -0.09 0.00 1.01 0.00 0.00 42.92 42.17 1wkt s ASP 2 CO 0.00 -0.18 1.43 -0.83 0.21 0.00 0.00 175.17 175.80 1wkt s GLY 3 N -0.70 2.93 0.08 0.21 0.00 -1.26 -3.59 107.32 104.98 1wkt s GLY 3 Ca 0.21 1.46 -0.10 0.00 0.00 0.00 0.00 44.72 46.30 1wkt s GLY 3 CO -0.08 2.10 0.46 1.58 0.00 0.00 0.00 173.10 177.16 1wkt n TYR 4 N 0.05 -0.88 -3.53 1.90 0.18 -1.26 -4.88 117.16 108.74 1wkt n TYR 4 Ca 0.04 -0.54 -0.26 0.00 1.88 0.00 0.00 57.90 59.02 1wkt n TYR 4 Cb 0.41 0.26 -0.14 0.00 -0.38 0.00 0.00 39.34 39.49 1wkt n TYR 4 CO 0.00 0.00 0.00 -1.17 -2.08 0.00 0.00 176.86 173.61 1wkt s LEU 5 N 0.00 0.32 0.12 -3.48 0.20 -1.26 -1.68 118.68 112.90 1wkt s LEU 5 Ca 0.10 -0.96 0.02 0.00 0.69 0.00 0.00 54.13 53.98 1wkt s LEU 5 Cb -0.01 -0.13 -0.04 0.00 -0.43 0.00 0.00 46.19 45.58 1wkt s LEU 5 CO 0.02 -0.40 -0.05 0.27 -0.29 0.00 0.00 176.35 175.90 1wkt s ILE 6 N 2.17 0.67 0.15 6.68 -4.36 -1.21 -4.98 121.20 120.33 1wkt s ILE 6 Ca 0.07 -1.95 0.08 0.00 -0.26 0.00 0.00 60.65 58.60 1wkt s ILE 6 Cb -0.16 -1.79 -0.04 0.00 1.25 0.00 0.00 42.46 41.72 1wkt s ILE 6 CO -0.28 -0.77 -0.18 0.00 0.24 0.00 0.00 174.94 173.95 1wkt s MET 7 N -3.86 1.22 0.24 0.37 0.23 -1.26 -0.90 119.30 115.34 1wkt s MET 7 Ca 0.15 -1.35 0.01 0.00 -1.03 0.00 0.00 55.69 53.46 1wkt s MET 7 Cb 0.05 -1.28 -0.05 0.00 -1.53 0.00 0.00 34.83 32.02 1wkt s MET 7 CO -0.03 0.26 0.10 0.00 -2.03 0.00 0.00 175.02 173.32 1wkt h LYS 9 N 2.46 0.00 0.00 0.00 5.09 -1.72 0.27 116.57 122.67 1wkt h LYS 9 Ca -0.38 0.00 -0.33 0.00 0.09 0.00 0.00 60.65 60.03 1wkt h LYS 9 Cb 1.24 0.00 -0.09 0.00 0.10 0.00 0.00 32.23 33.49 1wkt h LYS 9 CO 0.59 0.45 -0.32 0.27 -2.09 0.00 0.00 179.45 178.35 1wkt n ASN 10 N -3.23 -0.34 -0.18 7.07 6.94 -1.26 -4.36 115.26 119.89 1wkt n ASN 10 Ca 0.02 -2.49 0.11 0.00 -0.02 0.00 0.00 54.58 52.19 1wkt n ASN 10 Cb 0.70 1.10 0.54 0.00 -2.36 0.00 0.00 39.78 39.76 1wkt n ASN 10 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1wkt s ASP 12 N -1.64 4.67 0.20 0.00 -1.08 -1.26 -4.98 116.67 112.58 1wkt s ASP 12 Ca 0.32 -0.91 -0.07 0.00 -0.52 0.00 0.00 52.55 51.36 1wkt s ASP 12 Cb 0.15 -1.74 0.14 0.00 -1.46 0.00 0.00 42.92 40.02 1wkt s ASP 12 CO 0.25 -0.18 1.68 1.55 0.52 0.00 0.00 175.17 178.99 1wkt h PRO 13 N 8.08 1.02 -0.15 4.34 0.13 -1.95 0.24 132.00 143.70 1wkt h PRO 13 Ca -0.30 -0.30 -0.13 0.00 -0.87 0.00 0.00 66.00 64.40 1wkt h PRO 13 Cb 1.10 -0.11 -0.01 0.00 0.13 0.00 0.00 31.00 32.12 1wkt h PRO 13 CO 0.58 0.99 -0.46 -0.97 -0.23 0.00 0.00 178.00 177.90 1wkt h ASN 14 N 0.94 0.40 0.00 1.44 -0.73 -1.98 -3.27 115.58 112.38 1wkt h ASN 14 Ca 0.17 -0.19 0.00 0.00 1.87 0.00 0.00 56.30 58.16 1wkt h ASN 14 Cb 0.51 -0.11 0.00 0.00 0.27 0.00 0.00 38.32 38.99 1wkt h ASN 14 CO 0.02 0.81 -0.19 1.07 -0.37 0.00 0.00 177.43 178.77 1wkt n THR 15 N -3.99 0.33 -0.04 -3.57 5.66 -1.25 -4.80 114.28 106.62 1wkt n THR 15 Ca -0.02 -0.37 -0.20 0.00 -3.05 0.00 0.00 64.05 60.41 1wkt n THR 15 Cb 0.53 0.61 -0.13 0.00 -1.55 0.00 0.00 70.33 69.79 1wkt n THR 15 CO 0.00 0.00 0.00 1.23 -3.05 0.00 0.00 175.07 173.25 1wkt h GLY 16 N 0.00 0.14 -0.47 1.09 0.00 -0.60 -3.49 103.07 99.75 1wkt h GLY 16 Ca 0.00 -0.37 0.00 0.00 0.00 0.00 0.00 47.33 46.96 1wkt h GLY 16 CO 0.00 0.32 0.00 -1.26 0.00 0.00 0.00 176.54 175.60 1wkt n SER 17 N -4.19 -1.80 -4.49 0.19 2.88 -1.23 -4.60 113.62 100.38 1wkt n SER 17 Ca -0.25 0.00 -0.24 0.00 -1.33 0.00 0.00 58.87 57.05 1wkt n SER 17 Cb 0.76 -0.04 -0.10 0.00 -0.75 0.00 0.00 64.21 64.08 1wkt n SER 17 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1wkt s ASP 19 N -3.56 6.45 -0.13 0.00 1.47 0.51 -4.89 116.67 116.51 1wkt s ASP 19 Ca 0.34 -1.71 -0.03 0.00 1.18 0.00 0.00 52.55 52.33 1wkt s ASP 19 Cb 0.08 -2.38 -0.06 0.00 -0.34 0.00 0.00 42.92 40.22 1wkt s ASP 19 CO 0.16 -1.15 2.77 0.79 0.68 0.00 0.00 175.17 178.42 1wkt n TRP 20 N 6.71 0.53 -2.37 2.11 7.02 -1.26 -4.38 117.44 125.79 1wkt n TRP 20 Ca 0.12 -1.52 -0.27 0.00 -1.02 0.00 0.00 57.50 54.81 1wkt n TRP 20 Cb 0.47 -1.16 0.03 0.00 -2.42 0.00 0.00 31.31 28.23 1wkt n TRP 20 CO 0.00 0.00 0.00 0.15 -2.02 0.00 0.00 177.69 175.82 1wkt s LYS 21 N -0.21 3.02 0.38 -0.99 -0.14 -1.26 -5.06 119.74 115.48 1wkt s LYS 21 Ca 0.41 0.08 -0.26 0.00 -1.36 0.00 0.00 55.97 54.84 1wkt s LYS 21 Cb 0.23 -2.26 -0.09 0.00 -1.68 0.00 0.00 37.83 34.03 1wkt s LYS 21 CO -0.04 -0.65 1.16 -1.14 -0.76 0.00 0.00 175.35 173.92 1wkt s GLN 22 N -4.99 4.16 0.00 1.68 0.74 -1.26 -4.90 119.66 115.09 1wkt s GLN 22 Ca 0.53 1.84 0.00 0.00 0.05 0.00 0.00 55.36 57.79 1wkt s GLN 22 Cb -0.11 -2.77 0.00 0.00 1.10 0.00 0.00 33.01 31.24 1wkt s GLN 22 CO 0.46 -0.23 0.00 0.09 -0.55 0.00 0.00 175.29 175.06 1wkt n ASN 23 N 0.27 0.30 -4.52 6.67 3.02 -1.26 -4.81 115.26 114.93 1wkt n ASN 23 Ca 0.03 0.00 -0.55 0.00 -0.03 0.00 0.00 54.58 54.04 1wkt n ASN 23 Cb 0.46 0.00 -0.08 0.00 -0.61 0.00 0.00 39.78 39.55 1wkt n ASN 23 CO 0.00 0.00 0.00 0.79 -2.62 0.00 0.00 177.26 175.43 1wkt n TRP 24 N -2.05 1.72 -1.45 3.10 7.02 -1.26 -1.53 117.44 122.99 1wkt n TRP 24 Ca 0.00 0.45 -0.16 0.00 -1.02 0.00 0.00 57.50 56.77 1wkt n TRP 24 Cb 0.07 -2.47 -0.07 0.00 -2.42 0.00 0.00 31.31 26.42 1wkt n TRP 24 CO 0.00 0.00 0.00 0.09 -2.02 0.00 0.00 177.69 175.76 1wkt n ASN 25 N 7.76 -4.40 -4.86 -0.99 3.02 -1.26 -4.93 115.26 109.60 1wkt n ASN 25 Ca 0.38 0.39 -0.30 0.00 -0.03 0.00 0.00 54.58 55.02 1wkt n ASN 25 Cb 0.15 -3.92 -0.03 0.00 -0.61 0.00 0.00 39.78 35.37 1wkt n ASN 25 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 1wkt s THR 26 N -2.33 1.31 -0.45 3.41 2.01 -0.58 -5.11 115.64 113.89 1wkt s THR 26 Ca 0.00 -1.72 0.06 0.00 0.31 0.00 0.00 61.69 60.35 1wkt s THR 26 Cb 0.00 -2.02 0.21 0.00 0.01 0.00 0.00 72.50 70.70 1wkt s THR 26 CO 0.00 0.00 0.61 0.00 -0.69 0.00 0.00 174.62 174.54 1wkt s VAL 28 N 0.06 3.78 -0.31 0.00 1.01 -1.26 -4.84 120.40 118.83 1wkt s VAL 28 Ca 0.33 0.24 -0.10 0.00 0.00 0.00 0.00 61.98 62.45 1wkt s VAL 28 Cb 0.11 -3.53 -0.01 0.00 0.00 0.00 0.00 36.38 32.96 1wkt s VAL 28 CO -0.15 -0.60 0.16 -0.83 0.00 0.00 0.00 175.10 173.68 1wkt s GLY 29 N -4.30 1.88 0.26 4.51 0.00 -1.26 -4.44 107.32 103.97 1wkt s GLY 29 Ca 0.55 -1.37 -0.06 0.00 0.00 0.00 0.00 44.72 43.83 1wkt s GLY 29 CO 0.48 0.70 0.54 -0.42 0.00 0.00 0.00 173.10 174.39 1wkt s ILE 30 N 1.63 5.01 -2.77 0.90 1.09 -0.02 -5.03 121.20 122.00 1wkt s ILE 30 Ca 0.05 0.18 0.00 0.00 -1.10 0.00 0.00 60.65 59.78 1wkt s ILE 30 Cb -0.17 -3.69 0.00 0.00 -1.06 0.00 0.00 42.46 37.54 1wkt s ILE 30 CO 0.07 -0.21 0.00 0.61 -0.10 0.00 0.00 174.94 175.31 1wkt n GLY 31 N -0.60 -0.96 2.17 6.18 0.00 -1.26 -4.79 105.19 105.92 1wkt n GLY 31 Ca -0.01 -0.97 -0.01 0.00 0.00 0.00 0.00 46.02 45.03 1wkt n GLY 31 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wkt n ALA 32 N 0.00 -2.28 -1.07 4.61 0.00 -1.26 -3.94 120.51 116.57 1wkt n ALA 32 Ca 0.00 0.17 -0.03 0.00 0.00 0.00 0.00 53.44 53.58 1wkt n ALA 32 Cb 0.00 -0.99 -0.01 0.00 0.00 0.00 0.00 19.45 18.44 1wkt n ALA 32 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1wkt n ASN 33 N -1.05 -5.78 -4.59 0.00 3.02 -1.26 -4.71 115.26 100.89 1wkt n ASN 33 Ca 0.02 0.06 -0.43 0.00 -0.03 0.00 0.00 54.58 54.20 1wkt n ASN 33 Cb 0.41 -3.50 -0.02 0.00 -0.61 0.00 0.00 39.78 36.05 1wkt n ASN 33 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1wkt s VAL 34 N -1.27 3.78 -0.13 2.41 1.01 -1.25 -4.26 120.40 120.68 1wkt s VAL 34 Ca 0.00 0.77 0.18 0.00 0.00 0.00 0.00 61.98 62.93 1wkt s VAL 34 Cb 0.00 -4.12 0.37 0.00 0.00 0.00 0.00 36.38 32.64 1wkt s VAL 34 CO 0.00 -0.76 1.18 0.00 0.00 0.00 0.00 175.10 175.52 1wkt n HIS 35 N 9.39 0.07 -3.62 5.22 1.44 -0.73 -4.87 115.22 122.12 1wkt n HIS 35 Ca 0.17 -1.19 -0.23 0.00 -2.01 0.00 0.00 57.72 54.46 1wkt n HIS 35 Cb 0.48 0.20 -0.17 0.00 0.12 0.00 0.00 29.99 30.63 1wkt n HIS 35 CO 0.00 0.00 0.00 -1.58 -2.81 0.00 0.00 176.34 171.95 1wkt s TRP 36 N -1.15 0.08 0.14 -1.40 0.52 0.86 -0.44 118.94 117.56 1wkt s TRP 36 Ca 0.22 -0.03 -0.25 0.00 0.02 0.00 0.00 56.10 56.05 1wkt s TRP 36 Cb 0.31 -0.57 -0.07 0.00 -1.15 0.00 0.00 33.47 31.98 1wkt s TRP 36 CO -0.09 -0.41 0.78 1.41 0.02 0.00 0.00 176.95 178.66 1wkt s MET 37 N 2.18 4.56 -0.29 4.98 1.75 0.13 0.48 119.30 133.08 1wkt s MET 37 Ca 0.03 1.15 -0.01 0.00 -1.25 0.00 0.00 55.69 55.62 1wkt s MET 37 Cb -0.15 -3.28 0.09 0.00 2.84 0.00 0.00 34.83 34.34 1wkt s MET 37 CO -0.07 0.51 0.08 0.08 -0.65 0.00 0.00 175.02 174.97 1wkt s VAL 38 N -0.93 0.85 -0.57 10.11 1.01 -0.08 -0.45 120.40 130.35 1wkt s VAL 38 Ca 0.37 -1.29 -0.03 0.00 0.00 0.00 0.00 61.98 61.02 1wkt s VAL 38 Cb -0.23 -1.60 0.17 0.00 0.00 0.00 0.00 36.38 34.72 1wkt s VAL 38 CO 0.26 -0.60 2.49 0.35 0.00 0.00 0.00 175.10 177.60 1wkt n THR 39 N 4.87 3.38 0.00 3.92 -2.24 -0.58 -3.35 114.28 120.29 1wkt n THR 39 Ca -0.03 -3.28 0.00 0.00 -2.27 0.00 0.00 64.05 58.46 1wkt n THR 39 Cb 0.43 -1.46 0.00 0.00 -2.10 0.00 0.00 70.33 67.19 1wkt n THR 39 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1wkt n GLY 40 N 0.38 -0.26 0.00 3.38 0.00 -0.67 -0.21 105.19 107.81 1wkt n GLY 40 Ca 0.50 -2.06 0.00 0.00 0.00 0.00 0.00 46.02 44.46 1wkt n GLY 40 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1wkt n GLY 41 N 0.00 0.27 0.00 -0.02 0.00 -1.24 -4.62 105.19 99.59 1wkt n GLY 41 Ca 0.00 -0.15 0.00 0.00 0.00 0.00 0.00 46.02 45.87 1wkt n GLY 41 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1wkt n SER 42 N -1.33 0.00 0.00 1.61 7.64 -1.26 -4.71 113.62 115.57 1wkt n SER 42 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 1wkt n SER 42 Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 1wkt n SER 42 CO 0.00 0.00 0.00 1.07 -3.01 0.00 0.00 175.04 173.10 1wkt n THR 43 N 0.00 0.00 -4.68 0.44 5.66 -1.26 -4.61 114.28 109.83 1wkt n THR 43 Ca 0.00 0.00 -0.31 0.00 -3.05 0.00 0.00 64.05 60.69 1wkt n THR 43 Cb 0.00 0.00 -0.08 0.00 -1.55 0.00 0.00 70.33 68.70 1wkt n THR 43 CO 0.00 0.00 0.00 1.51 -3.05 0.00 0.00 175.07 173.53 1wkt s ASP 44 N 1.80 3.67 0.00 1.09 -4.77 -1.26 -4.59 116.67 112.61 1wkt s ASP 44 Ca 0.00 -1.68 0.00 0.00 -3.30 0.00 0.00 52.55 47.57 1wkt s ASP 44 Cb 0.00 0.57 0.00 0.00 -1.09 0.00 0.00 42.92 42.40 1wkt s ASP 44 CO 0.00 -0.91 0.00 0.61 0.70 0.00 0.00 175.17 175.57 1wkt n GLY 45 N -1.15 -1.74 3.57 2.12 0.00 -1.26 -4.93 105.19 101.80 1wkt n GLY 45 Ca -0.15 0.48 -0.14 0.00 0.00 0.00 0.00 46.02 46.21 1wkt n GLY 45 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1wkt s LYS 46 N -0.38 0.81 1.06 1.61 -2.85 -1.26 -5.00 119.74 113.74 1wkt s LYS 46 Ca 0.00 0.43 -0.12 0.00 -1.00 0.00 0.00 55.97 55.28 1wkt s LYS 46 Cb 0.00 0.39 0.22 0.00 -2.06 0.00 0.00 37.83 36.37 1wkt s LYS 46 CO 0.00 -0.21 1.03 0.00 0.10 0.00 0.00 175.35 176.27 1wkt n GLN 47 N 1.42 -1.51 -5.03 1.78 0.00 -1.26 -3.88 117.38 108.90 1wkt n GLN 47 Ca -0.15 -0.39 -0.29 0.00 0.00 0.00 0.00 57.00 56.17 1wkt n GLN 47 Cb 0.57 -2.24 -0.17 0.00 0.00 0.00 0.00 30.24 28.40 1wkt n GLN 47 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.06 177.26 1wkt s GLY 48 N -2.48 1.13 0.05 2.61 0.00 -0.14 -4.82 107.32 103.67 1wkt s GLY 48 Ca 0.67 -0.82 0.04 0.00 0.00 0.00 0.00 44.72 44.61 1wkt s GLY 48 CO 0.62 -0.34 -0.11 0.00 0.00 0.00 0.00 173.10 173.27 1wkt s ALA 50 N -1.22 -1.41 -0.30 0.00 0.00 -1.23 -0.95 121.76 116.64 1wkt s ALA 50 Ca -0.05 1.58 -0.23 0.00 0.00 0.00 0.00 51.96 53.26 1wkt s ALA 50 Cb -0.09 -0.89 -0.00 0.00 0.00 0.00 0.00 23.12 22.14 1wkt s ALA 50 CO 0.01 -0.27 0.78 0.99 0.00 0.00 0.00 175.76 177.27 1wkt s THR 51 N 0.23 4.80 0.06 0.00 2.01 0.50 -0.53 115.64 122.71 1wkt s THR 51 Ca -0.01 1.19 -0.01 0.00 0.31 0.00 0.00 61.69 63.17 1wkt s THR 51 Cb -0.04 -4.14 -0.04 0.00 0.01 0.00 0.00 72.50 68.29 1wkt s THR 51 CO 0.01 -0.24 0.23 -0.63 -0.69 0.00 0.00 174.62 173.30 1wkt s ILE 52 N 2.94 5.37 0.16 1.82 -1.09 0.21 -0.79 121.20 129.82 1wkt s ILE 52 Ca 0.32 -0.30 0.05 0.00 -2.23 0.00 0.00 60.65 58.49 1wkt s ILE 52 Cb -0.14 -3.62 -0.05 0.00 -1.58 0.00 0.00 42.46 37.08 1wkt s ILE 52 CO 0.12 0.16 -0.10 0.26 -1.23 0.00 0.00 174.94 174.15 1wkt s TRP 53 N -1.50 1.37 -0.07 3.97 0.51 0.40 -1.31 118.94 122.31 1wkt s TRP 53 Ca 0.34 -0.73 0.02 0.00 -2.12 0.00 0.00 56.10 53.61 1wkt s TRP 53 Cb -0.13 -0.69 -0.25 0.00 -0.81 0.00 0.00 33.47 31.59 1wkt s TRP 53 CO 0.26 0.13 0.55 1.49 -0.51 0.00 0.00 176.95 178.87 1wkt h GLU 54 N 2.72 0.15 -6.95 4.98 4.81 -0.63 -1.60 114.58 118.07 1wkt h GLU 54 Ca -0.37 -0.26 -0.51 0.00 -0.13 0.00 0.00 59.36 58.09 1wkt h GLU 54 Cb 1.20 0.10 0.05 0.00 0.63 0.00 0.00 28.75 30.73 1wkt h GLU 54 CO 0.63 0.91 0.50 0.20 -0.73 0.00 0.00 179.01 180.51 1wkt s GLY 55 N -5.31 2.85 -1.31 1.92 0.00 0.15 -4.34 107.32 101.28 1wkt s GLY 55 Ca -0.13 0.94 -0.12 0.00 0.00 0.00 0.00 44.72 45.41 1wkt s GLY 55 CO 0.80 1.45 2.44 1.44 0.00 0.00 0.00 173.10 179.23 1wkt n SER 56 N -0.00 5.77 0.00 1.64 7.64 -1.26 -2.99 113.62 124.42 1wkt n SER 56 Ca 0.05 -2.60 0.00 0.00 1.01 0.00 0.00 58.87 57.33 1wkt n SER 56 Cb 0.47 -1.42 0.00 0.00 -1.01 0.00 0.00 64.21 62.25 1wkt n SER 56 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1wkt n GLY 57 N 3.89 0.00 4.28 0.23 0.00 -1.26 -4.96 105.19 107.36 1wkt n GLY 57 Ca 0.60 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 46.26 1wkt n GLY 57 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wkt s VAL 59 N -3.48 0.94 0.00 0.00 -7.23 -1.26 -4.98 120.40 104.40 1wkt s VAL 59 Ca 0.59 -2.00 0.00 0.00 -1.81 0.00 0.00 61.98 58.76 1wkt s VAL 59 Cb -0.33 -2.41 0.00 0.00 0.56 0.00 0.00 36.38 34.20 1wkt s VAL 59 CO 0.95 0.00 0.00 0.61 -0.31 0.00 0.00 175.10 176.35 1wkt n GLY 60 N -0.98 -1.20 3.77 2.32 0.00 -1.26 0.30 105.19 108.14 1wkt n GLY 60 Ca -0.09 -1.40 -0.34 0.00 0.00 0.00 0.00 46.02 44.19 1wkt n GLY 60 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1wkt s ARG 61 N 0.00 2.98 0.22 1.61 3.52 -1.26 -4.71 118.95 121.31 1wkt s ARG 61 Ca 0.00 1.49 -0.11 0.00 -0.13 0.00 0.00 55.73 56.98 1wkt s ARG 61 Cb 0.00 -1.97 -0.01 0.00 -1.56 0.00 0.00 34.95 31.42 1wkt s ARG 61 CO 0.00 -1.13 0.39 -1.54 -0.81 0.00 0.00 175.30 172.22 1wkt s SER 62 N -2.27 -0.04 -0.04 -2.12 1.04 -1.26 -0.18 113.70 108.83 1wkt s SER 62 Ca 0.69 -0.96 -0.23 0.00 0.48 0.00 0.00 55.95 55.93 1wkt s SER 62 Cb -0.22 0.53 0.05 0.00 0.10 0.00 0.00 66.02 66.47 1wkt s SER 62 CO 0.36 -1.05 0.50 0.28 0.98 0.00 0.00 173.24 174.32 1wkt s THR 63 N -4.02 0.03 -0.53 2.02 -1.32 -0.43 -4.99 115.64 106.39 1wkt s THR 63 Ca 0.23 -0.22 -0.24 0.00 -1.21 0.00 0.00 61.69 60.25 1wkt s THR 63 Cb 0.01 -0.81 0.04 0.00 -1.51 0.00 0.00 72.50 70.23 1wkt s THR 63 CO 0.07 -0.12 0.92 0.42 -2.21 0.00 0.00 174.62 173.70 1wkt s THR 64 N -1.22 4.42 -1.09 5.08 -4.23 -1.26 -0.62 115.64 116.73 1wkt s THR 64 Ca -0.12 0.33 -0.15 0.00 -1.18 0.00 0.00 61.69 60.57 1wkt s THR 64 Cb -0.03 -4.51 0.17 0.00 1.34 0.00 0.00 72.50 69.48 1wkt s THR 64 CO 0.07 -1.05 1.26 -0.32 -0.54 0.00 0.00 174.62 174.04 1wkt s MET 65 N 3.86 3.92 0.16 3.99 1.75 0.31 -4.93 119.30 128.35 1wkt s MET 65 Ca 0.31 -2.38 -0.25 0.00 -1.25 0.00 0.00 55.69 52.11 1wkt s MET 65 Cb -0.12 -4.92 -0.08 0.00 2.84 0.00 0.00 34.83 32.54 1wkt s MET 65 CO 0.20 -1.68 0.78 0.00 -0.65 0.00 0.00 175.02 173.67 1wkt s PRO 68 N -0.22 -2.13 0.48 0.00 0.04 -1.26 -0.97 135.00 130.95 1wkt s PRO 68 Ca -0.03 0.14 -0.21 0.00 0.04 0.00 0.00 61.00 60.94 1wkt s PRO 68 Cb -0.03 -1.47 -0.08 0.00 0.04 0.00 0.00 34.50 32.96 1wkt s PRO 68 CO 0.01 -4.35 1.07 0.00 0.04 0.00 0.00 177.00 173.76 1wkt s ALA 69 N -2.55 2.88 -1.51 8.56 0.00 -1.25 -3.73 121.76 124.15 1wkt s ALA 69 Ca 0.69 0.69 -0.14 0.00 0.00 0.00 0.00 51.96 53.21 1wkt s ALA 69 Cb -0.13 -3.29 0.10 0.00 0.00 0.00 0.00 23.12 19.80 1wkt s ALA 69 CO 0.58 -0.41 0.78 0.09 0.00 0.00 0.00 175.76 176.80 1wkt n ASN 70 N -0.86 -4.18 -4.41 0.00 3.02 0.71 -4.70 115.26 104.85 1wkt n ASN 70 Ca 0.09 -0.71 -0.32 0.00 -0.03 0.00 0.00 54.58 53.60 1wkt n ASN 70 Cb 0.51 -3.39 -0.14 0.00 -0.61 0.00 0.00 39.78 36.16 1wkt n ASN 70 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 1wkt s THR 71 N -3.18 2.82 -0.36 3.41 2.01 -1.24 -4.67 115.64 114.42 1wkt s THR 71 Ca 0.60 -0.80 -0.15 0.00 0.31 0.00 0.00 61.69 61.66 1wkt s THR 71 Cb -0.31 -2.10 -0.01 0.00 0.01 0.00 0.00 72.50 70.09 1wkt s THR 71 CO 0.74 0.57 0.33 0.00 -0.69 0.00 0.00 174.62 175.58 1wkt s ASN 74 N 1.14 6.60 -0.30 0.00 2.47 -1.26 -0.70 114.94 122.89 1wkt s ASN 74 Ca -0.00 2.75 -0.11 0.00 0.42 0.00 0.00 52.86 55.91 1wkt s ASN 74 Cb -0.19 -2.63 -0.03 0.00 -1.45 0.00 0.00 41.25 36.95 1wkt s ASN 74 CO -0.08 -0.73 0.18 -0.63 -3.72 0.00 0.00 177.10 172.13 1wkt s ILE 75 N -0.26 5.00 -0.42 -5.21 -1.09 0.42 -4.91 121.20 114.73 1wkt s ILE 75 Ca 0.58 -0.14 0.08 0.00 -2.23 0.00 0.00 60.65 58.94 1wkt s ILE 75 Cb -0.43 -3.48 0.29 0.00 -1.58 0.00 0.00 42.46 37.26 1wkt s ILE 75 CO 0.47 0.13 0.78 -3.20 -1.23 0.00 0.00 174.94 171.89 1wkt n ASN 76 N 5.04 -0.91 -4.80 3.58 5.15 -1.26 -4.79 115.26 117.26 1wkt n ASN 76 Ca -0.14 -3.12 -0.31 0.00 -0.60 0.00 0.00 54.58 50.42 1wkt n ASN 76 Cb 0.50 0.47 0.07 0.00 -0.53 0.00 0.00 39.78 40.30 1wkt n ASN 76 CO 0.00 0.00 0.00 0.42 1.40 0.00 0.00 177.26 179.08 1wkt s THR 77 N -0.75 3.55 0.13 -0.44 -4.23 -1.26 -4.97 115.64 107.67 1wkt s THR 77 Ca 0.33 0.50 -0.24 0.00 -1.18 0.00 0.00 61.69 61.11 1wkt s THR 77 Cb 0.25 -3.19 -0.03 0.00 1.34 0.00 0.00 72.50 70.87 1wkt s THR 77 CO -0.13 -0.66 1.65 1.23 -0.54 0.00 0.00 174.62 176.18 1wkt h GLY 78 N -0.94 -0.21 -1.60 3.99 0.00 -2.01 -3.42 103.07 98.88 1wkt h GLY 78 Ca -0.45 0.24 -0.49 0.00 0.00 0.00 0.00 47.33 46.63 1wkt h GLY 78 CO 0.57 -0.18 0.37 -0.11 0.00 0.00 0.00 176.54 177.19 1wkt s PHE 79 N -6.11 3.55 0.14 5.60 -0.71 -1.26 -5.04 117.98 114.15 1wkt s PHE 79 Ca -0.15 1.33 -0.30 0.00 -1.04 0.00 0.00 56.93 56.77 1wkt s PHE 79 Cb 0.10 -2.72 -0.07 0.00 -1.21 0.00 0.00 43.02 39.13 1wkt s PHE 79 CO 0.67 -0.51 1.09 -0.47 -1.34 0.00 0.00 175.22 174.66 1wkt s TYR 80 N -2.90 3.60 -0.08 3.49 5.04 -1.26 -5.01 117.35 120.23 1wkt s TYR 80 Ca 0.56 1.58 -0.17 0.00 -2.44 0.00 0.00 57.07 56.60 1wkt s TYR 80 Cb -0.10 -3.26 -0.05 0.00 0.35 0.00 0.00 41.96 38.90 1wkt s TYR 80 CO 0.43 -0.57 0.46 0.96 -1.34 0.00 0.00 175.55 175.50 1wkt s ILE 81 N 0.06 5.12 0.00 3.14 -0.00 -1.26 -4.31 121.20 123.95 1wkt s ILE 81 Ca 0.51 0.94 0.00 0.00 -0.00 0.00 0.00 60.65 62.09 1wkt s ILE 81 Cb -0.28 -3.80 0.00 0.00 -0.00 0.00 0.00 42.46 38.38 1wkt s ILE 81 CO 0.33 0.40 0.00 0.54 -0.00 0.00 0.00 174.94 176.21 1wkt n ARG 82 N 3.14 1.68 -3.98 0.37 1.74 -0.64 -4.89 116.66 114.09 1wkt n ARG 82 Ca -0.09 0.00 -0.10 0.00 -0.77 0.00 0.00 57.85 56.90 1wkt n ARG 82 Cb 0.52 -0.60 -0.04 0.00 -1.02 0.00 0.00 32.46 31.31 1wkt n ARG 82 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 1wkt s SER 83 N -1.19 0.04 0.27 0.55 1.04 -0.99 -0.84 113.70 112.57 1wkt s SER 83 Ca 0.00 -0.99 -0.17 0.00 0.48 0.00 0.00 55.95 55.26 1wkt s SER 83 Cb 0.00 0.63 0.01 0.00 0.10 0.00 0.00 66.02 66.76 1wkt s SER 83 CO 0.00 -1.23 0.61 -0.72 0.98 0.00 0.00 173.24 172.89 1wkt s TYR 84 N -3.74 0.06 0.01 5.02 -0.85 -1.26 -0.45 117.35 116.14 1wkt s TYR 84 Ca 0.22 -0.48 -0.00 0.00 -0.52 0.00 0.00 57.07 56.29 1wkt s TYR 84 Cb -0.01 0.48 -0.01 0.00 0.38 0.00 0.00 41.96 42.79 1wkt s TYR 84 CO 0.11 -1.13 -0.01 1.03 -1.52 0.00 0.00 175.55 174.02 1wkt s ARG 85 N -3.95 0.23 0.96 -3.49 0.52 0.03 -4.42 118.95 108.83 1wkt s ARG 85 Ca 0.16 -0.42 -0.11 0.00 -0.52 0.00 0.00 55.73 54.84 1wkt s ARG 85 Cb -0.04 0.08 0.17 0.00 0.52 0.00 0.00 34.95 35.69 1wkt s ARG 85 CO 0.08 -0.04 1.10 1.03 0.02 0.00 0.00 175.30 177.49 1wkt s ARG 86 N -1.03 0.68 0.00 3.54 1.81 -1.26 -0.37 118.95 122.32 1wkt s ARG 86 Ca -0.11 1.17 0.00 0.00 -1.72 0.00 0.00 55.73 55.07 1wkt s ARG 86 Cb -0.07 -1.72 0.00 0.00 -0.45 0.00 0.00 34.95 32.71 1wkt s ARG 86 CO -0.01 -2.74 0.00 1.33 -0.68 0.00 0.00 175.30 173.20 1wkt n VAL 87 N -4.27 0.00 -1.32 3.52 0.24 -0.12 -4.57 118.33 111.81 1wkt n VAL 87 Ca 0.08 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.38 1wkt n VAL 87 Cb 0.53 -0.37 0.00 0.00 -1.47 0.00 0.00 33.84 32.54 1wkt n VAL 87 CO 0.00 0.00 0.00 1.21 -2.14 0.00 0.00 176.83 175.90