#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wkt n ASP 2 N 0.00 -4.96 -4.67 1.61 5.68 -1.24 -4.84 116.55 108.12 1wkt n ASP 2 Ca 0.00 0.56 -0.31 0.00 -0.50 0.00 0.00 54.79 54.54 1wkt n ASP 2 Cb 0.00 -2.22 -0.09 0.00 -1.14 0.00 0.00 41.12 37.67 1wkt n ASP 2 CO 0.00 0.00 0.00 -0.83 -1.33 0.00 0.00 177.20 175.04 1wkt s GLY 3 N -0.68 1.89 0.46 6.12 0.00 -1.26 -3.55 107.32 110.29 1wkt s GLY 3 Ca 0.00 -1.05 -0.11 0.00 0.00 0.00 0.00 44.72 43.56 1wkt s GLY 3 CO 0.00 -0.98 0.85 -2.52 0.00 0.00 0.00 173.10 170.45 1wkt s TYR 4 N -1.20 3.49 -0.17 1.90 -0.85 0.66 -4.82 117.35 116.36 1wkt s TYR 4 Ca 0.23 1.14 -0.05 0.00 -0.52 0.00 0.00 57.07 57.87 1wkt s TYR 4 Cb -0.12 -2.53 0.07 0.00 0.38 0.00 0.00 41.96 39.76 1wkt s TYR 4 CO 0.14 -0.25 0.12 -1.17 -1.52 0.00 0.00 175.55 172.88 1wkt s LEU 5 N -4.14 0.22 -0.16 -3.49 0.20 -1.26 -1.34 118.68 108.71 1wkt s LEU 5 Ca 0.53 -0.48 -0.04 0.00 0.69 0.00 0.00 54.13 54.83 1wkt s LEU 5 Cb -0.10 -0.08 0.06 0.00 -0.43 0.00 0.00 46.19 45.63 1wkt s LEU 5 CO 0.35 -0.34 0.07 0.27 -0.29 0.00 0.00 176.35 176.41 1wkt s ILE 6 N 2.19 0.07 0.48 6.68 -5.25 -0.22 -4.78 121.20 120.37 1wkt s ILE 6 Ca 0.03 -0.20 -0.21 0.00 -0.99 0.00 0.00 60.65 59.28 1wkt s ILE 6 Cb -0.16 -0.65 -0.08 0.00 2.95 0.00 0.00 42.46 44.53 1wkt s ILE 6 CO -0.09 -0.20 1.09 0.00 -1.79 0.00 0.00 174.94 173.94 1wkt s MET 7 N 2.07 3.72 0.14 0.37 0.23 -1.26 -2.67 119.30 121.89 1wkt s MET 7 Ca 0.02 1.55 0.06 0.00 -1.03 0.00 0.00 55.69 56.28 1wkt s MET 7 Cb -0.16 -2.20 -0.04 0.00 -1.53 0.00 0.00 34.83 30.90 1wkt s MET 7 CO -0.08 -0.53 -0.13 0.00 -2.03 0.00 0.00 175.02 172.25 1wkt h LYS 9 N 3.16 0.07 0.00 0.00 2.10 -1.47 -2.88 116.57 117.54 1wkt h LYS 9 Ca -0.38 -0.05 0.00 0.00 -2.00 0.00 0.00 60.65 58.22 1wkt h LYS 9 Cb 1.20 0.01 0.00 0.00 -0.90 0.00 0.00 32.23 32.54 1wkt h LYS 9 CO 0.56 0.68 0.00 0.27 -2.00 0.00 0.00 179.45 178.96 1wkt n ASN 10 N -3.80 1.44 -2.08 7.07 6.94 -1.26 -3.36 115.26 120.21 1wkt n ASN 10 Ca -0.02 -0.65 -0.10 0.00 -0.02 0.00 0.00 54.58 53.79 1wkt n ASN 10 Cb 0.63 0.00 0.28 0.00 -2.36 0.00 0.00 39.78 38.33 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 -1.06 4.74 0.61 0.00 2.15 -1.26 -4.95 116.67 116.90 1wkt s ASP 12 Ca 0.56 -2.02 0.32 0.00 0.43 0.00 0.00 52.55 51.84 1wkt s ASP 12 Cb 0.45 -1.63 1.86 0.00 -0.30 0.00 0.00 42.92 43.30 1wkt s ASP 12 CO 0.13 -0.36 2.20 1.55 -0.17 0.00 0.00 175.17 178.52 1wkt h PRO 13 N 7.66 0.00 0.00 4.34 0.13 -1.98 0.21 132.00 142.36 1wkt h PRO 13 Ca -0.07 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.06 1wkt h PRO 13 Cb 1.02 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.15 1wkt h PRO 13 CO 0.52 0.00 0.00 -1.71 -0.23 0.00 0.00 178.00 176.58 1wkt n ASN 14 N -3.62 0.00 -1.77 1.44 5.15 -1.26 -4.46 115.26 110.74 1wkt n ASN 14 Ca -0.01 0.65 -0.15 0.00 -0.60 0.00 0.00 54.58 54.47 1wkt n ASN 14 Cb 0.19 -0.32 0.06 0.00 -0.53 0.00 0.00 39.78 39.19 1wkt n ASN 14 CO 0.00 0.00 0.00 1.07 1.40 0.00 0.00 177.26 179.73 1wkt n THR 15 N -1.45 2.28 -0.04 -0.44 5.66 -1.24 -4.55 114.28 114.50 1wkt n THR 15 Ca 0.00 -3.81 -0.10 0.00 -3.05 0.00 0.00 64.05 57.09 1wkt n THR 15 Cb 0.00 -0.67 0.05 0.00 -1.55 0.00 0.00 70.33 68.15 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 1.93 0.75 -2.80 1.09 0.00 -0.80 -3.49 103.07 99.75 1wkt h GLY 16 Ca 0.23 -0.80 0.00 0.00 0.00 0.00 0.00 47.33 46.76 1wkt h GLY 16 CO 0.53 0.72 -0.40 -1.26 0.00 0.00 0.00 176.54 176.12 1wkt n SER 17 N -4.01 -5.02 -3.93 0.19 2.88 -1.26 -4.15 113.62 98.31 1wkt n SER 17 Ca -0.02 0.68 -0.16 0.00 -1.33 0.00 0.00 58.87 58.03 1wkt n SER 17 Cb 0.56 -2.72 -0.15 0.00 -0.75 0.00 0.00 64.21 61.15 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 0.17 6.39 -0.11 0.00 -4.77 -0.53 -4.78 116.67 113.04 1wkt s ASP 19 Ca -0.02 -1.15 -0.01 0.00 -3.30 0.00 0.00 52.55 48.07 1wkt s ASP 19 Cb -0.05 -2.56 0.03 0.00 -1.09 0.00 0.00 42.92 39.25 1wkt s ASP 19 CO -0.00 -1.59 2.27 0.79 0.70 0.00 0.00 175.17 177.34 1wkt n TRP 20 N 8.91 0.52 -2.95 2.11 7.02 -1.26 -4.43 117.44 127.36 1wkt n TRP 20 Ca 0.22 -1.39 -0.20 0.00 -1.02 0.00 0.00 57.50 55.12 1wkt n TRP 20 Cb 0.50 -0.83 0.02 0.00 -2.42 0.00 0.00 31.31 28.58 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 -0.47 2.81 0.45 -0.99 -0.14 -1.26 -5.06 119.74 115.08 1wkt s LYS 21 Ca 0.21 -0.94 -0.25 0.00 -1.36 0.00 0.00 55.97 53.64 1wkt s LYS 21 Cb 0.13 -2.65 -0.08 0.00 -1.68 0.00 0.00 37.83 33.56 1wkt s LYS 21 CO -0.01 -0.37 1.33 -1.14 -0.76 0.00 0.00 175.35 174.40 1wkt s GLN 22 N -4.50 3.71 0.00 1.68 2.00 -1.26 -4.87 119.66 116.42 1wkt s GLN 22 Ca 0.53 2.20 0.00 0.00 -2.00 0.00 0.00 55.36 56.10 1wkt s GLN 22 Cb -0.10 -2.59 0.00 0.00 0.80 0.00 0.00 33.01 31.11 1wkt s GLN 22 CO 0.35 -0.72 0.00 0.09 -0.50 0.00 0.00 175.29 174.51 1wkt n ASN 23 N -0.25 1.15 -3.31 6.67 3.02 -1.26 -4.84 115.26 116.43 1wkt n ASN 23 Ca 0.06 0.00 -0.38 0.00 -0.03 0.00 0.00 54.58 54.23 1wkt n ASN 23 Cb 0.44 0.00 -0.02 0.00 -0.61 0.00 0.00 39.78 39.59 1wkt n ASN 23 CO 0.00 0.00 0.00 1.87 -2.62 0.00 0.00 177.26 176.51 1wkt n TRP 24 N -2.33 2.38 -0.19 3.10 -0.00 -1.26 -2.61 117.44 116.53 1wkt n TRP 24 Ca 0.00 -2.83 0.00 0.00 -0.00 0.00 0.00 57.50 54.67 1wkt n TRP 24 Cb 0.25 -2.04 0.00 0.00 -0.00 0.00 0.00 31.31 29.52 1wkt n TRP 24 CO 0.00 0.00 0.00 -1.71 -0.00 0.00 0.00 177.69 175.98 1wkt n ASN 25 N 2.37 0.00 -3.62 5.87 2.85 -1.26 -4.97 115.26 116.50 1wkt n ASN 25 Ca 0.67 -0.09 -0.10 0.00 -0.11 0.00 0.00 54.58 54.95 1wkt n ASN 25 Cb 0.28 0.00 -0.07 0.00 1.24 0.00 0.00 39.78 41.24 1wkt n ASN 25 CO 0.00 0.00 0.00 0.28 -2.11 0.00 0.00 177.26 175.43 1wkt s THR 26 N 0.00 0.00 -0.82 -0.44 -1.32 -1.22 -5.08 115.64 106.76 1wkt s THR 26 Ca 0.00 0.00 -0.25 0.00 -1.21 0.00 0.00 61.69 60.23 1wkt s THR 26 Cb 0.00 -1.00 -0.20 0.00 -1.51 0.00 0.00 72.50 69.79 1wkt s THR 26 CO 0.00 0.00 1.90 0.00 -2.21 0.00 0.00 174.62 174.31 1wkt s VAL 28 N 10.15 4.53 0.20 0.00 1.01 -0.21 -4.81 120.40 131.28 1wkt s VAL 28 Ca 0.69 1.25 -0.18 0.00 0.00 0.00 0.00 61.98 63.73 1wkt s VAL 28 Cb 0.05 -3.70 -0.08 0.00 0.00 0.00 0.00 36.38 32.66 1wkt s VAL 28 CO 0.19 -0.11 0.68 -0.83 0.00 0.00 0.00 175.10 175.03 1wkt s GLY 29 N -2.06 2.57 0.18 4.51 0.00 -1.26 -0.69 107.32 110.57 1wkt s GLY 29 Ca 0.54 0.09 0.04 0.00 0.00 0.00 0.00 44.72 45.38 1wkt s GLY 29 CO 0.18 0.42 0.28 -0.42 0.00 0.00 0.00 173.10 173.55 1wkt s ILE 30 N -1.51 5.13 0.00 0.90 1.01 0.43 -4.85 121.20 122.31 1wkt s ILE 30 Ca 0.42 -0.87 0.00 0.00 0.00 0.00 0.00 60.65 60.19 1wkt s ILE 30 Cb -0.16 -3.69 0.00 0.00 0.01 0.00 0.00 42.46 38.62 1wkt s ILE 30 CO 0.20 -0.18 0.00 0.61 0.00 0.00 0.00 174.94 175.58 1wkt n GLY 31 N -0.79 1.60 2.36 6.18 0.00 -1.26 -4.76 105.19 108.51 1wkt n GLY 31 Ca -0.08 -0.53 -0.04 0.00 0.00 0.00 0.00 46.02 45.38 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 -0.31 -3.11 -0.81 4.61 0.00 -1.26 -4.00 120.51 115.64 1wkt n ALA 32 Ca 0.00 0.64 0.00 0.00 0.00 0.00 0.00 53.44 54.08 1wkt n ALA 32 Cb 0.00 -1.94 0.00 0.00 0.00 0.00 0.00 19.45 17.51 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 -0.11 -1.82 -4.69 0.00 3.02 -1.26 -4.95 115.26 105.44 1wkt n ASN 33 Ca 0.05 0.00 -0.42 0.00 -0.03 0.00 0.00 54.58 54.18 1wkt n ASN 33 Cb 0.21 -1.84 -0.03 0.00 -0.61 0.00 0.00 39.78 37.51 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 -1.86 4.23 -0.01 2.41 1.01 -1.26 -4.74 120.40 120.18 1wkt s VAL 34 Ca 0.00 1.57 0.18 0.00 0.00 0.00 0.00 61.98 63.72 1wkt s VAL 34 Cb 0.00 -4.01 0.30 0.00 0.00 0.00 0.00 36.38 32.67 1wkt s VAL 34 CO 0.00 0.03 1.12 0.00 0.00 0.00 0.00 175.10 176.25 1wkt n HIS 35 N 4.87 0.00 -3.84 5.22 1.44 -1.21 -4.88 115.22 116.82 1wkt n HIS 35 Ca 0.10 -0.54 -0.18 0.00 -2.01 0.00 0.00 57.72 55.10 1wkt n HIS 35 Cb 0.46 0.07 -0.17 0.00 0.12 0.00 0.00 29.99 30.48 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 -0.06 0.25 -0.02 -1.40 0.52 -1.09 -0.78 118.94 116.36 1wkt s TRP 36 Ca 0.23 0.05 -0.18 0.00 0.02 0.00 0.00 56.10 56.22 1wkt s TRP 36 Cb 0.27 -0.43 -0.05 0.00 -1.15 0.00 0.00 33.47 32.11 1wkt s TRP 36 CO -0.11 -0.15 0.52 1.41 0.02 0.00 0.00 176.95 178.64 1wkt s MET 37 N 1.31 4.22 -0.02 4.98 1.75 -0.37 -0.33 119.30 130.84 1wkt s MET 37 Ca -0.06 0.59 0.02 0.00 -1.25 0.00 0.00 55.69 55.00 1wkt s MET 37 Cb -0.13 -3.32 -0.00 0.00 2.84 0.00 0.00 34.83 34.22 1wkt s MET 37 CO -0.03 0.43 -0.09 0.08 -0.65 0.00 0.00 175.02 174.77 1wkt s VAL 38 N -0.32 0.72 0.03 10.11 1.01 -1.09 -0.60 120.40 130.26 1wkt s VAL 38 Ca 0.28 -0.35 -0.09 0.00 0.00 0.00 0.00 61.98 61.82 1wkt s VAL 38 Cb -0.17 -0.63 0.00 0.00 0.00 0.00 0.00 36.38 35.58 1wkt s VAL 38 CO 0.15 0.22 0.18 0.28 0.00 0.00 0.00 175.10 175.92 1wkt s THR 39 N 0.04 0.10 -3.81 3.92 -1.32 -0.54 -1.06 115.64 112.98 1wkt s THR 39 Ca -0.00 -0.85 0.00 0.00 -1.21 0.00 0.00 61.69 59.63 1wkt s THR 39 Cb -0.06 -0.78 0.00 0.00 -1.51 0.00 0.00 72.50 70.14 1wkt s THR 39 CO 0.00 -0.47 0.00 0.61 -2.21 0.00 0.00 174.62 172.55 1wkt n GLY 40 N 0.90 -0.53 2.74 6.08 0.00 -0.45 -0.24 105.19 113.70 1wkt n GLY 40 Ca -0.20 -0.86 0.00 0.00 0.00 0.00 0.00 46.02 44.96 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 2.10 0.39 -0.02 0.00 -1.26 -0.25 105.19 106.15 1wkt n GLY 41 Ca 0.00 -0.32 -0.08 0.00 0.00 0.00 0.00 46.02 45.62 1wkt n GLY 41 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1wkt n SER 42 N 2.94 -0.92 0.00 1.61 2.88 -1.23 -4.76 113.62 114.14 1wkt n SER 42 Ca 0.00 1.70 0.00 0.00 -1.33 0.00 0.00 58.87 59.24 1wkt n SER 42 Cb 0.00 -0.26 0.00 0.00 -0.75 0.00 0.00 64.21 63.20 1wkt n SER 42 CO 0.00 0.00 0.00 1.07 -1.23 0.00 0.00 175.04 174.88 1wkt n THR 43 N -5.25 0.00 -3.66 2.46 5.66 -1.26 0.22 114.28 112.44 1wkt n THR 43 Ca 0.04 0.00 -0.02 0.00 -3.05 0.00 0.00 64.05 61.02 1wkt n THR 43 Cb 0.28 0.00 -0.01 0.00 -1.55 0.00 0.00 70.33 69.05 1wkt n THR 43 CO 0.00 0.00 0.00 -0.62 -3.05 0.00 0.00 175.07 171.40 1wkt s ASP 44 N 2.00 -0.14 0.00 1.09 2.15 -1.26 -4.93 116.67 115.58 1wkt s ASP 44 Ca 0.00 -0.22 0.00 0.00 0.43 0.00 0.00 52.55 52.76 1wkt s ASP 44 Cb 0.00 0.32 0.00 0.00 -0.30 0.00 0.00 42.92 42.94 1wkt s ASP 44 CO 0.00 -0.57 0.00 0.61 -0.17 0.00 0.00 175.17 175.04 1wkt n GLY 45 N -0.43 3.09 2.78 2.66 0.00 -1.26 -4.93 105.19 107.10 1wkt n GLY 45 Ca -0.07 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.53 1wkt n GLY 45 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1wkt n LYS 46 N -1.21 3.43 -1.43 1.61 5.02 -1.26 -4.61 118.16 119.71 1wkt n LYS 46 Ca 0.00 -3.20 -0.44 0.00 -2.02 0.00 0.00 58.31 52.66 1wkt n LYS 46 Cb 0.00 -3.02 -0.01 0.00 -0.02 0.00 0.00 35.03 31.98 1wkt n LYS 46 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1wkt n GLN 47 N 4.43 0.44 -5.27 1.97 10.64 -1.26 -4.38 117.38 123.96 1wkt n GLN 47 Ca 0.46 0.16 -0.31 0.00 -1.83 0.00 0.00 57.00 55.47 1wkt n GLN 47 Cb 0.36 -1.34 -0.16 0.00 -0.86 0.00 0.00 30.24 28.24 1wkt n GLN 47 CO 0.00 0.00 0.00 0.20 -1.83 0.00 0.00 177.06 175.43 1wkt s GLY 48 N -0.91 1.29 0.15 2.61 0.00 0.18 -4.85 107.32 105.79 1wkt s GLY 48 Ca 0.62 -1.08 0.08 0.00 0.00 0.00 0.00 44.72 44.35 1wkt s GLY 48 CO 0.59 -0.77 -0.19 0.00 0.00 0.00 0.00 173.10 172.73 1wkt s ALA 50 N -1.81 0.54 -0.07 0.00 0.00 -0.03 -0.71 121.76 119.69 1wkt s ALA 50 Ca 0.13 -0.45 -0.22 0.00 0.00 0.00 0.00 51.96 51.42 1wkt s ALA 50 Cb -0.07 -0.07 -0.04 0.00 0.00 0.00 0.00 23.12 22.94 1wkt s ALA 50 CO 0.06 0.08 0.63 0.99 0.00 0.00 0.00 175.76 177.51 1wkt s THR 51 N -0.59 5.06 0.03 0.00 2.01 0.30 -0.24 115.64 122.21 1wkt s THR 51 Ca -0.02 1.29 0.07 0.00 0.31 0.00 0.00 61.69 63.34 1wkt s THR 51 Cb -0.05 -3.97 -0.03 0.00 0.01 0.00 0.00 72.50 68.46 1wkt s THR 51 CO 0.00 0.30 -0.19 -0.63 -0.69 0.00 0.00 174.62 173.41 1wkt s ILE 52 N 0.58 2.68 0.02 1.82 1.01 0.19 -0.91 121.20 126.59 1wkt s ILE 52 Ca 0.34 -1.18 0.04 0.00 0.00 0.00 0.00 60.65 59.85 1wkt s ILE 52 Cb -0.17 -2.10 -0.02 0.00 0.01 0.00 0.00 42.46 40.18 1wkt s ILE 52 CO 0.16 0.37 -0.13 0.26 0.00 0.00 0.00 174.94 175.60 1wkt s TRP 53 N -0.88 1.16 0.07 3.97 0.51 0.18 -0.79 118.94 123.16 1wkt s TRP 53 Ca 0.14 -0.30 -0.26 0.00 -2.12 0.00 0.00 56.10 53.56 1wkt s TRP 53 Cb -0.10 -0.71 -0.17 0.00 -0.81 0.00 0.00 33.47 31.68 1wkt s TRP 53 CO 0.04 0.01 1.63 1.49 -0.51 0.00 0.00 176.95 179.61 1wkt h GLU 54 N 5.26 -0.24 -6.97 4.98 4.81 -0.51 -1.56 114.58 120.34 1wkt h GLU 54 Ca -0.36 0.02 -0.49 0.00 -0.13 0.00 0.00 59.36 58.40 1wkt h GLU 54 Cb 1.18 0.05 0.03 0.00 0.63 0.00 0.00 28.75 30.64 1wkt h GLU 54 CO 0.46 -0.10 0.44 0.20 -0.73 0.00 0.00 179.01 179.27 1wkt s GLY 55 N -2.29 2.75 -0.15 1.92 0.00 0.15 -1.57 107.32 108.13 1wkt s GLY 55 Ca -0.14 0.78 -0.33 0.00 0.00 0.00 0.00 44.72 45.02 1wkt s GLY 55 CO 0.64 1.22 1.98 1.44 0.00 0.00 0.00 173.10 178.39 1wkt n SER 56 N -0.18 3.22 -1.28 1.64 7.64 -1.26 -2.09 113.62 121.31 1wkt n SER 56 Ca 0.06 0.77 -0.02 0.00 1.01 0.00 0.00 58.87 60.69 1wkt n SER 56 Cb 0.49 -1.38 0.01 0.00 -1.01 0.00 0.00 64.21 62.32 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 4.96 0.41 4.11 0.23 0.00 -1.26 -4.49 105.19 109.14 1wkt n GLY 57 Ca 0.27 -0.40 -0.33 0.00 0.00 0.00 0.00 46.02 45.56 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 -3.99 0.96 0.00 0.00 -7.23 -1.25 -4.98 120.40 103.91 1wkt s VAL 59 Ca 0.16 -2.00 0.00 0.00 -1.81 0.00 0.00 61.98 58.33 1wkt s VAL 59 Cb -0.08 -2.39 0.00 0.00 0.56 0.00 0.00 36.38 34.47 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 -1.00 -1.90 3.71 2.32 0.00 -1.26 0.31 105.19 107.36 1wkt n GLY 60 Ca -0.10 -1.63 -0.42 0.00 0.00 0.00 0.00 46.02 43.87 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 4.31 0.34 1.61 3.52 -1.26 -4.54 118.95 122.92 1wkt s ARG 61 Ca 0.00 2.05 0.09 0.00 -0.13 0.00 0.00 55.73 57.74 1wkt s ARG 61 Cb 0.00 -3.36 -0.06 0.00 -1.56 0.00 0.00 34.95 29.96 1wkt s ARG 61 CO 0.00 -0.49 -0.09 -1.12 -0.81 0.00 0.00 175.30 172.80 1wkt s SER 62 N 1.40 3.58 -0.00 -2.12 0.01 -1.26 -0.06 113.70 115.25 1wkt s SER 62 Ca 0.65 -1.20 -0.16 0.00 1.31 0.00 0.00 55.95 56.55 1wkt s SER 62 Cb -0.35 -0.32 0.03 0.00 0.21 0.00 0.00 66.02 65.58 1wkt s SER 62 CO 0.29 -0.23 0.34 0.28 0.41 0.00 0.00 173.24 174.33 1wkt s THR 63 N -2.68 0.06 -0.43 1.44 -1.32 0.03 -4.99 115.64 107.76 1wkt s THR 63 Ca 0.32 -0.48 -0.24 0.00 -1.21 0.00 0.00 61.69 60.08 1wkt s THR 63 Cb 0.03 -0.73 0.02 0.00 -1.51 0.00 0.00 72.50 70.31 1wkt s THR 63 CO 0.16 -0.26 0.83 -0.89 -2.21 0.00 0.00 174.62 172.25 1wkt s THR 64 N -1.64 4.61 0.19 5.08 2.01 -1.26 -0.64 115.64 123.98 1wkt s THR 64 Ca -0.11 0.65 -0.19 0.00 0.31 0.00 0.00 61.69 62.35 1wkt s THR 64 Cb -0.04 -4.34 -0.08 0.00 0.01 0.00 0.00 72.50 68.06 1wkt s THR 64 CO 0.03 -0.69 0.67 -0.32 -0.69 0.00 0.00 174.62 173.62 1wkt s MET 65 N 3.41 4.20 -0.11 4.92 1.75 0.66 -4.98 119.30 129.15 1wkt s MET 65 Ca 0.33 0.78 -0.08 0.00 -1.25 0.00 0.00 55.69 55.47 1wkt s MET 65 Cb -0.12 -2.94 0.03 0.00 2.84 0.00 0.00 34.83 34.65 1wkt s MET 65 CO 0.23 0.44 0.27 0.00 -0.65 0.00 0.00 175.02 175.31 1wkt s PRO 68 N 0.09 -0.75 0.51 0.00 0.04 -1.26 -0.65 135.00 132.98 1wkt s PRO 68 Ca -0.01 0.92 -0.20 0.00 0.04 0.00 0.00 61.00 61.75 1wkt s PRO 68 Cb -0.05 -1.57 -0.08 0.00 0.04 0.00 0.00 34.50 32.84 1wkt s PRO 68 CO -0.00 -3.63 1.06 0.00 0.04 0.00 0.00 177.00 174.47 1wkt s ALA 69 N -2.48 2.82 -1.33 8.56 0.00 -1.26 -3.58 121.76 124.50 1wkt s ALA 69 Ca 0.68 0.64 -0.02 0.00 0.00 0.00 0.00 51.96 53.26 1wkt s ALA 69 Cb -0.25 -3.27 0.01 0.00 0.00 0.00 0.00 23.12 19.61 1wkt s ALA 69 CO 0.64 -0.44 0.77 0.09 0.00 0.00 0.00 175.76 176.82 1wkt n ASN 70 N -1.11 -1.82 -3.85 0.00 3.02 0.67 -4.73 115.26 107.45 1wkt n ASN 70 Ca 0.10 -0.79 -0.12 0.00 -0.03 0.00 0.00 54.58 53.74 1wkt n ASN 70 Cb 0.52 -4.15 -0.10 0.00 -0.61 0.00 0.00 39.78 35.44 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 -3.59 0.07 -0.14 3.41 2.01 -0.29 -4.97 115.64 112.14 1wkt s THR 71 Ca 0.10 -0.54 -0.07 0.00 0.31 0.00 0.00 61.69 61.49 1wkt s THR 71 Cb -0.05 -0.42 -0.04 0.00 0.01 0.00 0.00 72.50 72.00 1wkt s THR 71 CO 0.81 -0.30 0.11 0.00 -0.69 0.00 0.00 174.62 174.55 1wkt s ASN 74 N 1.30 7.14 -0.36 0.00 3.84 -1.26 -1.24 114.94 124.36 1wkt s ASN 74 Ca -0.07 2.22 -0.12 0.00 0.21 0.00 0.00 52.86 55.10 1wkt s ASN 74 Cb -0.13 -2.61 0.01 0.00 -0.55 0.00 0.00 41.25 37.97 1wkt s ASN 74 CO -0.04 -0.32 0.22 -0.63 -2.79 0.00 0.00 177.10 173.55 1wkt s ILE 75 N -0.23 4.92 -0.46 -5.21 1.09 0.04 -4.89 121.20 116.46 1wkt s ILE 75 Ca 0.51 -0.54 0.06 0.00 -1.10 0.00 0.00 60.65 59.58 1wkt s ILE 75 Cb -0.32 -3.63 0.20 0.00 -1.06 0.00 0.00 42.46 37.65 1wkt s ILE 75 CO 0.37 -0.12 0.59 -3.20 -0.10 0.00 0.00 174.94 172.49 1wkt n ASN 76 N 5.06 -1.93 -4.79 3.58 5.15 -1.26 -4.74 115.26 116.33 1wkt n ASN 76 Ca -0.12 -2.76 -0.30 0.00 -0.60 0.00 0.00 54.58 50.80 1wkt n ASN 76 Cb 0.48 0.69 0.10 0.00 -0.53 0.00 0.00 39.78 40.52 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 0.32 2.84 0.11 -0.44 -4.23 -1.26 -4.98 115.64 107.99 1wkt s THR 77 Ca 0.32 0.27 -0.23 0.00 -1.18 0.00 0.00 61.69 60.87 1wkt s THR 77 Cb 0.07 -2.99 -0.08 0.00 1.34 0.00 0.00 72.50 70.84 1wkt s THR 77 CO -0.14 -0.36 1.69 1.23 -0.54 0.00 0.00 174.62 176.51 1wkt h GLY 78 N -1.22 -0.11 -1.76 3.99 0.00 -2.04 -3.41 103.07 98.53 1wkt h GLY 78 Ca -0.48 0.13 -0.48 0.00 0.00 0.00 0.00 47.33 46.50 1wkt h GLY 78 CO 0.59 -0.11 0.38 -0.11 0.00 0.00 0.00 176.54 177.28 1wkt s PHE 79 N -6.16 3.24 0.07 5.60 -0.71 -1.26 -5.05 117.98 113.71 1wkt s PHE 79 Ca -0.14 1.49 -0.23 0.00 -1.04 0.00 0.00 56.93 57.01 1wkt s PHE 79 Cb 0.08 -2.90 -0.06 0.00 -1.21 0.00 0.00 43.02 38.93 1wkt s PHE 79 CO 0.67 -0.70 0.70 -0.47 -1.34 0.00 0.00 175.22 174.07 1wkt s TYR 80 N -2.52 3.79 -0.22 3.49 5.04 -1.26 -5.00 117.35 120.67 1wkt s TYR 80 Ca 0.61 1.43 -0.10 0.00 -2.44 0.00 0.00 57.07 56.57 1wkt s TYR 80 Cb -0.13 -2.71 -0.05 0.00 0.35 0.00 0.00 41.96 39.43 1wkt s TYR 80 CO 0.33 0.41 0.13 0.96 -1.34 0.00 0.00 175.55 176.05 1wkt s ILE 81 N -0.58 5.31 -0.13 3.14 -0.00 -1.26 -4.50 121.20 123.17 1wkt s ILE 81 Ca 0.34 0.16 0.12 0.00 -0.00 0.00 0.00 60.65 61.27 1wkt s ILE 81 Cb -0.21 -3.44 -0.17 0.00 -0.00 0.00 0.00 42.46 38.64 1wkt s ILE 81 CO 0.22 0.40 0.31 0.54 -0.00 0.00 0.00 174.94 176.42 1wkt n ARG 82 N 3.86 0.97 -4.18 0.37 1.74 -0.61 -4.72 116.66 114.09 1wkt n ARG 82 Ca -0.16 -0.09 -0.11 0.00 -0.77 0.00 0.00 57.85 56.73 1wkt n ARG 82 Cb 0.52 -1.23 -0.10 0.00 -1.02 0.00 0.00 32.46 30.63 1wkt n ARG 82 CO 0.00 0.00 0.00 -1.12 -1.52 0.00 0.00 177.63 174.99 1wkt s SER 83 N -3.10 0.42 0.15 0.55 0.01 -0.83 -0.42 113.70 110.47 1wkt s SER 83 Ca -0.02 -1.26 -0.16 0.00 1.31 0.00 0.00 55.95 55.82 1wkt s SER 83 Cb 0.08 0.29 0.03 0.00 0.21 0.00 0.00 66.02 66.63 1wkt s SER 83 CO 0.50 -0.74 0.43 -0.72 0.41 0.00 0.00 173.24 173.12 1wkt s TYR 84 N -4.02 -0.10 0.01 2.43 1.13 0.13 -0.65 117.35 116.28 1wkt s TYR 84 Ca 0.28 -0.23 0.01 0.00 -1.41 0.00 0.00 57.07 55.72 1wkt s TYR 84 Cb 0.07 0.27 -0.01 0.00 -1.10 0.00 0.00 41.96 41.19 1wkt s TYR 84 CO 0.05 -0.78 -0.04 1.03 -2.51 0.00 0.00 175.55 173.30 1wkt s ARG 85 N -3.85 0.33 0.71 -3.49 0.52 -0.08 -1.04 118.95 112.05 1wkt s ARG 85 Ca 0.07 -0.34 -0.15 0.00 -0.52 0.00 0.00 55.73 54.78 1wkt s ARG 85 Cb 0.01 -0.20 0.03 0.00 0.52 0.00 0.00 34.95 35.31 1wkt s ARG 85 CO -0.07 0.04 1.18 0.50 0.02 0.00 0.00 175.30 176.97 1wkt s ARG 86 N -0.65 2.28 0.00 3.54 3.00 -1.07 -0.53 118.95 125.51 1wkt s ARG 86 Ca -0.04 1.67 0.00 0.00 -1.00 0.00 0.00 55.73 56.36 1wkt s ARG 86 Cb -0.05 -1.86 0.00 0.00 0.00 0.00 0.00 34.95 33.04 1wkt s ARG 86 CO -0.00 -1.71 0.00 1.33 0.00 0.00 0.00 175.30 174.92 1wkt n VAL 87 N -2.66 0.00 -1.08 7.11 0.24 0.11 -4.68 118.33 117.37 1wkt n VAL 87 Ca 0.13 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.43 1wkt n VAL 87 Cb 0.51 0.02 0.00 0.00 -1.47 0.00 0.00 33.84 32.90 1wkt n VAL 87 CO 0.00 0.00 0.00 1.21 -2.14 0.00 0.00 176.83 175.90