#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 -8.13 -4.15 1.61 9.92 -1.26 -4.84 116.55 109.71 1wkt n ASP 2 Ca 0.00 1.51 -0.29 0.00 -0.53 0.00 0.00 54.79 55.48 1wkt n ASP 2 Cb 0.00 -4.42 0.27 0.00 -0.64 0.00 0.00 41.12 36.32 1wkt n ASP 2 CO 0.00 0.00 0.00 -0.83 0.13 0.00 0.00 177.20 176.50 1wkt s GLY 3 N -0.49 1.50 0.21 0.44 0.00 -1.26 -4.68 107.32 103.05 1wkt s GLY 3 Ca -0.00 -0.40 -0.21 0.00 0.00 0.00 0.00 44.72 44.11 1wkt s GLY 3 CO 0.00 0.43 1.01 -2.52 0.00 0.00 0.00 173.10 172.02 1wkt s TYR 4 N -2.42 0.08 -0.36 1.90 -0.85 -1.26 -4.81 117.35 109.62 1wkt s TYR 4 Ca 0.69 -0.52 0.03 0.00 -0.52 0.00 0.00 57.07 56.75 1wkt s TYR 4 Cb -0.21 0.72 0.16 0.00 0.38 0.00 0.00 41.96 43.01 1wkt s TYR 4 CO 0.62 -1.01 0.41 -1.17 -1.52 0.00 0.00 175.55 172.88 1wkt s LEU 5 N -3.38 -0.32 -0.00 -3.49 0.20 -1.26 -0.15 118.68 110.28 1wkt s LEU 5 Ca 0.21 -1.33 0.02 0.00 0.69 0.00 0.00 54.13 53.72 1wkt s LEU 5 Cb -0.03 0.79 -0.04 0.00 -0.43 0.00 0.00 46.19 46.48 1wkt s LEU 5 CO 0.06 -0.26 -0.01 0.27 -0.29 0.00 0.00 176.35 176.12 1wkt s ILE 6 N 1.63 4.08 0.05 6.68 -4.36 -1.22 -4.73 121.20 123.34 1wkt s ILE 6 Ca 0.16 -0.62 -0.30 0.00 -0.26 0.00 0.00 60.65 59.62 1wkt s ILE 6 Cb -0.13 -2.81 -0.05 0.00 1.25 0.00 0.00 42.46 40.72 1wkt s ILE 6 CO -0.08 0.38 1.04 0.00 0.24 0.00 0.00 174.94 176.53 1wkt s MET 7 N -1.53 4.55 0.18 0.37 0.00 -1.26 -2.37 119.30 119.24 1wkt s MET 7 Ca 0.19 1.54 0.05 0.00 0.00 0.00 0.00 55.69 57.46 1wkt s MET 7 Cb -0.11 -3.40 -0.04 0.00 0.00 0.00 0.00 34.83 31.28 1wkt s MET 7 CO 0.10 -0.05 0.22 0.00 0.00 0.00 0.00 175.02 175.29 1wkt h LYS 9 N 2.01 1.06 0.00 0.00 2.10 -1.70 -3.02 116.57 117.03 1wkt h LYS 9 Ca -0.49 -0.35 0.00 0.00 -2.00 0.00 0.00 60.65 57.81 1wkt h LYS 9 Cb 1.21 -0.09 0.00 0.00 -0.90 0.00 0.00 32.23 32.45 1wkt h LYS 9 CO 0.64 1.05 0.00 0.27 -2.00 0.00 0.00 179.45 179.41 1wkt n ASN 10 N -4.17 0.81 -0.17 7.07 6.94 -1.26 -2.94 115.26 121.54 1wkt n ASN 10 Ca 0.03 -0.59 0.10 0.00 -0.02 0.00 0.00 54.58 54.10 1wkt n ASN 10 Cb 0.37 0.00 0.53 0.00 -2.36 0.00 0.00 39.78 38.31 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 -1.62 5.32 0.43 0.00 -1.08 -1.26 -4.95 116.67 113.52 1wkt s ASP 12 Ca 0.31 -0.71 0.10 0.00 -0.52 0.00 0.00 52.55 51.73 1wkt s ASP 12 Cb 0.15 -1.93 0.94 0.00 -1.46 0.00 0.00 42.92 40.61 1wkt s ASP 12 CO 0.24 -0.22 2.03 1.55 0.52 0.00 0.00 175.17 179.30 1wkt h PRO 13 N 8.29 0.31 0.00 4.34 0.13 -1.97 -1.70 132.00 141.40 1wkt h PRO 13 Ca -0.30 -0.03 -0.39 0.00 -0.87 0.00 0.00 66.00 64.40 1wkt h PRO 13 Cb 1.13 -0.06 -0.06 0.00 0.13 0.00 0.00 31.00 32.14 1wkt h PRO 13 CO 0.61 0.28 -2.28 -1.71 -0.23 0.00 0.00 178.00 174.67 1wkt n ASN 14 N -4.43 1.91 -1.28 1.44 5.15 -1.26 -4.11 115.26 112.68 1wkt n ASN 14 Ca 0.00 0.33 0.09 0.00 -0.60 0.00 0.00 54.58 54.40 1wkt n ASN 14 Cb 0.13 -0.79 0.30 0.00 -0.53 0.00 0.00 39.78 38.90 1wkt n ASN 14 CO 0.00 0.00 0.00 0.35 1.40 0.00 0.00 177.26 179.01 1wkt n THR 15 N -4.25 1.61 -0.00 -0.44 -2.24 -1.26 -4.33 114.28 103.37 1wkt n THR 15 Ca -0.47 -1.22 -0.00 0.00 -2.27 0.00 0.00 64.05 60.09 1wkt n THR 15 Cb 0.82 0.21 -0.00 0.00 -2.10 0.00 0.00 70.33 69.26 1wkt n THR 15 CO 0.00 0.00 0.00 1.23 -0.57 0.00 0.00 175.07 175.73 1wkt h GLY 16 N 3.41 0.00 -0.23 3.38 0.00 -1.52 -3.48 103.07 104.63 1wkt h GLY 16 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1wkt h GLY 16 CO 0.15 0.00 0.00 -1.26 0.00 0.00 0.00 176.54 175.43 1wkt n SER 17 N -2.18 -0.58 -4.15 0.19 2.88 -1.25 -4.80 113.62 103.72 1wkt n SER 17 Ca -0.00 0.00 -0.10 0.00 -1.33 0.00 0.00 58.87 57.44 1wkt n SER 17 Cb 0.00 -0.17 -0.10 0.00 -0.75 0.00 0.00 64.21 63.19 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 -2.99 6.43 -0.30 0.00 -4.77 -0.03 -4.87 116.67 110.14 1wkt s ASP 19 Ca 0.11 -1.61 -0.06 0.00 -3.30 0.00 0.00 52.55 47.69 1wkt s ASP 19 Cb 0.05 -2.40 -0.14 0.00 -1.09 0.00 0.00 42.92 39.34 1wkt s ASP 19 CO -0.05 -1.21 3.28 0.79 0.70 0.00 0.00 175.17 178.67 1wkt n TRP 20 N 6.98 0.75 -3.81 2.11 7.02 -1.26 -4.41 117.44 124.83 1wkt n TRP 20 Ca 0.12 -1.80 -0.18 0.00 -1.02 0.00 0.00 57.50 54.62 1wkt n TRP 20 Cb 0.47 -1.61 -0.00 0.00 -2.42 0.00 0.00 31.31 27.75 1wkt n TRP 20 CO 0.00 0.00 0.00 1.63 -2.02 0.00 0.00 177.69 177.30 1wkt n LYS 21 N 2.05 0.95 -2.35 -0.99 4.76 -1.26 -5.11 118.16 116.21 1wkt n LYS 21 Ca 0.48 -2.37 -0.38 0.00 -2.87 0.00 0.00 58.31 53.18 1wkt n LYS 21 Cb 0.73 0.28 -0.02 0.00 -1.84 0.00 0.00 35.03 34.18 1wkt n LYS 21 CO 0.00 0.00 0.00 -1.14 -1.37 0.00 0.00 177.40 174.89 1wkt s GLN 22 N -3.53 4.09 0.00 1.97 2.00 -1.26 -4.92 119.66 118.01 1wkt s GLN 22 Ca 0.20 1.77 0.00 0.00 -2.00 0.00 0.00 55.36 55.33 1wkt s GLN 22 Cb -0.02 -2.66 0.00 0.00 0.80 0.00 0.00 33.01 31.13 1wkt s GLN 22 CO 0.13 -0.27 0.27 0.09 -0.50 0.00 0.00 175.29 175.01 1wkt n ASN 23 N 0.08 0.33 -4.68 6.67 3.02 -1.26 -4.98 115.26 114.44 1wkt n ASN 23 Ca 0.04 -1.07 -0.38 0.00 -0.03 0.00 0.00 54.58 53.14 1wkt n ASN 23 Cb 0.47 0.00 -0.07 0.00 -0.61 0.00 0.00 39.78 39.57 1wkt n ASN 23 CO 0.00 0.00 0.00 0.86 -2.62 0.00 0.00 177.26 175.50 1wkt s TRP 24 N -0.07 3.39 -1.45 3.10 -0.11 -1.26 -3.52 118.94 119.02 1wkt s TRP 24 Ca 0.00 0.68 -0.10 0.00 1.22 0.00 0.00 56.10 57.90 1wkt s TRP 24 Cb 0.00 -2.56 0.06 0.00 -1.50 0.00 0.00 33.47 29.47 1wkt s TRP 24 CO 0.00 -0.01 0.75 -1.71 -4.62 0.00 0.00 176.95 171.36 1wkt n ASN 25 N 4.44 -4.83 -4.12 5.86 2.85 -1.26 -4.94 115.26 113.25 1wkt n ASN 25 Ca -0.07 -0.53 -0.15 0.00 -0.11 0.00 0.00 54.58 53.72 1wkt n ASN 25 Cb 0.51 -3.90 -0.11 0.00 1.24 0.00 0.00 39.78 37.51 1wkt n ASN 25 CO 0.00 0.00 0.00 0.42 -2.11 0.00 0.00 177.26 175.57 1wkt s THR 26 N -3.15 0.79 -1.05 -0.44 -4.23 -1.26 -5.04 115.64 101.26 1wkt s THR 26 Ca 0.50 -1.29 -0.17 0.00 -1.18 0.00 0.00 61.69 59.55 1wkt s THR 26 Cb -0.25 -0.93 0.15 0.00 1.34 0.00 0.00 72.50 72.81 1wkt s THR 26 CO 0.61 -0.39 1.27 0.00 -0.54 0.00 0.00 174.62 175.57 1wkt s VAL 28 N 2.26 4.89 -0.22 0.00 1.01 0.39 -4.85 120.40 123.88 1wkt s VAL 28 Ca 0.37 1.69 -0.24 0.00 0.00 0.00 0.00 61.98 63.80 1wkt s VAL 28 Cb -0.04 -4.16 -0.01 0.00 0.00 0.00 0.00 36.38 32.17 1wkt s VAL 28 CO -0.05 0.05 0.79 -0.83 0.00 0.00 0.00 175.10 175.06 1wkt s GLY 29 N 1.10 1.90 0.35 4.51 0.00 -1.26 -0.90 107.32 113.02 1wkt s GLY 29 Ca 0.40 -0.13 -0.01 0.00 0.00 0.00 0.00 44.72 44.99 1wkt s GLY 29 CO 0.14 1.68 0.57 -0.42 0.00 0.00 0.00 173.10 175.08 1wkt s ILE 30 N 2.51 5.08 0.00 0.90 1.01 0.31 -4.96 121.20 126.04 1wkt s ILE 30 Ca 0.34 -0.34 0.00 0.00 0.00 0.00 0.00 60.65 60.65 1wkt s ILE 30 Cb -0.16 -3.85 0.00 0.00 0.01 0.00 0.00 42.46 38.46 1wkt s ILE 30 CO 0.09 -0.56 0.00 0.61 0.00 0.00 0.00 174.94 175.08 1wkt n GLY 31 N -1.74 1.73 2.22 6.18 0.00 0.23 -4.59 105.19 109.22 1wkt n GLY 31 Ca -0.04 -1.97 -0.02 0.00 0.00 0.00 0.00 46.02 44.00 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 1.86 -2.40 -1.18 4.61 0.00 -1.26 -3.93 120.51 118.22 1wkt n ALA 32 Ca 0.00 0.24 -0.06 0.00 0.00 0.00 0.00 53.44 53.61 1wkt n ALA 32 Cb 0.00 -1.19 -0.03 0.00 0.00 0.00 0.00 19.45 18.23 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 -0.98 -4.63 -3.69 0.00 3.02 -1.26 -4.98 115.26 102.74 1wkt n ASN 33 Ca 0.02 0.15 -0.30 0.00 -0.03 0.00 0.00 54.58 54.43 1wkt n ASN 33 Cb 0.39 -2.67 -0.15 0.00 -0.61 0.00 0.00 39.78 36.74 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 -1.92 0.70 -0.28 2.41 1.01 -1.25 -4.42 120.40 116.64 1wkt s VAL 34 Ca 0.00 -1.32 0.20 0.00 0.00 0.00 0.00 61.98 60.86 1wkt s VAL 34 Cb 0.00 -1.54 0.48 0.00 0.00 0.00 0.00 36.38 35.32 1wkt s VAL 34 CO 0.00 -0.70 1.24 0.00 0.00 0.00 0.00 175.10 175.64 1wkt n HIS 35 N 4.87 0.29 -4.14 5.22 1.44 -1.15 -0.60 115.22 121.14 1wkt n HIS 35 Ca -0.02 -2.00 -0.19 0.00 -2.01 0.00 0.00 57.72 53.50 1wkt n HIS 35 Cb 0.42 0.29 -0.16 0.00 0.12 0.00 0.00 29.99 30.66 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 -2.64 0.63 -0.22 -1.40 0.52 -1.14 -0.06 118.94 114.63 1wkt s TRP 36 Ca 0.22 -0.15 -0.07 0.00 0.02 0.00 0.00 56.10 56.13 1wkt s TRP 36 Cb 0.36 -0.55 -0.03 0.00 -1.15 0.00 0.00 33.47 32.10 1wkt s TRP 36 CO -0.07 -0.14 0.04 1.41 0.02 0.00 0.00 176.95 178.22 1wkt s MET 37 N 0.68 3.69 -0.18 4.98 1.75 -0.13 -0.58 119.30 129.51 1wkt s MET 37 Ca -0.09 -0.47 0.01 0.00 -1.25 0.00 0.00 55.69 53.89 1wkt s MET 37 Cb -0.12 -3.22 0.03 0.00 2.84 0.00 0.00 34.83 34.37 1wkt s MET 37 CO -0.00 -0.04 -0.12 0.08 -0.65 0.00 0.00 175.02 174.28 1wkt s VAL 38 N 1.20 1.65 0.43 10.11 1.01 -1.00 -0.52 120.40 133.28 1wkt s VAL 38 Ca 0.04 -0.86 0.07 0.00 0.00 0.00 0.00 61.98 61.22 1wkt s VAL 38 Cb -0.14 -1.64 0.07 0.00 0.00 0.00 0.00 36.38 34.67 1wkt s VAL 38 CO 0.03 0.31 0.59 1.07 0.00 0.00 0.00 175.10 177.10 1wkt n THR 39 N 4.71 0.00 -1.48 3.92 5.66 -1.25 -3.40 114.28 122.44 1wkt n THR 39 Ca -0.16 -1.39 -0.47 0.00 -3.05 0.00 0.00 64.05 58.98 1wkt n THR 39 Cb 0.48 -0.67 -0.03 0.00 -1.55 0.00 0.00 70.33 68.56 1wkt n THR 39 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1wkt n GLY 40 N -0.17 -1.04 0.07 1.09 0.00 0.79 -4.56 105.19 101.37 1wkt n GLY 40 Ca 0.12 0.36 -0.12 0.00 0.00 0.00 0.00 46.02 46.38 1wkt n GLY 40 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1wkt h GLY 41 N 1.59 -0.02 -1.03 -0.02 0.00 -1.91 0.13 103.07 101.81 1wkt h GLY 41 Ca -0.34 0.01 -0.43 0.00 0.00 0.00 0.00 47.33 46.57 1wkt h GLY 41 CO 0.59 -0.01 0.02 -0.56 0.00 0.00 0.00 176.54 176.59 1wkt s SER 42 N -6.04 0.92 -1.34 0.19 0.01 -1.26 -3.62 113.70 102.56 1wkt s SER 42 Ca -0.16 1.34 -0.05 0.00 1.31 0.00 0.00 55.95 58.39 1wkt s SER 42 Cb -0.02 -2.07 0.02 0.00 0.21 0.00 0.00 66.02 64.17 1wkt s SER 42 CO 0.61 -4.21 0.91 0.35 0.41 0.00 0.00 173.24 171.31 1wkt n THR 43 N -4.91 -4.03 -0.81 1.44 -2.24 -1.26 -4.22 114.28 98.25 1wkt n THR 43 Ca 0.04 -0.31 -0.36 0.00 -2.27 0.00 0.00 64.05 61.15 1wkt n THR 43 Cb 0.56 -3.88 -0.12 0.00 -2.10 0.00 0.00 70.33 64.79 1wkt n THR 43 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 1wkt n ASP 44 N -3.02 1.09 0.00 3.42 2.03 -1.24 -0.59 116.55 118.24 1wkt n ASP 44 Ca -0.17 -2.49 0.00 0.00 0.52 0.00 0.00 54.79 52.64 1wkt n ASP 44 Cb 0.62 -0.86 0.00 0.00 -0.72 0.00 0.00 41.12 40.17 1wkt n ASP 44 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1wkt n GLY 45 N 5.33 0.72 3.55 0.27 0.00 -1.26 -4.97 105.19 108.83 1wkt n GLY 45 Ca 0.45 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 46.08 1wkt n GLY 45 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1wkt s LYS 46 N 0.00 3.15 0.60 1.61 1.02 0.24 -4.77 119.74 121.59 1wkt s LYS 46 Ca 0.00 -0.35 -0.18 0.00 0.02 0.00 0.00 55.97 55.46 1wkt s LYS 46 Cb 0.00 -4.62 -0.03 0.00 -0.52 0.00 0.00 37.83 32.66 1wkt s LYS 46 CO 0.00 -2.37 1.17 1.14 -0.92 0.00 0.00 175.35 174.37 1wkt s GLN 47 N 5.86 2.98 0.07 1.68 -2.07 -1.26 -4.07 119.66 122.86 1wkt s GLN 47 Ca 0.46 1.71 0.07 0.00 -1.82 0.00 0.00 55.36 55.78 1wkt s GLN 47 Cb -0.06 -1.94 -0.04 0.00 -1.09 0.00 0.00 33.01 29.87 1wkt s GLN 47 CO 0.08 -1.17 -0.12 0.20 -1.32 0.00 0.00 175.29 172.95 1wkt s GLY 48 N -1.80 1.72 0.07 2.60 0.00 -1.19 -4.97 107.32 103.76 1wkt s GLY 48 Ca 0.75 -1.21 0.04 0.00 0.00 0.00 0.00 44.72 44.29 1wkt s GLY 48 CO 0.33 -1.15 -0.11 0.00 0.00 0.00 0.00 173.10 172.17 1wkt s ALA 50 N -1.60 0.74 -0.34 0.00 0.00 0.09 -0.88 121.76 119.77 1wkt s ALA 50 Ca -0.03 -0.58 -0.26 0.00 0.00 0.00 0.00 51.96 51.09 1wkt s ALA 50 Cb -0.08 -0.10 0.01 0.00 0.00 0.00 0.00 23.12 22.95 1wkt s ALA 50 CO 0.01 0.12 0.95 0.99 0.00 0.00 0.00 175.76 177.82 1wkt s THR 51 N -0.70 4.60 0.26 0.00 2.01 0.15 -0.33 115.64 121.63 1wkt s THR 51 Ca -0.01 1.36 -0.14 0.00 0.31 0.00 0.00 61.69 63.21 1wkt s THR 51 Cb -0.06 -4.32 -0.08 0.00 0.01 0.00 0.00 72.50 68.04 1wkt s THR 51 CO 0.00 -0.46 0.65 -0.63 -0.69 0.00 0.00 174.62 173.49 1wkt s ILE 52 N 3.43 4.76 0.10 1.82 -1.09 -0.04 -1.29 121.20 128.90 1wkt s ILE 52 Ca 0.39 0.85 0.07 0.00 -2.23 0.00 0.00 60.65 59.72 1wkt s ILE 52 Cb -0.12 -3.67 -0.03 0.00 -1.58 0.00 0.00 42.46 37.06 1wkt s ILE 52 CO 0.16 -0.03 -0.17 0.26 -1.23 0.00 0.00 174.94 173.93 1wkt s TRP 53 N -1.80 1.51 -0.04 3.97 0.51 0.62 -1.00 118.94 122.72 1wkt s TRP 53 Ca 0.48 -0.47 0.04 0.00 -2.12 0.00 0.00 56.10 54.03 1wkt s TRP 53 Cb -0.12 -0.82 -0.25 0.00 -0.81 0.00 0.00 33.47 31.48 1wkt s TRP 53 CO 0.19 0.16 0.70 1.49 -0.51 0.00 0.00 176.95 178.98 1wkt h GLU 54 N 3.90 0.12 -6.81 4.98 4.81 -0.68 -3.14 114.58 117.76 1wkt h GLU 54 Ca -0.42 -0.21 -0.52 0.00 -0.13 0.00 0.00 59.36 58.08 1wkt h GLU 54 Cb 1.19 0.08 0.05 0.00 0.63 0.00 0.00 28.75 30.70 1wkt h GLU 54 CO 0.44 0.85 0.62 0.20 -0.73 0.00 0.00 179.01 180.38 1wkt s GLY 55 N -5.14 2.85 0.28 1.92 0.00 0.47 -4.42 107.32 103.29 1wkt s GLY 55 Ca -0.09 1.16 -0.30 0.00 0.00 0.00 0.00 44.72 45.49 1wkt s GLY 55 CO 0.82 1.89 1.55 -0.56 0.00 0.00 0.00 173.10 176.80 1wkt s SER 56 N -0.33 6.45 -0.08 1.64 0.01 -1.26 -2.43 113.70 117.70 1wkt s SER 56 Ca 0.50 2.88 -0.00 0.00 1.31 0.00 0.00 55.95 60.64 1wkt s SER 56 Cb -0.38 -2.63 0.00 0.00 0.21 0.00 0.00 66.02 63.22 1wkt s SER 56 CO 0.47 -0.86 0.01 0.61 0.41 0.00 0.00 173.24 173.89 1wkt n GLY 57 N 2.11 0.47 4.03 3.44 0.00 -1.26 -4.40 105.19 109.58 1wkt n GLY 57 Ca 0.07 -0.80 -0.30 0.00 0.00 0.00 0.00 46.02 45.00 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 -3.97 1.02 0.00 0.00 -7.23 -1.25 -4.98 120.40 103.99 1wkt s VAL 59 Ca 0.11 -2.00 0.00 0.00 -1.81 0.00 0.00 61.98 58.28 1wkt s VAL 59 Cb -0.05 -2.45 0.00 0.00 0.56 0.00 0.00 36.38 34.44 1wkt s VAL 59 CO 0.92 0.00 0.00 0.61 -0.31 0.00 0.00 175.10 176.32 1wkt n GLY 60 N -0.97 -0.50 3.77 2.32 0.00 -1.26 -0.40 105.19 108.15 1wkt n GLY 60 Ca -0.09 -1.31 -0.39 0.00 0.00 0.00 0.00 46.02 44.23 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 4.28 -0.04 1.61 3.52 -1.26 -4.76 118.95 122.29 1wkt s ARG 61 Ca 0.00 1.80 -0.15 0.00 -0.13 0.00 0.00 55.73 57.25 1wkt s ARG 61 Cb 0.00 -2.84 0.03 0.00 -1.56 0.00 0.00 34.95 30.58 1wkt s ARG 61 CO 0.00 -0.11 0.33 -1.54 -0.81 0.00 0.00 175.30 173.17 1wkt s SER 62 N -1.08 -0.25 -0.16 -2.12 1.04 -1.26 -0.18 113.70 109.69 1wkt s SER 62 Ca 0.53 0.26 -0.00 0.00 0.48 0.00 0.00 55.95 57.21 1wkt s SER 62 Cb -0.30 0.42 0.04 0.00 0.10 0.00 0.00 66.02 66.28 1wkt s SER 62 CO 0.39 -0.38 -0.07 0.42 0.98 0.00 0.00 173.24 174.58 1wkt s THR 63 N -0.96 1.20 -0.93 2.02 -4.23 -0.17 -4.96 115.64 107.61 1wkt s THR 63 Ca -0.10 -0.65 -0.25 0.00 -1.18 0.00 0.00 61.69 59.51 1wkt s THR 63 Cb -0.04 -1.33 -0.07 0.00 1.34 0.00 0.00 72.50 72.39 1wkt s THR 63 CO 0.04 0.17 2.03 0.42 -0.54 0.00 0.00 174.62 176.74 1wkt s THR 64 N 1.60 3.37 -0.07 3.99 -4.23 -1.26 -0.86 115.64 118.19 1wkt s THR 64 Ca 0.01 -0.37 -0.19 0.00 -1.18 0.00 0.00 61.69 59.96 1wkt s THR 64 Cb -0.15 -3.91 -0.05 0.00 1.34 0.00 0.00 72.50 69.73 1wkt s THR 64 CO -0.08 -0.76 0.53 -0.32 -0.54 0.00 0.00 174.62 173.45 1wkt s MET 65 N 7.31 4.30 0.02 3.99 1.75 0.55 -4.93 119.30 132.30 1wkt s MET 65 Ca 0.74 0.58 0.08 0.00 -1.25 0.00 0.00 55.69 55.84 1wkt s MET 65 Cb -0.07 -3.39 -0.03 0.00 2.84 0.00 0.00 34.83 34.19 1wkt s MET 65 CO 0.03 0.26 -0.23 0.00 -0.65 0.00 0.00 175.02 174.44 1wkt s PRO 68 N 1.87 1.32 0.60 0.00 0.04 -1.26 -3.14 135.00 134.43 1wkt s PRO 68 Ca 0.01 0.64 -0.16 0.00 0.04 0.00 0.00 61.00 61.53 1wkt s PRO 68 Cb -0.15 -1.83 -0.03 0.00 0.04 0.00 0.00 34.50 32.52 1wkt s PRO 68 CO -0.07 -2.15 1.07 0.00 0.04 0.00 0.00 177.00 175.89 1wkt s ALA 69 N -3.05 2.70 -1.35 8.56 0.00 -1.26 -2.41 121.76 124.95 1wkt s ALA 69 Ca 0.63 0.45 -0.10 0.00 0.00 0.00 0.00 51.96 52.95 1wkt s ALA 69 Cb -0.17 -3.25 0.01 0.00 0.00 0.00 0.00 23.12 19.71 1wkt s ALA 69 CO 0.56 -0.86 0.45 0.09 0.00 0.00 0.00 175.76 176.00 1wkt n ASN 70 N -2.00 -1.65 -3.49 0.00 3.02 0.44 -4.64 115.26 106.94 1wkt n ASN 70 Ca 0.09 -1.10 -0.20 0.00 -0.03 0.00 0.00 54.58 53.34 1wkt n ASN 70 Cb 0.53 -2.64 -0.13 0.00 -0.61 0.00 0.00 39.78 36.93 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 -3.88 -0.28 -0.02 3.41 2.01 -1.01 -5.06 115.64 110.80 1wkt s THR 71 Ca 0.17 -0.28 -0.30 0.00 0.31 0.00 0.00 61.69 61.59 1wkt s THR 71 Cb -0.08 -0.77 -0.04 0.00 0.01 0.00 0.00 72.50 71.62 1wkt s THR 71 CO 0.92 -0.34 1.25 0.00 -0.69 0.00 0.00 174.62 175.76 1wkt s ASN 74 N -0.54 5.17 -1.20 0.00 2.47 -1.26 -0.96 114.94 118.62 1wkt s ASN 74 Ca 0.08 -0.79 -0.08 0.00 0.42 0.00 0.00 52.86 52.49 1wkt s ASN 74 Cb -0.09 -1.88 0.22 0.00 -1.45 0.00 0.00 41.25 38.04 1wkt s ASN 74 CO -0.01 -0.22 1.67 -0.38 -3.72 0.00 0.00 177.10 174.44 1wkt n ILE 75 N 4.86 4.67 -3.82 -5.21 -0.00 0.91 -4.78 119.36 116.00 1wkt n ILE 75 Ca -0.14 -4.98 -0.29 0.00 -0.00 0.00 0.00 62.75 57.35 1wkt n ILE 75 Cb 0.47 -2.29 -0.12 0.00 -0.00 0.00 0.00 39.64 37.70 1wkt n ILE 75 CO 0.00 0.00 0.00 0.21 -0.00 0.00 0.00 176.55 176.76 1wkt s ASN 76 N 0.21 4.11 0.95 4.38 3.84 -1.26 -4.77 114.94 122.40 1wkt s ASN 76 Ca 0.37 -3.37 -0.13 0.00 0.21 0.00 0.00 52.86 49.94 1wkt s ASN 76 Cb 0.06 -1.40 0.16 0.00 -0.55 0.00 0.00 41.25 39.52 1wkt s ASN 76 CO 0.03 -0.16 1.14 0.42 -2.79 0.00 0.00 177.10 175.74 1wkt s THR 77 N -0.71 1.97 0.31 -5.21 -4.23 -1.26 -4.96 115.64 101.55 1wkt s THR 77 Ca 0.23 0.00 -0.00 0.00 -1.18 0.00 0.00 61.69 60.74 1wkt s THR 77 Cb -0.12 -2.70 0.21 0.00 1.34 0.00 0.00 72.50 71.23 1wkt s THR 77 CO -0.10 0.00 1.91 1.23 -0.54 0.00 0.00 174.62 177.11 1wkt h GLY 78 N -1.65 0.92 -1.63 3.99 0.00 -2.02 -3.42 103.07 99.26 1wkt h GLY 78 Ca -0.51 -0.44 -0.49 0.00 0.00 0.00 0.00 47.33 45.90 1wkt h GLY 78 CO 0.58 0.42 0.21 -0.11 0.00 0.00 0.00 176.54 177.65 1wkt s PHE 79 N -5.47 3.41 0.03 5.60 -0.71 -1.26 -5.06 117.98 114.52 1wkt s PHE 79 Ca -0.10 0.82 -0.25 0.00 -1.04 0.00 0.00 56.93 56.36 1wkt s PHE 79 Cb 0.16 -2.64 -0.05 0.00 -1.21 0.00 0.00 43.02 39.28 1wkt s PHE 79 CO 0.79 -0.68 0.78 -0.47 -1.34 0.00 0.00 175.22 174.30 1wkt s TYR 80 N -2.98 3.72 -0.13 3.49 5.04 -1.26 -4.99 117.35 120.23 1wkt s TYR 80 Ca 0.52 1.48 -0.14 0.00 -2.44 0.00 0.00 57.07 56.49 1wkt s TYR 80 Cb -0.11 -2.85 -0.05 0.00 0.35 0.00 0.00 41.96 39.31 1wkt s TYR 80 CO 0.47 0.23 0.31 0.96 -1.34 0.00 0.00 175.55 176.18 1wkt s ILE 81 N 0.12 5.27 -0.02 3.14 -0.00 -1.26 -4.71 121.20 123.75 1wkt s ILE 81 Ca 0.40 0.59 0.00 0.00 -0.00 0.00 0.00 60.65 61.64 1wkt s ILE 81 Cb -0.20 -3.64 -0.01 0.00 -0.00 0.00 0.00 42.46 38.61 1wkt s ILE 81 CO 0.23 0.43 -0.01 0.54 -0.00 0.00 0.00 174.94 176.13 1wkt n ARG 82 N 3.21 1.02 -3.90 0.37 3.00 -1.21 -4.46 116.66 114.68 1wkt n ARG 82 Ca -0.12 0.01 -0.09 0.00 -0.01 0.00 0.00 57.85 57.63 1wkt n ARG 82 Cb 0.52 -1.04 -0.05 0.00 0.00 0.00 0.00 32.46 31.90 1wkt n ARG 82 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.63 176.09 1wkt s SER 83 N -3.92 -0.13 0.17 0.55 1.04 -1.19 -0.53 113.70 109.69 1wkt s SER 83 Ca -0.02 -0.75 -0.01 0.00 0.48 0.00 0.00 55.95 55.65 1wkt s SER 83 Cb 0.01 0.56 -0.04 0.00 0.10 0.00 0.00 66.02 66.65 1wkt s SER 83 CO 0.05 -1.08 0.08 -0.72 0.98 0.00 0.00 173.24 172.55 1wkt s TYR 84 N -3.96 1.04 -0.00 5.02 -0.85 -0.08 -0.27 117.35 118.25 1wkt s TYR 84 Ca 0.16 -1.26 0.01 0.00 -0.52 0.00 0.00 57.07 55.46 1wkt s TYR 84 Cb -0.00 -0.55 -0.00 0.00 0.38 0.00 0.00 41.96 41.78 1wkt s TYR 84 CO 0.03 -0.52 -0.03 0.50 -1.52 0.00 0.00 175.55 174.01 1wkt s ARG 85 N -4.07 0.23 0.76 -3.49 3.52 -0.41 -0.47 118.95 115.03 1wkt s ARG 85 Ca 0.30 -0.10 -0.15 0.00 -0.13 0.00 0.00 55.73 55.65 1wkt s ARG 85 Cb 0.07 -0.23 0.01 0.00 -1.56 0.00 0.00 34.95 33.23 1wkt s ARG 85 CO 0.06 0.06 0.77 0.54 -0.81 0.00 0.00 175.30 175.92 1wkt n ARG 86 N 3.05 0.28 0.00 5.12 5.12 -1.23 -0.67 116.66 128.32 1wkt n ARG 86 Ca -0.13 0.15 0.00 0.00 -1.93 0.00 0.00 57.85 55.94 1wkt n ARG 86 Cb 0.59 -2.07 0.00 0.00 -1.16 0.00 0.00 32.46 29.82 1wkt n ARG 86 CO 0.00 0.00 0.00 1.33 -1.93 0.00 0.00 177.63 177.03 1wkt n VAL 87 N -2.72 0.00 -1.45 1.55 0.24 -0.06 -4.47 118.33 111.42 1wkt n VAL 87 Ca 0.11 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.41 1wkt n VAL 87 Cb 0.50 -0.77 0.00 0.00 -1.47 0.00 0.00 33.84 32.10 1wkt n VAL 87 CO 0.00 0.00 0.00 -1.84 -2.14 0.00 0.00 176.83 172.85