#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 -6.15 -4.56 1.61 8.00 -1.26 -4.90 116.55 109.29 1wkt n ASP 2 Ca 0.00 0.77 -0.36 0.00 0.71 0.00 0.00 54.79 55.91 1wkt n ASP 2 Cb 0.00 -2.74 0.08 0.00 -0.02 0.00 0.00 41.12 38.44 1wkt n ASP 2 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1wkt n GLY 3 N 0.42 -0.81 3.61 0.44 0.00 -1.26 -3.89 105.19 103.69 1wkt n GLY 3 Ca 0.00 -0.35 -0.03 0.00 0.00 0.00 0.00 46.02 45.64 1wkt n GLY 3 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1wkt s TYR 4 N -1.85 -0.08 -0.44 1.61 -0.85 -1.26 -4.82 117.35 109.65 1wkt s TYR 4 Ca 0.71 0.05 0.09 0.00 -0.52 0.00 0.00 57.07 57.40 1wkt s TYR 4 Cb -0.35 0.51 0.34 0.00 0.38 0.00 0.00 41.96 42.85 1wkt s TYR 4 CO 0.53 -0.14 0.80 -0.11 -1.52 0.00 0.00 175.55 175.11 1wkt n LEU 5 N -0.09 2.11 -5.00 -3.49 7.94 -1.26 -0.81 117.00 116.41 1wkt n LEU 5 Ca 0.01 -5.24 -0.22 0.00 -1.11 0.00 0.00 56.01 49.45 1wkt n LEU 5 Cb 0.58 0.27 0.07 0.00 0.53 0.00 0.00 43.42 44.87 1wkt n LEU 5 CO 0.09 2.31 0.44 0.27 -1.11 0.00 0.00 177.39 179.39 1wkt s ILE 6 N -3.13 2.34 0.17 1.96 -4.36 -1.26 -4.73 121.20 112.19 1wkt s ILE 6 Ca 0.43 -0.71 -0.00 0.00 -0.26 0.00 0.00 60.65 60.11 1wkt s ILE 6 Cb 0.32 -2.63 -0.04 0.00 1.25 0.00 0.00 42.46 41.36 1wkt s ILE 6 CO -0.10 0.00 0.07 0.00 0.24 0.00 0.00 174.94 175.15 1wkt s MET 7 N -4.90 1.09 0.12 0.37 0.23 -1.24 -3.03 119.30 111.93 1wkt s MET 7 Ca 0.62 -1.54 -0.09 0.00 -1.03 0.00 0.00 55.69 53.65 1wkt s MET 7 Cb -0.07 0.09 -0.00 0.00 -1.53 0.00 0.00 34.83 33.32 1wkt s MET 7 CO 0.41 -0.27 0.23 0.00 -2.03 0.00 0.00 175.02 173.36 1wkt h LYS 9 N 2.65 0.00 0.00 0.00 1.57 -1.75 -0.86 116.57 118.18 1wkt h LYS 9 Ca -0.33 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.45 1wkt h LYS 9 Cb 1.21 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.52 1wkt h LYS 9 CO 0.53 0.68 0.00 0.27 -0.57 0.00 0.00 179.45 180.35 1wkt n ASN 10 N -3.16 1.39 -0.71 0.86 6.94 -1.26 -4.45 115.26 114.87 1wkt n ASN 10 Ca -0.09 -0.60 0.12 0.00 -0.02 0.00 0.00 54.58 53.99 1wkt n ASN 10 Cb 0.98 0.00 0.34 0.00 -2.36 0.00 0.00 39.78 38.74 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 -1.67 2.85 0.66 0.00 2.15 -1.26 -4.86 116.67 114.54 1wkt s ASP 12 Ca 0.34 -0.90 0.41 0.00 0.43 0.00 0.00 52.55 52.84 1wkt s ASP 12 Cb 0.19 -0.29 2.29 0.00 -0.30 0.00 0.00 42.92 44.81 1wkt s ASP 12 CO 0.29 -0.39 2.32 1.55 -0.17 0.00 0.00 175.17 178.78 1wkt h PRO 13 N 8.41 0.00 -0.44 4.34 0.13 -1.89 0.81 132.00 143.37 1wkt h PRO 13 Ca -0.17 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 64.92 1wkt h PRO 13 Cb 1.09 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.20 1wkt h PRO 13 CO 0.35 0.00 0.13 -0.97 -0.23 0.00 0.00 178.00 177.28 1wkt h ASN 14 N 0.00 0.64 -0.21 1.44 -0.73 -2.01 -3.32 115.58 111.40 1wkt h ASN 14 Ca 0.00 -0.21 0.00 0.00 1.87 0.00 0.00 56.30 57.96 1wkt h ASN 14 Cb 0.06 -0.17 0.00 0.00 0.27 0.00 0.00 38.32 38.48 1wkt h ASN 14 CO -0.00 0.69 0.00 0.35 -0.37 0.00 0.00 177.43 178.10 1wkt n THR 15 N -4.55 1.41 -3.90 -3.57 -2.24 -0.69 -4.96 114.28 95.78 1wkt n THR 15 Ca 0.00 -1.35 -0.15 0.00 -2.27 0.00 0.00 64.05 60.28 1wkt n THR 15 Cb 0.19 0.24 -0.15 0.00 -2.10 0.00 0.00 70.33 68.51 1wkt n THR 15 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 1wkt s GLY 16 N -1.44 0.15 -0.80 3.38 0.00 0.19 -5.00 107.32 103.82 1wkt s GLY 16 Ca 0.23 0.13 -0.25 0.00 0.00 0.00 0.00 44.72 44.83 1wkt s GLY 16 CO 0.09 0.41 1.84 -1.35 0.00 0.00 0.00 173.10 174.09 1wkt s SER 17 N 0.70 5.35 0.42 1.64 1.04 -1.26 -4.36 113.70 117.23 1wkt s SER 17 Ca -0.06 -0.35 -0.22 0.00 0.48 0.00 0.00 55.95 55.79 1wkt s SER 17 Cb -0.09 -2.55 -0.10 0.00 0.10 0.00 0.00 66.02 63.38 1wkt s SER 17 CO -0.02 -2.46 1.00 0.00 0.98 0.00 0.00 173.24 172.74 1wkt s ASP 19 N -1.89 6.76 -0.76 0.00 1.47 -0.49 -4.98 116.67 116.78 1wkt s ASP 19 Ca 0.61 0.91 0.03 0.00 1.18 0.00 0.00 52.55 55.28 1wkt s ASP 19 Cb -0.15 -2.32 0.33 0.00 -0.34 0.00 0.00 42.92 40.44 1wkt s ASP 19 CO 0.20 -0.04 1.31 0.79 0.68 0.00 0.00 175.17 178.10 1wkt n TRP 20 N 3.75 3.54 -2.85 2.11 7.02 -1.26 -3.70 117.44 126.05 1wkt n TRP 20 Ca -0.05 -3.41 -0.23 0.00 -1.02 0.00 0.00 57.50 52.79 1wkt n TRP 20 Cb 0.51 -0.77 0.02 0.00 -2.42 0.00 0.00 31.31 28.65 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 -3.82 2.93 0.37 -0.99 -0.14 -1.26 -5.08 119.74 111.75 1wkt s LYS 21 Ca 0.45 -0.51 -0.26 0.00 -1.36 0.00 0.00 55.97 54.29 1wkt s LYS 21 Cb 0.25 -2.52 -0.09 0.00 -1.68 0.00 0.00 37.83 33.79 1wkt s LYS 21 CO -0.14 -0.41 1.11 -1.14 -0.76 0.00 0.00 175.35 174.01 1wkt s GLN 22 N -4.64 4.24 0.00 1.68 0.74 -1.26 -4.91 119.66 115.51 1wkt s GLN 22 Ca 0.51 1.71 0.00 0.00 0.05 0.00 0.00 55.36 57.63 1wkt s GLN 22 Cb -0.10 -2.76 0.00 0.00 1.10 0.00 0.00 33.01 31.25 1wkt s GLN 22 CO 0.39 -0.12 0.00 0.09 -0.55 0.00 0.00 175.29 175.10 1wkt n ASN 23 N 0.30 1.00 -4.62 6.67 3.02 -1.26 -4.92 115.26 115.45 1wkt n ASN 23 Ca 0.03 -0.14 -0.43 0.00 -0.03 0.00 0.00 54.58 54.01 1wkt n ASN 23 Cb 0.47 0.49 -0.02 0.00 -0.61 0.00 0.00 39.78 40.11 1wkt n ASN 23 CO 0.00 0.00 0.00 0.26 -2.62 0.00 0.00 177.26 174.90 1wkt s TRP 24 N -0.69 2.87 -1.02 3.10 0.52 -1.26 -3.12 118.94 119.35 1wkt s TRP 24 Ca 0.00 0.89 -0.04 0.00 0.02 0.00 0.00 56.10 56.97 1wkt s TRP 24 Cb 0.00 -4.11 0.00 0.00 -1.15 0.00 0.00 33.47 28.21 1wkt s TRP 24 CO 0.00 -1.22 0.87 -1.71 0.02 0.00 0.00 176.95 174.91 1wkt n ASN 25 N 7.58 -3.85 -3.84 2.95 5.15 -1.26 -4.94 115.26 117.04 1wkt n ASN 25 Ca 0.13 -0.46 -0.12 0.00 -0.60 0.00 0.00 54.58 53.53 1wkt n ASN 25 Cb 0.48 -4.14 -0.12 0.00 -0.53 0.00 0.00 39.78 35.46 1wkt n ASN 25 CO 0.00 0.00 0.00 0.28 1.40 0.00 0.00 177.26 178.94 1wkt s THR 26 N -3.27 0.01 -1.32 -0.44 -1.32 -1.24 -5.01 115.64 103.06 1wkt s THR 26 Ca 0.25 -0.10 -0.17 0.00 -1.21 0.00 0.00 61.69 60.45 1wkt s THR 26 Cb -0.11 -0.20 0.05 0.00 -1.51 0.00 0.00 72.50 70.73 1wkt s THR 26 CO 0.58 -0.06 1.85 0.00 -2.21 0.00 0.00 174.62 174.79 1wkt s VAL 28 N 4.38 5.18 0.10 0.00 1.01 -0.43 -4.80 120.40 125.85 1wkt s VAL 28 Ca 0.53 0.87 -0.21 0.00 0.00 0.00 0.00 61.98 63.17 1wkt s VAL 28 Cb 0.06 -3.79 -0.07 0.00 0.00 0.00 0.00 36.38 32.58 1wkt s VAL 28 CO 0.05 0.28 0.64 -0.83 0.00 0.00 0.00 175.10 175.24 1wkt s GLY 29 N 0.82 2.75 0.20 4.51 0.00 -1.26 -0.75 107.32 113.60 1wkt s GLY 29 Ca 0.23 0.14 0.02 0.00 0.00 0.00 0.00 44.72 45.12 1wkt s GLY 29 CO 0.09 0.62 0.02 -0.42 0.00 0.00 0.00 173.10 173.41 1wkt s ILE 30 N -1.06 0.67 -3.50 0.90 -1.09 0.11 -4.93 121.20 112.29 1wkt s ILE 30 Ca 0.31 -1.99 0.00 0.00 -2.23 0.00 0.00 60.65 56.74 1wkt s ILE 30 Cb -0.21 -2.26 0.00 0.00 -1.58 0.00 0.00 42.46 38.41 1wkt s ILE 30 CO 0.21 -0.35 0.00 0.61 -1.23 0.00 0.00 174.94 174.19 1wkt n GLY 31 N -0.31 -1.42 2.32 6.18 0.00 -1.26 -4.43 105.19 106.28 1wkt n GLY 31 Ca -0.05 -1.11 -0.05 0.00 0.00 0.00 0.00 46.02 44.82 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 -3.03 -0.87 4.61 0.00 -1.26 -3.97 120.51 115.99 1wkt n ALA 32 Ca 0.00 0.71 0.00 0.00 0.00 0.00 0.00 53.44 54.15 1wkt n ALA 32 Cb 0.00 -2.24 0.00 0.00 0.00 0.00 0.00 19.45 17.21 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 -0.33 -1.80 -4.55 0.00 3.02 -1.26 -4.98 115.26 105.36 1wkt n ASN 33 Ca 0.07 0.00 -0.43 0.00 -0.03 0.00 0.00 54.58 54.19 1wkt n ASN 33 Cb 0.27 -1.40 -0.06 0.00 -0.61 0.00 0.00 39.78 37.98 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 -2.21 4.72 0.00 2.41 1.01 -1.25 -4.30 120.40 120.77 1wkt s VAL 34 Ca 0.00 0.49 0.10 0.00 0.00 0.00 0.00 61.98 62.57 1wkt s VAL 34 Cb 0.00 -4.25 0.17 0.00 0.00 0.00 0.00 36.38 32.29 1wkt s VAL 34 CO 0.00 -0.60 1.00 0.00 0.00 0.00 0.00 175.10 175.50 1wkt n HIS 35 N 6.52 0.00 -3.69 5.22 1.44 -1.05 -4.81 115.22 118.84 1wkt n HIS 35 Ca 0.01 -0.29 -0.24 0.00 -2.01 0.00 0.00 57.72 55.19 1wkt n HIS 35 Cb 0.48 0.05 -0.17 0.00 0.12 0.00 0.00 29.99 30.47 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 0.00 0.50 -0.38 -1.40 0.52 -0.35 0.02 118.94 117.85 1wkt s TRP 36 Ca 0.13 -0.30 -0.26 0.00 0.02 0.00 0.00 56.10 55.69 1wkt s TRP 36 Cb 0.15 -0.76 0.02 0.00 -1.15 0.00 0.00 33.47 31.72 1wkt s TRP 36 CO -0.07 -0.43 0.91 1.41 0.02 0.00 0.00 176.95 178.80 1wkt s MET 37 N 2.03 3.80 -0.41 4.98 1.75 0.11 0.27 119.30 131.84 1wkt s MET 37 Ca 0.03 0.51 0.03 0.00 -1.25 0.00 0.00 55.69 55.00 1wkt s MET 37 Cb -0.15 -3.82 0.11 0.00 2.84 0.00 0.00 34.83 33.82 1wkt s MET 37 CO -0.07 -0.97 0.14 0.08 -0.65 0.00 0.00 175.02 173.55 1wkt s VAL 38 N 3.47 2.53 -0.08 10.11 1.01 -1.17 -1.06 120.40 135.21 1wkt s VAL 38 Ca 0.37 -2.61 -0.03 0.00 0.00 0.00 0.00 61.98 59.71 1wkt s VAL 38 Cb -0.12 -2.81 -0.04 0.00 0.00 0.00 0.00 36.38 33.42 1wkt s VAL 38 CO 0.19 -0.67 0.06 0.28 0.00 0.00 0.00 175.10 174.96 1wkt s THR 39 N 0.56 4.78 0.29 3.92 -1.32 -0.97 -4.20 115.64 118.70 1wkt s THR 39 Ca 0.13 -0.14 -0.01 0.00 -1.21 0.00 0.00 61.69 60.46 1wkt s THR 39 Cb -0.21 -3.07 0.06 0.00 -1.51 0.00 0.00 72.50 67.76 1wkt s THR 39 CO -0.05 0.55 0.39 0.61 -2.21 0.00 0.00 174.62 173.91 1wkt n GLY 40 N 1.88 0.58 2.05 6.08 0.00 0.01 -0.65 105.19 115.15 1wkt n GLY 40 Ca -0.18 -1.96 -0.23 0.00 0.00 0.00 0.00 46.02 43.65 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 2.04 4.59 0.22 -0.02 0.00 -1.25 -2.95 105.19 107.82 1wkt n GLY 41 Ca 0.06 -1.37 -0.06 0.00 0.00 0.00 0.00 46.02 44.66 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 -0.54 -0.55 -2.56 1.61 7.64 -1.26 -1.66 113.62 116.30 1wkt n SER 42 Ca 0.47 0.99 -0.13 0.00 1.01 0.00 0.00 58.87 61.22 1wkt n SER 42 Cb 0.97 -0.15 0.03 0.00 -1.01 0.00 0.00 64.21 64.04 1wkt n SER 42 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 1wkt n THR 43 N -4.47 1.63 0.00 0.44 -2.24 -1.26 -4.77 114.28 103.60 1wkt n THR 43 Ca 0.01 -3.61 0.00 0.00 -2.27 0.00 0.00 64.05 58.18 1wkt n THR 43 Cb 0.13 0.14 0.00 0.00 -2.10 0.00 0.00 70.33 68.50 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 -0.42 0.00 0.00 3.42 2.03 -0.67 -0.66 116.55 120.26 1wkt n ASP 44 Ca 0.21 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.52 1wkt n ASP 44 Cb 0.81 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 41.21 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 0.00 3.24 3.59 0.27 0.00 -1.26 -5.06 105.19 105.96 1wkt n GLY 45 Ca 0.00 -0.72 -0.42 0.00 0.00 0.00 0.00 46.02 44.88 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 3.34 0.87 1.61 1.02 0.17 -4.57 119.74 122.18 1wkt s LYS 46 Ca 0.00 0.77 -0.15 0.00 0.02 0.00 0.00 55.97 56.61 1wkt s LYS 46 Cb 0.00 -4.12 -0.06 0.00 -0.52 0.00 0.00 37.83 33.13 1wkt s LYS 46 CO 0.00 -1.87 -0.01 0.00 -0.92 0.00 0.00 175.35 172.55 1wkt n GLN 47 N 8.47 -0.03 -4.36 1.68 10.64 -1.26 -4.51 117.38 128.00 1wkt n GLN 47 Ca 0.16 0.02 -0.34 0.00 -1.83 0.00 0.00 57.00 55.01 1wkt n GLN 47 Cb 0.49 -1.49 -0.11 0.00 -0.86 0.00 0.00 30.24 28.27 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 -1.46 1.79 0.09 2.61 0.00 -0.34 -4.83 107.32 105.18 1wkt s GLY 48 Ca 0.53 -0.81 0.03 0.00 0.00 0.00 0.00 44.72 44.48 1wkt s GLY 48 CO 0.70 -0.28 -0.10 0.00 0.00 0.00 0.00 173.10 173.42 1wkt s ALA 50 N -2.48 -0.13 -0.12 0.00 0.00 -0.38 -0.41 121.76 118.24 1wkt s ALA 50 Ca 0.05 -0.32 -0.25 0.00 0.00 0.00 0.00 51.96 51.44 1wkt s ALA 50 Cb -0.03 0.12 -0.02 0.00 0.00 0.00 0.00 23.12 23.19 1wkt s ALA 50 CO -0.00 -0.18 0.81 0.99 0.00 0.00 0.00 175.76 177.38 1wkt s THR 51 N -1.37 4.93 -0.11 0.00 2.01 -0.12 -0.49 115.64 120.49 1wkt s THR 51 Ca -0.15 1.63 0.03 0.00 0.31 0.00 0.00 61.69 63.51 1wkt s THR 51 Cb -0.08 -4.13 0.00 0.00 0.01 0.00 0.00 72.50 68.30 1wkt s THR 51 CO 0.00 0.11 -0.22 -0.63 -0.69 0.00 0.00 174.62 173.20 1wkt s ILE 52 N 1.59 1.93 0.16 1.82 1.01 0.22 -0.75 121.20 127.18 1wkt s ILE 52 Ca 0.40 -0.93 0.07 0.00 0.00 0.00 0.00 60.65 60.19 1wkt s ILE 52 Cb -0.17 -1.69 -0.04 0.00 0.01 0.00 0.00 42.46 40.56 1wkt s ILE 52 CO 0.16 0.53 -0.02 0.26 0.00 0.00 0.00 174.94 175.87 1wkt s TRP 53 N 0.54 2.83 0.07 3.97 0.51 0.63 -0.60 118.94 126.90 1wkt s TRP 53 Ca -0.15 -0.13 -0.19 0.00 -2.12 0.00 0.00 56.10 53.51 1wkt s TRP 53 Cb -0.17 -1.39 -0.10 0.00 -0.81 0.00 0.00 33.47 31.00 1wkt s TRP 53 CO 0.05 0.50 1.45 1.49 -0.51 0.00 0.00 176.95 179.93 1wkt h GLU 54 N 2.88 0.44 -7.27 4.98 4.57 -0.91 0.69 114.58 119.97 1wkt h GLU 54 Ca -0.47 -0.18 -0.50 0.00 -1.18 0.00 0.00 59.36 57.03 1wkt h GLU 54 Cb 1.20 -0.02 0.07 0.00 -0.16 0.00 0.00 28.75 29.84 1wkt h GLU 54 CO 0.57 0.70 0.38 0.20 -1.18 0.00 0.00 179.01 179.68 1wkt s GLY 55 N -3.29 1.88 -0.15 1.92 0.00 0.76 -3.78 107.32 104.66 1wkt s GLY 55 Ca -0.14 0.19 -0.29 0.00 0.00 0.00 0.00 44.72 44.48 1wkt s GLY 55 CO 0.76 0.49 1.11 -0.56 0.00 0.00 0.00 173.10 174.90 1wkt s SER 56 N -3.39 7.10 0.00 1.64 0.01 -1.26 -2.07 113.70 115.74 1wkt s SER 56 Ca 0.60 1.57 0.00 0.00 1.31 0.00 0.00 55.95 59.42 1wkt s SER 56 Cb -0.14 -2.55 0.00 0.00 0.21 0.00 0.00 66.02 63.54 1wkt s SER 56 CO 0.46 -0.61 0.00 0.61 0.41 0.00 0.00 173.24 174.11 1wkt n GLY 57 N 3.32 0.87 3.92 3.44 0.00 -1.26 -4.56 105.19 110.91 1wkt n GLY 57 Ca 0.11 -0.59 -0.35 0.00 0.00 0.00 0.00 46.02 45.19 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 -3.67 1.07 0.00 0.00 -7.23 -1.26 -4.99 120.40 104.32 1wkt s VAL 59 Ca 0.34 -2.00 0.00 0.00 -1.81 0.00 0.00 61.98 58.51 1wkt s VAL 59 Cb -0.15 -2.42 0.00 0.00 0.56 0.00 0.00 36.38 34.37 1wkt s VAL 59 CO 0.91 0.00 0.00 0.61 -0.31 0.00 0.00 175.10 176.31 1wkt n GLY 60 N -1.02 -1.74 3.79 2.32 0.00 -1.26 -0.17 105.19 107.11 1wkt n GLY 60 Ca -0.10 -1.69 -0.31 0.00 0.00 0.00 0.00 46.02 43.92 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 2.53 0.09 1.61 3.52 -1.26 -4.76 118.95 120.67 1wkt s ARG 61 Ca 0.00 1.00 -0.07 0.00 -0.13 0.00 0.00 55.73 56.53 1wkt s ARG 61 Cb 0.00 -1.94 -0.01 0.00 -1.56 0.00 0.00 34.95 31.44 1wkt s ARG 61 CO 0.00 -1.40 0.14 -1.54 -0.81 0.00 0.00 175.30 171.69 1wkt s SER 62 N -3.64 0.21 0.25 -2.12 1.04 -1.26 -0.52 113.70 107.66 1wkt s SER 62 Ca 0.60 -0.77 0.08 0.00 0.48 0.00 0.00 55.95 56.34 1wkt s SER 62 Cb -0.15 0.31 -0.04 0.00 0.10 0.00 0.00 66.02 66.24 1wkt s SER 62 CO 0.55 -0.71 0.07 0.28 0.98 0.00 0.00 173.24 174.41 1wkt s THR 63 N -3.89 3.83 -0.32 2.02 -1.32 0.23 -4.97 115.64 111.22 1wkt s THR 63 Ca 0.07 -1.69 -0.06 0.00 -1.21 0.00 0.00 61.69 58.80 1wkt s THR 63 Cb 0.06 -3.04 0.03 0.00 -1.51 0.00 0.00 72.50 68.03 1wkt s THR 63 CO -0.10 -0.34 0.08 -0.89 -2.21 0.00 0.00 174.62 171.16 1wkt s THR 64 N -2.20 3.69 -0.16 5.08 2.01 -1.26 -0.61 115.64 122.19 1wkt s THR 64 Ca 0.32 -1.04 0.02 0.00 0.31 0.00 0.00 61.69 61.29 1wkt s THR 64 Cb -0.07 -3.03 0.02 0.00 0.01 0.00 0.00 72.50 69.42 1wkt s THR 64 CO 0.22 -0.08 -0.21 -0.32 -0.69 0.00 0.00 174.62 173.53 1wkt s MET 65 N 1.41 3.00 0.13 4.92 1.75 0.35 -4.99 119.30 125.87 1wkt s MET 65 Ca -0.01 -0.84 0.04 0.00 -1.25 0.00 0.00 55.69 53.63 1wkt s MET 65 Cb -0.19 -2.50 -0.04 0.00 2.84 0.00 0.00 34.83 34.94 1wkt s MET 65 CO 0.02 -0.11 0.11 0.00 -0.65 0.00 0.00 175.02 174.38 1wkt s PRO 68 N -0.34 -0.98 0.05 0.00 0.04 -1.26 -1.20 135.00 131.31 1wkt s PRO 68 Ca -0.05 0.49 -0.23 0.00 0.04 0.00 0.00 61.00 61.25 1wkt s PRO 68 Cb -0.03 -1.57 -0.06 0.00 0.04 0.00 0.00 34.50 32.87 1wkt s PRO 68 CO 0.02 -3.67 0.71 0.00 0.04 0.00 0.00 177.00 174.10 1wkt s ALA 69 N -2.64 3.43 -0.93 8.56 0.00 -1.26 -3.67 121.76 125.24 1wkt s ALA 69 Ca 0.68 0.21 -0.06 0.00 0.00 0.00 0.00 51.96 52.79 1wkt s ALA 69 Cb -0.20 -2.90 -0.02 0.00 0.00 0.00 0.00 23.12 20.00 1wkt s ALA 69 CO 0.61 0.15 0.78 0.09 0.00 0.00 0.00 175.76 177.39 1wkt n ASN 70 N 2.53 -6.68 -3.71 0.00 3.02 0.17 -4.82 115.26 105.77 1wkt n ASN 70 Ca -0.05 -0.55 -0.14 0.00 -0.03 0.00 0.00 54.58 53.82 1wkt n ASN 70 Cb 0.50 -4.58 -0.14 0.00 -0.61 0.00 0.00 39.78 34.96 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 -3.22 -0.14 -0.24 3.41 2.01 -1.13 -5.01 115.64 111.33 1wkt s THR 71 Ca 0.25 0.21 -0.22 0.00 0.31 0.00 0.00 61.69 62.24 1wkt s THR 71 Cb -0.05 -0.34 -0.01 0.00 0.01 0.00 0.00 72.50 72.10 1wkt s THR 71 CO 0.78 0.09 0.72 0.00 -0.69 0.00 0.00 174.62 175.52 1wkt s ASN 74 N 1.61 6.16 -0.46 0.00 2.47 -1.26 -0.71 114.94 122.74 1wkt s ASN 74 Ca 0.03 1.55 -0.28 0.00 0.42 0.00 0.00 52.86 54.58 1wkt s ASN 74 Cb -0.18 -2.53 0.00 0.00 -1.45 0.00 0.00 41.25 37.10 1wkt s ASN 74 CO -0.15 -1.45 1.50 -0.63 -3.72 0.00 0.00 177.10 172.65 1wkt s ILE 75 N 5.94 3.77 -0.03 -5.21 1.09 0.10 -4.95 121.20 121.91 1wkt s ILE 75 Ca 0.77 0.73 0.01 0.00 -1.10 0.00 0.00 60.65 61.05 1wkt s ILE 75 Cb -0.25 -4.19 0.03 0.00 -1.06 0.00 0.00 42.46 36.99 1wkt s ILE 75 CO 0.32 -0.86 -0.01 0.20 -0.10 0.00 0.00 174.94 174.49 1wkt s ASN 76 N 4.70 0.55 0.00 3.58 -0.87 -1.26 -4.78 114.94 116.85 1wkt s ASN 76 Ca 0.61 -0.05 0.00 0.00 -1.57 0.00 0.00 52.86 51.85 1wkt s ASN 76 Cb -0.14 -0.27 0.00 0.00 -0.02 0.00 0.00 41.25 40.82 1wkt s ASN 76 CO 0.29 -0.09 0.00 0.35 -2.57 0.00 0.00 177.10 175.09 1wkt n THR 77 N 4.12 0.00 0.83 1.60 -2.24 -1.26 -5.02 114.28 112.30 1wkt n THR 77 Ca -0.26 0.00 0.05 0.00 -2.27 0.00 0.00 64.05 61.57 1wkt n THR 77 Cb 0.50 0.00 0.15 0.00 -2.10 0.00 0.00 70.33 68.88 1wkt n THR 77 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1wkt n GLY 78 N 3.38 0.80 3.43 3.38 0.00 -1.26 -4.90 105.19 110.02 1wkt n GLY 78 Ca 0.00 -0.36 -0.13 0.00 0.00 0.00 0.00 46.02 45.52 1wkt n GLY 78 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1wkt s PHE 79 N -1.60 1.00 0.45 1.61 -0.71 -1.26 -5.14 117.98 112.34 1wkt s PHE 79 Ca 0.22 -1.22 -0.22 0.00 -1.04 0.00 0.00 56.93 54.67 1wkt s PHE 79 Cb 0.12 -0.19 -0.08 0.00 -1.21 0.00 0.00 43.02 41.66 1wkt s PHE 79 CO 0.13 -0.97 1.06 -0.47 -1.34 0.00 0.00 175.22 173.63 1wkt s TYR 80 N -3.55 3.07 -0.01 3.49 5.04 -1.26 -5.05 117.35 119.08 1wkt s TYR 80 Ca 0.32 1.60 0.04 0.00 -2.44 0.00 0.00 57.07 56.58 1wkt s TYR 80 Cb 0.01 -3.13 -0.03 0.00 0.35 0.00 0.00 41.96 39.16 1wkt s TYR 80 CO 0.17 -0.86 -0.13 0.96 -1.34 0.00 0.00 175.55 174.35 1wkt s ILE 81 N -1.81 3.18 0.08 3.14 -0.00 -1.26 -4.26 121.20 120.27 1wkt s ILE 81 Ca 0.64 -0.84 0.00 0.00 -0.00 0.00 0.00 60.65 60.45 1wkt s ILE 81 Cb -0.20 -2.31 0.00 0.00 -0.00 0.00 0.00 42.46 39.95 1wkt s ILE 81 CO 0.24 0.48 0.00 0.54 -0.00 0.00 0.00 174.94 176.20 1wkt n ARG 82 N 1.91 0.00 -2.68 0.37 1.74 0.13 -4.77 116.66 113.37 1wkt n ARG 82 Ca -0.16 0.00 -0.22 0.00 -0.77 0.00 0.00 57.85 56.70 1wkt n ARG 82 Cb 0.52 -0.05 0.06 0.00 -1.02 0.00 0.00 32.46 31.98 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 -4.62 4.96 0.24 0.55 0.01 -0.56 0.05 113.70 114.33 1wkt s SER 83 Ca 0.00 -0.24 -0.17 0.00 1.31 0.00 0.00 55.95 56.85 1wkt s SER 83 Cb 0.00 -0.45 0.01 0.00 0.21 0.00 0.00 66.02 65.79 1wkt s SER 83 CO 0.00 -1.39 0.57 -0.72 0.41 0.00 0.00 173.24 172.11 1wkt s TYR 84 N -2.86 0.02 -0.14 2.43 1.13 0.07 -0.27 117.35 117.73 1wkt s TYR 84 Ca 0.61 -0.41 -0.11 0.00 -1.41 0.00 0.00 57.07 55.75 1wkt s TYR 84 Cb -0.08 0.43 0.04 0.00 -1.10 0.00 0.00 41.96 41.25 1wkt s TYR 84 CO 0.40 -1.05 0.36 0.50 -2.51 0.00 0.00 175.55 173.25 1wkt s ARG 85 N -3.94 0.39 0.95 -3.49 3.00 0.08 -1.31 118.95 114.63 1wkt s ARG 85 Ca 0.14 0.57 -0.12 0.00 -1.00 0.00 0.00 55.73 55.33 1wkt s ARG 85 Cb -0.03 0.11 0.16 0.00 0.00 0.00 0.00 34.95 35.20 1wkt s ARG 85 CO 0.04 -0.09 1.09 0.50 0.00 0.00 0.00 175.30 176.84 1wkt s ARG 86 N 0.61 0.79 0.00 5.12 3.00 -1.18 -0.95 118.95 126.35 1wkt s ARG 86 Ca -0.03 0.78 0.00 0.00 -1.00 0.00 0.00 55.73 55.47 1wkt s ARG 86 Cb -0.05 -1.76 0.00 0.00 0.00 0.00 0.00 34.95 33.14 1wkt s ARG 86 CO -0.04 -2.55 0.00 1.33 0.00 0.00 0.00 175.30 174.04 1wkt n VAL 87 N -4.09 0.00 -0.97 7.11 0.24 0.45 -4.53 118.33 116.54 1wkt n VAL 87 Ca 0.06 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.36 1wkt n VAL 87 Cb 0.55 -0.02 0.00 0.00 -1.47 0.00 0.00 33.84 32.91 1wkt n VAL 87 CO 0.00 0.00 0.00 1.21 -2.14 0.00 0.00 176.83 175.90