#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 0.00 0.00 1.61 2.03 -1.26 -3.54 116.55 115.39 1wkt n ASP 2 Ca 0.00 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.31 1wkt n ASP 2 Cb 0.00 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.40 1wkt n ASP 2 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1wkt n GLY 3 N 0.00 3.96 3.77 0.27 0.00 -1.26 -4.16 105.19 107.76 1wkt n GLY 3 Ca 0.00 -1.59 -0.02 0.00 0.00 0.00 0.00 46.02 44.41 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 -2.01 -0.05 -0.06 1.61 -0.85 0.15 -4.72 117.35 111.42 1wkt s TYR 4 Ca 0.00 -0.24 -0.03 0.00 -0.52 0.00 0.00 57.07 56.28 1wkt s TYR 4 Cb 0.00 0.64 0.04 0.00 0.38 0.00 0.00 41.96 43.02 1wkt s TYR 4 CO 0.00 -0.74 0.10 -1.17 -1.52 0.00 0.00 175.55 172.22 1wkt s LEU 5 N -3.10 0.06 0.02 -3.49 0.20 -1.26 -1.11 118.68 110.00 1wkt s LEU 5 Ca 0.16 0.15 -0.04 0.00 0.69 0.00 0.00 54.13 55.09 1wkt s LEU 5 Cb -0.01 0.02 -0.01 0.00 -0.43 0.00 0.00 46.19 45.76 1wkt s LEU 5 CO 0.02 -0.25 0.05 0.27 -0.29 0.00 0.00 176.35 176.15 1wkt s ILE 6 N 2.22 0.12 0.25 6.68 -4.36 -1.26 -4.81 121.20 120.04 1wkt s ILE 6 Ca 0.04 -0.96 0.09 0.00 -0.26 0.00 0.00 60.65 59.56 1wkt s ILE 6 Cb -0.12 -0.57 -0.04 0.00 1.25 0.00 0.00 42.46 42.98 1wkt s ILE 6 CO -0.04 -0.53 0.05 0.00 0.24 0.00 0.00 174.94 174.66 1wkt s MET 7 N -1.92 2.46 0.04 0.37 0.23 -1.26 -1.49 119.30 117.73 1wkt s MET 7 Ca -0.11 -1.29 -0.08 0.00 -1.03 0.00 0.00 55.69 53.19 1wkt s MET 7 Cb -0.06 -2.29 -0.00 0.00 -1.53 0.00 0.00 34.83 30.95 1wkt s MET 7 CO -0.02 0.39 0.15 0.00 -2.03 0.00 0.00 175.02 173.51 1wkt n LYS 9 N 0.76 0.20 -4.01 0.00 4.76 -0.01 -3.01 118.16 116.85 1wkt n LYS 9 Ca -0.19 0.08 -0.14 0.00 -2.87 0.00 0.00 58.31 55.19 1wkt n LYS 9 Cb 0.59 -1.65 -0.02 0.00 -1.84 0.00 0.00 35.03 32.10 1wkt n LYS 9 CO 0.00 0.00 0.00 0.27 -1.37 0.00 0.00 177.40 176.30 1wkt n ASN 10 N -1.95 -1.58 0.00 4.39 0.23 -1.26 -4.73 115.26 110.36 1wkt n ASN 10 Ca 0.05 -2.89 0.09 0.00 -0.53 0.00 0.00 54.58 51.29 1wkt n ASN 10 Cb 0.41 2.86 0.52 0.00 -2.08 0.00 0.00 39.78 41.49 1wkt n ASN 10 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1wkt s ASP 12 N -1.68 3.82 0.65 0.00 -1.08 -1.26 -4.94 116.67 112.18 1wkt s ASP 12 Ca 0.26 -1.34 0.42 0.00 -0.52 0.00 0.00 52.55 51.37 1wkt s ASP 12 Cb 0.12 -1.02 2.31 0.00 -1.46 0.00 0.00 42.92 42.87 1wkt s ASP 12 CO 0.20 -0.32 2.35 1.55 0.52 0.00 0.00 175.17 179.48 1wkt h PRO 13 N 8.01 0.00 -0.26 4.34 0.13 -1.84 0.28 132.00 142.66 1wkt h PRO 13 Ca -0.15 0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 64.94 1wkt h PRO 13 Cb 1.06 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.17 1wkt h PRO 13 CO 0.43 0.00 -0.04 -0.97 -0.23 0.00 0.00 178.00 177.18 1wkt h ASN 14 N 0.00 0.38 0.00 1.44 -1.24 -1.99 -3.33 115.58 110.84 1wkt h ASN 14 Ca 0.00 -0.07 -0.17 0.00 0.71 0.00 0.00 56.30 56.77 1wkt h ASN 14 Cb 0.00 -0.10 -0.34 0.00 0.73 0.00 0.00 38.32 38.61 1wkt h ASN 14 CO -0.00 0.48 -0.93 1.07 -1.29 0.00 0.00 177.43 176.76 1wkt n THR 15 N -4.29 0.00 -4.57 -3.57 5.66 -0.55 -5.07 114.28 101.90 1wkt n THR 15 Ca 0.01 -0.84 -0.21 0.00 -3.05 0.00 0.00 64.05 59.95 1wkt n THR 15 Cb 0.24 0.92 -0.15 0.00 -1.55 0.00 0.00 70.33 69.79 1wkt n THR 15 CO 0.00 0.00 0.00 -0.83 -3.05 0.00 0.00 175.07 171.19 1wkt s GLY 16 N -1.83 0.63 0.10 1.09 0.00 0.87 -4.94 107.32 103.24 1wkt s GLY 16 Ca 0.28 -0.53 -0.31 0.00 0.00 0.00 0.00 44.72 44.17 1wkt s GLY 16 CO -0.14 -0.40 1.65 -1.35 0.00 0.00 0.00 173.10 172.85 1wkt s SER 17 N -0.22 6.58 -0.01 1.64 1.04 -1.26 -4.65 113.70 116.81 1wkt s SER 17 Ca 0.03 2.56 0.02 0.00 0.48 0.00 0.00 55.95 59.04 1wkt s SER 17 Cb -0.06 -2.57 0.00 0.00 0.10 0.00 0.00 66.02 63.49 1wkt s SER 17 CO -0.00 -0.88 -0.05 0.00 0.98 0.00 0.00 173.24 173.29 1wkt s ASP 19 N 0.17 6.19 -0.89 0.00 -4.77 0.03 -4.94 116.67 112.46 1wkt s ASP 19 Ca -0.02 -1.24 -0.00 0.00 -3.30 0.00 0.00 52.55 47.99 1wkt s ASP 19 Cb -0.06 -2.26 0.34 0.00 -1.09 0.00 0.00 42.92 39.85 1wkt s ASP 19 CO -0.00 -0.89 1.74 0.79 0.70 0.00 0.00 175.17 177.50 1wkt n TRP 20 N 5.90 3.03 -3.00 2.11 7.02 -1.26 -4.12 117.44 127.12 1wkt n TRP 20 Ca -0.09 -2.70 -0.12 0.00 -1.02 0.00 0.00 57.50 53.57 1wkt n TRP 20 Cb 0.44 -1.04 0.04 0.00 -2.42 0.00 0.00 31.31 28.33 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 -0.25 0.74 -1.96 -0.99 4.01 -1.26 -5.09 118.16 113.36 1wkt n LYS 21 Ca 0.47 -1.85 -0.38 0.00 -0.51 0.00 0.00 58.31 56.04 1wkt n LYS 21 Cb 0.29 -0.15 0.03 0.00 -0.51 0.00 0.00 35.03 34.68 1wkt n LYS 21 CO 0.00 0.00 0.00 -1.14 -1.11 0.00 0.00 177.40 175.15 1wkt s GLN 22 N -3.59 3.28 0.00 1.97 2.00 -1.26 -4.93 119.66 117.13 1wkt s GLN 22 Ca 0.36 2.03 0.00 0.00 -2.00 0.00 0.00 55.36 55.76 1wkt s GLN 22 Cb -0.03 -2.24 0.00 0.00 0.80 0.00 0.00 33.01 31.54 1wkt s GLN 22 CO 0.23 -1.02 0.00 0.09 -0.50 0.00 0.00 175.29 174.09 1wkt n ASN 23 N -0.98 0.00 -4.84 6.67 3.02 -1.26 -4.99 115.26 112.87 1wkt n ASN 23 Ca 0.10 -0.18 -0.34 0.00 -0.03 0.00 0.00 54.58 54.12 1wkt n ASN 23 Cb 0.47 0.00 -0.06 0.00 -0.61 0.00 0.00 39.78 39.58 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 0.00 3.46 -1.34 3.10 -0.11 -1.26 -0.75 118.94 122.04 1wkt s TRP 24 Ca 0.00 0.35 -0.03 0.00 1.22 0.00 0.00 56.10 57.64 1wkt s TRP 24 Cb 0.00 -1.83 0.02 0.00 -1.50 0.00 0.00 33.47 30.15 1wkt s TRP 24 CO 0.00 0.63 0.81 -1.71 -4.62 0.00 0.00 176.95 172.07 1wkt n ASN 25 N 1.42 -2.20 -1.75 5.86 2.85 -1.25 -4.90 115.26 115.29 1wkt n ASN 25 Ca -0.15 -0.77 -0.06 0.00 -0.11 0.00 0.00 54.58 53.49 1wkt n ASN 25 Cb 0.53 -4.22 -0.02 0.00 1.24 0.00 0.00 39.78 37.32 1wkt n ASN 25 CO 0.00 0.00 0.00 1.07 -2.11 0.00 0.00 177.26 176.22 1wkt n THR 26 N -4.37 0.00 -2.93 -0.44 5.66 -1.26 -5.12 114.28 105.81 1wkt n THR 26 Ca -0.22 -0.76 -0.14 0.00 -3.05 0.00 0.00 64.05 59.88 1wkt n THR 26 Cb 0.64 0.41 0.01 0.00 -1.55 0.00 0.00 70.33 69.85 1wkt n THR 26 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1wkt s VAL 28 N -0.35 4.66 -0.05 0.00 1.01 -1.03 -4.56 120.40 120.08 1wkt s VAL 28 Ca 0.32 -0.06 -0.29 0.00 0.00 0.00 0.00 61.98 61.96 1wkt s VAL 28 Cb 0.24 -3.19 -0.02 0.00 0.00 0.00 0.00 36.38 33.41 1wkt s VAL 28 CO -0.15 0.32 0.96 -0.83 0.00 0.00 0.00 175.10 175.39 1wkt s GLY 29 N 1.58 2.68 0.30 4.51 0.00 -1.21 -2.32 107.32 112.87 1wkt s GLY 29 Ca 0.06 0.43 0.06 0.00 0.00 0.00 0.00 44.72 45.28 1wkt s GLY 29 CO 0.06 1.71 -0.03 -0.42 0.00 0.00 0.00 173.10 174.42 1wkt s ILE 30 N 1.35 1.62 -2.84 0.90 -1.09 -1.24 -4.81 121.20 115.09 1wkt s ILE 30 Ca 0.49 -2.09 0.00 0.00 -2.23 0.00 0.00 60.65 56.82 1wkt s ILE 30 Cb -0.20 -2.58 0.00 0.00 -1.58 0.00 0.00 42.46 38.10 1wkt s ILE 30 CO 0.23 -0.20 0.00 0.61 -1.23 0.00 0.00 174.94 174.35 1wkt n GLY 31 N -0.65 -2.06 2.16 6.18 0.00 -1.26 -4.16 105.19 105.40 1wkt n GLY 31 Ca -0.05 -1.18 -0.03 0.00 0.00 0.00 0.00 46.02 44.76 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 -3.44 -0.97 4.61 0.00 -1.26 -4.45 120.51 114.99 1wkt n ALA 32 Ca 0.00 1.44 0.00 0.00 0.00 0.00 0.00 53.44 54.88 1wkt n ALA 32 Cb 0.00 -2.81 0.00 0.00 0.00 0.00 0.00 19.45 16.64 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 1.00 -3.37 -4.50 0.00 3.02 -1.26 -4.95 115.26 105.20 1wkt n ASN 33 Ca -0.25 0.00 -0.42 0.00 -0.03 0.00 0.00 54.58 53.88 1wkt n ASN 33 Cb 0.38 -1.43 -0.03 0.00 -0.61 0.00 0.00 39.78 38.09 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 -1.87 4.12 0.00 2.41 1.01 -1.26 -4.26 120.40 120.55 1wkt s VAL 34 Ca 0.00 -0.30 0.20 0.00 0.00 0.00 0.00 61.98 61.88 1wkt s VAL 34 Cb 0.00 -4.82 0.32 0.00 0.00 0.00 0.00 36.38 31.88 1wkt s VAL 34 CO 0.00 -1.66 1.12 0.00 0.00 0.00 0.00 175.10 174.56 1wkt n HIS 35 N 8.28 0.00 -3.73 5.22 1.44 -1.22 -4.80 115.22 120.41 1wkt n HIS 35 Ca 0.06 -0.45 -0.14 0.00 -2.01 0.00 0.00 57.72 55.18 1wkt n HIS 35 Cb 0.48 -0.04 -0.15 0.00 0.12 0.00 0.00 29.99 30.40 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 -0.18 -0.15 -1.40 0.52 -1.16 -0.56 118.94 116.00 1wkt s TRP 36 Ca 0.26 0.53 -0.06 0.00 0.02 0.00 0.00 56.10 56.85 1wkt s TRP 36 Cb 0.29 -0.12 -0.04 0.00 -1.15 0.00 0.00 33.47 32.45 1wkt s TRP 36 CO -0.13 -0.20 0.04 1.41 0.02 0.00 0.00 176.95 178.09 1wkt s MET 37 N 1.47 3.68 -0.61 4.98 1.75 -0.30 -0.11 119.30 130.15 1wkt s MET 37 Ca -0.06 -0.37 0.05 0.00 -1.25 0.00 0.00 55.69 54.06 1wkt s MET 37 Cb -0.12 -3.08 0.17 0.00 2.84 0.00 0.00 34.83 34.64 1wkt s MET 37 CO -0.06 0.40 0.43 0.08 -0.65 0.00 0.00 175.02 175.23 1wkt s VAL 38 N -0.02 2.21 0.19 10.11 1.01 -0.56 -0.31 120.40 133.03 1wkt s VAL 38 Ca 0.05 -3.76 -0.05 0.00 0.00 0.00 0.00 61.98 58.23 1wkt s VAL 38 Cb -0.12 -2.47 -0.05 0.00 0.00 0.00 0.00 36.38 33.74 1wkt s VAL 38 CO 0.01 -1.04 0.43 0.28 0.00 0.00 0.00 175.10 174.78 1wkt s THR 39 N -0.94 5.12 -5.00 3.92 -1.32 -0.98 -4.29 115.64 112.15 1wkt s THR 39 Ca 0.26 0.01 0.00 0.00 -1.21 0.00 0.00 61.69 60.75 1wkt s THR 39 Cb -0.05 -3.66 0.00 0.00 -1.51 0.00 0.00 72.50 67.28 1wkt s THR 39 CO -0.15 -0.08 0.00 0.61 -2.21 0.00 0.00 174.62 172.79 1wkt n GLY 40 N -0.26 0.75 0.00 6.08 0.00 -0.27 0.26 105.19 111.75 1wkt n GLY 40 Ca -0.02 -1.86 0.00 0.00 0.00 0.00 0.00 46.02 44.14 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 -0.51 0.87 0.00 -0.02 0.00 -1.26 0.34 105.19 104.60 1wkt n GLY 41 Ca 0.00 -0.06 0.00 0.00 0.00 0.00 0.00 46.02 45.96 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 0.00 0.00 0.16 1.61 7.64 -1.23 -2.66 113.62 119.14 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 -1.19 0.44 5.66 -1.26 -4.94 114.28 112.99 1wkt n THR 43 Ca 0.00 0.00 -0.18 0.00 -3.05 0.00 0.00 64.05 60.82 1wkt n THR 43 Cb 0.00 -0.05 -0.13 0.00 -1.55 0.00 0.00 70.33 68.60 1wkt n THR 43 CO 0.00 0.00 0.00 -0.90 -3.05 0.00 0.00 175.07 171.12 1wkt n ASP 44 N -3.19 5.73 -0.00 1.09 5.68 -1.26 -4.49 116.55 120.11 1wkt n ASP 44 Ca 0.00 -2.75 0.13 0.00 -0.50 0.00 0.00 54.79 51.66 1wkt n ASP 44 Cb 0.00 -1.35 0.76 0.00 -1.14 0.00 0.00 41.12 39.39 1wkt n ASP 44 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1wkt n GLY 45 N 1.90 -0.99 1.43 6.12 0.00 -1.26 -5.02 105.19 107.35 1wkt n GLY 45 Ca 0.45 -0.16 0.18 0.00 0.00 0.00 0.00 46.02 46.49 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 -0.90 -3.24 -1.30 1.61 5.02 -1.26 -4.84 118.16 113.25 1wkt n LYS 46 Ca 0.19 2.58 -0.31 0.00 -2.02 0.00 0.00 58.31 58.76 1wkt n LYS 46 Cb 0.09 -3.81 0.09 0.00 -0.02 0.00 0.00 35.03 31.38 1wkt n LYS 46 CO 0.00 0.00 0.00 1.14 -0.52 0.00 0.00 177.40 178.02 1wkt s GLN 47 N -3.96 2.31 0.29 1.97 -2.07 -1.26 -3.04 119.66 113.89 1wkt s GLN 47 Ca 0.00 1.18 -0.11 0.00 -1.82 0.00 0.00 55.36 54.61 1wkt s GLN 47 Cb 0.00 -1.90 0.01 0.00 -1.09 0.00 0.00 33.01 30.02 1wkt s GLN 47 CO 0.00 -1.61 0.53 0.20 -1.32 0.00 0.00 175.29 173.09 1wkt s GLY 48 N -3.35 0.71 0.16 2.60 0.00 -1.14 -4.91 107.32 101.39 1wkt s GLY 48 Ca 0.61 -0.99 0.06 0.00 0.00 0.00 0.00 44.72 44.41 1wkt s GLY 48 CO 0.55 -0.65 -0.12 0.00 0.00 0.00 0.00 173.10 172.88 1wkt s ALA 50 N -3.17 -0.01 -0.15 0.00 0.00 0.31 -0.32 121.76 118.43 1wkt s ALA 50 Ca 0.18 -0.01 -0.26 0.00 0.00 0.00 0.00 51.96 51.87 1wkt s ALA 50 Cb 0.01 -0.00 -0.01 0.00 0.00 0.00 0.00 23.12 23.12 1wkt s ALA 50 CO 0.03 -0.01 0.88 0.99 0.00 0.00 0.00 175.76 177.64 1wkt s THR 51 N -0.07 4.86 0.01 0.00 2.01 -0.33 -0.54 115.64 121.58 1wkt s THR 51 Ca -0.01 1.74 -0.00 0.00 0.31 0.00 0.00 61.69 63.73 1wkt s THR 51 Cb -0.01 -4.18 -0.04 0.00 0.01 0.00 0.00 72.50 68.28 1wkt s THR 51 CO -0.00 0.03 0.12 -0.63 -0.69 0.00 0.00 174.62 173.45 1wkt s ILE 52 N 2.05 4.95 0.26 1.82 1.01 -0.09 -1.02 121.20 130.19 1wkt s ILE 52 Ca 0.41 -0.40 0.10 0.00 0.00 0.00 0.00 60.65 60.76 1wkt s ILE 52 Cb -0.17 -3.31 -0.05 0.00 0.01 0.00 0.00 42.46 38.93 1wkt s ILE 52 CO 0.14 0.29 -0.15 0.26 0.00 0.00 0.00 174.94 175.47 1wkt s TRP 53 N -1.29 2.05 -0.13 3.97 0.51 0.57 -0.81 118.94 123.81 1wkt s TRP 53 Ca 0.26 -0.47 -0.28 0.00 -2.12 0.00 0.00 56.10 53.48 1wkt s TRP 53 Cb -0.12 -0.97 -0.25 0.00 -0.81 0.00 0.00 33.47 31.32 1wkt s TRP 53 CO 0.18 0.53 0.78 1.49 -0.51 0.00 0.00 176.95 179.42 1wkt h GLU 54 N 2.35 -0.00 -6.04 4.98 4.81 -0.55 0.11 114.58 120.25 1wkt h GLU 54 Ca -0.39 0.00 -0.58 0.00 -0.13 0.00 0.00 59.36 58.26 1wkt h GLU 54 Cb 1.24 0.00 -0.06 0.00 0.63 0.00 0.00 28.75 30.56 1wkt h GLU 54 CO 0.62 0.96 0.67 0.20 -0.73 0.00 0.00 179.01 180.74 1wkt s GLY 55 N -4.16 1.83 -0.41 1.92 0.00 0.11 -4.03 107.32 102.58 1wkt s GLY 55 Ca -0.19 0.14 -0.35 0.00 0.00 0.00 0.00 44.72 44.32 1wkt s GLY 55 CO 0.68 2.04 2.23 -1.26 0.00 0.00 0.00 173.10 176.79 1wkt n SER 56 N 5.99 1.89 0.00 1.64 2.88 -1.26 -1.58 113.62 123.18 1wkt n SER 56 Ca 0.10 0.37 0.00 0.00 -1.33 0.00 0.00 58.87 58.01 1wkt n SER 56 Cb 0.47 -1.22 0.00 0.00 -0.75 0.00 0.00 64.21 62.71 1wkt n SER 56 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1wkt n GLY 57 N 6.62 2.05 0.00 0.46 0.00 -1.26 -4.77 105.19 108.29 1wkt n GLY 57 Ca 0.44 -0.55 0.00 0.00 0.00 0.00 0.00 46.02 45.90 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 0.00 1.41 0.00 0.00 -7.23 -0.96 -4.96 120.40 108.66 1wkt s VAL 59 Ca 0.00 -1.93 0.00 0.00 -1.81 0.00 0.00 61.98 58.24 1wkt s VAL 59 Cb 0.00 -2.34 0.00 0.00 0.56 0.00 0.00 36.38 34.60 1wkt s VAL 59 CO 0.00 0.00 0.00 0.61 -0.31 0.00 0.00 175.10 175.40 1wkt n GLY 60 N -1.27 -1.41 3.83 2.32 0.00 -1.26 0.05 105.19 107.45 1wkt n GLY 60 Ca -0.14 -1.38 -0.33 0.00 0.00 0.00 0.00 46.02 44.17 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 4.12 0.13 1.61 3.52 -1.26 -4.72 118.95 122.35 1wkt s ARG 61 Ca 0.00 1.03 -0.05 0.00 -0.13 0.00 0.00 55.73 56.58 1wkt s ARG 61 Cb 0.00 -2.18 -0.02 0.00 -1.56 0.00 0.00 34.95 31.18 1wkt s ARG 61 CO 0.00 -0.10 0.15 -1.54 -0.81 0.00 0.00 175.30 173.00 1wkt s SER 62 N -2.49 0.20 -0.19 -2.12 1.04 -1.26 -0.08 113.70 108.80 1wkt s SER 62 Ca 0.60 -1.00 -0.10 0.00 0.48 0.00 0.00 55.95 55.93 1wkt s SER 62 Cb -0.09 0.35 0.06 0.00 0.10 0.00 0.00 66.02 66.44 1wkt s SER 62 CO 0.20 -0.79 0.44 0.42 0.98 0.00 0.00 173.24 174.49 1wkt s THR 63 N -3.99 -0.10 -0.92 2.02 -4.23 0.01 -4.98 115.64 103.46 1wkt s THR 63 Ca 0.18 0.09 -0.23 0.00 -1.18 0.00 0.00 61.69 60.55 1wkt s THR 63 Cb 0.06 -0.66 0.06 0.00 1.34 0.00 0.00 72.50 73.30 1wkt s THR 63 CO -0.01 0.04 1.32 0.42 -0.54 0.00 0.00 174.62 175.85 1wkt s THR 64 N 1.57 4.05 -0.04 3.99 -4.23 -1.26 -0.91 115.64 118.81 1wkt s THR 64 Ca -0.09 -0.64 -0.26 0.00 -1.18 0.00 0.00 61.69 59.52 1wkt s THR 64 Cb -0.08 -4.95 -0.03 0.00 1.34 0.00 0.00 72.50 68.77 1wkt s THR 64 CO -0.14 -1.81 0.82 -0.32 -0.54 0.00 0.00 174.62 172.64 1wkt s MET 65 N 4.65 4.48 -0.04 3.99 1.75 0.30 -4.91 119.30 129.53 1wkt s MET 65 Ca 0.40 1.11 0.03 0.00 -1.25 0.00 0.00 55.69 55.98 1wkt s MET 65 Cb -0.04 -3.46 0.01 0.00 2.84 0.00 0.00 34.83 34.18 1wkt s MET 65 CO -0.03 0.00 -0.11 0.00 -0.65 0.00 0.00 175.02 174.23 1wkt s PRO 68 N -0.36 -0.18 0.47 0.00 0.04 -1.26 -2.88 135.00 130.83 1wkt s PRO 68 Ca -0.05 0.57 -0.21 0.00 0.04 0.00 0.00 61.00 61.35 1wkt s PRO 68 Cb -0.03 -1.66 -0.08 0.00 0.04 0.00 0.00 34.50 32.76 1wkt s PRO 68 CO 0.02 -3.16 1.07 0.00 0.04 0.00 0.00 177.00 174.97 1wkt s ALA 69 N -2.80 2.90 -1.34 8.56 0.00 -1.17 -3.62 121.76 124.29 1wkt s ALA 69 Ca 0.67 0.70 -0.08 0.00 0.00 0.00 0.00 51.96 53.25 1wkt s ALA 69 Cb -0.21 -3.29 0.01 0.00 0.00 0.00 0.00 23.12 19.64 1wkt s ALA 69 CO 0.60 -0.40 1.16 0.09 0.00 0.00 0.00 175.76 177.21 1wkt n ASN 70 N -0.77 -5.74 -4.06 0.00 4.13 0.14 -4.84 115.26 104.12 1wkt n ASN 70 Ca 0.09 -0.56 -0.25 0.00 1.68 0.00 0.00 54.58 55.54 1wkt n ASN 70 Cb 0.51 -5.02 -0.16 0.00 -1.54 0.00 0.00 39.78 33.57 1wkt n ASN 70 CO 0.00 0.00 0.00 -0.89 0.28 0.00 0.00 177.26 176.65 1wkt s THR 71 N -3.33 1.22 -0.17 3.41 2.01 -0.50 -4.97 115.64 113.32 1wkt s THR 71 Ca 0.51 -0.55 -0.21 0.00 0.31 0.00 0.00 61.69 61.74 1wkt s THR 71 Cb -0.22 -1.10 -0.03 0.00 0.01 0.00 0.00 72.50 71.16 1wkt s THR 71 CO 0.73 0.37 0.65 0.00 -0.69 0.00 0.00 174.62 175.68 1wkt s ASN 74 N 1.08 6.24 -0.29 0.00 3.04 -1.26 -1.15 114.94 122.60 1wkt s ASN 74 Ca -0.00 0.14 -0.29 0.00 0.04 0.00 0.00 52.86 52.74 1wkt s ASN 74 Cb -0.19 -2.55 0.00 0.00 -1.54 0.00 0.00 41.25 36.97 1wkt s ASN 74 CO -0.07 -1.65 1.25 -0.63 -3.04 0.00 0.00 177.10 172.96 1wkt s ILE 75 N 5.64 4.24 -0.39 -5.21 1.09 0.27 -4.95 121.20 121.89 1wkt s ILE 75 Ca 0.47 1.42 0.03 0.00 -1.10 0.00 0.00 60.65 61.47 1wkt s ILE 75 Cb -0.09 -4.19 0.16 0.00 -1.06 0.00 0.00 42.46 37.28 1wkt s ILE 75 CO 0.24 -0.43 0.30 0.20 -0.10 0.00 0.00 174.94 175.15 1wkt s ASN 76 N 2.44 1.92 1.07 3.58 0.02 -1.26 -4.65 114.94 118.05 1wkt s ASN 76 Ca 0.54 -2.79 -0.09 0.00 -1.02 0.00 0.00 52.86 49.49 1wkt s ASN 76 Cb -0.16 -0.43 0.13 0.00 0.02 0.00 0.00 41.25 40.81 1wkt s ASN 76 CO 0.20 -0.21 0.60 0.35 0.02 0.00 0.00 177.10 178.06 1wkt n THR 77 N 3.22 0.00 0.29 1.60 -2.24 -1.26 -4.92 114.28 110.98 1wkt n THR 77 Ca 0.24 -0.35 0.18 0.00 -2.27 0.00 0.00 64.05 61.85 1wkt n THR 77 Cb 0.44 -1.41 0.81 0.00 -2.10 0.00 0.00 70.33 68.08 1wkt n THR 77 CO 0.00 0.00 0.00 1.23 -0.57 0.00 0.00 175.07 175.73 1wkt h GLY 78 N -1.27 0.00 -1.41 3.38 0.00 -2.01 -3.46 103.07 98.31 1wkt h GLY 78 Ca -0.21 0.00 -0.53 0.00 0.00 0.00 0.00 47.33 46.59 1wkt h GLY 78 CO 0.14 0.00 -0.52 -0.11 0.00 0.00 0.00 176.54 176.05 1wkt s PHE 79 N -3.80 1.78 0.08 5.60 -0.12 -1.26 -5.13 117.98 115.12 1wkt s PHE 79 Ca -0.00 -1.30 -0.26 0.00 -0.05 0.00 0.00 56.93 55.32 1wkt s PHE 79 Cb 0.10 -1.11 -0.06 0.00 -0.63 0.00 0.00 43.02 41.32 1wkt s PHE 79 CO 0.51 -0.33 0.82 -0.47 -0.05 0.00 0.00 175.22 175.70 1wkt s TYR 80 N -3.27 3.78 0.01 3.49 5.04 -1.26 -5.00 117.35 120.14 1wkt s TYR 80 Ca 0.27 1.58 -0.00 0.00 -2.44 0.00 0.00 57.07 56.48 1wkt s TYR 80 Cb 0.03 -2.88 -0.04 0.00 0.35 0.00 0.00 41.96 39.42 1wkt s TYR 80 CO 0.16 0.29 0.11 0.96 -1.34 0.00 0.00 175.55 175.72 1wkt s ILE 81 N -0.18 4.89 0.00 3.14 -0.00 -1.26 -4.44 121.20 123.35 1wkt s ILE 81 Ca 0.40 -0.40 0.00 0.00 -0.00 0.00 0.00 60.65 60.66 1wkt s ILE 81 Cb -0.22 -3.27 0.00 0.00 -0.00 0.00 0.00 42.46 38.97 1wkt s ILE 81 CO 0.25 0.31 0.00 0.54 -0.00 0.00 0.00 174.94 176.04 1wkt n ARG 82 N 1.00 0.00 -2.03 0.37 1.74 0.31 -4.72 116.66 113.33 1wkt n ARG 82 Ca -0.12 0.00 -0.28 0.00 -0.77 0.00 0.00 57.85 56.68 1wkt n ARG 82 Cb 0.52 0.00 0.07 0.00 -1.02 0.00 0.00 32.46 32.03 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 1.00 4.89 0.21 0.55 0.01 -0.69 -3.63 113.70 116.04 1wkt s SER 83 Ca 0.00 0.76 -0.20 0.00 1.31 0.00 0.00 55.95 57.82 1wkt s SER 83 Cb 0.00 -1.41 0.04 0.00 0.21 0.00 0.00 66.02 64.86 1wkt s SER 83 CO 0.00 -1.62 0.60 -0.72 0.41 0.00 0.00 173.24 171.91 1wkt s TYR 84 N -3.38 -0.23 -0.21 2.43 1.13 -0.98 -0.31 117.35 115.79 1wkt s TYR 84 Ca 0.60 -0.11 -0.09 0.00 -1.41 0.00 0.00 57.07 56.06 1wkt s TYR 84 Cb -0.11 0.52 0.09 0.00 -1.10 0.00 0.00 41.96 41.36 1wkt s TYR 84 CO 0.48 -1.00 0.47 0.50 -2.51 0.00 0.00 175.55 173.50 1wkt s ARG 85 N -3.86 0.41 0.21 -3.49 3.00 -0.19 -3.60 118.95 111.43 1wkt s ARG 85 Ca 0.08 1.04 -0.32 0.00 -1.00 0.00 0.00 55.73 55.53 1wkt s ARG 85 Cb -0.02 0.29 -0.12 0.00 0.00 0.00 0.00 34.95 35.10 1wkt s ARG 85 CO -0.02 -0.21 1.73 -2.13 0.00 0.00 0.00 175.30 174.67 1wkt n ARG 86 N 4.99 2.79 -0.11 5.12 3.00 0.07 -1.18 116.66 131.34 1wkt n ARG 86 Ca -0.14 1.01 -0.15 0.00 -0.00 0.00 0.00 57.85 58.57 1wkt n ARG 86 Cb 0.52 -2.85 -0.13 0.00 0.00 0.00 0.00 32.46 30.00 1wkt n ARG 86 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 177.63 179.18 1wkt n VAL 87 N 3.99 1.38 -1.40 5.15 3.14 0.56 -3.74 118.33 127.42 1wkt n VAL 87 Ca 0.16 -0.62 0.00 0.00 -2.96 0.00 0.00 64.34 60.92 1wkt n VAL 87 Cb 0.35 -1.10 0.00 0.00 -1.06 0.00 0.00 33.84 32.03 1wkt n VAL 87 CO 0.00 0.00 0.00 1.21 -6.46 0.00 0.00 176.83 171.58