#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wh3 s SER 2 N 0.00 3.71 -0.36 1.61 0.01 -1.26 -5.08 113.70 112.33 1wh3 s SER 2 Ca 0.00 -1.63 -0.28 0.00 1.31 0.00 0.00 55.95 55.34 1wh3 s SER 2 Cb 0.00 0.43 -0.01 0.00 0.21 0.00 0.00 66.02 66.65 1wh3 s SER 2 CO 0.00 -0.84 1.68 -0.55 0.41 0.00 0.00 173.24 173.94 1wh3 s SER 3 N -3.78 6.01 0.00 2.44 0.15 -1.26 -4.73 113.70 112.53 1wh3 s SER 3 Ca 0.13 1.13 0.00 0.00 0.70 0.00 0.00 55.95 57.91 1wh3 s SER 3 Cb 0.03 -2.53 0.00 0.00 -1.71 0.00 0.00 66.02 61.81 1wh3 s SER 3 CO 0.07 -1.65 0.00 0.61 1.20 0.00 0.00 173.24 173.48 1wh3 n GLY 4 N 5.33 -1.11 3.79 9.45 0.00 -1.26 -5.15 105.19 116.23 1wh3 n GLY 4 Ca 0.21 0.65 -0.39 0.00 0.00 0.00 0.00 46.02 46.49 1wh3 n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1wh3 s SER 5 N 0.00 7.22 0.04 1.61 0.01 -1.26 -5.06 113.70 116.25 1wh3 s SER 5 Ca 0.00 1.44 -0.27 0.00 1.31 0.00 0.00 55.95 58.43 1wh3 s SER 5 Cb 0.00 -2.43 0.09 0.00 0.21 0.00 0.00 66.02 63.89 1wh3 s SER 5 CO 0.00 0.21 0.78 -0.55 0.41 0.00 0.00 173.24 174.09 1wh3 s SER 6 N -0.97 -0.46 0.00 2.44 0.15 -1.26 -5.17 113.70 108.43 1wh3 s SER 6 Ca 0.33 0.08 0.00 0.00 0.70 0.00 0.00 55.95 57.06 1wh3 s SER 6 Cb -0.21 0.46 0.00 0.00 -1.71 0.00 0.00 66.02 64.56 1wh3 s SER 6 CO 0.22 -0.72 0.00 0.61 1.20 0.00 0.00 173.24 174.56 1wh3 n GLY 7 N -0.13 0.98 3.79 9.45 0.00 -1.26 -4.75 105.19 113.26 1wh3 n GLY 7 Ca -0.12 -2.18 -0.25 0.00 0.00 0.00 0.00 46.02 43.46 1wh3 n GLY 7 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1wh3 s ILE 8 N -1.26 4.40 -0.30 -0.61 -4.36 -1.02 -4.89 121.20 113.16 1wh3 s ILE 8 Ca 0.00 -1.19 -0.08 0.00 -0.26 0.00 0.00 60.65 59.12 1wh3 s ILE 8 Cb 0.00 -3.27 -0.00 0.00 1.25 0.00 0.00 42.46 40.44 1wh3 s ILE 8 CO 0.00 -0.16 0.11 -1.58 0.24 0.00 0.00 174.94 173.54 1wh3 s GLN 9 N -3.25 3.25 -0.03 0.37 0.74 -1.26 -2.09 119.66 117.39 1wh3 s GLN 9 Ca 0.31 -0.76 0.07 0.00 0.05 0.00 0.00 55.36 55.03 1wh3 s GLN 9 Cb -0.09 -3.44 -0.02 0.00 1.10 0.00 0.00 33.01 30.55 1wh3 s GLN 9 CO 0.23 -0.40 -0.23 0.14 -0.55 0.00 0.00 175.29 174.48 1wh3 s VAL 10 N 1.56 2.33 -0.17 1.34 -7.23 -0.99 -0.32 120.40 116.93 1wh3 s VAL 10 Ca 0.04 -1.00 -0.17 0.00 -1.81 0.00 0.00 61.98 59.04 1wh3 s VAL 10 Cb -0.17 -1.84 -0.04 0.00 0.56 0.00 0.00 36.38 34.89 1wh3 s VAL 10 CO 0.04 0.58 0.42 -0.36 -0.31 0.00 0.00 175.10 175.47 1wh3 s PHE 11 N -0.59 3.44 -0.36 2.82 0.08 -0.37 -0.77 117.98 122.22 1wh3 s PHE 11 Ca 0.09 0.72 -0.07 0.00 0.12 0.00 0.00 56.93 57.79 1wh3 s PHE 11 Cb -0.11 -2.52 0.05 0.00 -0.57 0.00 0.00 43.02 39.87 1wh3 s PHE 11 CO -0.00 0.08 0.14 0.08 -0.10 0.00 0.00 175.22 175.42 1wh3 s VAL 12 N 0.97 3.89 -0.30 -0.44 1.01 0.21 -0.72 120.40 125.02 1wh3 s VAL 12 Ca 0.22 -1.19 -0.24 0.00 0.00 0.00 0.00 61.98 60.76 1wh3 s VAL 12 Cb -0.15 -3.25 0.00 0.00 0.00 0.00 0.00 36.38 32.99 1wh3 s VAL 12 CO 0.08 -0.25 0.84 -0.75 0.00 0.00 0.00 175.10 175.02 1wh3 s LYS 13 N 1.41 4.01 0.45 2.72 2.20 0.63 -2.15 119.74 129.02 1wh3 s LYS 13 Ca -0.00 0.71 -0.14 0.00 -0.36 0.00 0.00 55.97 56.18 1wh3 s LYS 13 Cb -0.20 -3.72 -0.07 0.00 -1.51 0.00 0.00 37.83 32.33 1wh3 s LYS 13 CO 0.03 -0.69 0.88 0.54 -0.36 0.00 0.00 175.35 175.74 1wh3 s ASN 14 N 1.58 6.60 0.00 1.43 2.20 -0.49 -0.82 114.94 125.44 1wh3 s ASN 14 Ca 0.35 1.37 0.15 0.00 -0.94 0.00 0.00 52.86 53.78 1wh3 s ASN 14 Cb -0.14 -2.42 0.70 0.00 -2.00 0.00 0.00 41.25 37.38 1wh3 s ASN 14 CO 0.12 -0.47 1.43 -0.81 -2.94 0.00 0.00 177.10 174.43 1wh3 n PRO 15 N -1.35 0.13 -0.03 3.55 -0.04 -1.21 -3.00 135.00 133.05 1wh3 n PRO 15 Ca 0.05 0.19 -0.16 0.00 -0.04 0.00 0.00 63.50 63.54 1wh3 n PRO 15 Cb 0.54 -1.50 -0.13 0.00 -0.04 0.00 0.00 33.50 32.37 1wh3 n PRO 15 CO 0.00 0.00 0.00 -0.44 -0.04 0.00 0.00 175.50 175.02 1wh3 h ASP 16 N 0.00 0.16 0.00 3.54 3.32 -1.92 -3.49 116.42 118.03 1wh3 h ASP 16 Ca 0.00 -0.95 0.00 0.00 0.02 0.00 0.00 57.03 56.10 1wh3 h ASP 16 Cb 0.18 -0.05 0.00 0.00 0.22 0.00 0.00 39.33 39.68 1wh3 h ASP 16 CO 0.00 1.10 0.00 0.61 -1.72 0.00 0.00 179.24 179.23 1wh3 n GLY 17 N 1.54 0.72 0.00 2.75 0.00 -1.16 -5.18 105.19 103.86 1wh3 n GLY 17 Ca -0.11 0.16 0.00 0.00 0.00 0.00 0.00 46.02 46.07 1wh3 n GLY 17 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1wh3 n GLY 18 N 0.00 1.67 3.13 -0.02 0.00 -1.26 -4.98 105.19 103.73 1wh3 n GLY 18 Ca 0.00 -1.87 -0.13 0.00 0.00 0.00 0.00 46.02 44.02 1wh3 n GLY 18 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1wh3 s SER 19 N 0.00 -0.23 0.23 1.61 0.15 -1.26 -1.39 113.70 112.81 1wh3 s SER 19 Ca 0.00 0.41 0.11 0.00 0.70 0.00 0.00 55.95 57.17 1wh3 s SER 19 Cb 0.00 0.46 -0.05 0.00 -1.71 0.00 0.00 66.02 64.72 1wh3 s SER 19 CO 0.00 -0.12 -0.19 -0.31 1.20 0.00 0.00 173.24 173.82 1wh3 s TYR 20 N -0.06 2.37 -0.25 3.44 2.02 -0.91 -4.89 117.35 119.06 1wh3 s TYR 20 Ca -0.02 -0.32 -0.15 0.00 -0.37 0.00 0.00 57.07 56.22 1wh3 s TYR 20 Cb -0.02 -1.10 -0.04 0.00 -0.40 0.00 0.00 41.96 40.39 1wh3 s TYR 20 CO 0.01 0.60 0.35 0.00 -1.57 0.00 0.00 175.55 174.93 1wh3 s ALA 21 N -2.05 3.57 0.34 3.71 0.00 -1.26 -0.62 121.76 125.45 1wh3 s ALA 21 Ca 0.26 -0.77 0.08 0.00 0.00 0.00 0.00 51.96 51.53 1wh3 s ALA 21 Cb -0.07 -2.65 -0.04 0.00 0.00 0.00 0.00 23.12 20.37 1wh3 s ALA 21 CO 0.13 -0.52 0.18 0.71 0.00 0.00 0.00 175.76 176.26 1wh3 s TYR 22 N 1.78 2.76 -0.15 0.00 1.51 0.05 -4.96 117.35 118.34 1wh3 s TYR 22 Ca 0.15 -0.36 0.00 0.00 -1.01 0.00 0.00 57.07 55.85 1wh3 s TYR 22 Cb -0.15 -1.68 0.02 0.00 -0.11 0.00 0.00 41.96 40.04 1wh3 s TYR 22 CO 0.09 0.30 -0.15 0.00 -1.11 0.00 0.00 175.55 174.68 1wh3 s ALA 23 N -2.39 1.91 -0.26 3.71 0.00 -1.26 -2.36 121.76 121.11 1wh3 s ALA 23 Ca 0.38 -0.94 -0.12 0.00 0.00 0.00 0.00 51.96 51.29 1wh3 s ALA 23 Cb -0.03 -1.06 0.09 0.00 0.00 0.00 0.00 23.12 22.12 1wh3 s ALA 23 CO 0.24 -0.37 0.60 -1.50 0.00 0.00 0.00 175.76 174.74 1wh3 s ILE 24 N 1.44 -0.41 0.65 0.00 2.07 -0.89 -4.98 121.20 119.08 1wh3 s ILE 24 Ca 0.05 0.03 -0.17 0.00 -1.41 0.00 0.00 60.65 59.15 1wh3 s ILE 24 Cb -0.13 -0.91 -0.03 0.00 0.13 0.00 0.00 42.46 41.53 1wh3 s ILE 24 CO -0.11 0.01 0.96 0.59 -1.91 0.00 0.00 174.94 174.48 1wh3 n ASN 25 N 4.82 0.63 0.24 4.50 3.02 -1.26 -2.43 115.26 124.77 1wh3 n ASN 25 Ca -0.16 0.75 0.16 0.00 -0.03 0.00 0.00 54.58 55.29 1wh3 n ASN 25 Cb 0.54 -1.39 0.65 0.00 -0.61 0.00 0.00 39.78 38.96 1wh3 n ASN 25 CO 0.00 0.00 0.00 1.55 -2.62 0.00 0.00 177.26 176.19 1wh3 h PRO 26 N 0.20 0.00 0.00 3.52 0.13 -1.93 -2.66 132.00 131.27 1wh3 h PRO 26 Ca -0.48 0.00 -0.07 0.00 -0.87 0.00 0.00 66.00 64.58 1wh3 h PRO 26 Cb 1.36 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.47 1wh3 h PRO 26 CO 0.49 0.00 -1.07 -0.91 -0.23 0.00 0.00 178.00 176.28 1wh3 h ASN 27 N 0.00 0.00 -3.97 1.44 4.21 -1.99 -3.23 115.58 112.04 1wh3 h ASN 27 Ca 0.00 0.00 -0.53 0.00 1.21 0.00 0.00 56.30 56.98 1wh3 h ASN 27 Cb 0.45 0.00 0.09 0.00 -1.12 0.00 0.00 38.32 37.74 1wh3 h ASN 27 CO 0.00 0.23 0.59 -0.55 -1.29 0.00 0.00 177.43 176.41 1wh3 s SER 28 N -5.62 6.13 0.60 5.81 0.15 -1.00 -4.74 113.70 115.03 1wh3 s SER 28 Ca -0.01 2.61 -0.19 0.00 0.70 0.00 0.00 55.95 59.06 1wh3 s SER 28 Cb 0.09 -2.63 -0.03 0.00 -1.71 0.00 0.00 66.02 61.74 1wh3 s SER 28 CO 0.79 -0.97 1.26 -0.36 1.20 0.00 0.00 173.24 175.16 1wh3 s PHE 29 N -1.32 2.28 0.57 3.44 0.08 -1.26 -3.53 117.98 118.23 1wh3 s PHE 29 Ca 0.60 1.48 0.28 0.00 0.12 0.00 0.00 56.93 59.41 1wh3 s PHE 29 Cb -0.37 -3.61 1.50 0.00 -0.57 0.00 0.00 43.02 39.96 1wh3 s PHE 29 CO 0.46 -2.57 1.98 0.82 -0.10 0.00 0.00 175.22 175.81 1wh3 h ILE 30 N 0.91 0.53 -0.61 0.64 1.08 -1.38 0.46 117.51 119.14 1wh3 h ILE 30 Ca -0.51 0.00 -0.07 0.00 -0.39 0.00 0.00 64.86 63.90 1wh3 h ILE 30 Cb 1.31 0.71 -0.03 0.00 -3.07 0.00 0.00 36.82 35.75 1wh3 h ILE 30 CO 0.55 0.00 0.11 0.25 -0.69 0.00 0.00 178.15 178.37 1wh3 h LEU 31 N 0.00 0.92 -0.78 1.44 5.85 -1.74 -2.12 115.31 118.89 1wh3 h LEU 31 Ca 0.20 -0.20 0.00 0.00 0.84 0.00 0.00 57.88 58.73 1wh3 h LEU 31 Cb 0.96 -0.24 0.00 0.00 0.37 0.00 0.00 40.66 41.75 1wh3 h LEU 31 CO -0.00 0.91 0.02 0.61 -0.34 0.00 0.00 178.44 179.64 1wh3 n GLY 32 N -0.71 -0.69 0.12 3.75 0.00 0.15 -1.38 105.19 106.45 1wh3 n GLY 32 Ca 0.04 0.11 -0.18 0.00 0.00 0.00 0.00 46.02 45.99 1wh3 n GLY 32 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1wh3 n LEU 33 N -1.91 2.17 -0.05 0.99 7.94 -0.80 -4.09 117.00 121.25 1wh3 n LEU 33 Ca -0.01 0.27 -0.12 0.00 -1.11 0.00 0.00 56.01 55.04 1wh3 n LEU 33 Cb 0.04 -0.78 -0.07 0.00 0.53 0.00 0.00 43.42 43.14 1wh3 n LEU 33 CO 0.05 0.73 0.68 0.11 -1.11 0.00 0.00 177.39 177.85 1wh3 h LYS 34 N 0.05 0.28 -0.83 1.96 6.56 -1.22 -3.14 116.57 120.23 1wh3 h LYS 34 Ca -0.38 -0.12 0.21 0.00 -1.06 0.00 0.00 60.65 59.30 1wh3 h LYS 34 Cb 2.03 -0.01 -0.13 0.00 -0.57 0.00 0.00 32.23 33.55 1wh3 h LYS 34 CO 0.09 0.59 0.16 0.37 -2.06 0.00 0.00 179.45 178.60 1wh3 h GLN 35 N -0.05 0.18 -0.91 3.15 5.75 -1.63 0.49 115.11 122.08 1wh3 h GLN 35 Ca 0.03 -0.01 0.04 0.00 -0.15 0.00 0.00 58.65 58.56 1wh3 h GLN 35 Cb 0.51 -0.04 -0.05 0.00 1.07 0.00 0.00 27.48 28.96 1wh3 h GLN 35 CO 0.02 0.12 0.60 1.96 -2.65 0.00 0.00 178.83 178.88 1wh3 h GLN 36 N 0.19 1.09 -0.22 1.69 4.20 -1.69 -2.06 115.11 118.31 1wh3 h GLN 36 Ca 0.49 -0.07 -0.20 0.00 0.06 0.00 0.00 58.65 58.94 1wh3 h GLN 36 Cb 0.94 -0.25 0.00 0.00 0.30 0.00 0.00 27.48 28.48 1wh3 h GLN 36 CO -0.64 0.72 -0.65 0.82 -0.67 0.00 0.00 178.83 178.41 1wh3 h ILE 37 N 1.13 1.28 0.00 2.54 2.04 -0.15 -2.12 117.51 122.23 1wh3 h ILE 37 Ca 0.37 -1.85 -0.01 0.00 1.00 0.00 0.00 64.86 64.38 1wh3 h ILE 37 Cb 0.05 1.79 -0.00 0.00 -0.74 0.00 0.00 36.82 37.93 1wh3 h ILE 37 CO -0.12 0.59 -0.03 -0.08 0.00 0.00 0.00 178.15 178.51 1wh3 h GLU 38 N 0.60 0.00 0.00 2.37 4.81 -0.23 0.24 114.58 122.36 1wh3 h GLU 38 Ca -0.02 0.00 -0.19 0.00 -0.13 0.00 0.00 59.36 59.02 1wh3 h GLU 38 Cb 1.26 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 30.61 1wh3 h GLU 38 CO 0.14 0.03 -1.62 -0.25 -0.73 0.00 0.00 179.01 176.58 1wh3 n ASP 39 N -3.45 0.68 -0.06 1.04 9.92 -0.83 -2.22 116.55 121.62 1wh3 n ASP 39 Ca -0.02 0.30 -0.05 0.00 -0.53 0.00 0.00 54.79 54.49 1wh3 n ASP 39 Cb 0.14 0.41 -0.03 0.00 -0.64 0.00 0.00 41.12 41.00 1wh3 n ASP 39 CO 0.00 0.00 0.00 1.56 0.13 0.00 0.00 177.20 178.89 1wh3 h GLN 40 N 0.00 0.00 0.00 -1.24 1.08 -0.60 -3.39 115.11 110.97 1wh3 h GLN 40 Ca -0.21 0.00 -0.17 0.00 -1.45 0.00 0.00 58.65 56.82 1wh3 h GLN 40 Cb 1.66 0.00 -0.03 0.00 -0.05 0.00 0.00 27.48 29.06 1wh3 h GLN 40 CO 0.04 0.18 -0.87 1.96 -0.95 0.00 0.00 178.83 179.20 1wh3 h GLN 41 N -1.00 0.00 0.00 1.46 4.20 -0.80 -3.48 115.11 115.49 1wh3 h GLN 41 Ca -0.03 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.68 1wh3 h GLN 41 Cb 0.38 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.16 1wh3 h GLN 41 CO -0.02 0.73 0.00 0.41 -0.67 0.00 0.00 178.83 179.28 1wh3 n GLY 42 N 1.32 0.72 3.82 3.46 0.00 -0.94 -5.04 105.19 108.52 1wh3 n GLY 42 Ca -0.01 -0.10 -0.38 0.00 0.00 0.00 0.00 46.02 45.53 1wh3 n GLY 42 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1wh3 s LEU 43 N 0.00 4.50 0.66 0.99 0.20 -1.23 -4.95 118.68 118.85 1wh3 s LEU 43 Ca 0.00 1.13 -0.15 0.00 0.69 0.00 0.00 54.13 55.80 1wh3 s LEU 43 Cb 0.00 -2.77 -0.00 0.00 -0.43 0.00 0.00 46.19 42.99 1wh3 s LEU 43 CO 0.00 0.29 1.11 -2.16 -0.29 0.00 0.00 176.35 175.30 1wh3 s PRO 44 N -1.04 2.80 0.20 0.98 0.04 -1.26 -3.93 135.00 132.79 1wh3 s PRO 44 Ca 0.27 1.39 0.26 0.00 0.04 0.00 0.00 61.00 62.95 1wh3 s PRO 44 Cb -0.18 -1.95 0.88 0.00 0.04 0.00 0.00 34.50 33.29 1wh3 s PRO 44 CO 0.17 -1.25 1.77 1.63 0.04 0.00 0.00 177.00 179.35 1wh3 n LYS 45 N -2.42 0.22 -0.07 4.56 5.02 -1.26 -2.58 118.16 121.63 1wh3 n LYS 45 Ca 0.10 0.24 0.04 0.00 -2.02 0.00 0.00 58.31 56.67 1wh3 n LYS 45 Cb 0.52 -1.78 0.16 0.00 -0.02 0.00 0.00 35.03 33.90 1wh3 n LYS 45 CO 0.00 0.00 0.00 0.36 -0.52 0.00 0.00 177.40 177.24 1wh3 n LYS 46 N -2.17 1.36 0.00 1.97 2.85 -1.26 -3.91 118.16 117.01 1wh3 n LYS 46 Ca 0.05 -0.56 0.00 0.00 -1.05 0.00 0.00 58.31 56.75 1wh3 n LYS 46 Cb 0.37 -1.17 0.00 0.00 -0.65 0.00 0.00 35.03 33.58 1wh3 n LYS 46 CO 0.00 0.00 0.00 1.04 -0.05 0.00 0.00 177.40 178.39 1wh3 n GLN 47 N -0.08 0.28 -2.59 -1.58 1.13 -1.13 -4.86 117.38 108.54 1wh3 n GLN 47 Ca 0.07 0.00 -0.38 0.00 -1.94 0.00 0.00 57.00 54.75 1wh3 n GLN 47 Cb 0.15 -0.72 -0.05 0.00 0.11 0.00 0.00 30.24 29.73 1wh3 n GLN 47 CO 0.00 0.00 0.00 1.14 -1.44 0.00 0.00 177.06 176.76 1wh3 s GLN 48 N -1.44 4.49 -0.12 -1.09 -2.07 -1.06 0.32 119.66 118.68 1wh3 s GLN 48 Ca 0.00 1.57 -0.04 0.00 -1.82 0.00 0.00 55.36 55.07 1wh3 s GLN 48 Cb 0.00 -2.89 0.06 0.00 -1.09 0.00 0.00 33.01 29.08 1wh3 s GLN 48 CO 0.00 0.14 0.14 -1.14 -1.32 0.00 0.00 175.29 173.11 1wh3 s GLN 49 N -1.90 0.05 -0.01 9.60 0.74 -0.89 -4.89 119.66 122.36 1wh3 s GLN 49 Ca 0.50 0.31 -0.21 0.00 0.05 0.00 0.00 55.36 56.01 1wh3 s GLN 49 Cb -0.25 -0.87 -0.05 0.00 1.10 0.00 0.00 33.01 32.94 1wh3 s GLN 49 CO 0.32 -0.47 0.60 -0.51 -0.55 0.00 0.00 175.29 174.68 1wh3 s LEU 50 N 2.25 4.40 0.07 3.68 1.43 -1.26 -3.09 118.68 126.16 1wh3 s LEU 50 Ca 0.04 1.15 0.07 0.00 -1.03 0.00 0.00 54.13 54.36 1wh3 s LEU 50 Cb -0.14 -2.93 -0.03 0.00 0.03 0.00 0.00 46.19 43.12 1wh3 s LEU 50 CO -0.07 0.08 -0.19 -1.61 0.23 0.00 0.00 176.35 174.79 1wh3 s GLU 51 N -0.06 1.11 -0.08 1.70 2.02 -1.15 -2.28 118.70 119.97 1wh3 s GLU 51 Ca 0.32 -1.00 -0.03 0.00 0.02 0.00 0.00 54.97 54.28 1wh3 s GLU 51 Cb -0.18 -1.25 0.04 0.00 0.10 0.00 0.00 34.13 32.84 1wh3 s GLU 51 CO 0.17 0.30 0.08 0.12 0.02 0.00 0.00 175.26 175.95 1wh3 s PHE 52 N -1.02 0.08 -1.53 1.61 5.36 -1.08 -3.37 117.98 118.01 1wh3 s PHE 52 Ca 0.04 0.12 -0.05 0.00 -0.96 0.00 0.00 56.93 56.08 1wh3 s PHE 52 Cb -0.09 -0.53 0.01 0.00 -0.34 0.00 0.00 43.02 42.07 1wh3 s PHE 52 CO 0.03 -0.29 0.70 1.04 -1.46 0.00 0.00 175.22 175.23 1wh3 n GLN 53 N 5.30 -5.35 -2.68 10.12 6.02 -1.26 -2.57 117.38 126.95 1wh3 n GLN 53 Ca -0.04 0.90 -0.07 0.00 -0.01 0.00 0.00 57.00 57.77 1wh3 n GLN 53 Cb 0.50 -5.79 0.03 0.00 1.02 0.00 0.00 30.24 26.00 1wh3 n GLN 53 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1wh3 n GLY 54 N -1.60 0.22 3.12 1.08 0.00 -1.26 -5.06 105.19 101.69 1wh3 n GLY 54 Ca -0.09 -0.28 -0.08 0.00 0.00 0.00 0.00 46.02 45.56 1wh3 n GLY 54 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1wh3 s GLN 55 N -4.87 0.76 -0.39 1.61 -0.21 -1.06 -5.13 119.66 110.36 1wh3 s GLN 55 Ca 0.08 -1.31 -0.11 0.00 0.02 0.00 0.00 55.36 54.04 1wh3 s GLN 55 Cb -0.04 0.23 0.04 0.00 1.00 0.00 0.00 33.01 34.24 1wh3 s GLN 55 CO 0.28 -0.18 0.23 0.08 -2.12 0.00 0.00 175.29 173.58 1wh3 s VAL 56 N -3.97 4.58 -0.07 1.09 1.01 -1.26 -2.64 120.40 119.13 1wh3 s VAL 56 Ca 0.14 -0.97 -0.30 0.00 0.00 0.00 0.00 61.98 60.86 1wh3 s VAL 56 Cb 0.08 -3.61 -0.03 0.00 0.00 0.00 0.00 36.38 32.81 1wh3 s VAL 56 CO -0.05 -0.31 1.30 -0.76 0.00 0.00 0.00 175.10 175.28 1wh3 s LEU 57 N 1.54 4.26 0.00 3.92 1.43 -0.96 -5.02 118.68 123.84 1wh3 s LEU 57 Ca 0.02 1.88 -0.08 0.00 -1.03 0.00 0.00 54.13 54.92 1wh3 s LEU 57 Cb -0.20 -3.55 0.11 0.00 0.03 0.00 0.00 46.19 42.58 1wh3 s LEU 57 CO 0.06 -0.69 0.68 0.00 0.23 0.00 0.00 176.35 176.63 1wh3 n GLN 58 N 5.78 -0.65 -0.12 1.70 1.13 -1.26 -4.74 117.38 119.22 1wh3 n GLN 58 Ca 0.13 -1.05 -0.21 0.00 -1.94 0.00 0.00 57.00 53.92 1wh3 n GLN 58 Cb 0.45 -0.69 -0.10 0.00 0.11 0.00 0.00 30.24 30.00 1wh3 n GLN 58 CO 0.00 0.00 0.00 -0.40 -1.44 0.00 0.00 177.06 175.22 1wh3 n ASP 59 N -3.43 2.00 0.00 1.08 5.75 -1.26 -4.37 116.55 116.32 1wh3 n ASP 59 Ca 0.08 0.06 0.14 0.00 -0.01 0.00 0.00 54.79 55.07 1wh3 n ASP 59 Cb 0.29 -0.53 0.84 0.00 -1.03 0.00 0.00 41.12 40.69 1wh3 n ASP 59 CO 0.00 0.00 0.00 -2.67 -0.11 0.00 0.00 177.20 174.42 1wh3 n TRP 60 N -3.60 0.00 -3.51 2.11 2.14 -1.26 -2.99 117.44 110.33 1wh3 n TRP 60 Ca -0.45 0.00 -0.38 0.00 2.07 0.00 0.00 57.50 58.74 1wh3 n TRP 60 Cb 0.90 -0.02 -0.10 0.00 -0.81 0.00 0.00 31.31 31.29 1wh3 n TRP 60 CO 0.00 0.00 0.00 -0.51 2.07 0.00 0.00 177.69 179.25 1wh3 s LEU 61 N -2.03 4.05 0.00 5.67 1.43 -1.26 -4.92 118.68 121.61 1wh3 s LEU 61 Ca 0.42 0.15 -0.09 0.00 -1.03 0.00 0.00 54.13 53.58 1wh3 s LEU 61 Cb 0.20 -2.26 0.14 0.00 0.03 0.00 0.00 46.19 44.29 1wh3 s LEU 61 CO 0.33 -0.09 0.31 0.61 0.23 0.00 0.00 176.35 177.74 1wh3 n GLY 62 N 4.75 -3.40 0.14 -3.19 0.00 -1.26 -1.89 105.19 100.33 1wh3 n GLY 62 Ca -0.12 -1.11 -0.22 0.00 0.00 0.00 0.00 46.02 44.57 1wh3 n GLY 62 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1wh3 h LEU 63 N 0.00 0.61 -1.90 0.99 4.07 -1.60 -3.33 115.31 114.15 1wh3 h LEU 63 Ca -0.14 -0.85 -0.02 0.00 0.08 0.00 0.00 57.88 56.95 1wh3 h LEU 63 Cb 0.47 -0.20 -0.00 0.00 1.08 0.00 0.00 40.66 42.01 1wh3 h LEU 63 CO 0.08 1.71 -0.09 1.23 -1.08 0.00 0.00 178.44 180.29 1wh3 h GLY 64 N 0.79 0.00 0.33 0.83 0.00 -1.82 -2.46 103.07 100.74 1wh3 h GLY 64 Ca -0.31 0.00 0.15 0.00 0.00 0.00 0.00 47.33 47.16 1wh3 h GLY 64 CO 0.19 0.00 0.60 -2.22 0.00 0.00 0.00 176.54 175.11 1wh3 h ILE 65 N 0.00 0.83 -0.61 2.60 1.08 -1.92 0.20 117.51 119.70 1wh3 h ILE 65 Ca -0.00 -0.30 -0.17 0.00 -0.39 0.00 0.00 64.86 64.00 1wh3 h ILE 65 Cb 0.18 -0.13 -0.10 0.00 -3.07 0.00 0.00 36.82 33.71 1wh3 h ILE 65 CO 0.01 0.16 0.21 -1.22 -0.69 0.00 0.00 178.15 176.62 1wh3 n TYR 66 N -4.70 2.03 -2.17 1.37 4.01 -0.96 -4.89 117.16 111.86 1wh3 n TYR 66 Ca 0.20 -0.99 -0.09 0.00 -0.16 0.00 0.00 57.90 56.86 1wh3 n TYR 66 Cb 0.43 -0.59 -0.01 0.00 -0.31 0.00 0.00 39.34 38.86 1wh3 n TYR 66 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1wh3 n GLY 67 N -0.02 -0.16 3.71 2.72 0.00 0.72 -4.86 105.19 107.29 1wh3 n GLY 67 Ca 0.33 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.93 1wh3 n GLY 67 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1wh3 s ILE 68 N -2.31 3.28 0.50 -0.61 1.01 -1.02 -5.01 121.20 117.04 1wh3 s ILE 68 Ca 0.00 0.86 0.03 0.00 0.00 0.00 0.00 60.65 61.54 1wh3 s ILE 68 Cb 0.00 -3.55 -0.01 0.00 0.01 0.00 0.00 42.46 38.91 1wh3 s ILE 68 CO 0.00 0.04 0.11 0.00 0.00 0.00 0.00 174.94 175.09 1wh3 s GLN 69 N 1.58 2.19 0.77 2.79 -2.07 -1.26 -4.63 119.66 119.03 1wh3 s GLN 69 Ca 0.66 -2.24 -0.11 0.00 -1.82 0.00 0.00 55.36 51.86 1wh3 s GLN 69 Cb -0.37 -1.71 0.06 0.00 -1.09 0.00 0.00 33.01 29.90 1wh3 s GLN 69 CO 0.30 -0.37 1.09 0.16 -1.32 0.00 0.00 175.29 175.15 1wh3 s ASP 70 N -3.96 4.51 -1.46 12.60 -4.77 -1.26 -3.56 116.67 118.76 1wh3 s ASP 70 Ca 0.18 1.80 -0.08 0.00 -3.30 0.00 0.00 52.55 51.14 1wh3 s ASP 70 Cb 0.02 -2.50 0.03 0.00 -1.09 0.00 0.00 42.92 39.38 1wh3 s ASP 70 CO 0.10 -2.03 0.77 -1.20 0.70 0.00 0.00 175.17 173.51 1wh3 n SER 71 N -3.52 -5.51 -4.99 2.11 7.64 0.57 -4.98 113.62 104.94 1wh3 n SER 71 Ca 0.09 -0.44 -0.19 0.00 1.01 0.00 0.00 58.87 59.33 1wh3 n SER 71 Cb 0.53 -4.43 0.01 0.00 -1.01 0.00 0.00 64.21 59.31 1wh3 n SER 71 CO 0.00 0.00 0.00 1.51 -3.01 0.00 0.00 175.04 173.54 1wh3 s ASP 72 N -2.94 5.80 -0.10 6.43 -4.77 -1.23 -4.94 116.67 114.92 1wh3 s ASP 72 Ca 0.45 -0.16 0.03 0.00 -3.30 0.00 0.00 52.55 49.57 1wh3 s ASP 72 Cb -0.21 -1.09 -0.01 0.00 -1.09 0.00 0.00 42.92 40.52 1wh3 s ASP 72 CO 0.55 -0.63 -0.21 -0.89 0.70 0.00 0.00 175.17 174.69 1wh3 s THR 73 N -2.33 2.36 -0.08 2.11 2.01 -1.26 -1.24 115.64 117.20 1wh3 s THR 73 Ca 0.49 -0.92 0.03 0.00 0.31 0.00 0.00 61.69 61.61 1wh3 s THR 73 Cb -0.10 -1.93 0.01 0.00 0.01 0.00 0.00 72.50 70.49 1wh3 s THR 73 CO 0.33 0.55 -0.18 -0.76 -0.69 0.00 0.00 174.62 173.87 1wh3 s LEU 74 N 0.27 1.88 0.16 4.42 1.43 0.10 -4.92 118.68 122.02 1wh3 s LEU 74 Ca -0.15 -0.43 -0.18 0.00 -1.03 0.00 0.00 54.13 52.33 1wh3 s LEU 74 Cb -0.17 -1.13 -0.07 0.00 0.03 0.00 0.00 46.19 44.85 1wh3 s LEU 74 CO 0.07 0.10 0.64 -0.63 0.23 0.00 0.00 176.35 176.77 1wh3 s ILE 75 N 0.47 4.68 -0.12 -0.59 -1.09 -1.22 -0.26 121.20 123.06 1wh3 s ILE 75 Ca -0.16 1.17 0.02 0.00 -2.23 0.00 0.00 60.65 59.45 1wh3 s ILE 75 Cb -0.17 -3.85 -0.00 0.00 -1.58 0.00 0.00 42.46 36.86 1wh3 s ILE 75 CO 0.06 0.32 -0.20 -0.22 -1.23 0.00 0.00 174.94 173.67 1wh3 s LEU 76 N -1.70 2.26 -0.07 2.97 2.96 -0.00 -2.91 118.68 122.19 1wh3 s LEU 76 Ca 0.38 -0.52 -0.03 0.00 -0.22 0.00 0.00 54.13 53.73 1wh3 s LEU 76 Cb -0.17 -1.48 0.03 0.00 0.50 0.00 0.00 46.19 45.07 1wh3 s LEU 76 CO 0.20 0.13 0.15 -0.44 -1.32 0.00 0.00 176.35 175.07 1wh3 s SER 77 N 0.54 -0.13 0.35 3.68 0.01 -1.18 -3.35 113.70 113.62 1wh3 s SER 77 Ca -0.12 0.31 -0.26 0.00 1.31 0.00 0.00 55.95 57.19 1wh3 s SER 77 Cb -0.17 0.23 -0.09 0.00 0.21 0.00 0.00 66.02 66.20 1wh3 s SER 77 CO 0.04 -0.13 1.02 -1.59 0.41 0.00 0.00 173.24 173.00 1wh3 s LYS 78 N 0.92 4.42 0.28 12.44 -2.85 -1.26 -2.09 119.74 131.60 1wh3 s LYS 78 Ca -0.07 1.50 -0.29 0.00 -1.00 0.00 0.00 55.97 56.11 1wh3 s LYS 78 Cb -0.09 -2.78 -0.10 0.00 -2.06 0.00 0.00 37.83 32.80 1wh3 s LYS 78 CO -0.05 0.09 1.33 0.15 0.10 0.00 0.00 175.35 176.97 1wh3 s LYS 79 N -2.10 4.35 -0.84 1.78 1.02 0.15 -4.95 119.74 119.15 1wh3 s LYS 79 Ca 0.52 2.19 -0.20 0.00 0.02 0.00 0.00 55.97 58.50 1wh3 s LYS 79 Cb -0.23 -3.11 0.11 0.00 -0.52 0.00 0.00 37.83 34.08 1wh3 s LYS 79 CO 0.29 -0.24 1.08 0.21 -0.92 0.00 0.00 175.35 175.77 1wh3 s LYS 80 N -1.11 3.42 0.43 1.68 2.36 -1.26 -4.91 119.74 120.36 1wh3 s LYS 80 Ca 0.53 -1.41 0.00 0.00 -2.55 0.00 0.00 55.97 52.54 1wh3 s LYS 80 Cb -0.39 -4.70 0.00 0.00 -1.05 0.00 0.00 37.83 31.69 1wh3 s LYS 80 CO 0.47 -1.81 0.00 0.41 1.55 0.00 0.00 175.35 175.98 1wh3 n GLY 81 N 5.52 -2.87 3.05 5.54 0.00 -1.26 -5.02 105.19 110.15 1wh3 n GLY 81 Ca 0.14 -1.16 -0.08 0.00 0.00 0.00 0.00 46.02 44.92 1wh3 n GLY 81 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1wh3 s SER 82 N -6.61 0.36 -0.54 1.61 1.04 -1.26 -5.11 113.70 103.19 1wh3 s SER 82 Ca 0.00 -0.76 0.05 0.00 0.48 0.00 0.00 55.95 55.73 1wh3 s SER 82 Cb 0.00 0.17 0.20 0.00 0.10 0.00 0.00 66.02 66.49 1wh3 s SER 82 CO 0.00 -0.48 0.50 0.61 0.98 0.00 0.00 173.24 174.85 1wh3 n GLY 83 N 0.75 3.33 0.25 7.32 0.00 -1.26 -4.93 105.19 110.65 1wh3 n GLY 83 Ca -0.18 -2.01 -0.11 0.00 0.00 0.00 0.00 46.02 43.72 1wh3 n GLY 83 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1wh3 h PRO 84 N 4.95 0.77 -5.36 1.61 0.13 -2.06 -3.41 132.00 128.64 1wh3 h PRO 84 Ca 0.18 -0.41 -0.02 0.00 -0.87 0.00 0.00 66.00 64.89 1wh3 h PRO 84 Cb 0.81 0.01 -0.00 0.00 0.13 0.00 0.00 31.00 31.95 1wh3 h PRO 84 CO 0.58 1.04 0.04 0.45 -0.23 0.00 0.00 178.00 179.87 1wh3 s SER 85 N -6.85 3.92 0.38 1.44 0.15 -1.26 -4.91 113.70 106.56 1wh3 s SER 85 Ca -0.09 0.01 -0.17 0.00 0.70 0.00 0.00 55.95 56.40 1wh3 s SER 85 Cb 0.12 -2.55 -0.09 0.00 -1.71 0.00 0.00 66.02 61.78 1wh3 s SER 85 CO 0.86 -3.86 0.83 -0.94 1.20 0.00 0.00 173.24 171.33 1wh3 s SER 86 N 10.77 6.81 0.00 5.45 1.04 -1.26 -5.28 113.70 131.22 1wh3 s SER 86 Ca 0.92 1.44 0.00 0.00 0.48 0.00 0.00 55.95 58.78 1wh3 s SER 86 Cb -0.13 -2.44 0.00 0.00 0.10 0.00 0.00 66.02 63.55 1wh3 s SER 86 CO 0.08 -0.30 0.00 0.61 0.98 0.00 0.00 173.24 174.61