#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wuz s ASN 2 N 0.00 7.39 0.00 1.61 0.01 -1.26 -4.92 114.94 117.76 1wuz s ASN 2 Ca 0.00 1.66 0.00 0.00 -0.71 0.00 0.00 52.86 53.81 1wuz s ASN 2 Cb 0.00 -2.55 0.00 0.00 0.41 0.00 0.00 41.25 39.11 1wuz s ASN 2 CO 0.00 -0.07 0.00 -0.24 -1.51 0.00 0.00 177.10 175.28 1wuz n SER 3 N 2.95 3.37 -4.61 -1.22 2.88 -1.26 -4.89 113.62 110.84 1wuz n SER 3 Ca 0.01 0.00 -0.43 0.00 -1.33 0.00 0.00 58.87 57.12 1wuz n SER 3 Cb 0.50 0.09 -0.02 0.00 -0.75 0.00 0.00 64.21 64.02 1wuz n SER 3 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1wuz s GLN 4 N -1.80 3.70 -0.05 -1.46 -2.07 -1.26 -1.51 119.66 115.20 1wuz s GLN 4 Ca 0.00 0.82 -0.03 0.00 -1.82 0.00 0.00 55.36 54.33 1wuz s GLN 4 Cb 0.00 -3.95 0.02 0.00 -1.09 0.00 0.00 33.01 27.99 1wuz s GLN 4 CO 0.00 -1.41 0.12 0.42 -1.32 0.00 0.00 175.29 173.10 1wuz s ILE 5 N 4.83 -0.02 0.04 3.63 1.09 -0.49 -5.01 121.20 125.26 1wuz s ILE 5 Ca 0.54 0.07 -0.00 0.00 -1.10 0.00 0.00 60.65 60.16 1wuz s ILE 5 Cb -0.11 -0.19 -0.03 0.00 -1.06 0.00 0.00 42.46 41.07 1wuz s ILE 5 CO 0.30 0.03 -0.03 -1.38 -0.10 0.00 0.00 174.94 173.76 1wuz s HIS 6 N 0.48 0.42 0.23 3.97 -3.43 -1.26 -1.30 115.29 114.40 1wuz s HIS 6 Ca -0.03 -0.79 0.03 0.00 -0.80 0.00 0.00 55.06 53.46 1wuz s HIS 6 Cb -0.05 -0.30 -0.05 0.00 -1.43 0.00 0.00 32.58 30.75 1wuz s HIS 6 CO -0.02 -0.27 0.02 0.71 -2.00 0.00 0.00 174.74 173.18 1wuz s TYR 7 N -2.66 1.53 -0.07 0.38 2.02 0.61 -4.89 117.35 114.27 1wuz s TYR 7 Ca -0.04 -0.99 0.03 0.00 -0.37 0.00 0.00 57.07 55.70 1wuz s TYR 7 Cb -0.01 -0.90 0.01 0.00 -0.40 0.00 0.00 41.96 40.66 1wuz s TYR 7 CO -0.05 -0.12 -0.16 0.45 -1.57 0.00 0.00 175.55 174.10 1wuz s SER 8 N -3.30 2.19 -0.12 2.29 0.15 -0.96 -2.64 113.70 111.31 1wuz s SER 8 Ca 0.30 -0.38 -0.06 0.00 0.70 0.00 0.00 55.95 56.51 1wuz s SER 8 Cb 0.06 -0.98 0.05 0.00 -1.71 0.00 0.00 66.02 63.44 1wuz s SER 8 CO 0.09 0.08 0.29 -0.51 1.20 0.00 0.00 173.24 174.39 1wuz s ILE 9 N 0.52 -0.06 0.20 6.45 -1.16 -1.03 -4.40 121.20 121.72 1wuz s ILE 9 Ca -0.15 0.14 -0.30 0.00 -0.51 0.00 0.00 60.65 59.83 1wuz s ILE 9 Cb -0.16 -0.44 -0.09 0.00 0.61 0.00 0.00 42.46 42.38 1wuz s ILE 9 CO 0.05 0.06 1.30 -2.16 -2.81 0.00 0.00 174.94 171.38 1wuz s PRO 10 N 1.37 4.40 0.97 3.50 0.04 -1.26 -2.43 135.00 141.59 1wuz s PRO 10 Ca -0.09 2.05 -0.14 0.00 0.04 0.00 0.00 61.00 62.86 1wuz s PRO 10 Cb -0.10 -3.19 -0.02 0.00 0.04 0.00 0.00 34.50 31.22 1wuz s PRO 10 CO -0.10 -0.23 0.01 0.39 0.04 0.00 0.00 177.00 177.11 1wuz n GLU 11 N 2.53 -0.20 -2.42 4.56 1.02 -1.01 -2.91 120.64 122.20 1wuz n GLU 11 Ca 0.06 -0.03 -0.16 0.00 -0.02 0.00 0.00 57.16 57.00 1wuz n GLU 11 Cb 0.43 -1.58 -0.00 0.00 -0.02 0.00 0.00 31.44 30.27 1wuz n GLU 11 CO 0.00 0.00 0.00 -1.91 1.18 0.00 0.00 177.13 176.40 1wuz n GLU 12 N -0.35 -1.80 -2.38 3.49 2.13 -1.18 -4.93 120.64 115.61 1wuz n GLU 12 Ca 0.04 0.77 -0.43 0.00 0.66 0.00 0.00 57.16 58.20 1wuz n GLU 12 Cb 0.54 -5.17 -0.02 0.00 0.27 0.00 0.00 31.44 27.06 1wuz n GLU 12 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1wuz s ALA 13 N -2.85 3.64 0.69 4.31 0.00 -1.15 -4.90 121.76 121.50 1wuz s ALA 13 Ca 0.05 0.53 -0.11 0.00 0.00 0.00 0.00 51.96 52.43 1wuz s ALA 13 Cb -0.02 -3.62 0.00 0.00 0.00 0.00 0.00 23.12 19.48 1wuz s ALA 13 CO 0.06 -1.14 1.06 0.15 0.00 0.00 0.00 175.76 175.89 1wuz s LYS 14 N 3.38 3.01 -0.24 0.00 1.02 -1.26 -4.63 119.74 121.01 1wuz s LYS 14 Ca 0.57 0.82 -0.36 0.00 0.02 0.00 0.00 55.97 57.02 1wuz s LYS 14 Cb -0.23 -2.01 -0.13 0.00 -0.52 0.00 0.00 37.83 34.94 1wuz s LYS 14 CO 0.17 -1.01 1.97 0.72 -0.92 0.00 0.00 175.35 176.27 1wuz n HIS 15 N -3.06 1.98 0.00 3.18 8.25 -1.26 -0.82 115.22 123.49 1wuz n HIS 15 Ca 0.07 0.25 0.00 0.00 -0.26 0.00 0.00 57.72 57.78 1wuz n HIS 15 Cb 0.54 -2.56 0.00 0.00 1.12 0.00 0.00 29.99 29.09 1wuz n HIS 15 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1wuz n GLY 16 N 5.17 1.04 3.77 -1.41 0.00 -1.02 -4.97 105.19 107.76 1wuz n GLY 16 Ca 0.31 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.93 1wuz n GLY 16 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1wuz s THR 17 N -2.00 3.05 0.31 2.61 2.01 -0.00 -4.70 115.64 116.92 1wuz s THR 17 Ca 0.00 0.99 -0.29 0.00 0.31 0.00 0.00 61.69 62.70 1wuz s THR 17 Cb 0.00 -3.61 -0.10 0.00 0.01 0.00 0.00 72.50 68.80 1wuz s THR 17 CO 0.00 0.19 1.33 0.12 -0.69 0.00 0.00 174.62 175.56 1wuz s PHE 18 N -1.24 3.06 0.00 4.92 5.36 -1.26 -1.89 117.98 126.93 1wuz s PHE 18 Ca 0.51 1.34 0.00 0.00 -0.96 0.00 0.00 56.93 57.82 1wuz s PHE 18 Cb -0.35 -3.70 0.00 0.00 -0.34 0.00 0.00 43.02 38.64 1wuz s PHE 18 CO 0.45 -1.98 0.00 0.28 -1.46 0.00 0.00 175.22 172.51 1wuz n VAL 19 N 1.18 0.00 0.00 3.12 0.31 -0.60 -4.68 118.33 117.67 1wuz n VAL 19 Ca 0.01 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.34 1wuz n VAL 19 Cb 0.42 -0.58 0.00 0.00 -0.91 0.00 0.00 33.84 32.77 1wuz n VAL 19 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1wuz n GLY 20 N 2.63 3.80 3.50 2.92 0.00 -1.24 -2.27 105.19 114.52 1wuz n GLY 20 Ca 0.00 -0.36 -0.41 0.00 0.00 0.00 0.00 46.02 45.24 1wuz n GLY 20 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1wuz n ARG 21 N -0.00 0.53 -0.00 1.61 1.74 -1.26 -3.39 116.66 115.88 1wuz n ARG 21 Ca 0.00 0.04 -0.03 0.00 -0.77 0.00 0.00 57.85 57.09 1wuz n ARG 21 Cb 0.00 -2.33 0.21 0.00 -1.02 0.00 0.00 32.46 29.32 1wuz n ARG 21 CO 0.00 0.00 0.00 0.97 -1.52 0.00 0.00 177.63 177.08 1wuz h ILE 22 N 7.72 1.25 -0.23 0.55 2.10 -1.88 -2.67 117.51 124.35 1wuz h ILE 22 Ca -0.15 -1.15 -0.14 0.00 1.08 0.00 0.00 64.86 64.51 1wuz h ILE 22 Cb 1.30 1.22 -0.01 0.00 -1.09 0.00 0.00 36.82 38.24 1wuz h ILE 22 CO 1.24 0.37 -0.42 0.00 -1.08 0.00 0.00 178.15 178.26 1wuz h ALA 23 N 1.33 0.83 -0.54 0.18 0.00 -1.86 -2.54 119.26 116.66 1wuz h ALA 23 Ca 0.08 -0.45 -0.06 0.00 0.00 0.00 0.00 54.91 54.48 1wuz h ALA 23 Cb 0.58 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.25 1wuz h ALA 23 CO 0.04 0.65 0.09 0.37 0.00 0.00 0.00 179.25 180.40 1wuz h GLN 24 N 0.46 0.88 0.00 0.00 4.15 -1.80 0.20 115.11 119.00 1wuz h GLN 24 Ca 0.04 -0.23 0.00 0.00 0.77 0.00 0.00 58.65 59.22 1wuz h GLN 24 Cb 0.93 -0.10 0.00 0.00 0.21 0.00 0.00 27.48 28.51 1wuz h GLN 24 CO 0.08 0.86 0.00 -3.47 -1.93 0.00 0.00 178.83 174.37 1wuz n ASP 25 N -4.38 0.05 -0.09 -0.69 -0.08 -1.03 -3.27 116.55 107.06 1wuz n ASP 25 Ca 0.02 0.51 -0.19 0.00 -1.51 0.00 0.00 54.79 53.62 1wuz n ASP 25 Cb 0.26 -0.52 -0.13 0.00 2.34 0.00 0.00 41.12 43.07 1wuz n ASP 25 CO 0.00 0.00 0.00 0.18 0.12 0.00 0.00 177.20 177.50 1wuz n LEU 26 N -1.55 2.82 -0.33 -2.67 4.32 -0.82 -4.86 117.00 113.91 1wuz n LEU 26 Ca 0.05 -0.03 0.00 0.00 -0.02 0.00 0.00 56.01 56.01 1wuz n LEU 26 Cb 0.26 -0.94 0.00 0.00 -1.62 0.00 0.00 43.42 41.12 1wuz n LEU 26 CO 0.21 0.91 0.00 0.61 -1.22 0.00 0.00 177.39 177.89 1wuz n GLY 27 N 2.17 0.78 3.41 -0.72 0.00 0.63 -4.54 105.19 106.93 1wuz n GLY 27 Ca -0.42 -0.28 -0.23 0.00 0.00 0.00 0.00 46.02 45.10 1wuz n GLY 27 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 1wuz s LEU 28 N -0.65 1.86 0.21 0.99 0.05 -1.17 -5.08 118.68 114.88 1wuz s LEU 28 Ca 0.00 -1.70 0.02 0.00 0.05 0.00 0.00 54.13 52.50 1wuz s LEU 28 Cb 0.00 0.18 -0.04 0.00 -2.05 0.00 0.00 46.19 44.28 1wuz s LEU 28 CO 0.00 -0.98 0.36 -1.61 -0.55 0.00 0.00 176.35 173.57 1wuz s GLU 29 N -3.63 3.47 0.24 1.48 2.02 -1.26 -4.78 118.70 116.24 1wuz s GLU 29 Ca 0.31 -0.54 0.01 0.00 0.02 0.00 0.00 54.97 54.78 1wuz s GLU 29 Cb 0.03 -2.88 0.29 0.00 0.10 0.00 0.00 34.13 31.66 1wuz s GLU 29 CO 0.20 0.42 1.62 -0.07 0.02 0.00 0.00 175.26 177.45 1wuz h LEU 30 N 1.71 0.46 -0.45 1.80 -0.00 -1.92 -2.52 115.31 114.40 1wuz h LEU 30 Ca -0.49 -0.21 0.00 0.00 -0.00 0.00 0.00 57.88 57.18 1wuz h LEU 30 Cb 1.20 -0.13 0.00 0.00 -0.00 0.00 0.00 40.66 41.74 1wuz h LEU 30 CO 0.66 0.84 0.00 0.35 -0.00 0.00 0.00 178.44 180.28 1wuz n THR 31 N -4.01 0.07 0.06 0.22 -2.24 -1.26 -3.29 114.28 103.83 1wuz n THR 31 Ca -0.02 -0.13 0.11 0.00 -2.27 0.00 0.00 64.05 61.74 1wuz n THR 31 Cb 0.52 -0.03 -0.15 0.00 -2.10 0.00 0.00 70.33 68.56 1wuz n THR 31 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1wuz n GLU 32 N -0.37 0.62 -0.14 -0.78 4.71 -0.95 -4.36 120.64 119.36 1wuz n GLU 32 Ca 0.17 -0.16 -0.10 0.00 -0.01 0.00 0.00 57.16 57.05 1wuz n GLU 32 Cb 0.18 -1.54 -0.01 0.00 -1.01 0.00 0.00 31.44 29.06 1wuz n GLU 32 CO 0.00 0.00 0.00 -0.07 0.09 0.00 0.00 177.13 177.15 1wuz h LEU 33 N 0.00 0.71 0.15 -4.62 3.38 -1.53 -1.07 115.31 112.31 1wuz h LEU 33 Ca 0.00 -0.31 0.02 0.00 0.09 0.00 0.00 57.88 57.68 1wuz h LEU 33 Cb 0.97 -0.19 -0.04 0.00 0.09 0.00 0.00 40.66 41.49 1wuz h LEU 33 CO 0.00 0.84 -0.45 0.58 0.09 0.00 0.00 178.44 179.51 1wuz h VAL 34 N 0.55 0.12 0.00 1.22 2.07 -1.76 -1.22 116.25 117.23 1wuz h VAL 34 Ca 0.11 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.63 1wuz h VAL 34 Cb 0.48 0.12 0.00 0.00 -1.52 0.00 0.00 31.29 30.37 1wuz h VAL 34 CO 0.02 0.00 0.00 1.55 0.02 0.00 0.00 177.57 179.16 1wuz h PRO 35 N -0.70 0.00 -0.32 1.57 0.13 -1.77 -2.36 132.00 128.54 1wuz h PRO 35 Ca 0.01 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.14 1wuz h PRO 35 Cb 0.71 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.84 1wuz h PRO 35 CO -0.24 0.00 0.00 0.54 -0.23 0.00 0.00 178.00 178.07 1wuz n ARG 36 N -2.47 1.87 -3.88 0.86 1.74 -0.41 -4.87 116.66 109.50 1wuz n ARG 36 Ca 0.02 -1.34 -0.33 0.00 -0.77 0.00 0.00 57.85 55.43 1wuz n ARG 36 Cb 0.24 -1.34 0.01 0.00 -1.02 0.00 0.00 32.46 30.36 1wuz n ARG 36 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 1wuz n LEU 37 N 0.57 -2.04 -4.76 0.55 7.99 -0.86 -1.26 117.00 117.19 1wuz n LEU 37 Ca 0.14 -1.09 -0.41 0.00 -0.01 0.00 0.00 56.01 54.64 1wuz n LEU 37 Cb 0.34 -2.14 -0.00 0.00 -0.11 0.00 0.00 43.42 41.50 1wuz n LEU 37 CO 0.10 0.53 1.10 0.33 -1.51 0.00 0.00 177.39 177.94 1wuz n PHE 38 N -4.45 2.85 -3.76 -1.77 7.35 -0.97 -2.71 117.46 114.00 1wuz n PHE 38 Ca -0.18 0.45 -0.13 0.00 -0.76 0.00 0.00 57.45 56.84 1wuz n PHE 38 Cb 0.62 -2.51 -0.10 0.00 0.35 0.00 0.00 39.48 37.83 1wuz n PHE 38 CO 0.00 0.00 0.00 0.50 -0.76 0.00 0.00 176.76 176.50 1wuz s ARG 39 N -1.94 0.46 -0.04 -4.13 6.06 0.55 -4.97 118.95 114.93 1wuz s ARG 39 Ca 0.54 0.26 0.06 0.00 -2.50 0.00 0.00 55.73 54.10 1wuz s ARG 39 Cb -0.50 0.22 -0.01 0.00 0.06 0.00 0.00 34.95 34.72 1wuz s ARG 39 CO 0.62 -0.08 -0.24 0.08 -2.50 0.00 0.00 175.30 173.18 1wuz s VAL 40 N -0.27 1.92 0.27 7.11 1.01 -1.26 -0.33 120.40 128.85 1wuz s VAL 40 Ca -0.04 -1.01 -0.11 0.00 0.00 0.00 0.00 61.98 60.82 1wuz s VAL 40 Cb -0.03 -1.62 0.00 0.00 0.00 0.00 0.00 36.38 34.73 1wuz s VAL 40 CO 0.01 0.54 0.50 0.00 0.00 0.00 0.00 175.10 176.15 1wuz s ALA 41 N -0.26 -0.09 0.07 5.51 0.00 -0.89 -4.92 121.76 121.17 1wuz s ALA 41 Ca 0.00 -0.99 -0.26 0.00 0.00 0.00 0.00 51.96 50.71 1wuz s ALA 41 Cb -0.12 1.06 0.08 0.00 0.00 0.00 0.00 23.12 24.14 1wuz s ALA 41 CO 0.02 -0.85 0.71 0.45 0.00 0.00 0.00 175.76 176.09 1wuz s SER 42 N -3.06 -0.52 -0.00 0.00 0.15 -1.23 -2.45 113.70 106.58 1wuz s SER 42 Ca 0.24 0.14 0.00 0.00 0.70 0.00 0.00 55.95 57.03 1wuz s SER 42 Cb -0.01 0.52 -0.26 0.00 -1.71 0.00 0.00 66.02 64.56 1wuz s SER 42 CO 0.11 -0.79 0.83 0.11 1.20 0.00 0.00 173.24 174.70 1wuz h LYS 43 N 2.19 0.18 0.00 5.44 1.79 -1.93 -2.93 116.57 121.32 1wuz h LYS 43 Ca -0.29 -0.32 0.00 0.00 -2.18 0.00 0.00 60.65 57.86 1wuz h LYS 43 Cb 1.26 0.12 0.00 0.00 -1.58 0.00 0.00 32.23 32.02 1wuz h LYS 43 CO 0.36 1.01 0.00 -0.25 -1.08 0.00 0.00 179.45 179.49 1wuz n ASP 44 N -3.38 0.00 -0.00 0.86 8.00 -1.26 -4.58 116.55 116.19 1wuz n ASP 44 Ca -0.16 0.70 0.01 0.00 0.71 0.00 0.00 54.79 56.05 1wuz n ASP 44 Cb 1.03 -0.20 -0.02 0.00 -0.02 0.00 0.00 41.12 41.92 1wuz n ASP 44 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 1wuz n ARG 45 N -1.16 1.35 0.00 -1.24 5.12 -1.26 -5.01 116.66 114.46 1wuz n ARG 45 Ca 0.00 -0.02 0.00 0.00 -1.93 0.00 0.00 57.85 55.90 1wuz n ARG 45 Cb 0.00 -0.96 0.00 0.00 -1.16 0.00 0.00 32.46 30.34 1wuz n ARG 45 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1wuz n GLY 46 N 2.09 2.28 2.26 -0.13 0.00 -1.10 -4.90 105.19 105.69 1wuz n GLY 46 Ca -0.00 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.78 1wuz n GLY 46 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1wuz n ASP 47 N 0.00 1.07 0.04 1.61 8.00 -1.26 -3.51 116.55 122.50 1wuz n ASP 47 Ca 0.00 -2.92 -0.19 0.00 0.71 0.00 0.00 54.79 52.39 1wuz n ASP 47 Cb 0.00 -0.64 -0.14 0.00 -0.02 0.00 0.00 41.12 40.32 1wuz n ASP 47 CO 0.00 0.00 0.00 -0.07 -0.39 0.00 0.00 177.20 176.74 1wuz h LEU 48 N 3.77 0.45 0.00 0.64 3.38 -1.91 -3.38 115.31 118.26 1wuz h LEU 48 Ca 0.10 -0.94 -0.13 0.00 0.09 0.00 0.00 57.88 57.00 1wuz h LEU 48 Cb 0.85 -0.15 -0.03 0.00 0.09 0.00 0.00 40.66 41.42 1wuz h LEU 48 CO 0.54 1.35 0.00 0.18 0.09 0.00 0.00 178.44 180.61 1wuz n LEU 49 N -4.16 0.00 -3.67 1.67 4.32 -1.26 -2.54 117.00 111.36 1wuz n LEU 49 Ca -0.13 -1.93 -0.15 0.00 -0.02 0.00 0.00 56.01 53.79 1wuz n LEU 49 Cb 0.79 2.10 -0.08 0.00 -1.62 0.00 0.00 43.42 44.60 1wuz n LEU 49 CO 0.48 -0.51 0.22 -1.61 -1.22 0.00 0.00 177.39 174.75 1wuz s GLU 50 N -2.38 0.75 0.03 3.23 2.02 -1.07 -4.83 118.70 116.44 1wuz s GLU 50 Ca 0.17 0.37 -0.09 0.00 0.02 0.00 0.00 54.97 55.44 1wuz s GLU 50 Cb -0.02 0.35 -0.05 0.00 0.10 0.00 0.00 34.13 34.51 1wuz s GLU 50 CO 0.12 -0.17 0.33 0.54 0.02 0.00 0.00 175.26 176.11 1wuz s VAL 51 N -0.52 5.20 -0.27 2.63 0.11 -1.26 -2.37 120.40 123.92 1wuz s VAL 51 Ca -0.06 0.37 -0.11 0.00 -2.93 0.00 0.00 61.98 59.25 1wuz s VAL 51 Cb -0.03 -3.61 -0.05 0.00 -1.53 0.00 0.00 36.38 31.16 1wuz s VAL 51 CO 0.04 0.38 0.18 0.21 -3.33 0.00 0.00 175.10 172.57 1wuz s ASN 52 N -1.61 5.99 0.00 3.54 2.47 -1.05 -4.95 114.94 119.34 1wuz s ASN 52 Ca 0.28 0.01 0.18 0.00 0.42 0.00 0.00 52.86 53.75 1wuz s ASN 52 Cb -0.14 -2.11 0.85 0.00 -1.45 0.00 0.00 41.25 38.40 1wuz s ASN 52 CO 0.16 -0.02 1.54 0.18 -3.72 0.00 0.00 177.10 175.24 1wuz n LEU 53 N 4.87 0.00 0.30 3.21 4.77 -1.26 0.05 117.00 128.94 1wuz n LEU 53 Ca -0.14 0.36 -0.14 0.00 -0.03 0.00 0.00 56.01 56.06 1wuz n LEU 53 Cb 0.52 -0.36 -0.07 0.00 -2.33 0.00 0.00 43.42 41.18 1wuz n LEU 53 CO 0.33 -0.15 0.39 -0.61 -1.33 0.00 0.00 177.39 176.03 1wuz h GLN 54 N 0.00 -0.78 0.00 3.23 5.75 -1.93 -3.41 115.11 117.98 1wuz h GLN 54 Ca 0.00 0.05 -0.03 0.00 -0.15 0.00 0.00 58.65 58.53 1wuz h GLN 54 Cb 0.21 0.18 -0.00 0.00 1.07 0.00 0.00 27.48 28.93 1wuz h GLN 54 CO 0.00 -0.48 -1.14 0.09 -2.65 0.00 0.00 178.83 174.65 1wuz n ASN 55 N -5.32 4.46 0.00 -0.69 4.13 -1.22 -5.03 115.26 111.58 1wuz n ASN 55 Ca -0.11 0.00 0.00 0.00 1.68 0.00 0.00 54.58 56.15 1wuz n ASN 55 Cb 0.34 0.75 0.00 0.00 -1.54 0.00 0.00 39.78 39.33 1wuz n ASN 55 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1wuz n GLY 56 N 2.69 1.47 3.73 7.41 0.00 0.11 -4.93 105.19 115.66 1wuz n GLY 56 Ca -0.02 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.61 1wuz n GLY 56 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 1wuz n ILE 57 N -1.19 4.11 -3.48 -0.61 0.13 -1.26 -3.52 119.36 113.55 1wuz n ILE 57 Ca 0.00 -0.50 -0.38 0.00 -1.10 0.00 0.00 62.75 60.77 1wuz n ILE 57 Cb 0.00 -1.59 -0.09 0.00 -0.84 0.00 0.00 39.64 37.12 1wuz n ILE 57 CO 0.00 0.00 0.00 -0.22 2.80 0.00 0.00 176.55 179.13 1wuz s LEU 58 N -3.56 4.06 0.18 9.51 1.98 -1.22 -2.52 118.68 127.13 1wuz s LEU 58 Ca 0.75 0.23 0.06 0.00 -2.89 0.00 0.00 54.13 52.28 1wuz s LEU 58 Cb -0.41 -2.32 -0.04 0.00 0.66 0.00 0.00 46.19 44.08 1wuz s LEU 58 CO 0.47 -0.10 0.09 0.72 -1.89 0.00 0.00 176.35 175.64 1wuz s PHE 59 N 1.72 3.02 0.26 5.38 -0.71 -1.00 -1.55 117.98 125.11 1wuz s PHE 59 Ca 0.13 -0.08 -0.25 0.00 -1.04 0.00 0.00 56.93 55.68 1wuz s PHE 59 Cb -0.15 -1.44 -0.09 0.00 -1.21 0.00 0.00 43.02 40.13 1wuz s PHE 59 CO 0.09 0.53 0.87 0.08 -1.34 0.00 0.00 175.22 175.45 1wuz s VAL 60 N -1.83 4.28 -0.34 -2.49 1.01 -0.79 -2.61 120.40 117.63 1wuz s VAL 60 Ca 0.30 1.75 0.15 0.00 0.00 0.00 0.00 61.98 64.18 1wuz s VAL 60 Cb -0.09 -4.06 0.44 0.00 0.00 0.00 0.00 36.38 32.66 1wuz s VAL 60 CO 0.22 0.28 1.16 -3.20 0.00 0.00 0.00 175.10 173.57 1wuz n ASN 61 N 0.93 0.02 -3.46 3.32 5.15 -1.05 -2.44 115.26 117.72 1wuz n ASN 61 Ca -0.01 -2.51 -0.06 0.00 -0.60 0.00 0.00 54.58 51.41 1wuz n ASN 61 Cb 0.49 0.13 0.00 0.00 -0.53 0.00 0.00 39.78 39.87 1wuz n ASN 61 CO 0.00 0.00 0.00 -0.94 1.40 0.00 0.00 177.26 177.72 1wuz s SER 62 N -2.35 -0.11 -0.25 1.20 1.04 -1.09 -4.40 113.70 107.75 1wuz s SER 62 Ca 0.24 -0.73 -0.29 0.00 0.48 0.00 0.00 55.95 55.65 1wuz s SER 62 Cb 0.42 0.66 -0.02 0.00 0.10 0.00 0.00 66.02 67.18 1wuz s SER 62 CO -0.03 -1.27 1.66 -0.13 0.98 0.00 0.00 173.24 174.45 1wuz s ARG 63 N -2.95 3.69 -0.01 4.02 1.81 -1.26 -4.82 118.95 119.42 1wuz s ARG 63 Ca 0.15 1.61 0.13 0.00 -1.72 0.00 0.00 55.73 55.89 1wuz s ARG 63 Cb -0.04 -4.07 -0.19 0.00 -0.45 0.00 0.00 34.95 30.20 1wuz s ARG 63 CO 0.07 -1.42 0.33 -0.89 -0.68 0.00 0.00 175.30 172.70 1wuz n ILE 64 N 6.65 0.00 -1.75 1.52 2.08 -1.26 -4.11 119.36 122.49 1wuz n ILE 64 Ca 0.20 -0.28 -0.39 0.00 0.56 0.00 0.00 62.75 62.84 1wuz n ILE 64 Cb 0.46 0.35 0.04 0.00 -0.75 0.00 0.00 39.64 39.74 1wuz n ILE 64 CO 0.00 0.00 0.00 0.47 0.56 0.00 0.00 176.55 177.58 1wuz n ASP 65 N -1.82 2.83 -0.29 4.38 9.92 -1.26 -3.10 116.55 127.20 1wuz n ASP 65 Ca -0.01 1.01 0.34 0.00 -0.53 0.00 0.00 54.79 55.60 1wuz n ASP 65 Cb 0.31 -1.58 0.74 0.00 -0.64 0.00 0.00 41.12 39.94 1wuz n ASP 65 CO 0.00 0.00 0.00 0.08 0.13 0.00 0.00 177.20 177.41 1wuz h ARG 66 N 1.61 0.00 0.01 -1.24 0.11 -1.95 0.48 114.38 113.41 1wuz h ARG 66 Ca -0.51 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.57 1wuz h ARG 66 Cb 1.30 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 32.37 1wuz h ARG 66 CO 0.58 0.00 -0.06 0.93 0.10 0.00 0.00 179.97 181.52 1wuz h GLU 67 N 0.00 -0.08 0.19 0.08 5.08 -1.89 0.44 114.58 118.40 1wuz h GLU 67 Ca 0.54 0.01 -0.33 0.00 -1.00 0.00 0.00 59.36 58.58 1wuz h GLU 67 Cb 2.27 0.02 0.01 0.00 0.50 0.00 0.00 28.75 31.55 1wuz h GLU 67 CO -0.01 -0.05 -1.58 0.93 -1.00 0.00 0.00 179.01 177.30 1wuz h GLU 68 N -0.08 0.39 0.00 2.33 4.39 -1.74 -3.39 114.58 116.48 1wuz h GLU 68 Ca -0.00 -0.67 0.00 0.00 0.34 0.00 0.00 59.36 59.03 1wuz h GLU 68 Cb 0.08 0.25 0.00 0.00 -0.10 0.00 0.00 28.75 28.98 1wuz h GLU 68 CO -0.03 1.30 0.00 -0.11 -1.16 0.00 0.00 179.01 179.01 1wuz n LEU 69 N -3.59 0.00 0.10 1.33 -0.00 0.16 -4.87 117.00 110.13 1wuz n LEU 69 Ca -0.19 0.85 0.00 0.00 -0.00 0.00 0.00 56.01 56.67 1wuz n LEU 69 Cb 1.07 -0.35 0.00 0.00 -0.00 0.00 0.00 43.42 44.14 1wuz n LEU 69 CO 0.54 -0.35 0.00 0.00 -0.00 0.00 0.00 177.39 177.58 1wuz n GLY 71 N -0.70 1.33 3.17 0.00 0.00 0.15 -4.85 105.19 104.28 1wuz n GLY 71 Ca 0.00 -0.78 -0.44 0.00 0.00 0.00 0.00 46.02 44.81 1wuz n GLY 71 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1wuz n ARG 72 N 0.00 3.74 -3.67 1.61 1.74 -1.26 -4.70 116.66 114.12 1wuz n ARG 72 Ca 0.00 -4.06 -0.12 0.00 -0.77 0.00 0.00 57.85 52.90 1wuz n ARG 72 Cb 0.00 -2.78 -0.12 0.00 -1.02 0.00 0.00 32.46 28.54 1wuz n ARG 72 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 1wuz s SER 73 N 0.89 0.09 0.56 0.55 0.15 -1.26 -4.97 113.70 109.71 1wuz s SER 73 Ca 0.37 0.73 0.28 0.00 0.70 0.00 0.00 55.95 58.03 1wuz s SER 73 Cb 0.01 0.90 1.48 0.00 -1.71 0.00 0.00 66.02 66.70 1wuz s SER 73 CO 0.01 -0.23 1.96 0.00 1.20 0.00 0.00 173.24 176.18 1wuz h ALA 74 N 8.15 2.30 -1.01 5.45 0.00 -1.90 -3.35 119.26 128.90 1wuz h ALA 74 Ca -0.17 -0.02 0.18 0.00 0.00 0.00 0.00 54.91 54.90 1wuz h ALA 74 Cb 1.12 0.04 -0.26 0.00 0.00 0.00 0.00 17.79 18.68 1wuz h ALA 74 CO 0.15 -0.67 0.37 -2.00 0.00 0.00 0.00 179.25 177.10 1wuz s GLU 75 N -4.80 0.25 -0.02 0.00 2.12 -1.26 -4.30 118.70 110.68 1wuz s GLU 75 Ca -0.05 0.54 0.03 0.00 0.36 0.00 0.00 54.97 55.86 1wuz s GLU 75 Cb 0.18 0.24 -0.03 0.00 0.26 0.00 0.00 34.13 34.78 1wuz s GLU 75 CO 0.64 -0.07 -0.09 0.00 -0.54 0.00 0.00 175.26 175.19 1wuz s SER 77 N -1.11 5.96 0.00 0.00 1.04 -1.26 -2.53 113.70 115.80 1wuz s SER 77 Ca 0.14 0.08 0.03 0.00 0.48 0.00 0.00 55.95 56.68 1wuz s SER 77 Cb -0.11 -1.71 -0.01 0.00 0.10 0.00 0.00 66.02 64.29 1wuz s SER 77 CO 0.04 0.11 -0.10 -0.63 0.98 0.00 0.00 173.24 173.65 1wuz s ILE 78 N -1.61 0.75 -0.02 -1.02 1.09 -0.50 -5.01 121.20 114.88 1wuz s ILE 78 Ca 0.33 -0.52 0.05 0.00 -1.10 0.00 0.00 60.65 59.41 1wuz s ILE 78 Cb -0.11 -0.65 -0.03 0.00 -1.06 0.00 0.00 42.46 40.60 1wuz s ILE 78 CO 0.26 0.13 -0.15 -1.00 -0.10 0.00 0.00 174.94 174.08 1wuz s HIS 79 N -0.38 2.66 0.04 3.97 3.76 -1.26 -1.94 115.29 122.15 1wuz s HIS 79 Ca 0.02 -0.19 -0.03 0.00 -0.15 0.00 0.00 55.06 54.72 1wuz s HIS 79 Cb -0.05 -1.58 -0.02 0.00 1.11 0.00 0.00 32.58 32.05 1wuz s HIS 79 CO -0.00 0.21 0.04 -1.17 -0.85 0.00 0.00 174.74 172.97 1wuz s LEU 80 N -0.99 2.09 -0.13 0.89 0.20 0.93 -4.73 118.68 116.95 1wuz s LEU 80 Ca 0.13 -0.68 -0.01 0.00 0.69 0.00 0.00 54.13 54.26 1wuz s LEU 80 Cb -0.11 0.40 0.03 0.00 -0.43 0.00 0.00 46.19 46.09 1wuz s LEU 80 CO 0.02 -0.51 -0.05 -1.61 -0.29 0.00 0.00 176.35 173.92 1wuz s GLU 81 N -2.88 1.28 -0.45 1.98 2.02 -1.03 -2.16 118.70 117.47 1wuz s GLU 81 Ca -0.03 -0.27 -0.18 0.00 0.02 0.00 0.00 54.97 54.51 1wuz s GLU 81 Cb 0.00 -1.63 0.03 0.00 0.10 0.00 0.00 34.13 32.64 1wuz s GLU 81 CO -0.06 -0.34 0.51 0.08 0.02 0.00 0.00 175.26 175.47 1wuz s VAL 82 N 1.74 5.01 -0.28 2.63 1.01 -1.06 -2.10 120.40 127.34 1wuz s VAL 82 Ca 0.03 -0.37 -0.27 0.00 0.00 0.00 0.00 61.98 61.38 1wuz s VAL 82 Cb -0.14 -4.14 0.01 0.00 0.00 0.00 0.00 36.38 32.12 1wuz s VAL 82 CO -0.08 -0.56 0.95 -0.63 0.00 0.00 0.00 175.10 174.79 1wuz s ILE 83 N 2.32 4.67 -0.14 2.22 1.09 0.55 -1.92 121.20 129.99 1wuz s ILE 83 Ca 0.14 1.63 0.01 0.00 -1.10 0.00 0.00 60.65 61.33 1wuz s ILE 83 Cb -0.18 -4.27 -0.00 0.00 -1.06 0.00 0.00 42.46 36.95 1wuz s ILE 83 CO 0.14 -0.29 -0.17 0.68 -0.10 0.00 0.00 174.94 175.20 1wuz s VAL 84 N 3.24 2.56 -0.33 2.92 -7.23 -0.70 -0.33 120.40 120.53 1wuz s VAL 84 Ca 0.40 -0.82 -0.12 0.00 -1.81 0.00 0.00 61.98 59.63 1wuz s VAL 84 Cb -0.14 -2.06 -0.02 0.00 0.56 0.00 0.00 36.38 34.73 1wuz s VAL 84 CO 0.11 0.53 0.22 -0.62 -0.31 0.00 0.00 175.10 175.03 1wuz s ASP 85 N 0.68 5.96 -0.23 4.85 -1.08 -0.39 -2.28 116.67 124.18 1wuz s ASP 85 Ca -0.08 -0.42 -0.05 0.00 -0.52 0.00 0.00 52.55 51.48 1wuz s ASP 85 Cb -0.16 -2.11 0.01 0.00 -1.46 0.00 0.00 42.92 39.20 1wuz s ASP 85 CO 0.02 -0.22 0.18 0.54 0.52 0.00 0.00 175.17 176.21 1wuz n ARG 86 N 5.08 -1.87 -1.36 4.34 1.74 -1.26 -3.32 116.66 120.01 1wuz n ARG 86 Ca -0.13 1.74 -0.31 0.00 -0.77 0.00 0.00 57.85 58.38 1wuz n ARG 86 Cb 0.50 -3.92 0.08 0.00 -1.02 0.00 0.00 32.46 28.10 1wuz n ARG 86 CO 0.00 0.00 0.00 -1.25 -1.52 0.00 0.00 177.63 174.86 1wuz s PRO 87 N -1.48 2.36 -0.41 5.56 0.04 -1.26 -4.24 135.00 135.57 1wuz s PRO 87 Ca 0.07 1.21 -0.21 0.00 0.04 0.00 0.00 61.00 62.12 1wuz s PRO 87 Cb -0.02 -1.91 0.02 0.00 0.04 0.00 0.00 34.50 32.63 1wuz s PRO 87 CO 0.49 -1.57 0.65 -0.51 0.04 0.00 0.00 177.00 176.11 1wuz s LEU 88 N -5.71 4.38 0.00 -3.56 1.43 -1.25 -4.67 118.68 109.30 1wuz s LEU 88 Ca 0.62 -0.12 -0.22 0.00 -1.03 0.00 0.00 54.13 53.38 1wuz s LEU 88 Cb -0.18 -2.77 0.07 0.00 0.03 0.00 0.00 46.19 43.34 1wuz s LEU 88 CO 0.53 -0.72 0.99 0.00 0.23 0.00 0.00 176.35 177.38 1wuz n GLN 89 N 6.22 0.02 -4.26 1.70 1.13 -0.96 -5.05 117.38 116.19 1wuz n GLN 89 Ca -0.01 -0.39 -0.18 0.00 -1.94 0.00 0.00 57.00 54.48 1wuz n GLN 89 Cb 0.48 0.76 -0.11 0.00 0.11 0.00 0.00 30.24 31.48 1wuz n GLN 89 CO 0.00 0.00 0.00 0.08 -1.44 0.00 0.00 177.06 175.70 1wuz s VAL 90 N -2.01 1.36 -0.15 5.09 1.01 -1.26 -1.71 120.40 122.73 1wuz s VAL 90 Ca 0.24 -1.83 0.01 0.00 0.00 0.00 0.00 61.98 60.39 1wuz s VAL 90 Cb -0.00 -1.65 -0.00 0.00 0.00 0.00 0.00 36.38 34.73 1wuz s VAL 90 CO -0.02 -0.48 -0.16 -0.36 0.00 0.00 0.00 175.10 174.08 1wuz s PHE 91 N -2.41 2.77 -0.31 5.22 0.08 -0.81 -4.93 117.98 117.59 1wuz s PHE 91 Ca 0.12 -1.07 -0.29 0.00 0.12 0.00 0.00 56.93 55.81 1wuz s PHE 91 Cb -0.03 -1.88 -0.00 0.00 -0.57 0.00 0.00 43.02 40.53 1wuz s PHE 91 CO 0.03 -0.49 1.42 -1.58 -0.10 0.00 0.00 175.22 174.50 1wuz s HIS 92 N 0.81 2.45 -0.12 0.36 2.46 -0.57 -2.57 115.29 118.10 1wuz s HIS 92 Ca -0.06 0.74 0.03 0.00 0.47 0.00 0.00 55.06 56.24 1wuz s HIS 92 Cb -0.15 -4.02 0.00 0.00 -0.13 0.00 0.00 32.58 28.28 1wuz s HIS 92 CO -0.00 -2.11 -0.22 0.08 -2.47 0.00 0.00 174.74 170.02 1wuz s VAL 93 N 4.89 2.15 -0.16 0.89 1.01 -0.92 -1.40 120.40 126.86 1wuz s VAL 93 Ca 0.62 -0.97 -0.01 0.00 0.00 0.00 0.00 61.98 61.62 1wuz s VAL 93 Cb -0.18 -1.85 0.04 0.00 0.00 0.00 0.00 36.38 34.40 1wuz s VAL 93 CO 0.27 0.55 -0.03 -1.61 0.00 0.00 0.00 175.10 174.28 1wuz s GLU 94 N 0.59 1.21 -0.13 2.72 2.02 -0.42 -0.04 118.70 124.64 1wuz s GLU 94 Ca -0.12 -0.45 -0.02 0.00 0.02 0.00 0.00 54.97 54.40 1wuz s GLU 94 Cb -0.17 -1.94 -0.02 0.00 0.10 0.00 0.00 34.13 32.10 1wuz s GLU 94 CO 0.03 -0.46 -0.08 0.14 0.02 0.00 0.00 175.26 174.91 1wuz s VAL 95 N 1.70 3.54 0.16 2.63 -7.23 -0.82 -0.28 120.40 120.11 1wuz s VAL 95 Ca 0.01 -0.49 0.06 0.00 -1.81 0.00 0.00 61.98 59.74 1wuz s VAL 95 Cb -0.15 -2.52 -0.04 0.00 0.56 0.00 0.00 36.38 34.23 1wuz s VAL 95 CO -0.07 0.52 0.09 -1.83 -0.31 0.00 0.00 175.10 173.50 1wuz s GLU 96 N 0.19 2.75 -0.24 4.82 -1.05 -1.08 -1.41 118.70 122.69 1wuz s GLU 96 Ca -0.04 -0.93 -0.07 0.00 -0.15 0.00 0.00 54.97 53.77 1wuz s GLU 96 Cb -0.14 -2.57 -0.03 0.00 -0.44 0.00 0.00 34.13 30.95 1wuz s GLU 96 CO 0.04 0.48 0.07 0.14 0.95 0.00 0.00 175.26 176.94 1wuz s VAL 97 N -1.72 4.39 -0.41 1.83 -7.23 -1.05 -2.48 120.40 113.74 1wuz s VAL 97 Ca 0.30 -0.15 -0.23 0.00 -1.81 0.00 0.00 61.98 60.09 1wuz s VAL 97 Cb -0.10 -3.04 0.02 0.00 0.56 0.00 0.00 36.38 33.82 1wuz s VAL 97 CO 0.22 0.36 0.77 -0.13 -0.31 0.00 0.00 175.10 176.01 1wuz s ARG 98 N 1.40 3.55 -0.03 4.82 1.81 -1.02 -4.27 118.95 125.20 1wuz s ARG 98 Ca 0.05 0.05 -0.12 0.00 -1.72 0.00 0.00 55.73 54.00 1wuz s ARG 98 Cb -0.15 -3.88 0.04 0.00 -0.45 0.00 0.00 34.95 30.51 1wuz s ARG 98 CO 0.04 -0.99 0.51 -0.25 -0.68 0.00 0.00 175.30 173.93 1wuz n ASP 99 N 6.56 -0.39 -4.15 0.23 9.92 -1.26 -2.40 116.55 125.06 1wuz n ASP 99 Ca 0.02 -1.02 -0.12 0.00 -0.53 0.00 0.00 54.79 53.15 1wuz n ASP 99 Cb 0.48 0.59 -0.10 0.00 -0.64 0.00 0.00 41.12 41.44 1wuz n ASP 99 CO 0.00 0.00 0.00 0.27 0.13 0.00 0.00 177.20 177.60 1wuz s ILE 100 N -2.02 0.70 0.40 0.53 -0.00 -1.26 -4.49 121.20 115.06 1wuz s ILE 100 Ca 0.12 -1.68 0.08 0.00 -0.00 0.00 0.00 60.65 59.17 1wuz s ILE 100 Cb -0.00 -1.37 0.20 0.00 -0.00 0.00 0.00 42.46 41.29 1wuz s ILE 100 CO -0.01 -0.70 1.98 -1.13 -0.00 0.00 0.00 174.94 175.07 1wuz h ASN 101 N 3.43 0.33 -0.37 4.36 -1.24 -1.84 -1.86 115.58 118.40 1wuz h ASN 101 Ca -0.36 -0.04 0.11 0.00 0.71 0.00 0.00 56.30 56.72 1wuz h ASN 101 Cb 1.18 -0.09 -0.01 0.00 0.73 0.00 0.00 38.32 40.13 1wuz h ASN 101 CO 0.57 0.37 0.31 -0.78 -1.29 0.00 0.00 177.43 176.60 1wuz h ASP 102 N 0.36 0.00 -0.01 1.15 3.58 -1.94 -3.46 116.42 116.10 1wuz h ASP 102 Ca 0.09 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.54 1wuz h ASP 102 Cb 0.19 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.24 1wuz h ASP 102 CO 0.00 0.00 0.00 -3.20 -2.88 0.00 0.00 179.24 173.16