#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wuz n ASN 2 N 0.00 -2.08 0.07 1.61 3.02 -1.26 -4.96 115.26 111.65 1wuz n ASN 2 Ca 0.00 0.25 0.00 0.00 -0.03 0.00 0.00 54.58 54.80 1wuz n ASN 2 Cb 0.00 -1.17 0.00 0.00 -0.61 0.00 0.00 39.78 38.00 1wuz n ASN 2 CO 0.00 0.00 0.00 -0.24 -2.62 0.00 0.00 177.26 174.40 1wuz n SER 3 N -1.48 -0.32 -4.53 6.41 2.88 -1.26 -4.93 113.62 110.39 1wuz n SER 3 Ca 0.06 0.25 -0.42 0.00 -1.33 0.00 0.00 58.87 57.42 1wuz n SER 3 Cb 0.55 0.43 -0.03 0.00 -0.75 0.00 0.00 64.21 64.41 1wuz n SER 3 CO 0.00 0.00 0.00 -1.10 -1.23 0.00 0.00 175.04 172.71 1wuz s GLN 4 N -2.00 3.30 0.01 -1.46 -0.21 -1.26 -1.14 119.66 116.91 1wuz s GLN 4 Ca 0.00 -0.24 0.04 0.00 0.02 0.00 0.00 55.36 55.18 1wuz s GLN 4 Cb 0.00 -4.10 -0.01 0.00 1.00 0.00 0.00 33.01 29.89 1wuz s GLN 4 CO 0.00 -1.74 -0.13 0.42 -2.12 0.00 0.00 175.29 171.73 1wuz s ILE 5 N 4.60 0.99 0.03 1.08 -1.09 -0.12 -5.03 121.20 121.65 1wuz s ILE 5 Ca 0.33 -0.72 0.00 0.00 -2.23 0.00 0.00 60.65 58.03 1wuz s ILE 5 Cb -0.11 -0.86 -0.02 0.00 -1.58 0.00 0.00 42.46 39.89 1wuz s ILE 5 CO 0.18 0.13 -0.04 -1.38 -1.23 0.00 0.00 174.94 172.60 1wuz s HIS 6 N -0.55 0.36 0.35 3.97 -3.43 -1.26 -1.12 115.29 113.61 1wuz s HIS 6 Ca 0.03 -0.56 0.07 0.00 -0.80 0.00 0.00 55.06 53.79 1wuz s HIS 6 Cb -0.06 -0.25 -0.07 0.00 -1.43 0.00 0.00 32.58 30.77 1wuz s HIS 6 CO 0.00 -0.18 -0.01 0.71 -2.00 0.00 0.00 174.74 173.26 1wuz s TYR 7 N -1.61 2.23 -0.12 0.38 2.02 -0.41 -4.91 117.35 114.94 1wuz s TYR 7 Ca -0.13 -0.71 0.03 0.00 -0.37 0.00 0.00 57.07 55.88 1wuz s TYR 7 Cb -0.09 -1.43 0.01 0.00 -0.40 0.00 0.00 41.96 40.05 1wuz s TYR 7 CO -0.01 0.33 -0.20 -1.12 -1.57 0.00 0.00 175.55 172.98 1wuz s SER 8 N -3.58 2.85 -0.17 2.29 0.01 -0.84 -2.75 113.70 111.51 1wuz s SER 8 Ca 0.34 -0.53 -0.04 0.00 1.31 0.00 0.00 55.95 57.03 1wuz s SER 8 Cb 0.07 -1.30 0.08 0.00 0.21 0.00 0.00 66.02 65.08 1wuz s SER 8 CO 0.16 0.08 0.26 -0.51 0.41 0.00 0.00 173.24 173.63 1wuz s ILE 9 N 0.74 -0.40 0.38 1.44 1.10 -1.06 -4.49 121.20 118.90 1wuz s ILE 9 Ca -0.10 0.11 -0.26 0.00 -0.51 0.00 0.00 60.65 59.89 1wuz s ILE 9 Cb -0.16 -0.56 -0.09 0.00 0.15 0.00 0.00 42.46 41.80 1wuz s ILE 9 CO 0.01 -0.02 1.20 -2.16 -2.11 0.00 0.00 174.94 171.86 1wuz s PRO 10 N 2.40 4.12 1.03 3.50 0.04 -1.26 -2.50 135.00 142.33 1wuz s PRO 10 Ca 0.04 1.92 -0.18 0.00 0.04 0.00 0.00 61.00 62.82 1wuz s PRO 10 Cb -0.14 -2.77 -0.01 0.00 0.04 0.00 0.00 34.50 31.62 1wuz s PRO 10 CO -0.10 -0.28 -0.29 0.39 0.04 0.00 0.00 177.00 176.76 1wuz n GLU 11 N 0.25 -0.65 -2.80 4.56 -0.58 -0.93 -3.51 120.64 116.97 1wuz n GLU 11 Ca 0.03 -0.17 -0.15 0.00 -0.42 0.00 0.00 57.16 56.45 1wuz n GLU 11 Cb 0.45 -1.51 0.03 0.00 -0.57 0.00 0.00 31.44 29.84 1wuz n GLU 11 CO 0.00 0.00 0.00 -1.91 -0.48 0.00 0.00 177.13 174.74 1wuz n GLU 12 N -0.39 -3.41 -3.09 3.49 2.13 -1.26 -4.97 120.64 113.15 1wuz n GLU 12 Ca 0.02 0.59 -0.45 0.00 0.66 0.00 0.00 57.16 57.98 1wuz n GLU 12 Cb 0.61 -4.79 -0.04 0.00 0.27 0.00 0.00 31.44 27.49 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 -2.98 3.41 0.84 4.31 0.00 -1.23 -5.00 121.76 121.11 1wuz s ALA 13 Ca 0.22 -2.26 -0.12 0.00 0.00 0.00 0.00 51.96 49.80 1wuz s ALA 13 Cb -0.10 -3.58 0.10 0.00 0.00 0.00 0.00 23.12 19.55 1wuz s ALA 13 CO 0.27 -2.41 1.16 0.15 0.00 0.00 0.00 175.76 174.93 1wuz s LYS 14 N 2.71 1.53 -0.19 0.00 -0.14 -1.26 -4.54 119.74 117.85 1wuz s LYS 14 Ca 0.13 1.59 -0.37 0.00 -1.36 0.00 0.00 55.97 55.96 1wuz s LYS 14 Cb -0.22 -1.78 -0.13 0.00 -1.68 0.00 0.00 37.83 34.01 1wuz s LYS 14 CO 0.05 -2.26 1.84 0.72 -0.76 0.00 0.00 175.35 174.94 1wuz n HIS 15 N -3.64 2.17 0.00 3.18 8.25 -1.26 -1.34 115.22 122.58 1wuz n HIS 15 Ca 0.12 0.25 0.00 0.00 -0.26 0.00 0.00 57.72 57.83 1wuz n HIS 15 Cb 0.51 -2.57 0.00 0.00 1.12 0.00 0.00 29.99 29.06 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 4.44 1.07 3.78 -1.41 0.00 -0.96 -4.94 105.19 107.17 1wuz n GLY 16 Ca 0.25 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.90 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 4.21 0.34 2.61 2.01 -0.45 -4.69 115.64 117.67 1wuz s THR 17 Ca 0.00 1.84 -0.29 0.00 0.31 0.00 0.00 61.69 63.55 1wuz s THR 17 Cb 0.00 -4.06 -0.11 0.00 0.01 0.00 0.00 72.50 68.34 1wuz s THR 17 CO 0.00 0.22 1.42 0.12 -0.69 0.00 0.00 174.62 175.70 1wuz s PHE 18 N -1.52 2.80 0.00 4.92 5.36 -1.26 -1.57 117.98 126.72 1wuz s PHE 18 Ca 0.48 1.22 0.00 0.00 -0.96 0.00 0.00 56.93 57.67 1wuz s PHE 18 Cb -0.20 -3.88 0.00 0.00 -0.34 0.00 0.00 43.02 38.60 1wuz s PHE 18 CO 0.25 -2.59 0.00 0.28 -1.46 0.00 0.00 175.22 171.70 1wuz n VAL 19 N 0.86 0.00 0.00 3.12 0.31 -0.28 -4.78 118.33 117.57 1wuz n VAL 19 Ca 0.02 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.35 1wuz n VAL 19 Cb 0.40 -0.81 0.00 0.00 -0.91 0.00 0.00 33.84 32.53 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 2.67 0.21 3.31 2.92 0.00 -1.25 -1.98 105.19 111.08 1wuz n GLY 20 Ca 0.00 -0.97 -0.44 0.00 0.00 0.00 0.00 46.02 44.61 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 -0.28 3.61 -0.24 1.61 3.00 -1.26 -1.34 116.66 121.75 1wuz n ARG 21 Ca 0.00 -4.23 0.04 0.00 -0.01 0.00 0.00 57.85 53.65 1wuz n ARG 21 Cb 0.00 -2.72 0.17 0.00 0.00 0.00 0.00 32.46 29.91 1wuz n ARG 21 CO 0.00 0.00 0.00 0.97 0.00 0.00 0.00 177.63 178.60 1wuz h ILE 22 N 3.92 0.61 0.11 0.55 2.10 -1.92 0.22 117.51 123.10 1wuz h ILE 22 Ca 0.24 -0.12 -0.01 0.00 1.08 0.00 0.00 64.86 66.05 1wuz h ILE 22 Cb 0.83 0.23 0.00 0.00 -1.09 0.00 0.00 36.82 36.79 1wuz h ILE 22 CO 1.16 0.06 -0.05 0.00 -1.08 0.00 0.00 178.15 178.25 1wuz h ALA 23 N 1.55 -0.14 -0.96 0.18 0.00 -1.89 0.41 119.26 118.41 1wuz h ALA 23 Ca 0.39 -0.18 0.12 0.00 0.00 0.00 0.00 54.91 55.24 1wuz h ALA 23 Cb 0.61 0.05 -0.08 0.00 0.00 0.00 0.00 17.79 18.38 1wuz h ALA 23 CO -0.43 -0.40 0.59 0.37 0.00 0.00 0.00 179.25 179.38 1wuz h GLN 24 N -0.50 0.90 -0.00 0.00 4.15 -1.66 0.29 115.11 118.29 1wuz h GLN 24 Ca -0.01 -0.05 -0.16 0.00 0.77 0.00 0.00 58.65 59.19 1wuz h GLN 24 Cb 0.41 -0.20 -0.02 0.00 0.21 0.00 0.00 27.48 27.88 1wuz h GLN 24 CO 0.02 0.60 -0.77 -0.44 -1.93 0.00 0.00 178.83 176.32 1wuz h ASP 25 N 0.93 0.02 -0.13 -0.69 3.32 -0.54 -3.23 116.42 116.11 1wuz h ASP 25 Ca 0.48 -0.02 -0.22 0.00 0.02 0.00 0.00 57.03 57.30 1wuz h ASP 25 Cb 0.48 -0.01 0.01 0.00 0.22 0.00 0.00 39.33 40.03 1wuz h ASP 25 CO -0.27 0.78 -0.74 -0.07 -1.72 0.00 0.00 179.24 177.22 1wuz h LEU 26 N 0.01 0.91 -0.83 1.55 4.07 0.88 -3.45 115.31 118.45 1wuz h LEU 26 Ca -0.01 -0.58 0.00 0.00 0.08 0.00 0.00 57.88 57.37 1wuz h LEU 26 Cb 1.35 -0.27 0.00 0.00 1.08 0.00 0.00 40.66 42.82 1wuz h LEU 26 CO 0.10 1.38 0.00 0.61 -1.08 0.00 0.00 178.44 179.45 1wuz n GLY 27 N 0.64 0.67 3.50 0.83 0.00 0.86 -4.09 105.19 107.60 1wuz n GLY 27 Ca -0.07 -0.29 -0.25 0.00 0.00 0.00 0.00 46.02 45.41 1wuz n GLY 27 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1wuz s LEU 28 N -0.83 2.01 0.07 0.99 1.43 -1.22 -5.04 118.68 116.09 1wuz s LEU 28 Ca 0.00 -1.62 -0.09 0.00 -1.03 0.00 0.00 54.13 51.39 1wuz s LEU 28 Cb 0.00 -0.15 -0.06 0.00 0.03 0.00 0.00 46.19 46.01 1wuz s LEU 28 CO 0.00 -0.88 0.37 -1.61 0.23 0.00 0.00 176.35 174.46 1wuz s GLU 29 N -3.75 3.71 0.19 1.70 8.01 -1.26 -4.81 118.70 122.48 1wuz s GLU 29 Ca 0.26 0.10 -0.07 0.00 0.01 0.00 0.00 54.97 55.26 1wuz s GLU 29 Cb 0.04 -3.00 0.10 0.00 -4.31 0.00 0.00 34.13 26.95 1wuz s GLU 29 CO 0.14 0.57 1.59 -0.07 0.01 0.00 0.00 175.26 177.51 1wuz h LEU 30 N 3.70 0.92 -0.46 1.80 -0.00 -1.97 -2.45 115.31 116.84 1wuz h LEU 30 Ca -0.49 -0.33 0.00 0.00 -0.00 0.00 0.00 57.88 57.06 1wuz h LEU 30 Cb 1.19 -0.25 0.00 0.00 -0.00 0.00 0.00 40.66 41.60 1wuz h LEU 30 CO 0.67 1.09 0.00 0.41 -0.00 0.00 0.00 178.44 180.61 1wuz n THR 31 N -4.11 0.07 0.79 0.22 -1.04 -1.26 -3.20 114.28 105.75 1wuz n THR 31 Ca 0.00 -0.14 0.08 0.00 -2.04 0.00 0.00 64.05 61.95 1wuz n THR 31 Cb 0.44 -0.02 -0.08 0.00 -1.82 0.00 0.00 70.33 68.85 1wuz n THR 31 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 1wuz n GLU 32 N -0.35 1.49 -0.12 -2.82 4.71 -0.94 -4.42 120.64 118.19 1wuz n GLU 32 Ca 0.16 -0.10 -0.09 0.00 -0.01 0.00 0.00 57.16 57.13 1wuz n GLU 32 Cb 0.19 -1.29 0.05 0.00 -1.01 0.00 0.00 31.44 29.37 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 0.22 0.90 0.21 -4.62 3.38 -1.49 -2.09 115.31 111.83 1wuz h LEU 33 Ca 0.00 -0.33 0.01 0.00 0.09 0.00 0.00 57.88 57.65 1wuz h LEU 33 Cb 0.42 -0.25 -0.04 0.00 0.09 0.00 0.00 40.66 40.88 1wuz h LEU 33 CO 0.00 1.08 -0.46 0.58 0.09 0.00 0.00 178.44 179.73 1wuz h VAL 34 N 0.77 0.09 0.00 1.22 2.07 -1.78 -1.36 116.25 117.25 1wuz h VAL 34 Ca 0.10 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.62 1wuz h VAL 34 Cb 0.76 0.09 0.00 0.00 -1.52 0.00 0.00 31.29 30.62 1wuz h VAL 34 CO 0.06 0.00 0.00 1.55 0.02 0.00 0.00 177.57 179.20 1wuz h PRO 35 N -0.76 0.00 -0.13 1.57 0.13 -1.82 -2.30 132.00 128.68 1wuz h PRO 35 Ca -0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 1wuz h PRO 35 Cb 0.74 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.87 1wuz h PRO 35 CO -0.21 0.00 0.00 0.54 -0.23 0.00 0.00 178.00 178.10 1wuz n ARG 36 N -2.42 1.70 -3.90 0.86 3.00 -0.58 -4.85 116.66 110.47 1wuz n ARG 36 Ca 0.02 -1.05 -0.32 0.00 -0.01 0.00 0.00 57.85 56.49 1wuz n ARG 36 Cb 0.24 -1.41 0.01 0.00 0.00 0.00 0.00 32.46 31.30 1wuz n ARG 36 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.63 178.91 1wuz n LEU 37 N 0.27 -2.03 -4.77 0.55 7.99 -0.78 -1.43 117.00 116.81 1wuz n LEU 37 Ca 0.17 -1.08 -0.40 0.00 -0.01 0.00 0.00 56.01 54.69 1wuz n LEU 37 Cb 0.33 -2.14 -0.00 0.00 -0.11 0.00 0.00 43.42 41.50 1wuz n LEU 37 CO 0.14 0.52 1.00 0.12 -1.51 0.00 0.00 177.39 177.66 1wuz s PHE 38 N -3.73 2.77 -0.04 -1.77 5.36 -1.06 -2.50 117.98 117.02 1wuz s PHE 38 Ca 0.27 1.36 -0.24 0.00 -0.96 0.00 0.00 56.93 57.36 1wuz s PHE 38 Cb -0.11 -3.75 0.05 0.00 -0.34 0.00 0.00 43.02 38.87 1wuz s PHE 38 CO 0.90 -2.29 0.52 0.50 -1.46 0.00 0.00 175.22 173.39 1wuz s ARG 39 N -2.18 0.89 -0.01 10.12 6.06 0.69 -4.98 118.95 129.54 1wuz s ARG 39 Ca 0.56 0.07 0.05 0.00 -2.50 0.00 0.00 55.73 53.91 1wuz s ARG 39 Cb -0.40 0.41 -0.01 0.00 0.06 0.00 0.00 34.95 35.00 1wuz s ARG 39 CO 0.52 -0.26 -0.17 0.08 -2.50 0.00 0.00 175.30 172.97 1wuz s VAL 40 N -1.23 1.34 0.21 7.11 1.01 -1.26 -0.34 120.40 127.24 1wuz s VAL 40 Ca -0.12 -0.76 -0.21 0.00 0.00 0.00 0.00 61.98 60.89 1wuz s VAL 40 Cb -0.02 -1.12 0.07 0.00 0.00 0.00 0.00 36.38 35.31 1wuz s VAL 40 CO 0.07 0.35 1.01 0.00 0.00 0.00 0.00 175.10 176.54 1wuz s ALA 41 N -0.44 -1.49 0.09 5.51 0.00 -0.92 -4.90 121.76 119.61 1wuz s ALA 41 Ca 0.06 -0.43 -0.16 0.00 0.00 0.00 0.00 51.96 51.43 1wuz s ALA 41 Cb -0.07 0.77 0.03 0.00 0.00 0.00 0.00 23.12 23.85 1wuz s ALA 41 CO -0.00 -1.06 0.38 -1.54 0.00 0.00 0.00 175.76 173.54 1wuz s SER 42 N -3.42 -0.21 0.29 0.00 1.04 -1.26 -1.74 113.70 108.40 1wuz s SER 42 Ca 0.22 -0.23 0.20 0.00 0.48 0.00 0.00 55.95 56.62 1wuz s SER 42 Cb -0.03 0.43 0.12 0.00 0.10 0.00 0.00 66.02 66.65 1wuz s SER 42 CO 0.06 -0.76 1.32 0.11 0.98 0.00 0.00 173.24 174.96 1wuz h LYS 43 N 2.69 0.00 0.00 4.02 1.79 -1.95 -3.16 116.57 119.96 1wuz h LYS 43 Ca -0.33 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.14 1wuz h LYS 43 Cb 1.23 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.88 1wuz h LYS 43 CO 0.46 0.17 0.00 -0.25 -1.08 0.00 0.00 179.45 178.75 1wuz n ASP 44 N -3.00 0.00 0.00 0.86 9.92 -1.26 -4.77 116.55 118.29 1wuz n ASP 44 Ca 0.01 0.34 0.00 0.00 -0.53 0.00 0.00 54.79 54.60 1wuz n ASP 44 Cb 0.63 -0.10 0.00 0.00 -0.64 0.00 0.00 41.12 41.01 1wuz n ASP 44 CO 0.00 0.00 0.00 0.54 0.13 0.00 0.00 177.20 177.87 1wuz n ARG 45 N -0.81 1.47 -0.93 -1.24 1.74 -1.26 -5.00 116.66 110.63 1wuz n ARG 45 Ca 0.00 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.08 1wuz n ARG 45 Cb 0.00 -0.88 0.00 0.00 -1.02 0.00 0.00 32.46 30.56 1wuz n ARG 45 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1wuz n GLY 46 N 2.12 0.40 2.29 -0.13 0.00 -1.19 -4.89 105.19 103.79 1wuz n GLY 46 Ca 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.80 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 -0.26 1.22 -0.04 1.61 8.00 -1.26 -4.41 116.55 121.40 1wuz n ASP 47 Ca 0.00 -2.99 -0.08 0.00 0.71 0.00 0.00 54.79 52.43 1wuz n ASP 47 Cb 0.13 -0.63 -0.04 0.00 -0.02 0.00 0.00 41.12 40.57 1wuz n ASP 47 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 1wuz n LEU 48 N 0.73 1.97 -3.61 0.64 4.32 -1.24 -4.42 117.00 115.39 1wuz n LEU 48 Ca 0.25 0.02 -0.11 0.00 -0.02 0.00 0.00 56.01 56.15 1wuz n LEU 48 Cb 0.56 -0.29 -0.03 0.00 -1.62 0.00 0.00 43.42 42.03 1wuz n LEU 48 CO 0.23 0.45 0.28 -0.76 -1.22 0.00 0.00 177.39 176.37 1wuz s LEU 49 N -5.94 -0.03 -0.02 2.23 1.02 -1.26 -2.01 118.68 112.67 1wuz s LEU 49 Ca -0.12 -0.28 -0.15 0.00 0.02 0.00 0.00 54.13 53.59 1wuz s LEU 49 Cb 0.04 2.20 0.03 0.00 0.02 0.00 0.00 46.19 48.48 1wuz s LEU 49 CO 0.18 -0.97 0.33 -1.61 0.02 0.00 0.00 176.35 174.31 1wuz s GLU 50 N -3.81 0.68 0.06 1.70 2.02 -1.08 -4.75 118.70 113.52 1wuz s GLU 50 Ca 0.05 -0.14 -0.10 0.00 0.02 0.00 0.00 54.97 54.79 1wuz s GLU 50 Cb -0.00 0.30 -0.06 0.00 0.10 0.00 0.00 34.13 34.47 1wuz s GLU 50 CO -0.09 -0.18 0.39 0.54 0.02 0.00 0.00 175.26 175.93 1wuz s VAL 51 N -1.26 5.11 -0.28 2.63 0.11 -1.26 -1.84 120.40 123.61 1wuz s VAL 51 Ca -0.13 0.47 -0.09 0.00 -2.93 0.00 0.00 61.98 59.29 1wuz s VAL 51 Cb -0.05 -3.64 -0.03 0.00 -1.53 0.00 0.00 36.38 31.13 1wuz s VAL 51 CO 0.04 0.33 0.14 0.21 -3.33 0.00 0.00 175.10 172.50 1wuz s ASN 52 N -1.67 5.57 0.29 3.54 3.04 0.44 -4.95 114.94 121.21 1wuz s ASN 52 Ca 0.31 -0.27 0.22 0.00 0.04 0.00 0.00 52.86 53.16 1wuz s ASN 52 Cb -0.14 -2.02 1.08 0.00 -1.54 0.00 0.00 41.25 38.64 1wuz s ASN 52 CO 0.17 -0.10 1.66 0.18 -3.04 0.00 0.00 177.10 175.97 1wuz n LEU 53 N 4.99 0.58 -0.10 3.21 4.77 -1.26 0.01 117.00 129.21 1wuz n LEU 53 Ca -0.15 0.72 -0.06 0.00 -0.03 0.00 0.00 56.01 56.50 1wuz n LEU 53 Cb 0.51 -0.74 0.01 0.00 -2.33 0.00 0.00 43.42 40.86 1wuz n LEU 53 CO 0.33 -0.81 0.75 1.56 -1.33 0.00 0.00 177.39 177.89 1wuz h GLN 54 N 0.00 -0.08 0.00 3.23 1.08 -1.94 -3.33 115.11 114.07 1wuz h GLN 54 Ca 0.00 0.01 -0.01 0.00 -1.45 0.00 0.00 58.65 57.20 1wuz h GLN 54 Cb 0.12 0.02 -0.01 0.00 -0.05 0.00 0.00 27.48 27.56 1wuz h GLN 54 CO 0.00 -0.05 -0.44 -1.71 -0.95 0.00 0.00 178.83 175.67 1wuz n ASN 55 N -5.34 0.03 -1.88 1.46 2.85 -1.12 -4.99 115.26 106.27 1wuz n ASN 55 Ca 0.01 -1.85 -0.19 0.00 -0.11 0.00 0.00 54.58 52.44 1wuz n ASN 55 Cb 0.25 -0.17 -0.04 0.00 1.24 0.00 0.00 39.78 41.05 1wuz n ASN 55 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1wuz n GLY 56 N 0.02 0.65 3.87 8.20 0.00 0.10 -4.97 105.19 113.05 1wuz n GLY 56 Ca 0.00 -0.07 -0.33 0.00 0.00 0.00 0.00 46.02 45.62 1wuz n GLY 56 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 1wuz s ILE 57 N -2.85 4.93 -0.29 -0.61 1.10 -1.12 -3.48 121.20 118.88 1wuz s ILE 57 Ca 0.00 0.55 -0.15 0.00 -0.51 0.00 0.00 60.65 60.54 1wuz s ILE 57 Cb 0.00 -3.65 -0.03 0.00 0.15 0.00 0.00 42.46 38.93 1wuz s ILE 57 CO 0.00 0.05 0.38 -0.22 -2.11 0.00 0.00 174.94 173.04 1wuz s LEU 58 N -2.50 4.15 0.17 8.50 1.98 -0.45 -0.42 118.68 130.11 1wuz s LEU 58 Ca 0.43 0.14 0.07 0.00 -2.89 0.00 0.00 54.13 51.88 1wuz s LEU 58 Cb -0.12 -2.41 -0.04 0.00 0.66 0.00 0.00 46.19 44.27 1wuz s LEU 58 CO 0.20 -0.24 0.03 0.72 -1.89 0.00 0.00 176.35 175.18 1wuz s PHE 59 N 2.08 2.92 0.42 5.38 -0.12 -0.76 -1.12 117.98 126.77 1wuz s PHE 59 Ca 0.14 -0.11 -0.24 0.00 -0.05 0.00 0.00 56.93 56.68 1wuz s PHE 59 Cb -0.16 -1.41 -0.09 0.00 -0.63 0.00 0.00 43.02 40.73 1wuz s PHE 59 CO 0.11 0.52 1.09 0.08 -0.05 0.00 0.00 175.22 176.96 1wuz s VAL 60 N -1.73 3.53 -0.33 -2.49 1.01 -0.61 -2.63 120.40 117.16 1wuz s VAL 60 Ca 0.28 1.17 0.16 0.00 0.00 0.00 0.00 61.98 63.59 1wuz s VAL 60 Cb -0.09 -3.60 0.45 0.00 0.00 0.00 0.00 36.38 33.13 1wuz s VAL 60 CO 0.20 -0.00 1.10 -3.20 0.00 0.00 0.00 175.10 173.20 1wuz n ASN 61 N -0.19 0.49 -3.51 3.32 5.15 -0.85 -2.26 115.26 117.41 1wuz n ASN 61 Ca 0.06 -2.53 -0.03 0.00 -0.60 0.00 0.00 54.58 51.47 1wuz n ASN 61 Cb 0.49 -0.08 0.01 0.00 -0.53 0.00 0.00 39.78 39.66 1wuz n ASN 61 CO 0.00 0.00 0.00 -0.55 1.40 0.00 0.00 177.26 178.11 1wuz s SER 62 N -2.64 -0.06 -0.97 1.20 0.15 -1.17 -3.65 113.70 106.57 1wuz s SER 62 Ca 0.25 -0.55 -0.19 0.00 0.70 0.00 0.00 55.95 56.16 1wuz s SER 62 Cb 0.43 0.47 0.12 0.00 -1.71 0.00 0.00 66.02 65.32 1wuz s SER 62 CO -0.01 -0.91 1.22 -0.13 1.20 0.00 0.00 173.24 174.61 1wuz s ARG 63 N -2.54 3.63 0.38 5.44 1.81 -1.26 -4.72 118.95 121.69 1wuz s ARG 63 Ca 0.18 -1.69 0.28 0.00 -1.72 0.00 0.00 55.73 52.78 1wuz s ARG 63 Cb -0.02 -5.02 1.08 0.00 -0.45 0.00 0.00 34.95 30.54 1wuz s ARG 63 CO 0.04 -1.86 1.82 0.82 -0.68 0.00 0.00 175.30 175.43 1wuz h ILE 64 N 5.94 0.00 -1.28 1.52 1.08 -1.97 -2.71 117.51 120.09 1wuz h ILE 64 Ca 0.18 -0.40 -0.70 0.00 -0.39 0.00 0.00 64.86 63.54 1wuz h ILE 64 Cb 1.01 1.28 0.08 0.00 -3.07 0.00 0.00 36.82 36.12 1wuz h ILE 64 CO 1.18 0.00 -0.11 -0.67 -0.69 0.00 0.00 178.15 177.86 1wuz n ASP 65 N -2.61 -0.12 0.21 1.72 -0.08 -1.26 -4.23 116.55 110.18 1wuz n ASP 65 Ca 0.02 1.14 0.18 0.00 -1.51 0.00 0.00 54.79 54.63 1wuz n ASP 65 Cb 0.29 -1.02 0.82 0.00 2.34 0.00 0.00 41.12 43.56 1wuz n ASP 65 CO 0.00 0.00 0.00 0.03 0.12 0.00 0.00 177.20 177.35 1wuz h ARG 66 N 2.28 0.00 -0.03 -0.67 3.08 -1.92 0.48 114.38 117.59 1wuz h ARG 66 Ca -0.40 0.00 -0.17 0.00 0.07 0.00 0.00 59.98 59.48 1wuz h ARG 66 Cb 1.41 0.00 0.01 0.00 0.08 0.00 0.00 29.97 31.47 1wuz h ARG 66 CO 0.63 0.00 -0.64 0.93 -1.07 0.00 0.00 179.97 179.82 1wuz h GLU 67 N 0.00 0.49 0.00 0.04 3.07 -1.86 0.37 114.58 116.69 1wuz h GLU 67 Ca 0.10 -0.48 -0.02 0.00 -0.50 0.00 0.00 59.36 58.46 1wuz h GLU 67 Cb 0.73 0.13 -0.00 0.00 -0.84 0.00 0.00 28.75 28.76 1wuz h GLU 67 CO -0.00 1.12 -0.22 0.93 -1.40 0.00 0.00 179.01 179.44 1wuz h GLU 68 N 0.03 0.00 0.00 2.33 3.07 -1.28 -3.41 114.58 115.32 1wuz h GLU 68 Ca -0.07 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.79 1wuz h GLU 68 Cb 1.32 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.23 1wuz h GLU 68 CO 0.13 0.22 0.00 -0.11 -1.40 0.00 0.00 179.01 177.85 1wuz n LEU 69 N -4.69 0.00 0.09 1.33 7.94 0.15 -4.92 117.00 116.90 1wuz n LEU 69 Ca -0.06 0.84 0.00 0.00 -1.11 0.00 0.00 56.01 55.69 1wuz n LEU 69 Cb 0.19 -0.34 0.00 0.00 0.53 0.00 0.00 43.42 43.79 1wuz n LEU 69 CO 0.09 -0.34 0.00 0.00 -1.11 0.00 0.00 177.39 176.03 1wuz n GLY 71 N -1.43 1.26 0.00 0.00 0.00 0.13 -4.62 105.19 100.53 1wuz n GLY 71 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 46.02 46.00 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 0.00 -1.46 1.61 1.74 -1.26 -4.36 116.66 112.92 1wuz n ARG 72 Ca 0.00 0.50 -0.49 0.00 -0.77 0.00 0.00 57.85 57.08 1wuz n ARG 72 Cb 0.00 -1.25 -0.07 0.00 -1.02 0.00 0.00 32.46 30.12 1wuz n ARG 72 CO 0.00 0.00 0.00 0.43 -1.52 0.00 0.00 177.63 176.54 1wuz n SER 73 N -1.63 2.25 -0.28 0.55 7.64 -1.26 -4.79 113.62 116.09 1wuz n SER 73 Ca 0.00 0.37 0.20 0.00 1.01 0.00 0.00 58.87 60.45 1wuz n SER 73 Cb 0.00 -1.30 0.50 0.00 -1.01 0.00 0.00 64.21 62.40 1wuz n SER 73 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1wuz h ALA 74 N 12.84 2.18 -3.80 -0.43 0.00 -1.98 -3.34 119.26 124.73 1wuz h ALA 74 Ca -0.28 0.04 -0.67 0.00 0.00 0.00 0.00 54.91 53.99 1wuz h ALA 74 Cb 1.31 -0.01 -0.36 0.00 0.00 0.00 0.00 17.79 18.72 1wuz h ALA 74 CO 1.02 -0.51 -0.78 -1.83 0.00 0.00 0.00 179.25 177.14 1wuz s GLU 75 N -5.48 2.28 -0.18 0.00 1.03 -1.26 -4.78 118.70 110.31 1wuz s GLU 75 Ca -0.09 -1.33 -0.03 0.00 0.03 0.00 0.00 54.97 53.56 1wuz s GLU 75 Cb 0.24 -2.94 -0.02 0.00 -0.80 0.00 0.00 34.13 30.61 1wuz s GLU 75 CO 0.79 -0.58 -0.06 0.00 -1.33 0.00 0.00 175.26 174.08 1wuz s SER 77 N 0.86 5.93 -0.01 0.00 0.01 -1.26 -2.51 113.70 116.72 1wuz s SER 77 Ca -0.02 0.11 0.03 0.00 1.31 0.00 0.00 55.95 57.38 1wuz s SER 77 Cb -0.15 -1.71 -0.01 0.00 0.21 0.00 0.00 66.02 64.37 1wuz s SER 77 CO 0.01 0.15 -0.09 -0.63 0.41 0.00 0.00 173.24 173.09 1wuz s ILE 78 N -1.50 0.69 -0.02 1.44 1.09 -0.60 -5.02 121.20 117.28 1wuz s ILE 78 Ca 0.32 -0.37 0.05 0.00 -1.10 0.00 0.00 60.65 59.55 1wuz s ILE 78 Cb -0.12 -0.58 -0.03 0.00 -1.06 0.00 0.00 42.46 40.67 1wuz s ILE 78 CO 0.25 0.20 -0.16 -1.00 -0.10 0.00 0.00 174.94 174.13 1wuz s HIS 79 N -0.16 2.65 0.05 3.97 3.76 -1.26 -1.87 115.29 122.42 1wuz s HIS 79 Ca 0.03 -0.20 -0.06 0.00 -0.15 0.00 0.00 55.06 54.68 1wuz s HIS 79 Cb -0.04 -1.57 -0.01 0.00 1.11 0.00 0.00 32.58 32.07 1wuz s HIS 79 CO -0.00 0.20 0.10 -1.17 -0.85 0.00 0.00 174.74 173.02 1wuz s LEU 80 N -0.97 1.80 -0.11 0.89 0.20 0.73 -4.88 118.68 116.33 1wuz s LEU 80 Ca 0.13 -0.60 -0.01 0.00 0.69 0.00 0.00 54.13 54.34 1wuz s LEU 80 Cb -0.11 0.64 0.03 0.00 -0.43 0.00 0.00 46.19 46.32 1wuz s LEU 80 CO 0.02 -0.56 -0.06 -1.61 -0.29 0.00 0.00 176.35 173.86 1wuz s GLU 81 N -2.95 1.36 -0.46 1.98 2.02 -0.71 -1.95 118.70 117.98 1wuz s GLU 81 Ca -0.02 -0.23 -0.21 0.00 0.02 0.00 0.00 54.97 54.53 1wuz s GLU 81 Cb 0.01 -1.56 0.03 0.00 0.10 0.00 0.00 34.13 32.71 1wuz s GLU 81 CO -0.06 -0.30 0.68 0.08 0.02 0.00 0.00 175.26 175.68 1wuz s VAL 82 N 1.74 4.78 -0.23 2.63 1.01 -1.08 -2.17 120.40 127.08 1wuz s VAL 82 Ca 0.04 0.04 -0.26 0.00 0.00 0.00 0.00 61.98 61.80 1wuz s VAL 82 Cb -0.13 -4.27 0.00 0.00 0.00 0.00 0.00 36.38 31.98 1wuz s VAL 82 CO -0.08 -0.70 0.91 -0.63 0.00 0.00 0.00 175.10 174.61 1wuz s ILE 83 N 2.93 4.78 -0.01 2.22 1.09 0.54 -2.16 121.20 130.59 1wuz s ILE 83 Ca 0.23 1.75 0.07 0.00 -1.10 0.00 0.00 60.65 61.60 1wuz s ILE 83 Cb -0.15 -4.19 -0.02 0.00 -1.06 0.00 0.00 42.46 37.04 1wuz s ILE 83 CO 0.18 -0.11 -0.22 0.68 -0.10 0.00 0.00 174.94 175.38 1wuz s VAL 84 N 2.92 1.71 -0.25 2.92 -7.23 -0.88 -0.22 120.40 119.37 1wuz s VAL 84 Ca 0.39 -0.97 -0.02 0.00 -1.81 0.00 0.00 61.98 59.57 1wuz s VAL 84 Cb -0.15 -1.43 0.02 0.00 0.56 0.00 0.00 36.38 35.38 1wuz s VAL 84 CO 0.07 0.44 -0.05 -0.62 -0.31 0.00 0.00 175.10 174.64 1wuz s ASP 85 N -0.61 4.34 -0.26 4.85 2.15 -0.51 -2.40 116.67 124.22 1wuz s ASP 85 Ca 0.08 -0.79 -0.08 0.00 0.43 0.00 0.00 52.55 52.20 1wuz s ASP 85 Cb -0.08 -1.69 0.01 0.00 -0.30 0.00 0.00 42.92 40.86 1wuz s ASP 85 CO -0.00 -0.11 0.31 0.54 -0.17 0.00 0.00 175.17 175.73 1wuz n ARG 86 N 4.70 -1.71 -1.71 4.34 3.00 -1.26 -3.37 116.66 120.65 1wuz n ARG 86 Ca -0.17 1.66 -0.33 0.00 -0.01 0.00 0.00 57.85 59.00 1wuz n ARG 86 Cb 0.48 -4.16 0.05 0.00 0.00 0.00 0.00 32.46 28.83 1wuz n ARG 86 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.63 176.38 1wuz s PRO 87 N -1.85 2.75 -0.43 5.56 0.04 -1.26 -4.27 135.00 135.55 1wuz s PRO 87 Ca 0.13 1.37 -0.18 0.00 0.04 0.00 0.00 61.00 62.35 1wuz s PRO 87 Cb -0.04 -1.94 0.02 0.00 0.04 0.00 0.00 34.50 32.58 1wuz s PRO 87 CO 0.50 -1.29 0.51 -1.17 0.04 0.00 0.00 177.00 175.59 1wuz s LEU 88 N -4.97 4.74 0.00 -3.56 2.96 -1.26 -4.67 118.68 111.92 1wuz s LEU 88 Ca 0.66 -0.56 -0.10 0.00 -0.22 0.00 0.00 54.13 53.91 1wuz s LEU 88 Cb -0.20 -2.50 0.03 0.00 0.50 0.00 0.00 46.19 44.02 1wuz s LEU 88 CO 0.43 -0.65 0.46 0.00 -1.32 0.00 0.00 176.35 175.27 1wuz n GLN 89 N 5.82 0.10 -4.21 1.98 10.64 -1.01 -5.03 117.38 125.67 1wuz n GLN 89 Ca -0.05 -0.33 -0.19 0.00 -1.83 0.00 0.00 57.00 54.59 1wuz n GLN 89 Cb 0.48 0.52 -0.12 0.00 -0.86 0.00 0.00 30.24 30.26 1wuz n GLN 89 CO 0.00 0.00 0.00 0.08 -1.83 0.00 0.00 177.06 175.31 1wuz s VAL 90 N -2.15 1.28 -0.19 -0.39 1.01 -1.26 -2.07 120.40 116.64 1wuz s VAL 90 Ca 0.11 -1.45 -0.03 0.00 0.00 0.00 0.00 61.98 60.61 1wuz s VAL 90 Cb -0.00 -1.28 -0.01 0.00 0.00 0.00 0.00 36.38 35.09 1wuz s VAL 90 CO 0.00 -0.24 -0.08 -0.36 0.00 0.00 0.00 175.10 174.43 1wuz s PHE 91 N -1.46 2.91 -0.24 5.22 0.08 -0.92 -4.92 117.98 118.66 1wuz s PHE 91 Ca 0.02 -0.87 -0.29 0.00 0.12 0.00 0.00 56.93 55.91 1wuz s PHE 91 Cb -0.09 -2.02 -0.03 0.00 -0.57 0.00 0.00 43.02 40.32 1wuz s PHE 91 CO 0.03 -0.45 1.66 -1.58 -0.10 0.00 0.00 175.22 174.78 1wuz s HIS 92 N 1.11 2.02 -0.10 0.36 2.46 -0.29 -2.64 115.29 118.21 1wuz s HIS 92 Ca 0.01 0.54 0.04 0.00 0.47 0.00 0.00 55.06 56.12 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 -0.01 -2.99 -0.24 0.08 -2.47 0.00 0.00 174.74 169.11 1wuz s VAL 93 N 5.55 2.08 -0.16 0.89 1.01 -0.82 -0.95 120.40 127.99 1wuz s VAL 93 Ca 0.74 -1.01 -0.03 0.00 0.00 0.00 0.00 61.98 61.68 1wuz s VAL 93 Cb -0.25 -1.80 0.05 0.00 0.00 0.00 0.00 36.38 34.39 1wuz s VAL 93 CO 0.30 0.56 0.04 -1.61 0.00 0.00 0.00 175.10 174.39 1wuz s GLU 94 N 0.39 0.52 -0.15 2.72 2.02 -0.27 -0.19 118.70 123.73 1wuz s GLU 94 Ca -0.18 -0.24 -0.04 0.00 0.02 0.00 0.00 54.97 54.53 1wuz s GLU 94 Cb -0.18 -1.82 -0.03 0.00 0.10 0.00 0.00 34.13 32.21 1wuz s GLU 94 CO 0.08 -0.58 -0.03 0.14 0.02 0.00 0.00 175.26 174.89 1wuz s VAL 95 N 1.94 3.97 0.17 2.63 -7.23 -0.78 -1.28 120.40 119.81 1wuz s VAL 95 Ca 0.01 -0.33 0.06 0.00 -1.81 0.00 0.00 61.98 59.91 1wuz s VAL 95 Cb -0.16 -2.74 -0.04 0.00 0.56 0.00 0.00 36.38 34.00 1wuz s VAL 95 CO -0.08 0.49 0.09 -1.61 -0.31 0.00 0.00 175.10 173.68 1wuz s GLU 96 N 0.32 2.72 -0.17 4.82 0.41 -1.11 -1.56 118.70 124.13 1wuz s GLU 96 Ca -0.03 -0.95 -0.14 0.00 -0.41 0.00 0.00 54.97 53.44 1wuz s GLU 96 Cb -0.14 -2.54 -0.05 0.00 -1.78 0.00 0.00 34.13 29.62 1wuz s GLU 96 CO 0.03 0.48 0.31 0.14 -0.49 0.00 0.00 175.26 175.72 1wuz s VAL 97 N -1.73 5.29 -0.32 2.63 -7.23 -1.05 -2.56 120.40 115.42 1wuz s VAL 97 Ca 0.30 0.56 -0.09 0.00 -1.81 0.00 0.00 61.98 60.93 1wuz s VAL 97 Cb -0.10 -3.64 0.01 0.00 0.56 0.00 0.00 36.38 33.21 1wuz s VAL 97 CO 0.22 0.36 0.14 -0.60 -0.31 0.00 0.00 175.10 174.91 1wuz s ARG 98 N 0.67 3.10 0.00 4.82 3.52 -1.04 -4.60 118.95 125.42 1wuz s ARG 98 Ca 0.16 -0.87 0.00 0.00 -0.13 0.00 0.00 55.73 54.89 1wuz s ARG 98 Cb -0.13 -3.55 0.00 0.00 -1.56 0.00 0.00 34.95 29.71 1wuz s ARG 98 CO 0.05 -0.51 0.00 -3.47 -0.81 0.00 0.00 175.30 170.56 1wuz n ASP 99 N 4.95 0.00 -4.19 -2.12 2.03 -1.26 -2.20 116.55 113.76 1wuz n ASP 99 Ca -0.13 0.00 -0.14 0.00 0.52 0.00 0.00 54.79 55.04 1wuz n ASP 99 Cb 0.48 0.00 -0.11 0.00 -0.72 0.00 0.00 41.12 40.77 1wuz n ASP 99 CO 0.00 0.00 0.00 0.27 -1.92 0.00 0.00 177.20 175.55 1wuz s ILE 100 N -3.00 0.95 -0.02 5.18 -0.00 -1.26 -4.98 121.20 118.06 1wuz s ILE 100 Ca 0.00 -1.75 0.12 0.00 -0.00 0.00 0.00 60.65 59.01 1wuz s ILE 100 Cb 0.00 -1.49 -0.15 0.00 -0.00 0.00 0.00 42.46 40.83 1wuz s ILE 100 CO 0.00 -0.64 1.07 -1.13 -0.00 0.00 0.00 174.94 174.25 1wuz h ASN 101 N 3.34 0.00 -0.38 4.36 -1.24 -1.89 -3.29 115.58 116.47 1wuz h ASN 101 Ca -0.37 0.00 0.11 0.00 0.71 0.00 0.00 56.30 56.75 1wuz h ASN 101 Cb 1.19 0.00 -0.02 0.00 0.73 0.00 0.00 38.32 40.22 1wuz h ASN 101 CO 0.56 0.82 0.28 0.44 -1.29 0.00 0.00 177.43 178.25 1wuz h ASP 102 N 0.00 0.00 0.00 1.15 3.32 -1.97 -3.52 116.42 115.40 1wuz h ASP 102 Ca -0.11 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.94 1wuz h ASP 102 Cb 1.72 0.00 0.00 0.00 0.22 0.00 0.00 39.33 41.27 1wuz h ASP 102 CO 0.09 0.00 0.00 -0.46 -1.72 0.00 0.00 179.24 177.15