#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 5.24 -0.08 1.61 -0.87 -1.26 -4.91 114.94 114.68 1wuz s ASN 2 Ca 0.00 -0.91 0.06 0.00 -1.57 0.00 0.00 52.86 50.44 1wuz s ASN 2 Cb 0.00 -1.89 -0.09 0.00 -0.02 0.00 0.00 41.25 39.26 1wuz s ASN 2 CO 0.00 -0.26 0.01 -0.24 -2.57 0.00 0.00 177.10 174.04 1wuz n SER 3 N 4.85 3.19 -4.49 -1.22 2.88 -1.26 -4.91 113.62 112.67 1wuz n SER 3 Ca -0.13 -0.01 -0.43 0.00 -1.33 0.00 0.00 58.87 56.97 1wuz n SER 3 Cb 0.46 0.57 -0.04 0.00 -0.75 0.00 0.00 64.21 64.45 1wuz n SER 3 CO 0.00 0.00 0.00 -1.58 -1.23 0.00 0.00 175.04 172.23 1wuz s GLN 4 N -2.18 3.24 0.01 -1.46 2.00 -1.26 -1.11 119.66 118.90 1wuz s GLN 4 Ca -0.05 -0.51 0.04 0.00 -2.00 0.00 0.00 55.36 52.84 1wuz s GLN 4 Cb 0.02 -4.11 -0.01 0.00 0.80 0.00 0.00 33.01 29.71 1wuz s GLN 4 CO 0.29 -1.55 -0.11 0.42 -0.50 0.00 0.00 175.29 173.84 1wuz s ILE 5 N 3.82 0.86 0.03 -2.34 -1.09 -0.53 -5.04 121.20 116.91 1wuz s ILE 5 Ca 0.26 -0.62 0.00 0.00 -2.23 0.00 0.00 60.65 58.06 1wuz s ILE 5 Cb -0.15 -0.75 -0.02 0.00 -1.58 0.00 0.00 42.46 39.96 1wuz s ILE 5 CO 0.16 0.13 -0.04 -1.38 -1.23 0.00 0.00 174.94 172.58 1wuz s HIS 6 N -0.48 0.35 0.33 3.97 -3.43 -1.26 -1.26 115.29 113.51 1wuz s HIS 6 Ca 0.02 -0.59 0.04 0.00 -0.80 0.00 0.00 55.06 53.73 1wuz s HIS 6 Cb -0.05 -0.24 -0.06 0.00 -1.43 0.00 0.00 32.58 30.79 1wuz s HIS 6 CO 0.00 -0.20 0.07 0.71 -2.00 0.00 0.00 174.74 173.32 1wuz s TYR 7 N -1.76 1.92 -0.04 0.38 2.02 -0.64 -4.93 117.35 114.30 1wuz s TYR 7 Ca -0.12 -1.00 0.04 0.00 -0.37 0.00 0.00 57.07 55.62 1wuz s TYR 7 Cb -0.08 -1.25 -0.00 0.00 -0.40 0.00 0.00 41.96 40.23 1wuz s TYR 7 CO -0.02 -0.04 -0.15 -1.12 -1.57 0.00 0.00 175.55 172.65 1wuz s SER 8 N -3.49 1.98 -0.18 2.29 0.01 -0.88 -2.72 113.70 110.72 1wuz s SER 8 Ca 0.35 -0.32 -0.07 0.00 1.31 0.00 0.00 55.95 57.22 1wuz s SER 8 Cb 0.08 -0.58 0.08 0.00 0.21 0.00 0.00 66.02 65.80 1wuz s SER 8 CO 0.15 0.13 0.39 -0.51 0.41 0.00 0.00 173.24 173.81 1wuz s ILE 9 N 0.12 -0.40 0.26 1.44 2.07 -1.07 -4.47 121.20 119.15 1wuz s ILE 9 Ca -0.05 0.16 -0.29 0.00 -1.41 0.00 0.00 60.65 59.06 1wuz s ILE 9 Cb -0.11 -0.61 -0.09 0.00 0.13 0.00 0.00 42.46 41.77 1wuz s ILE 9 CO 0.02 0.07 1.26 -2.16 -1.91 0.00 0.00 174.94 172.22 1wuz s PRO 10 N 2.16 4.43 1.03 3.50 0.04 -1.26 -2.50 135.00 142.41 1wuz s PRO 10 Ca -0.04 2.05 -0.18 0.00 0.04 0.00 0.00 61.00 62.88 1wuz s PRO 10 Cb -0.11 -3.15 -0.00 0.00 0.04 0.00 0.00 34.50 31.28 1wuz s PRO 10 CO -0.12 -0.13 -0.21 0.39 0.04 0.00 0.00 177.00 176.98 1wuz n GLU 11 N 1.70 -0.68 -1.87 4.56 -0.58 -0.97 -2.98 120.64 119.81 1wuz n GLU 11 Ca 0.02 -0.18 -0.16 0.00 -0.42 0.00 0.00 57.16 56.43 1wuz n GLU 11 Cb 0.43 -1.55 -0.04 0.00 -0.57 0.00 0.00 31.44 29.71 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 -0.59 -1.17 -2.56 3.49 2.13 -1.13 -4.93 120.64 115.87 1wuz n GLU 12 Ca 0.02 0.91 -0.42 0.00 0.66 0.00 0.00 57.16 58.33 1wuz n GLU 12 Cb 0.60 -5.17 -0.02 0.00 0.27 0.00 0.00 31.44 27.12 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 -2.68 2.99 0.74 4.31 0.00 -1.16 -4.82 121.76 121.14 1wuz s ALA 13 Ca 0.00 -0.78 -0.13 0.00 0.00 0.00 0.00 51.96 51.05 1wuz s ALA 13 Cb 0.00 -4.03 0.04 0.00 0.00 0.00 0.00 23.12 19.13 1wuz s ALA 13 CO 0.00 -2.65 1.13 0.15 0.00 0.00 0.00 175.76 174.39 1wuz s LYS 14 N 4.97 2.28 -0.14 0.00 3.01 -1.26 -4.28 119.74 124.31 1wuz s LYS 14 Ca 0.44 1.42 -0.37 0.00 -1.01 0.00 0.00 55.97 56.46 1wuz s LYS 14 Cb -0.08 -1.88 -0.14 0.00 -1.01 0.00 0.00 37.83 34.72 1wuz s LYS 14 CO 0.26 -1.66 1.78 0.72 0.51 0.00 0.00 175.35 176.96 1wuz n HIS 15 N -3.02 2.17 0.00 3.18 8.25 -1.26 -1.55 115.22 122.97 1wuz n HIS 15 Ca 0.11 0.27 0.00 0.00 -0.26 0.00 0.00 57.72 57.84 1wuz n HIS 15 Cb 0.52 -2.55 0.00 0.00 1.12 0.00 0.00 29.99 29.08 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 4.15 1.07 3.80 -1.41 0.00 -0.78 -4.88 105.19 107.15 1wuz n GLY 16 Ca 0.24 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.89 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 4.43 0.32 2.61 2.01 -0.60 -4.70 115.64 117.72 1wuz s THR 17 Ca 0.00 1.51 -0.29 0.00 0.31 0.00 0.00 61.69 63.22 1wuz s THR 17 Cb 0.00 -3.95 -0.11 0.00 0.01 0.00 0.00 72.50 68.45 1wuz s THR 17 CO 0.00 0.24 1.53 0.12 -0.69 0.00 0.00 174.62 175.83 1wuz s PHE 18 N -1.49 2.73 0.00 4.92 2.19 -1.26 -2.51 117.98 122.57 1wuz s PHE 18 Ca 0.44 0.96 0.00 0.00 0.33 0.00 0.00 56.93 58.65 1wuz s PHE 18 Cb -0.18 -4.02 0.00 0.00 -1.31 0.00 0.00 43.02 37.51 1wuz s PHE 18 CO 0.23 -3.25 0.00 0.28 1.83 0.00 0.00 175.22 174.31 1wuz n VAL 19 N 1.56 0.00 0.00 3.12 0.31 -0.81 -4.77 118.33 117.74 1wuz n VAL 19 Ca 0.05 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.38 1wuz n VAL 19 Cb 0.38 -0.65 0.00 0.00 -0.91 0.00 0.00 33.84 32.67 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 3.20 3.27 3.55 2.92 0.00 -1.26 -2.08 105.19 114.79 1wuz n GLY 20 Ca 0.00 -0.84 -0.39 0.00 0.00 0.00 0.00 46.02 44.78 1wuz n GLY 20 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1wuz s ARG 21 N -2.03 3.04 0.08 1.61 3.00 -1.26 -1.37 118.95 122.01 1wuz s ARG 21 Ca 0.00 -0.10 -0.14 0.00 0.00 0.00 0.00 55.73 55.48 1wuz s ARG 21 Cb 0.00 -4.42 -0.20 0.00 0.00 0.00 0.00 34.95 30.33 1wuz s ARG 21 CO 0.00 -2.39 1.23 0.97 0.00 0.00 0.00 175.30 175.11 1wuz h ILE 22 N 6.43 1.30 -0.18 1.52 2.10 -1.66 -2.66 117.51 124.36 1wuz h ILE 22 Ca -0.20 -2.08 -0.11 0.00 1.08 0.00 0.00 64.86 63.55 1wuz h ILE 22 Cb 1.07 2.23 0.00 0.00 -1.09 0.00 0.00 36.82 39.03 1wuz h ILE 22 CO 1.28 0.65 -0.32 0.00 -1.08 0.00 0.00 178.15 178.67 1wuz h ALA 23 N 0.46 0.28 -0.83 0.18 0.00 -1.72 -1.61 119.26 116.01 1wuz h ALA 23 Ca -0.09 -0.42 0.01 0.00 0.00 0.00 0.00 54.91 54.42 1wuz h ALA 23 Cb 1.50 -0.05 -0.04 0.00 0.00 0.00 0.00 17.79 19.20 1wuz h ALA 23 CO 0.17 0.31 0.55 0.37 0.00 0.00 0.00 179.25 180.65 1wuz h GLN 24 N 0.17 1.08 0.00 0.00 -0.00 -1.75 0.25 115.11 114.86 1wuz h GLN 24 Ca 0.01 -0.06 -0.02 0.00 -0.00 0.00 0.00 58.65 58.58 1wuz h GLN 24 Cb 0.91 -0.24 -0.00 0.00 0.00 0.00 0.00 27.48 28.14 1wuz h GLN 24 CO 0.07 0.71 -0.08 -0.44 0.00 0.00 0.00 178.83 179.09 1wuz h ASP 25 N 1.11 0.00 0.23 -0.69 3.32 -1.48 -3.21 116.42 115.70 1wuz h ASP 25 Ca 0.31 0.00 -0.35 0.00 0.02 0.00 0.00 57.03 57.01 1wuz h ASP 25 Cb -0.11 0.00 0.02 0.00 0.22 0.00 0.00 39.33 39.47 1wuz h ASP 25 CO -0.07 0.08 -1.63 -0.07 -1.72 0.00 0.00 179.24 175.83 1wuz h LEU 26 N 0.00 0.73 -0.25 1.55 4.07 -0.23 -3.47 115.31 117.70 1wuz h LEU 26 Ca -0.00 -0.92 0.00 0.00 0.08 0.00 0.00 57.88 57.04 1wuz h LEU 26 Cb 0.84 -0.24 0.00 0.00 1.08 0.00 0.00 40.66 42.34 1wuz h LEU 26 CO 0.01 1.75 0.00 0.61 -1.08 0.00 0.00 178.44 179.73 1wuz n GLY 27 N 1.80 1.08 3.03 0.83 0.00 0.76 -4.65 105.19 108.03 1wuz n GLY 27 Ca -0.21 -0.22 -0.17 0.00 0.00 0.00 0.00 46.02 45.42 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 -0.25 2.08 0.31 0.99 0.05 -1.17 -5.08 118.68 115.60 1wuz s LEU 28 Ca 0.00 -0.25 -0.29 0.00 0.05 0.00 0.00 54.13 53.64 1wuz s LEU 28 Cb 0.00 -0.38 -0.10 0.00 -2.05 0.00 0.00 46.19 43.67 1wuz s LEU 28 CO 0.00 0.03 1.14 -1.61 -0.55 0.00 0.00 176.35 175.36 1wuz s GLU 29 N -0.56 4.50 0.58 1.48 8.01 -1.26 -4.68 118.70 126.77 1wuz s GLU 29 Ca 0.00 1.87 0.27 0.00 0.01 0.00 0.00 54.97 57.13 1wuz s GLU 29 Cb -0.05 -3.08 1.69 0.00 -4.31 0.00 0.00 34.13 28.39 1wuz s GLU 29 CO 0.00 0.07 2.19 -0.07 0.01 0.00 0.00 175.26 177.46 1wuz h LEU 30 N 3.54 0.00 -0.45 1.80 3.38 -1.97 0.24 115.31 121.85 1wuz h LEU 30 Ca -0.47 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.50 1wuz h LEU 30 Cb 1.22 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.97 1wuz h LEU 30 CO 0.66 0.00 0.00 0.35 0.09 0.00 0.00 178.44 179.54 1wuz n THR 31 N -3.94 0.07 0.08 0.22 -2.24 -1.26 -3.33 114.28 103.88 1wuz n THR 31 Ca -0.01 -0.14 0.04 0.00 -2.27 0.00 0.00 64.05 61.67 1wuz n THR 31 Cb 0.16 -0.03 -0.06 0.00 -2.10 0.00 0.00 70.33 68.31 1wuz n THR 31 CO 0.00 0.00 0.00 1.21 -0.57 0.00 0.00 175.07 175.71 1wuz n GLU 32 N -0.37 1.16 -0.15 -0.78 4.07 0.83 -4.60 120.64 120.80 1wuz n GLU 32 Ca 0.17 -0.06 -0.10 0.00 -0.06 0.00 0.00 57.16 57.10 1wuz n GLU 32 Cb 0.18 -1.13 -0.01 0.00 -0.06 0.00 0.00 31.44 30.43 1wuz n GLU 32 CO 0.00 0.00 0.00 -0.07 -0.06 0.00 0.00 177.13 177.00 1wuz h LEU 33 N 0.00 0.77 0.17 4.31 4.07 -1.49 -1.28 115.31 121.86 1wuz h LEU 33 Ca 0.00 -0.33 0.01 0.00 0.08 0.00 0.00 57.88 57.64 1wuz h LEU 33 Cb 0.34 -0.21 -0.04 0.00 1.08 0.00 0.00 40.66 41.83 1wuz h LEU 33 CO 0.00 0.91 -0.45 0.58 -1.08 0.00 0.00 178.44 178.41 1wuz h VAL 34 N 0.61 0.12 0.00 1.22 2.07 -1.82 -1.34 116.25 117.11 1wuz h VAL 34 Ca 0.12 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.64 1wuz h VAL 34 Cb 0.54 0.12 0.00 0.00 -1.52 0.00 0.00 31.29 30.43 1wuz h VAL 34 CO 0.03 0.00 0.00 1.55 0.02 0.00 0.00 177.57 179.17 1wuz h PRO 35 N -0.72 0.00 -0.43 1.57 0.13 -1.82 -2.48 132.00 128.26 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 0.72 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.85 1wuz h PRO 35 CO -0.22 0.00 0.00 0.54 -0.23 0.00 0.00 178.00 178.09 1wuz n ARG 36 N -2.40 1.99 -3.84 0.86 1.74 -0.49 -4.93 116.66 109.60 1wuz n ARG 36 Ca 0.02 -1.30 -0.31 0.00 -0.77 0.00 0.00 57.85 55.49 1wuz n ARG 36 Cb 0.24 -1.37 0.02 0.00 -1.02 0.00 0.00 32.46 30.32 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 0.49 -2.30 -4.71 0.55 7.99 -0.93 -1.80 117.00 116.28 1wuz n LEU 37 Ca 0.12 -1.05 -0.42 0.00 -0.01 0.00 0.00 56.01 54.65 1wuz n LEU 37 Cb 0.36 -2.24 -0.03 0.00 -0.11 0.00 0.00 43.42 41.41 1wuz n LEU 37 CO 0.09 0.50 1.15 0.12 -1.51 0.00 0.00 177.39 177.74 1wuz s PHE 38 N -3.67 3.10 0.01 -1.77 5.36 -0.95 -2.68 117.98 117.37 1wuz s PHE 38 Ca 0.29 0.78 -0.02 0.00 -0.96 0.00 0.00 56.93 57.02 1wuz s PHE 38 Cb -0.11 -3.79 -0.01 0.00 -0.34 0.00 0.00 43.02 38.76 1wuz s PHE 38 CO 0.89 -2.88 0.01 0.50 -1.46 0.00 0.00 175.22 172.27 1wuz s ARG 39 N 1.30 0.33 -0.01 10.12 3.00 0.57 -5.01 118.95 129.25 1wuz s ARG 39 Ca 0.67 -0.53 0.06 0.00 -1.00 0.00 0.00 55.73 54.93 1wuz s ARG 39 Cb -0.39 0.12 -0.01 0.00 0.00 0.00 0.00 34.95 34.67 1wuz s ARG 39 CO 0.31 -0.06 -0.18 0.08 0.00 0.00 0.00 175.30 175.44 1wuz s VAL 40 N -1.36 1.41 0.36 7.11 1.01 -1.26 -0.52 120.40 127.15 1wuz s VAL 40 Ca -0.15 -0.78 -0.10 0.00 0.00 0.00 0.00 61.98 60.95 1wuz s VAL 40 Cb -0.09 -1.18 0.03 0.00 0.00 0.00 0.00 36.38 35.14 1wuz s VAL 40 CO -0.00 0.39 0.65 0.00 0.00 0.00 0.00 175.10 176.13 1wuz s ALA 41 N -0.43 -0.10 0.04 5.51 0.00 -0.87 -4.91 121.76 120.99 1wuz s ALA 41 Ca 0.07 -1.07 -0.27 0.00 0.00 0.00 0.00 51.96 50.69 1wuz s ALA 41 Cb -0.07 0.89 0.09 0.00 0.00 0.00 0.00 23.12 24.03 1wuz s ALA 41 CO -0.01 -0.90 0.75 0.45 0.00 0.00 0.00 175.76 176.06 1wuz s SER 42 N -3.14 -0.49 0.36 0.00 0.15 -1.26 -2.34 113.70 106.99 1wuz s SER 42 Ca 0.22 0.13 0.23 0.00 0.70 0.00 0.00 55.95 57.23 1wuz s SER 42 Cb -0.03 0.48 0.30 0.00 -1.71 0.00 0.00 66.02 65.06 1wuz s SER 42 CO 0.15 -0.74 1.49 0.11 1.20 0.00 0.00 173.24 175.45 1wuz h LYS 43 N 2.18 0.00 0.00 5.44 1.57 -1.96 -3.08 116.57 120.72 1wuz h LYS 43 Ca -0.27 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.51 1wuz h LYS 43 Cb 1.25 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.56 1wuz h LYS 43 CO 0.35 0.00 0.00 -0.25 -0.57 0.00 0.00 179.45 178.98 1wuz n ASP 44 N -2.91 0.00 0.00 0.86 9.92 -1.26 -4.77 116.55 118.39 1wuz n ASP 44 Ca 0.03 0.33 0.00 0.00 -0.53 0.00 0.00 54.79 54.62 1wuz n ASP 44 Cb 0.52 -0.09 0.00 0.00 -0.64 0.00 0.00 41.12 40.92 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 -0.77 1.17 0.00 -1.24 5.12 -1.26 -5.01 116.66 114.67 1wuz n ARG 45 Ca 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.92 1wuz n ARG 45 Cb 0.00 -0.91 0.00 0.00 -1.16 0.00 0.00 32.46 30.39 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 2.21 2.35 2.26 -0.13 0.00 -1.17 -4.89 105.19 105.82 1wuz n GLY 46 Ca 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.79 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 1.04 -0.11 1.61 8.00 -1.26 -4.05 116.55 121.78 1wuz n ASP 47 Ca 0.00 -2.91 -0.23 0.00 0.71 0.00 0.00 54.79 52.36 1wuz n ASP 47 Cb 0.00 -0.64 -0.12 0.00 -0.02 0.00 0.00 41.12 40.35 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 1.02 2.48 -3.73 0.64 4.32 -1.26 -4.29 117.00 116.17 1wuz n LEU 48 Ca 0.24 0.13 -0.14 0.00 -0.02 0.00 0.00 56.01 56.22 1wuz n LEU 48 Cb 0.53 -0.92 -0.08 0.00 -1.62 0.00 0.00 43.42 41.32 1wuz n LEU 48 CO 0.23 0.74 0.08 -0.76 -1.22 0.00 0.00 177.39 176.45 1wuz s LEU 49 N -7.07 0.64 0.19 2.23 1.02 -1.26 -1.99 118.68 112.45 1wuz s LEU 49 Ca -0.33 0.23 0.08 0.00 0.02 0.00 0.00 54.13 54.12 1wuz s LEU 49 Cb 0.10 1.42 -0.05 0.00 0.02 0.00 0.00 46.19 47.69 1wuz s LEU 49 CO 0.59 -0.44 -0.15 -1.61 0.02 0.00 0.00 176.35 174.76 1wuz s GLU 50 N -1.17 1.31 -0.12 1.70 2.02 -1.09 -4.86 118.70 116.49 1wuz s GLU 50 Ca -0.12 -1.54 -0.06 0.00 0.02 0.00 0.00 54.97 53.27 1wuz s GLU 50 Cb -0.04 -1.16 -0.04 0.00 0.10 0.00 0.00 34.13 32.99 1wuz s GLU 50 CO 0.05 0.20 0.11 0.54 0.02 0.00 0.00 175.26 176.18 1wuz s VAL 51 N -2.73 5.28 -0.29 2.63 0.11 -1.26 -1.33 120.40 122.81 1wuz s VAL 51 Ca 0.20 0.12 -0.08 0.00 -2.93 0.00 0.00 61.98 59.30 1wuz s VAL 51 Cb -0.02 -3.29 -0.00 0.00 -1.53 0.00 0.00 36.38 31.54 1wuz s VAL 51 CO 0.07 0.61 0.10 0.21 -3.33 0.00 0.00 175.10 172.75 1wuz s ASN 52 N -0.93 5.22 0.34 3.54 2.47 0.24 -4.95 114.94 120.88 1wuz s ASN 52 Ca 0.14 -0.59 0.24 0.00 0.42 0.00 0.00 52.86 53.07 1wuz s ASN 52 Cb -0.12 -1.92 1.26 0.00 -1.45 0.00 0.00 41.25 39.02 1wuz s ASN 52 CO 0.03 -0.17 1.73 -0.07 -3.72 0.00 0.00 177.10 174.91 1wuz h LEU 53 N 8.26 0.00 -0.52 3.21 4.07 -1.92 0.27 115.31 128.68 1wuz h LEU 53 Ca -0.33 0.00 0.10 0.00 0.08 0.00 0.00 57.88 57.74 1wuz h LEU 53 Cb 1.14 0.00 -0.09 0.00 1.08 0.00 0.00 40.66 42.79 1wuz h LEU 53 CO 0.60 0.00 0.01 -0.61 -1.08 0.00 0.00 178.44 177.36 1wuz h GLN 54 N 0.00 0.12 0.00 1.13 4.15 -1.94 -3.31 115.11 115.27 1wuz h GLN 54 Ca 0.00 -0.01 -0.01 0.00 0.77 0.00 0.00 58.65 59.40 1wuz h GLN 54 Cb 0.06 -0.03 -0.02 0.00 0.21 0.00 0.00 27.48 27.70 1wuz h GLN 54 CO 0.00 0.08 -0.44 0.09 -1.93 0.00 0.00 178.83 176.63 1wuz n ASN 55 N -5.23 0.04 -2.91 -0.69 4.13 -1.06 -5.00 115.26 104.54 1wuz n ASN 55 Ca 0.06 -1.84 -0.21 0.00 1.68 0.00 0.00 54.58 54.28 1wuz n ASN 55 Cb 0.29 -0.17 0.01 0.00 -1.54 0.00 0.00 39.78 38.37 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 0.03 -0.51 3.71 7.41 0.00 0.92 -4.88 105.19 111.86 1wuz n GLY 56 Ca 0.00 0.08 -0.27 0.00 0.00 0.00 0.00 46.02 45.84 1wuz n GLY 56 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1wuz s ILE 57 N -3.03 3.97 -0.01 -0.61 -1.09 -1.12 -1.70 121.20 117.61 1wuz s ILE 57 Ca 0.23 -1.30 -0.16 0.00 -2.23 0.00 0.00 60.65 57.19 1wuz s ILE 57 Cb -0.11 -3.00 -0.06 0.00 -1.58 0.00 0.00 42.46 37.71 1wuz s ILE 57 CO 0.29 -0.10 0.43 -0.76 -1.23 0.00 0.00 174.94 173.56 1wuz s LEU 58 N -2.97 4.46 -0.03 2.97 1.43 -0.47 -0.59 118.68 123.47 1wuz s LEU 58 Ca 0.29 0.97 0.04 0.00 -1.03 0.00 0.00 54.13 54.40 1wuz s LEU 58 Cb -0.10 -2.63 -0.00 0.00 0.03 0.00 0.00 46.19 43.49 1wuz s LEU 58 CO 0.20 0.28 -0.16 0.72 0.23 0.00 0.00 176.35 177.62 1wuz s PHE 59 N -0.88 1.61 0.38 0.29 -0.71 -0.44 -1.91 117.98 116.32 1wuz s PHE 59 Ca 0.24 -0.42 -0.25 0.00 -1.04 0.00 0.00 56.93 55.46 1wuz s PHE 59 Cb -0.17 -1.08 -0.12 0.00 -1.21 0.00 0.00 43.02 40.44 1wuz s PHE 59 CO 0.13 -0.13 0.88 0.28 -1.34 0.00 0.00 175.22 175.04 1wuz n VAL 60 N 3.04 2.16 -2.05 -2.49 0.31 -1.04 -2.68 118.33 115.58 1wuz n VAL 60 Ca -0.17 -0.50 0.00 0.00 -0.01 0.00 0.00 64.34 63.66 1wuz n VAL 60 Cb 0.53 -0.92 -0.00 0.00 -0.91 0.00 0.00 33.84 32.54 1wuz n VAL 60 CO 0.00 0.00 0.00 -3.20 -1.32 0.00 0.00 176.83 172.31 1wuz n ASN 61 N 0.91 0.05 -1.30 4.52 4.05 -0.84 -1.86 115.26 120.79 1wuz n ASN 61 Ca 0.10 -1.73 -0.02 0.00 0.45 0.00 0.00 54.58 53.39 1wuz n ASN 61 Cb 0.37 -0.13 0.00 0.00 1.23 0.00 0.00 39.78 41.25 1wuz n ASN 61 CO 0.00 0.00 0.00 -1.54 -3.05 0.00 0.00 177.26 172.67 1wuz n SER 62 N 0.05 -0.37 -4.63 1.20 3.41 -1.08 -4.53 113.62 107.67 1wuz n SER 62 Ca -0.01 -1.27 -0.43 0.00 -0.26 0.00 0.00 58.87 56.91 1wuz n SER 62 Cb 0.69 0.62 -0.02 0.00 -0.26 0.00 0.00 64.21 65.23 1wuz n SER 62 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1wuz s ARG 63 N -2.03 3.89 -0.01 4.33 1.70 -1.26 -4.66 118.95 120.90 1wuz s ARG 63 Ca 0.03 1.37 0.13 0.00 -0.47 0.00 0.00 55.73 56.79 1wuz s ARG 63 Cb -0.01 -3.92 -0.18 0.00 -0.57 0.00 0.00 34.95 30.27 1wuz s ARG 63 CO 0.02 -1.16 0.32 -0.89 -1.08 0.00 0.00 175.30 172.51 1wuz n ILE 64 N 6.25 0.00 -1.61 4.99 2.08 -1.26 -4.21 119.36 125.60 1wuz n ILE 64 Ca 0.16 -0.27 -0.46 0.00 0.56 0.00 0.00 62.75 62.73 1wuz n ILE 64 Cb 0.46 0.36 -0.03 0.00 -0.75 0.00 0.00 39.64 39.69 1wuz n ILE 64 CO 0.00 0.00 0.00 -0.67 0.56 0.00 0.00 176.55 176.44 1wuz n ASP 65 N -1.81 1.80 -0.37 4.38 -0.08 -1.26 -2.86 116.55 116.34 1wuz n ASP 65 Ca -0.01 1.16 0.29 0.00 -1.51 0.00 0.00 54.79 54.71 1wuz n ASP 65 Cb 0.30 -1.31 0.56 0.00 2.34 0.00 0.00 41.12 43.01 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 3.20 0.24 -0.14 -0.67 3.08 -1.95 0.59 114.38 118.74 1wuz h ARG 66 Ca -0.43 -0.01 0.05 0.00 0.07 0.00 0.00 59.98 59.65 1wuz h ARG 66 Cb 1.32 -0.05 -0.06 0.00 0.08 0.00 0.00 29.97 31.26 1wuz h ARG 66 CO 0.69 0.16 -0.23 0.93 -1.07 0.00 0.00 179.97 180.45 1wuz h GLU 67 N 0.25 -0.28 0.00 0.04 4.39 -1.87 0.49 114.58 117.60 1wuz h GLU 67 Ca 0.72 0.02 -0.06 0.00 0.34 0.00 0.00 59.36 60.38 1wuz h GLU 67 Cb 1.98 0.06 -0.01 0.00 -0.10 0.00 0.00 28.75 30.68 1wuz h GLU 67 CO -0.43 -0.19 -0.33 0.93 -1.16 0.00 0.00 179.01 177.83 1wuz h GLU 68 N -0.29 0.00 -0.01 2.33 5.08 -1.13 -3.40 114.58 117.16 1wuz h GLU 68 Ca 0.10 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.46 1wuz h GLU 68 Cb 0.44 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.69 1wuz h GLU 68 CO -0.30 0.82 -0.01 1.25 -1.00 0.00 0.00 179.01 179.76 1wuz h LEU 69 N -1.00 -0.04 0.00 1.33 7.12 0.01 -3.46 115.31 119.27 1wuz h LEU 69 Ca -0.09 0.00 0.00 0.00 0.13 0.00 0.00 57.88 57.93 1wuz h LEU 69 Cb 0.92 0.01 0.00 0.00 -0.53 0.00 0.00 40.66 41.06 1wuz h LEU 69 CO -0.05 -0.01 0.00 0.00 -0.13 0.00 0.00 178.44 178.25 1wuz n GLY 71 N -1.47 1.57 0.15 0.00 0.00 0.15 -4.36 105.19 101.23 1wuz n GLY 71 Ca 0.00 0.12 -0.05 0.00 0.00 0.00 0.00 46.02 46.09 1wuz n GLY 71 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1wuz h ARG 72 N 0.00 -0.22 -6.11 1.61 3.08 -1.95 -3.40 114.38 107.39 1wuz h ARG 72 Ca 0.00 0.01 -0.67 0.00 0.07 0.00 0.00 59.98 59.40 1wuz h ARG 72 Cb 0.00 0.05 0.00 0.00 0.08 0.00 0.00 29.97 30.10 1wuz h ARG 72 CO 0.00 -0.15 1.21 0.45 -1.07 0.00 0.00 179.97 180.41 1wuz n SER 73 N -3.39 2.67 -0.17 7.04 2.88 -1.26 -4.79 113.62 116.59 1wuz n SER 73 Ca -0.03 0.72 0.28 0.00 -1.33 0.00 0.00 58.87 58.52 1wuz n SER 73 Cb 0.13 -1.28 0.72 0.00 -0.75 0.00 0.00 64.21 63.02 1wuz n SER 73 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1wuz h ALA 74 N 10.41 2.82 -2.45 -1.46 0.00 -1.95 -3.37 119.26 123.26 1wuz h ALA 74 Ca -0.39 -0.03 -0.18 0.00 0.00 0.00 0.00 54.91 54.31 1wuz h ALA 74 Cb 1.30 0.06 -0.31 0.00 0.00 0.00 0.00 17.79 18.85 1wuz h ALA 74 CO 0.98 -1.07 -0.49 -1.21 0.00 0.00 0.00 179.25 177.46 1wuz s GLU 75 N -4.98 0.26 -0.03 0.00 2.02 -1.26 -4.61 118.70 110.10 1wuz s GLU 75 Ca -0.05 0.68 0.03 0.00 0.02 0.00 0.00 54.97 55.65 1wuz s GLU 75 Cb 0.21 -0.23 -0.03 0.00 0.10 0.00 0.00 34.13 34.18 1wuz s GLU 75 CO 0.77 -0.43 -0.09 0.00 0.02 0.00 0.00 175.26 175.53 1wuz s SER 77 N -1.08 5.70 0.00 0.00 1.04 -1.26 -2.61 113.70 115.48 1wuz s SER 77 Ca 0.14 -0.02 0.03 0.00 0.48 0.00 0.00 55.95 56.58 1wuz s SER 77 Cb -0.11 -1.56 -0.01 0.00 0.10 0.00 0.00 66.02 64.44 1wuz s SER 77 CO 0.04 0.11 -0.11 -0.63 0.98 0.00 0.00 173.24 173.63 1wuz s ILE 78 N -1.62 0.83 -0.01 -1.02 1.09 -0.43 -5.01 121.20 115.04 1wuz s ILE 78 Ca 0.31 -0.57 0.05 0.00 -1.10 0.00 0.00 60.65 59.34 1wuz s ILE 78 Cb -0.11 -0.72 -0.03 0.00 -1.06 0.00 0.00 42.46 40.54 1wuz s ILE 78 CO 0.24 0.15 -0.14 -1.00 -0.10 0.00 0.00 174.94 174.08 1wuz s HIS 79 N -0.42 2.68 0.05 3.97 3.76 -1.26 -1.98 115.29 122.08 1wuz s HIS 79 Ca 0.03 -0.17 -0.06 0.00 -0.15 0.00 0.00 55.06 54.70 1wuz s HIS 79 Cb -0.05 -1.57 -0.01 0.00 1.11 0.00 0.00 32.58 32.06 1wuz s HIS 79 CO -0.00 0.23 0.11 -1.17 -0.85 0.00 0.00 174.74 173.06 1wuz s LEU 80 N -1.05 1.75 -0.13 0.89 0.20 0.96 -4.75 118.68 116.56 1wuz s LEU 80 Ca 0.13 -0.56 -0.01 0.00 0.69 0.00 0.00 54.13 54.38 1wuz s LEU 80 Cb -0.11 0.67 0.03 0.00 -0.43 0.00 0.00 46.19 46.36 1wuz s LEU 80 CO 0.03 -0.55 -0.04 -1.61 -0.29 0.00 0.00 176.35 173.90 1wuz s GLU 81 N -2.86 1.15 -0.46 1.98 2.02 -0.99 -2.18 118.70 117.37 1wuz s GLU 81 Ca -0.03 -0.25 -0.20 0.00 0.02 0.00 0.00 54.97 54.51 1wuz s GLU 81 Cb 0.00 -1.60 0.03 0.00 0.10 0.00 0.00 34.13 32.66 1wuz s GLU 81 CO -0.06 -0.37 0.60 0.08 0.02 0.00 0.00 175.26 175.54 1wuz s VAL 82 N 1.78 4.88 -0.32 2.63 1.01 -1.06 -2.06 120.40 127.26 1wuz s VAL 82 Ca 0.03 -0.15 -0.26 0.00 0.00 0.00 0.00 61.98 61.61 1wuz s VAL 82 Cb -0.14 -4.21 0.01 0.00 0.00 0.00 0.00 36.38 32.04 1wuz s VAL 82 CO -0.07 -0.63 0.90 -0.63 0.00 0.00 0.00 175.10 174.67 1wuz s ILE 83 N 2.66 4.67 -0.08 2.22 1.09 0.32 -1.86 121.20 130.22 1wuz s ILE 83 Ca 0.19 1.36 0.05 0.00 -1.10 0.00 0.00 60.65 61.14 1wuz s ILE 83 Cb -0.16 -4.27 -0.01 0.00 -1.06 0.00 0.00 42.46 36.97 1wuz s ILE 83 CO 0.16 -0.37 -0.23 0.68 -0.10 0.00 0.00 174.94 175.08 1wuz s VAL 84 N 3.26 2.20 -0.29 2.92 -7.23 -0.85 -0.32 120.40 120.09 1wuz s VAL 84 Ca 0.37 -1.00 -0.10 0.00 -1.81 0.00 0.00 61.98 59.45 1wuz s VAL 84 Cb -0.13 -1.83 -0.02 0.00 0.56 0.00 0.00 36.38 34.96 1wuz s VAL 84 CO 0.14 0.56 0.15 -0.62 -0.31 0.00 0.00 175.10 175.02 1wuz s ASP 85 N 0.04 5.57 -0.21 4.85 -1.08 -0.74 -2.52 116.67 122.57 1wuz s ASP 85 Ca -0.09 -0.37 -0.04 0.00 -0.52 0.00 0.00 52.55 51.52 1wuz s ASP 85 Cb -0.15 -2.01 0.01 0.00 -1.46 0.00 0.00 42.92 39.30 1wuz s ASP 85 CO 0.06 -0.14 0.16 -1.14 0.52 0.00 0.00 175.17 174.63 1wuz n ARG 86 N 4.99 -1.69 -1.40 4.34 0.00 -1.26 -3.72 116.66 117.92 1wuz n ARG 86 Ca -0.14 1.62 -0.32 0.00 -0.00 0.00 0.00 57.85 59.01 1wuz n ARG 86 Cb 0.50 -3.67 0.08 0.00 0.00 0.00 0.00 32.46 29.37 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 -1.39 2.41 -0.48 -0.14 0.04 -1.26 -4.59 135.00 129.58 1wuz s PRO 87 Ca 0.07 1.23 -0.21 0.00 0.04 0.00 0.00 61.00 62.12 1wuz s PRO 87 Cb -0.02 -1.91 0.03 0.00 0.04 0.00 0.00 34.50 32.64 1wuz s PRO 87 CO 0.44 -1.53 0.72 -0.51 0.04 0.00 0.00 177.00 176.16 1wuz s LEU 88 N -5.62 4.48 -0.08 -3.56 1.43 -1.26 -4.69 118.68 109.38 1wuz s LEU 88 Ca 0.63 -0.42 -0.31 0.00 -1.03 0.00 0.00 54.13 53.00 1wuz s LEU 88 Cb -0.18 -2.74 0.11 0.00 0.03 0.00 0.00 46.19 43.41 1wuz s LEU 88 CO 0.52 -0.91 1.37 0.00 0.23 0.00 0.00 176.35 177.55 1wuz s GLN 89 N 3.08 0.08 0.20 1.70 -2.07 -1.05 -5.05 119.66 116.55 1wuz s GLN 89 Ca 0.24 -0.05 0.10 0.00 -1.82 0.00 0.00 55.36 53.83 1wuz s GLN 89 Cb -0.14 0.02 -0.04 0.00 -1.09 0.00 0.00 33.01 31.75 1wuz s GLN 89 CO 0.18 -0.04 -0.21 0.08 -1.32 0.00 0.00 175.29 173.99 1wuz s VAL 90 N -2.01 2.18 -0.18 3.63 1.01 -1.26 -2.01 120.40 121.75 1wuz s VAL 90 Ca 0.30 -2.09 -0.01 0.00 0.00 0.00 0.00 61.98 60.18 1wuz s VAL 90 Cb 0.01 -2.07 0.00 0.00 0.00 0.00 0.00 36.38 34.32 1wuz s VAL 90 CO -0.03 -0.27 -0.14 -0.36 0.00 0.00 0.00 175.10 174.31 1wuz s PHE 91 N -2.05 2.83 -0.12 5.22 0.08 -0.78 -4.92 117.98 118.25 1wuz s PHE 91 Ca 0.21 -1.18 -0.29 0.00 0.12 0.00 0.00 56.93 55.79 1wuz s PHE 91 Cb -0.06 -1.96 -0.04 0.00 -0.57 0.00 0.00 43.02 40.39 1wuz s PHE 91 CO 0.10 -0.58 1.57 -1.58 -0.10 0.00 0.00 175.22 174.63 1wuz s HIS 92 N 1.12 2.17 -0.11 0.36 2.46 -0.26 -2.57 115.29 118.46 1wuz s HIS 92 Ca 0.01 0.43 0.01 0.00 0.47 0.00 0.00 55.06 55.98 1wuz s HIS 92 Cb -0.14 -3.85 0.02 0.00 -0.13 0.00 0.00 32.58 28.47 1wuz s HIS 92 CO -0.05 -3.22 -0.14 0.08 -2.47 0.00 0.00 174.74 168.94 1wuz s VAL 93 N 4.23 1.39 -0.17 0.89 1.01 -0.93 -1.45 120.40 125.39 1wuz s VAL 93 Ca 0.69 -0.57 -0.01 0.00 0.00 0.00 0.00 61.98 62.09 1wuz s VAL 93 Cb -0.29 -1.29 0.04 0.00 0.00 0.00 0.00 36.38 34.84 1wuz s VAL 93 CO 0.27 0.42 -0.04 -1.83 0.00 0.00 0.00 175.10 173.92 1wuz s GLU 94 N 1.07 1.28 -0.13 2.72 -1.05 -0.39 -0.03 118.70 122.18 1wuz s GLU 94 Ca -0.05 -0.49 -0.02 0.00 -0.15 0.00 0.00 54.97 54.26 1wuz s GLU 94 Cb -0.15 -1.98 -0.03 0.00 -0.44 0.00 0.00 34.13 31.54 1wuz s GLU 94 CO -0.02 -0.46 -0.06 0.14 0.95 0.00 0.00 175.26 175.81 1wuz s VAL 95 N 1.67 3.74 0.16 1.83 -7.23 -0.84 -1.62 120.40 118.11 1wuz s VAL 95 Ca 0.00 -0.43 0.06 0.00 -1.81 0.00 0.00 61.98 59.81 1wuz s VAL 95 Cb -0.15 -2.60 -0.04 0.00 0.56 0.00 0.00 36.38 34.15 1wuz s VAL 95 CO -0.07 0.53 0.02 -1.61 -0.31 0.00 0.00 175.10 173.66 1wuz s GLU 96 N 0.02 2.51 -0.19 4.82 2.02 -1.10 -1.31 118.70 125.47 1wuz s GLU 96 Ca -0.00 -1.02 -0.09 0.00 0.02 0.00 0.00 54.97 53.87 1wuz s GLU 96 Cb -0.14 -2.44 -0.05 0.00 0.10 0.00 0.00 34.13 31.61 1wuz s GLU 96 CO 0.03 0.47 0.12 0.14 0.02 0.00 0.00 175.26 176.05 1wuz s VAL 97 N -1.66 5.34 -0.24 2.63 -7.23 -1.07 -2.58 120.40 115.58 1wuz s VAL 97 Ca 0.28 0.16 -0.04 0.00 -1.81 0.00 0.00 61.98 60.56 1wuz s VAL 97 Cb -0.10 -3.42 -0.00 0.00 0.56 0.00 0.00 36.38 33.42 1wuz s VAL 97 CO 0.19 0.46 -0.01 -0.60 -0.31 0.00 0.00 175.10 174.83 1wuz s ARG 98 N 0.25 3.28 -0.04 4.82 3.52 -1.04 -4.43 118.95 125.30 1wuz s ARG 98 Ca 0.08 -0.70 -0.28 0.00 -0.13 0.00 0.00 55.73 54.70 1wuz s ARG 98 Cb -0.11 -3.10 0.09 0.00 -1.56 0.00 0.00 34.95 30.27 1wuz s ARG 98 CO -0.01 -0.27 1.27 -3.47 -0.81 0.00 0.00 175.30 172.01 1wuz n ASP 99 N 4.80 -1.11 -4.28 -2.12 -0.08 -1.26 -2.30 116.55 110.20 1wuz n ASP 99 Ca -0.17 -1.17 -0.18 0.00 -1.51 0.00 0.00 54.79 51.76 1wuz n ASP 99 Cb 0.50 1.70 -0.11 0.00 2.34 0.00 0.00 41.12 45.55 1wuz n ASP 99 CO 0.00 0.00 0.00 -0.63 0.12 0.00 0.00 177.20 176.69 1wuz s ILE 100 N -2.01 1.48 -0.17 5.18 -1.09 -1.26 -4.90 121.20 118.44 1wuz s ILE 100 Ca 0.30 -1.90 -0.25 0.00 -2.23 0.00 0.00 60.65 56.57 1wuz s ILE 100 Cb -0.01 -1.73 -0.23 0.00 -1.58 0.00 0.00 42.46 38.92 1wuz s ILE 100 CO -0.01 -0.47 0.52 -1.13 -1.23 0.00 0.00 174.94 172.62 1wuz h ASN 101 N 3.19 0.00 -0.40 3.58 -1.24 -1.92 -3.32 115.58 115.47 1wuz h ASN 101 Ca -0.40 -0.77 0.12 0.00 0.71 0.00 0.00 56.30 55.96 1wuz h ASN 101 Cb 1.20 0.00 -0.02 0.00 0.73 0.00 0.00 38.32 40.24 1wuz h ASN 101 CO 0.54 1.19 0.32 -0.78 -1.29 0.00 0.00 177.43 177.42 1wuz h ASP 102 N -1.00 0.00 0.00 1.15 1.82 -1.98 -3.53 116.42 112.89 1wuz h ASP 102 Ca -0.14 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.50 1wuz h ASP 102 Cb 1.11 0.00 0.00 0.00 0.68 0.00 0.00 39.33 41.12 1wuz h ASP 102 CO -0.09 0.00 0.00 -3.20 -1.61 0.00 0.00 179.24 174.34