#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 0.00 -0.02 1.61 5.15 -1.26 -4.97 115.26 115.77 1wuz n ASN 2 Ca 0.00 0.00 -0.02 0.00 -0.60 0.00 0.00 54.58 53.96 1wuz n ASN 2 Cb 0.00 0.00 -0.02 0.00 -0.53 0.00 0.00 39.78 39.23 1wuz n ASN 2 CO 0.00 0.00 0.00 -1.54 1.40 0.00 0.00 177.26 177.12 1wuz n SER 3 N -0.63 4.20 -4.53 1.20 3.41 -1.26 -4.85 113.62 111.16 1wuz n SER 3 Ca 0.00 -0.00 -0.43 0.00 -0.26 0.00 0.00 58.87 58.18 1wuz n SER 3 Cb 0.00 0.52 -0.06 0.00 -0.26 0.00 0.00 64.21 64.40 1wuz n SER 3 CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 1wuz s GLN 4 N -2.07 3.38 -0.05 4.33 -0.21 -1.26 -1.27 119.66 122.51 1wuz s GLN 4 Ca -0.02 -0.22 -0.07 0.00 0.02 0.00 0.00 55.36 55.07 1wuz s GLN 4 Cb 0.01 -3.92 0.01 0.00 1.00 0.00 0.00 33.01 30.11 1wuz s GLN 4 CO 0.12 -0.99 0.17 0.42 -2.12 0.00 0.00 175.29 172.89 1wuz s ILE 5 N 2.93 0.03 -0.00 1.08 1.09 -0.79 -3.78 121.20 121.77 1wuz s ILE 5 Ca 0.25 -0.22 -0.02 0.00 -1.10 0.00 0.00 60.65 59.57 1wuz s ILE 5 Cb -0.14 -0.32 -0.01 0.00 -1.06 0.00 0.00 42.46 40.94 1wuz s ILE 5 CO 0.19 -0.12 0.03 -1.38 -0.10 0.00 0.00 174.94 173.56 1wuz s HIS 6 N -0.38 0.08 0.34 3.97 -3.43 -1.26 -0.93 115.29 113.68 1wuz s HIS 6 Ca -0.05 -0.15 0.09 0.00 -0.80 0.00 0.00 55.06 54.15 1wuz s HIS 6 Cb -0.03 -0.07 -0.05 0.00 -1.43 0.00 0.00 32.58 31.00 1wuz s HIS 6 CO 0.01 -0.11 0.01 0.71 -2.00 0.00 0.00 174.74 173.36 1wuz s TYR 7 N -0.67 2.55 -0.18 0.38 2.02 -0.41 -4.92 117.35 116.11 1wuz s TYR 7 Ca -0.07 -0.44 0.00 0.00 -0.37 0.00 0.00 57.07 56.19 1wuz s TYR 7 Cb -0.05 -1.49 0.04 0.00 -0.40 0.00 0.00 41.96 40.07 1wuz s TYR 7 CO -0.00 0.48 -0.08 -1.12 -1.57 0.00 0.00 175.55 173.25 1wuz s SER 8 N -3.72 3.15 -0.07 2.29 0.01 -0.97 -2.71 113.70 111.69 1wuz s SER 8 Ca 0.35 -0.79 -0.02 0.00 1.31 0.00 0.00 55.95 56.80 1wuz s SER 8 Cb -0.00 -1.11 0.04 0.00 0.21 0.00 0.00 66.02 65.16 1wuz s SER 8 CO 0.19 -0.16 0.06 -0.51 0.41 0.00 0.00 173.24 173.23 1wuz s ILE 9 N 1.49 -0.05 0.36 1.44 2.07 -1.07 -4.66 121.20 120.79 1wuz s ILE 9 Ca -0.00 0.28 -0.27 0.00 -1.41 0.00 0.00 60.65 59.25 1wuz s ILE 9 Cb -0.16 -0.28 -0.09 0.00 0.13 0.00 0.00 42.46 42.07 1wuz s ILE 9 CO -0.08 0.10 1.20 -2.16 -1.91 0.00 0.00 174.94 172.09 1wuz s PRO 10 N 2.14 4.22 1.01 3.50 0.04 -1.26 -2.44 135.00 142.21 1wuz s PRO 10 Ca 0.04 1.95 -0.17 0.00 0.04 0.00 0.00 61.00 62.87 1wuz s PRO 10 Cb -0.13 -2.87 -0.02 0.00 0.04 0.00 0.00 34.50 31.52 1wuz s PRO 10 CO -0.04 -0.21 -0.21 0.39 0.04 0.00 0.00 177.00 176.97 1wuz n GLU 11 N 0.45 -0.49 -3.13 4.56 1.02 -0.83 -3.46 120.64 118.76 1wuz n GLU 11 Ca 0.02 -0.12 -0.17 0.00 -0.02 0.00 0.00 57.16 56.87 1wuz n GLU 11 Cb 0.45 -1.51 0.05 0.00 -0.02 0.00 0.00 31.44 30.40 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 -0.28 -5.00 -3.13 3.49 2.13 -1.26 -4.93 120.64 111.66 1wuz n GLU 12 Ca 0.02 0.62 -0.45 0.00 0.66 0.00 0.00 57.16 58.00 1wuz n GLU 12 Cb 0.59 -4.95 -0.03 0.00 0.27 0.00 0.00 31.44 27.32 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 -3.15 3.63 0.66 4.31 0.00 -1.22 -5.01 121.76 120.98 1wuz s ALA 13 Ca 0.35 -2.78 -0.17 0.00 0.00 0.00 0.00 51.96 49.36 1wuz s ALA 13 Cb -0.16 -3.69 -0.05 0.00 0.00 0.00 0.00 23.12 19.22 1wuz s ALA 13 CO 0.44 -2.52 0.61 0.36 0.00 0.00 0.00 175.76 174.65 1wuz n LYS 14 N 5.57 0.45 -1.66 0.00 2.85 -1.26 -4.69 118.16 119.41 1wuz n LYS 14 Ca 0.09 0.19 -0.52 0.00 -1.05 0.00 0.00 58.31 57.02 1wuz n LYS 14 Cb 0.46 -1.86 -0.06 0.00 -0.65 0.00 0.00 35.03 32.92 1wuz n LYS 14 CO 0.00 0.00 0.00 0.72 -0.05 0.00 0.00 177.40 178.07 1wuz n HIS 15 N -2.12 2.00 0.00 5.58 8.25 -1.26 -1.78 115.22 125.89 1wuz n HIS 15 Ca 0.11 0.40 0.00 0.00 -0.26 0.00 0.00 57.72 57.97 1wuz n HIS 15 Cb 0.49 -2.48 0.00 0.00 1.12 0.00 0.00 29.99 29.11 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 3.64 0.95 3.76 -1.41 0.00 -0.85 -4.88 105.19 106.41 1wuz n GLY 16 Ca 0.22 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.84 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 4.46 0.55 2.61 2.01 -0.74 -4.63 115.64 117.90 1wuz s THR 17 Ca 0.00 1.73 -0.22 0.00 0.31 0.00 0.00 61.69 63.51 1wuz s THR 17 Cb 0.00 -4.16 -0.05 0.00 0.01 0.00 0.00 72.50 68.30 1wuz s THR 17 CO 0.00 0.46 1.36 0.33 -0.69 0.00 0.00 174.62 176.08 1wuz n PHE 18 N 2.02 2.30 0.00 4.92 7.35 -1.26 -1.86 117.46 130.93 1wuz n PHE 18 Ca -0.04 0.43 0.00 0.00 -0.76 0.00 0.00 57.45 57.08 1wuz n PHE 18 Cb 0.49 -2.36 0.00 0.00 0.35 0.00 0.00 39.48 37.96 1wuz n PHE 18 CO 0.00 0.00 0.00 0.28 -0.76 0.00 0.00 176.76 176.28 1wuz n VAL 19 N -1.03 0.00 0.00 -2.13 0.31 -0.75 -4.81 118.33 109.93 1wuz n VAL 19 Ca 0.10 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.43 1wuz n VAL 19 Cb 0.45 -0.90 0.00 0.00 -0.91 0.00 0.00 33.84 32.47 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 2.22 2.10 3.48 2.92 0.00 -1.26 -2.30 105.19 112.36 1wuz n GLY 20 Ca 0.00 0.32 -0.43 0.00 0.00 0.00 0.00 46.02 45.91 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 0.49 -0.06 1.61 1.74 -1.26 -4.07 116.66 115.10 1wuz n ARG 21 Ca 0.00 0.05 -0.13 0.00 -0.77 0.00 0.00 57.85 57.01 1wuz n ARG 21 Cb 0.00 -2.21 -0.00 0.00 -1.02 0.00 0.00 32.46 29.23 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 7.66 1.29 -0.29 0.55 2.10 -1.91 -2.54 117.51 124.37 1wuz h ILE 22 Ca -0.15 -1.71 -0.16 0.00 1.08 0.00 0.00 64.86 63.92 1wuz h ILE 22 Cb 1.31 1.62 -0.01 0.00 -1.09 0.00 0.00 36.82 38.66 1wuz h ILE 22 CO 1.23 0.55 -0.45 0.00 -1.08 0.00 0.00 178.15 178.40 1wuz h ALA 23 N 0.80 0.67 -0.48 0.18 0.00 -1.87 -2.29 119.26 116.26 1wuz h ALA 23 Ca 0.02 -0.47 -0.04 0.00 0.00 0.00 0.00 54.91 54.42 1wuz h ALA 23 Cb 1.10 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.77 1wuz h ALA 23 CO 0.11 0.67 0.14 0.37 0.00 0.00 0.00 179.25 180.54 1wuz h GLN 24 N 0.59 0.76 0.00 0.00 -0.00 -1.81 0.20 115.11 114.86 1wuz h GLN 24 Ca 0.04 -0.17 0.00 0.00 -0.00 0.00 0.00 58.65 58.51 1wuz h GLN 24 Cb 1.01 -0.11 0.00 0.00 0.00 0.00 0.00 27.48 28.38 1wuz h GLN 24 CO 0.10 0.73 0.00 -0.25 0.00 0.00 0.00 178.83 179.40 1wuz n ASP 25 N -4.50 0.09 -0.07 -0.69 8.00 -0.96 -3.25 116.55 115.17 1wuz n ASP 25 Ca 0.01 0.51 -0.19 0.00 0.71 0.00 0.00 54.79 55.84 1wuz n ASP 25 Cb 0.20 -0.53 -0.13 0.00 -0.02 0.00 0.00 41.12 40.64 1wuz n ASP 25 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 1wuz n LEU 26 N -1.59 2.67 -0.44 0.64 4.32 -0.80 -4.28 117.00 117.53 1wuz n LEU 26 Ca 0.05 0.03 0.00 0.00 -0.02 0.00 0.00 56.01 56.07 1wuz n LEU 26 Cb 0.27 -0.92 0.00 0.00 -1.62 0.00 0.00 43.42 41.15 1wuz n LEU 26 CO 0.21 0.87 0.00 0.61 -1.22 0.00 0.00 177.39 177.86 1wuz n GLY 27 N 2.11 0.67 3.28 -0.72 0.00 0.64 -4.71 105.19 106.45 1wuz n GLY 27 Ca -0.39 -0.31 -0.17 0.00 0.00 0.00 0.00 46.02 45.15 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 -0.88 2.48 0.46 0.99 1.43 -1.18 -5.09 118.68 116.90 1wuz s LEU 28 Ca 0.00 -0.93 -0.21 0.00 -1.03 0.00 0.00 54.13 51.96 1wuz s LEU 28 Cb 0.00 -0.53 -0.08 0.00 0.03 0.00 0.00 46.19 45.60 1wuz s LEU 28 CO 0.00 -0.20 1.05 -0.70 0.23 0.00 0.00 176.35 176.73 1wuz s GLU 29 N -3.26 3.88 0.37 1.70 -6.30 -1.26 -4.80 118.70 109.03 1wuz s GLU 29 Ca 0.15 1.44 0.16 0.00 -2.50 0.00 0.00 54.97 54.22 1wuz s GLU 29 Cb -0.02 -2.24 0.72 0.00 0.00 0.00 0.00 34.13 32.60 1wuz s GLU 29 CO 0.03 -0.38 1.78 1.25 0.02 0.00 0.00 175.26 177.97 1wuz h LEU 30 N 1.84 0.00 -1.68 2.70 7.12 -1.98 -2.47 115.31 120.84 1wuz h LEU 30 Ca -0.49 0.00 0.00 0.00 0.13 0.00 0.00 57.88 57.52 1wuz h LEU 30 Cb 1.22 0.00 0.00 0.00 -0.53 0.00 0.00 40.66 41.35 1wuz h LEU 30 CO 0.60 0.39 0.00 0.41 -0.13 0.00 0.00 178.44 179.71 1wuz n THR 31 N -3.82 0.23 0.64 1.05 -1.04 -1.26 -3.91 114.28 106.17 1wuz n THR 31 Ca -0.01 -0.50 0.10 0.00 -2.04 0.00 0.00 64.05 61.59 1wuz n THR 31 Cb 0.46 0.85 -0.13 0.00 -1.82 0.00 0.00 70.33 69.69 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 0.92 0.48 -0.15 -2.82 4.71 -0.94 -4.36 120.64 118.49 1wuz n GLU 32 Ca 0.17 -0.06 -0.10 0.00 -0.01 0.00 0.00 57.16 57.16 1wuz n GLU 32 Cb 0.49 -1.46 0.03 0.00 -1.01 0.00 0.00 31.44 29.49 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 0.97 0.20 -4.62 3.38 -1.65 -1.97 115.31 111.62 1wuz h LEU 33 Ca 0.00 -0.35 0.01 0.00 0.09 0.00 0.00 57.88 57.63 1wuz h LEU 33 Cb 0.62 -0.27 -0.04 0.00 0.09 0.00 0.00 40.66 41.06 1wuz h LEU 33 CO 0.00 1.12 -0.46 0.58 0.09 0.00 0.00 178.44 179.77 1wuz h VAL 34 N 0.84 0.09 0.00 1.22 2.07 -1.81 -1.38 116.25 117.29 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 0.74 0.09 0.00 0.00 -1.52 0.00 0.00 31.29 30.60 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 -0.75 0.00 -0.16 1.57 0.13 -1.81 -2.33 132.00 128.66 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 -0.22 0.00 0.00 0.54 -0.23 0.00 0.00 178.00 178.09 1wuz n ARG 36 N -2.44 1.67 -3.90 0.86 3.00 -0.58 -4.85 116.66 110.41 1wuz n ARG 36 Ca 0.02 -1.00 -0.32 0.00 -0.01 0.00 0.00 57.85 56.53 1wuz n ARG 36 Cb 0.24 -1.38 0.01 0.00 0.00 0.00 0.00 32.46 31.33 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 0.23 -1.99 -4.73 0.55 4.32 -0.85 -1.50 117.00 113.03 1wuz n LEU 37 Ca 0.16 -1.09 -0.42 0.00 -0.02 0.00 0.00 56.01 54.64 1wuz n LEU 37 Cb 0.30 -2.13 -0.03 0.00 -1.62 0.00 0.00 43.42 39.95 1wuz n LEU 37 CO 0.13 0.52 1.14 0.12 -1.22 0.00 0.00 177.39 178.07 1wuz s PHE 38 N -3.73 3.09 -0.13 -1.77 5.36 -1.07 -2.70 117.98 117.04 1wuz s PHE 38 Ca 0.27 0.87 -0.09 0.00 -0.96 0.00 0.00 56.93 57.02 1wuz s PHE 38 Cb -0.12 -3.82 0.04 0.00 -0.34 0.00 0.00 43.02 38.78 1wuz s PHE 38 CO 0.90 -2.85 0.33 1.03 -1.46 0.00 0.00 175.22 173.17 1wuz s ARG 39 N 0.49 0.34 -0.13 10.12 0.52 -0.15 -5.01 118.95 125.13 1wuz s ARG 39 Ca 0.64 0.54 -0.05 0.00 -0.52 0.00 0.00 55.73 56.34 1wuz s ARG 39 Cb -0.41 0.07 -0.04 0.00 0.52 0.00 0.00 34.95 35.09 1wuz s ARG 39 CO 0.36 -0.10 0.07 0.08 0.02 0.00 0.00 175.30 175.73 1wuz s VAL 40 N 0.68 4.90 0.38 3.52 1.01 -1.26 -0.37 120.40 129.27 1wuz s VAL 40 Ca -0.04 -0.01 -0.08 0.00 0.00 0.00 0.00 61.98 61.85 1wuz s VAL 40 Cb -0.05 -3.14 0.03 0.00 0.00 0.00 0.00 36.38 33.22 1wuz s VAL 40 CO -0.04 0.57 0.64 0.00 0.00 0.00 0.00 175.10 176.26 1wuz s ALA 41 N -0.56 0.13 0.08 5.51 0.00 -0.82 -4.89 121.76 121.22 1wuz s ALA 41 Ca 0.11 -1.21 -0.26 0.00 0.00 0.00 0.00 51.96 50.60 1wuz s ALA 41 Cb -0.12 0.91 0.08 0.00 0.00 0.00 0.00 23.12 23.99 1wuz s ALA 41 CO 0.02 -0.88 0.67 0.45 0.00 0.00 0.00 175.76 176.02 1wuz s SER 42 N -3.18 -0.55 0.31 0.00 0.15 -1.26 -1.81 113.70 107.36 1wuz s SER 42 Ca 0.24 0.16 0.19 0.00 0.70 0.00 0.00 55.95 57.24 1wuz s SER 42 Cb -0.03 0.55 0.14 0.00 -1.71 0.00 0.00 66.02 64.98 1wuz s SER 42 CO 0.17 -0.83 1.41 0.11 1.20 0.00 0.00 173.24 175.30 1wuz h LYS 43 N 2.22 0.00 0.00 5.44 1.79 -1.93 -3.25 116.57 120.84 1wuz h LYS 43 Ca -0.30 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.17 1wuz h LYS 43 Cb 1.26 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.91 1wuz h LYS 43 CO 0.37 0.23 0.00 -0.25 -1.08 0.00 0.00 179.45 178.72 1wuz n ASP 44 N -3.08 0.00 0.00 0.86 9.92 -1.26 -4.81 116.55 118.17 1wuz n ASP 44 Ca 0.01 0.24 0.00 0.00 -0.53 0.00 0.00 54.79 54.51 1wuz n ASP 44 Cb 0.65 -0.01 0.00 0.00 -0.64 0.00 0.00 41.12 41.12 1wuz n ASP 44 CO 0.00 0.00 0.00 -1.14 0.13 0.00 0.00 177.20 176.19 1wuz n ARG 45 N -0.52 1.76 -1.00 -1.24 3.00 -1.26 -5.01 116.66 112.40 1wuz n ARG 45 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.85 1wuz n ARG 45 Cb 0.00 -0.84 0.00 0.00 0.00 0.00 0.00 32.46 31.62 1wuz n ARG 45 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1wuz n GLY 46 N 1.83 0.20 2.25 5.14 0.00 -1.23 -4.89 105.19 108.51 1wuz n GLY 46 Ca 0.00 0.00 -0.24 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 -0.59 1.00 -0.01 1.61 9.92 -1.26 -4.55 116.55 122.67 1wuz n ASP 47 Ca 0.00 -2.90 -0.02 0.00 -0.53 0.00 0.00 54.79 51.34 1wuz n ASP 47 Cb 0.29 -0.64 -0.01 0.00 -0.64 0.00 0.00 41.12 40.13 1wuz n ASP 47 CO 0.00 0.00 0.00 0.18 0.13 0.00 0.00 177.20 177.51 1wuz n LEU 48 N 1.07 1.72 -4.01 0.64 4.77 -1.26 -4.60 117.00 115.32 1wuz n LEU 48 Ca 0.23 0.01 -0.10 0.00 -0.03 0.00 0.00 56.01 56.12 1wuz n LEU 48 Cb 0.53 -0.07 -0.05 0.00 -2.33 0.00 0.00 43.42 41.50 1wuz n LEU 48 CO 0.23 0.32 0.17 -0.76 -1.33 0.00 0.00 177.39 176.02 1wuz s LEU 49 N -5.58 0.41 -0.05 2.23 1.02 -1.26 -2.09 118.68 113.36 1wuz s LEU 49 Ca -0.03 -1.01 -0.20 0.00 0.02 0.00 0.00 54.13 52.91 1wuz s LEU 49 Cb 0.01 1.73 0.04 0.00 0.02 0.00 0.00 46.19 47.99 1wuz s LEU 49 CO 0.05 -1.17 0.44 -0.70 0.02 0.00 0.00 176.35 174.98 1wuz s GLU 50 N -3.85 0.76 0.01 1.70 2.12 -1.09 -4.79 118.70 113.56 1wuz s GLU 50 Ca 0.24 0.05 -0.14 0.00 0.36 0.00 0.00 54.97 55.48 1wuz s GLU 50 Cb -0.01 0.35 -0.06 0.00 0.26 0.00 0.00 34.13 34.68 1wuz s GLU 50 CO 0.10 -0.21 0.40 0.54 -0.54 0.00 0.00 175.26 175.56 1wuz s VAL 51 N -1.07 5.05 -0.33 3.70 0.11 -1.26 -2.43 120.40 124.16 1wuz s VAL 51 Ca -0.11 0.77 -0.12 0.00 -2.93 0.00 0.00 61.98 59.59 1wuz s VAL 51 Cb -0.03 -3.69 -0.01 0.00 -1.53 0.00 0.00 36.38 31.11 1wuz s VAL 51 CO 0.05 0.53 0.21 0.21 -3.33 0.00 0.00 175.10 172.77 1wuz s ASN 52 N -1.19 5.88 0.34 3.54 2.47 0.01 -4.94 114.94 121.04 1wuz s ASN 52 Ca 0.25 -0.46 0.24 0.00 0.42 0.00 0.00 52.86 53.31 1wuz s ASN 52 Cb -0.16 -2.09 1.21 0.00 -1.45 0.00 0.00 41.25 38.76 1wuz s ASN 52 CO 0.14 -0.22 1.73 -0.07 -3.72 0.00 0.00 177.10 174.96 1wuz h LEU 53 N 8.44 0.00 -0.58 3.21 3.38 -1.95 0.30 115.31 128.12 1wuz h LEU 53 Ca -0.31 0.00 0.11 0.00 0.09 0.00 0.00 57.88 57.77 1wuz h LEU 53 Cb 1.15 0.00 -0.09 0.00 0.09 0.00 0.00 40.66 41.82 1wuz h LEU 53 CO 0.63 0.00 0.09 -0.61 0.09 0.00 0.00 178.44 178.64 1wuz h GLN 54 N 0.00 0.21 0.00 1.13 4.15 -1.94 -3.30 115.11 115.35 1wuz h GLN 54 Ca 0.00 -0.01 0.00 0.00 0.77 0.00 0.00 58.65 59.41 1wuz h GLN 54 Cb 0.11 -0.05 0.00 0.00 0.21 0.00 0.00 27.48 27.75 1wuz h GLN 54 CO 0.00 0.14 -0.38 0.09 -1.93 0.00 0.00 178.83 176.75 1wuz n ASN 55 N -5.16 0.00 -2.81 -0.69 3.02 -1.09 -5.00 115.26 103.53 1wuz n ASN 55 Ca 0.08 -1.75 -0.21 0.00 -0.03 0.00 0.00 54.58 52.67 1wuz n ASN 55 Cb 0.31 -0.15 0.01 0.00 -0.61 0.00 0.00 39.78 39.35 1wuz n ASN 55 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1wuz n GLY 56 N 0.00 -0.51 3.85 7.41 0.00 0.10 -4.98 105.19 111.07 1wuz n GLY 56 Ca 0.00 0.07 -0.31 0.00 0.00 0.00 0.00 46.02 45.79 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 -3.05 5.00 -0.22 -0.61 1.10 -1.10 -3.79 121.20 118.53 1wuz s ILE 57 Ca 0.19 -0.56 -0.14 0.00 -0.51 0.00 0.00 60.65 59.63 1wuz s ILE 57 Cb -0.09 -3.42 -0.04 0.00 0.15 0.00 0.00 42.46 39.05 1wuz s ILE 57 CO 0.24 0.14 0.32 -0.22 -2.11 0.00 0.00 174.94 173.30 1wuz s LEU 58 N -2.44 4.14 0.14 8.50 1.98 -1.26 -0.81 118.68 128.93 1wuz s LEU 58 Ca 0.32 0.37 0.08 0.00 -2.89 0.00 0.00 54.13 52.01 1wuz s LEU 58 Cb -0.13 -2.37 -0.04 0.00 0.66 0.00 0.00 46.19 44.31 1wuz s LEU 58 CO 0.25 -0.03 -0.18 0.72 -1.89 0.00 0.00 176.35 175.22 1wuz s PHE 59 N 1.25 1.71 0.44 5.38 -0.71 -1.02 -1.80 117.98 123.22 1wuz s PHE 59 Ca 0.15 -0.48 -0.26 0.00 -1.04 0.00 0.00 56.93 55.30 1wuz s PHE 59 Cb -0.14 -0.88 -0.08 0.00 -1.21 0.00 0.00 43.02 40.71 1wuz s PHE 59 CO 0.07 0.26 1.39 0.08 -1.34 0.00 0.00 175.22 175.68 1wuz s VAL 60 N -1.90 2.22 -0.00 -2.49 1.01 -0.78 -2.67 120.40 115.78 1wuz s VAL 60 Ca 0.12 0.20 0.13 0.00 0.00 0.00 0.00 61.98 62.42 1wuz s VAL 60 Cb -0.06 -3.11 0.21 0.00 0.00 0.00 0.00 36.38 33.41 1wuz s VAL 60 CO 0.05 0.03 1.08 -3.20 0.00 0.00 0.00 175.10 173.07 1wuz n ASN 61 N -0.10 0.53 -1.00 3.32 4.05 -0.97 -2.01 115.26 119.08 1wuz n ASN 61 Ca 0.05 -2.04 0.00 0.00 0.45 0.00 0.00 54.58 53.04 1wuz n ASN 61 Cb 0.42 -0.25 0.00 0.00 1.23 0.00 0.00 39.78 41.18 1wuz n ASN 61 CO 0.00 0.00 0.00 -0.24 -3.05 0.00 0.00 177.26 173.97 1wuz n SER 62 N 0.20 0.00 -4.64 1.20 2.88 -0.89 -4.50 113.62 107.88 1wuz n SER 62 Ca 0.03 -1.00 -0.43 0.00 -1.33 0.00 0.00 58.87 56.15 1wuz n SER 62 Cb 0.91 0.00 -0.03 0.00 -0.75 0.00 0.00 64.21 64.34 1wuz n SER 62 CO 0.00 0.00 0.00 -0.13 -1.23 0.00 0.00 175.04 173.68 1wuz s ARG 63 N -1.99 4.08 -0.01 -1.46 3.00 -1.26 -4.70 118.95 116.61 1wuz s ARG 63 Ca 0.00 0.98 0.13 0.00 0.00 0.00 0.00 55.73 56.83 1wuz s ARG 63 Cb 0.00 -3.71 -0.18 0.00 0.00 0.00 0.00 34.95 31.06 1wuz s ARG 63 CO 0.00 -0.76 0.35 1.51 0.00 0.00 0.00 175.30 176.41 1wuz n ILE 64 N 5.62 0.00 -1.55 1.52 0.13 -1.26 -4.18 119.36 119.64 1wuz n ILE 64 Ca 0.09 -0.27 -0.40 0.00 -1.10 0.00 0.00 62.75 61.07 1wuz n ILE 64 Cb 0.47 0.45 0.02 0.00 -0.84 0.00 0.00 39.64 39.74 1wuz n ILE 64 CO 0.00 0.00 0.00 -0.90 2.80 0.00 0.00 176.55 178.45 1wuz n ASP 65 N -1.75 0.19 -0.26 9.51 5.75 -1.26 -4.25 116.55 124.48 1wuz n ASP 65 Ca -0.01 0.90 0.30 0.00 -0.01 0.00 0.00 54.79 55.96 1wuz n ASP 65 Cb 0.29 -1.27 0.69 0.00 -1.03 0.00 0.00 41.12 39.80 1wuz n ASP 65 CO 0.00 0.00 0.00 0.08 -0.11 0.00 0.00 177.20 177.17 1wuz h ARG 66 N 0.88 0.09 0.23 0.11 0.11 -1.95 0.49 114.38 114.35 1wuz h ARG 66 Ca -0.45 -0.01 0.00 0.00 0.10 0.00 0.00 59.98 59.63 1wuz h ARG 66 Cb 1.37 -0.02 -0.02 0.00 1.11 0.00 0.00 29.97 32.41 1wuz h ARG 66 CO 0.52 0.06 -0.24 1.49 0.10 0.00 0.00 179.97 181.90 1wuz h GLU 67 N 0.09 -0.48 0.01 0.08 4.81 -1.87 0.35 114.58 117.57 1wuz h GLU 67 Ca 0.51 0.03 -0.07 0.00 -0.13 0.00 0.00 59.36 59.70 1wuz h GLU 67 Cb 1.87 0.11 -0.01 0.00 0.63 0.00 0.00 28.75 31.35 1wuz h GLU 67 CO -0.06 -0.32 -0.38 0.93 -0.73 0.00 0.00 179.01 178.44 1wuz h GLU 68 N -0.50 0.03 0.00 1.92 3.07 -1.45 -3.40 114.58 114.24 1wuz h GLU 68 Ca -0.00 -0.04 0.00 0.00 -0.50 0.00 0.00 59.36 58.81 1wuz h GLU 68 Cb 0.47 0.02 0.00 0.00 -0.84 0.00 0.00 28.75 28.40 1wuz h GLU 68 CO -0.05 1.02 0.00 -0.11 -1.40 0.00 0.00 179.01 178.47 1wuz n LEU 69 N -4.52 0.00 0.09 1.33 -0.00 0.16 -4.89 117.00 109.17 1wuz n LEU 69 Ca -0.16 0.93 0.00 0.00 -0.00 0.00 0.00 56.01 56.79 1wuz n LEU 69 Cb 0.56 -0.43 0.00 0.00 -0.00 0.00 0.00 43.42 43.55 1wuz n LEU 69 CO 0.32 -0.43 0.00 0.00 -0.00 0.00 0.00 177.39 177.27 1wuz n GLY 71 N -1.44 0.71 0.12 0.00 0.00 0.11 -4.79 105.19 99.91 1wuz n GLY 71 Ca 0.00 -0.10 -0.01 0.00 0.00 0.00 0.00 46.02 45.91 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 0.14 0.00 -2.92 1.61 3.08 -1.95 -3.47 114.38 110.86 1wuz h ARG 72 Ca -0.13 0.00 -0.05 0.00 0.07 0.00 0.00 59.98 59.87 1wuz h ARG 72 Cb 0.89 0.00 -0.15 0.00 0.08 0.00 0.00 29.97 30.79 1wuz h ARG 72 CO 0.19 0.68 0.04 0.45 -1.07 0.00 0.00 179.97 180.27 1wuz s SER 73 N -6.69 -0.42 0.25 7.04 0.15 -1.26 -5.05 113.70 107.73 1wuz s SER 73 Ca 0.00 0.06 -0.03 0.00 0.70 0.00 0.00 55.95 56.68 1wuz s SER 73 Cb 0.11 0.51 0.49 0.00 -1.71 0.00 0.00 66.02 65.42 1wuz s SER 73 CO 0.76 -0.78 1.75 0.00 1.20 0.00 0.00 173.24 176.17 1wuz h ALA 74 N 2.58 1.16 -2.44 5.45 0.00 -1.90 -3.34 119.26 120.78 1wuz h ALA 74 Ca -0.32 0.10 -0.73 0.00 0.00 0.00 0.00 54.91 53.95 1wuz h ALA 74 Cb 1.24 0.03 -0.25 0.00 0.00 0.00 0.00 17.79 18.81 1wuz h ALA 74 CO 0.42 -0.15 -0.36 -2.00 0.00 0.00 0.00 179.25 177.16 1wuz s GLU 75 N -6.00 2.83 -0.16 0.00 2.12 -1.26 -4.52 118.70 111.72 1wuz s GLU 75 Ca -0.12 -1.46 -0.01 0.00 0.36 0.00 0.00 54.97 53.74 1wuz s GLU 75 Cb 0.21 -4.04 -0.01 0.00 0.26 0.00 0.00 34.13 30.56 1wuz s GLU 75 CO 0.77 -1.06 -0.12 0.00 -0.54 0.00 0.00 175.26 174.31 1wuz s SER 77 N 0.82 6.41 -0.00 0.00 0.01 -1.26 -2.51 113.70 117.17 1wuz s SER 77 Ca -0.04 0.43 0.01 0.00 1.31 0.00 0.00 55.95 57.66 1wuz s SER 77 Cb -0.15 -2.02 -0.01 0.00 0.21 0.00 0.00 66.02 64.05 1wuz s SER 77 CO 0.00 0.02 -0.05 -0.63 0.41 0.00 0.00 173.24 172.99 1wuz s ILE 78 N -1.75 0.37 -0.04 1.44 1.09 -0.36 -5.01 121.20 116.94 1wuz s ILE 78 Ca 0.39 -0.26 0.02 0.00 -1.10 0.00 0.00 60.65 59.69 1wuz s ILE 78 Cb -0.12 -0.33 -0.03 0.00 -1.06 0.00 0.00 42.46 40.93 1wuz s ILE 78 CO 0.28 0.06 -0.07 -1.00 -0.10 0.00 0.00 174.94 174.11 1wuz s HIS 79 N -0.20 2.90 0.04 3.97 3.76 -1.26 -1.93 115.29 122.57 1wuz s HIS 79 Ca 0.01 -0.01 -0.03 0.00 -0.15 0.00 0.00 55.06 54.88 1wuz s HIS 79 Cb -0.02 -1.66 -0.02 0.00 1.11 0.00 0.00 32.58 31.98 1wuz s HIS 79 CO -0.00 0.34 0.03 -1.17 -0.85 0.00 0.00 174.74 173.09 1wuz s LEU 80 N -1.06 2.13 -0.15 0.89 0.20 0.10 -4.79 118.68 116.00 1wuz s LEU 80 Ca 0.14 -0.72 -0.02 0.00 0.69 0.00 0.00 54.13 54.23 1wuz s LEU 80 Cb -0.11 0.38 0.05 0.00 -0.43 0.00 0.00 46.19 46.07 1wuz s LEU 80 CO 0.04 -0.52 0.01 -1.61 -0.29 0.00 0.00 176.35 173.98 1wuz s GLU 81 N -2.99 0.82 -0.47 1.98 2.02 -0.75 -2.05 118.70 117.25 1wuz s GLU 81 Ca -0.02 -0.30 -0.20 0.00 0.02 0.00 0.00 54.97 54.47 1wuz s GLU 81 Cb 0.01 -1.78 0.04 0.00 0.10 0.00 0.00 34.13 32.50 1wuz s GLU 81 CO -0.06 -0.50 0.66 0.08 0.02 0.00 0.00 175.26 175.46 1wuz s VAL 82 N 1.84 4.80 0.02 2.63 1.01 -0.91 -1.95 120.40 127.84 1wuz s VAL 82 Ca 0.01 -0.09 -0.28 0.00 0.00 0.00 0.00 61.98 61.62 1wuz s VAL 82 Cb -0.15 -4.27 -0.04 0.00 0.00 0.00 0.00 36.38 31.91 1wuz s VAL 82 CO -0.07 -0.72 0.88 -0.51 0.00 0.00 0.00 175.10 174.67 1wuz s ILE 83 N 2.86 4.79 -0.01 2.22 -1.16 0.51 -1.36 121.20 129.05 1wuz s ILE 83 Ca 0.21 1.86 0.04 0.00 -0.51 0.00 0.00 60.65 62.24 1wuz s ILE 83 Cb -0.16 -4.23 -0.01 0.00 0.61 0.00 0.00 42.46 38.68 1wuz s ILE 83 CO 0.16 0.26 -0.12 0.68 -2.81 0.00 0.00 174.94 173.11 1wuz s VAL 84 N 0.51 0.96 -0.29 4.00 -7.23 -0.57 -0.98 120.40 116.81 1wuz s VAL 84 Ca 0.45 -0.51 -0.06 0.00 -1.81 0.00 0.00 61.98 60.05 1wuz s VAL 84 Cb -0.21 -0.81 0.01 0.00 0.56 0.00 0.00 36.38 35.93 1wuz s VAL 84 CO 0.26 0.27 0.06 -0.62 -0.31 0.00 0.00 175.10 174.76 1wuz s ASP 85 N -0.23 4.99 -0.22 4.85 2.15 -0.56 -2.50 116.67 125.13 1wuz s ASP 85 Ca 0.04 -0.72 -0.05 0.00 0.43 0.00 0.00 52.55 52.25 1wuz s ASP 85 Cb -0.05 -1.84 0.01 0.00 -0.30 0.00 0.00 42.92 40.73 1wuz s ASP 85 CO -0.00 -0.18 0.18 0.54 -0.17 0.00 0.00 175.17 175.54 1wuz n ARG 86 N 4.83 -1.79 -1.42 4.34 1.74 -1.26 -3.38 116.66 119.73 1wuz n ARG 86 Ca -0.15 1.69 -0.32 0.00 -0.77 0.00 0.00 57.85 58.31 1wuz n ARG 86 Cb 0.48 -3.85 0.08 0.00 -1.02 0.00 0.00 32.46 28.14 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 2.43 -0.44 5.56 0.04 -1.26 -4.25 135.00 135.60 1wuz s PRO 87 Ca 0.08 1.24 -0.21 0.00 0.04 0.00 0.00 61.00 62.15 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 0.47 -1.52 0.65 -0.51 0.04 0.00 0.00 177.00 176.13 1wuz s LEU 88 N -5.59 4.49 0.00 -3.56 2.01 -1.26 -4.68 118.68 110.10 1wuz s LEU 88 Ca 0.63 -0.33 -0.22 0.00 0.01 0.00 0.00 54.13 54.22 1wuz s LEU 88 Cb -0.18 -2.74 0.07 0.00 0.01 0.00 0.00 46.19 43.35 1wuz s LEU 88 CO 0.51 -0.79 0.96 0.00 1.01 0.00 0.00 176.35 178.05 1wuz n GLN 89 N 6.28 0.03 -4.26 1.70 1.13 -1.04 -5.05 117.38 116.17 1wuz n GLN 89 Ca -0.01 -0.39 -0.17 0.00 -1.94 0.00 0.00 57.00 54.48 1wuz n GLN 89 Cb 0.48 0.75 -0.11 0.00 0.11 0.00 0.00 30.24 31.47 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 1.38 -0.14 5.09 1.01 -1.26 -1.51 120.40 122.96 1wuz s VAL 90 Ca 0.23 -1.86 0.00 0.00 0.00 0.00 0.00 61.98 60.35 1wuz s VAL 90 Cb -0.00 -1.68 -0.01 0.00 0.00 0.00 0.00 36.38 34.69 1wuz s VAL 90 CO -0.02 -0.50 -0.15 -0.36 0.00 0.00 0.00 175.10 174.07 1wuz s PHE 91 N -2.48 2.77 -0.22 5.22 0.08 -0.46 -4.92 117.98 117.96 1wuz s PHE 91 Ca 0.13 -0.83 -0.29 0.00 0.12 0.00 0.00 56.93 56.06 1wuz s PHE 91 Cb -0.03 -1.84 -0.01 0.00 -0.57 0.00 0.00 43.02 40.57 1wuz s PHE 91 CO 0.03 -0.33 1.26 -1.58 -0.10 0.00 0.00 175.22 174.50 1wuz s HIS 92 N 0.52 2.83 -0.08 0.36 2.46 -0.40 -2.13 115.29 118.84 1wuz s HIS 92 Ca -0.10 0.99 0.03 0.00 0.47 0.00 0.00 55.06 56.45 1wuz s HIS 92 Cb -0.16 -3.64 0.01 0.00 -0.13 0.00 0.00 32.58 28.66 1wuz s HIS 92 CO 0.04 -1.59 -0.18 0.08 -2.47 0.00 0.00 174.74 170.62 1wuz s VAL 93 N 3.81 1.58 -0.20 0.89 1.01 -0.87 -1.88 120.40 124.75 1wuz s VAL 93 Ca 0.54 -0.74 -0.00 0.00 0.00 0.00 0.00 61.98 61.78 1wuz s VAL 93 Cb -0.19 -1.40 0.05 0.00 0.00 0.00 0.00 36.38 34.84 1wuz s VAL 93 CO 0.17 0.45 -0.04 -0.70 0.00 0.00 0.00 175.10 174.98 1wuz s GLU 94 N 0.55 1.43 -0.10 2.72 2.12 -0.10 0.03 118.70 125.34 1wuz s GLU 94 Ca -0.16 -0.71 -0.02 0.00 0.36 0.00 0.00 54.97 54.44 1wuz s GLU 94 Cb -0.17 -2.28 -0.03 0.00 0.26 0.00 0.00 34.13 31.91 1wuz s GLU 94 CO 0.06 -0.53 -0.01 0.14 -0.54 0.00 0.00 175.26 174.37 1wuz s VAL 95 N 1.56 4.16 0.13 3.70 -7.23 -0.81 -1.29 120.40 120.61 1wuz s VAL 95 Ca -0.02 -0.29 0.08 0.00 -1.81 0.00 0.00 61.98 59.93 1wuz s VAL 95 Cb -0.17 -2.77 -0.04 0.00 0.56 0.00 0.00 36.38 33.96 1wuz s VAL 95 CO -0.07 0.57 -0.11 -0.70 -0.31 0.00 0.00 175.10 174.47 1wuz s GLU 96 N -0.52 2.04 -0.35 4.82 2.12 -1.10 -1.23 118.70 124.47 1wuz s GLU 96 Ca 0.09 -1.13 -0.16 0.00 0.36 0.00 0.00 54.97 54.13 1wuz s GLU 96 Cb -0.12 -2.23 -0.01 0.00 0.26 0.00 0.00 34.13 32.04 1wuz s GLU 96 CO 0.02 0.48 0.40 0.14 -0.54 0.00 0.00 175.26 175.76 1wuz s VAL 97 N -1.34 5.13 -0.41 3.70 -7.23 -1.05 -2.60 120.40 116.60 1wuz s VAL 97 Ca 0.22 0.05 -0.24 0.00 -1.81 0.00 0.00 61.98 60.19 1wuz s VAL 97 Cb -0.10 -3.87 0.02 0.00 0.56 0.00 0.00 36.38 32.98 1wuz s VAL 97 CO 0.13 -0.15 0.83 -0.13 -0.31 0.00 0.00 175.10 175.47 1wuz s ARG 98 N 2.09 3.61 0.00 4.82 0.52 -1.02 -4.44 118.95 124.53 1wuz s ARG 98 Ca 0.13 0.18 0.00 0.00 -0.52 0.00 0.00 55.73 55.52 1wuz s ARG 98 Cb -0.16 -3.87 0.00 0.00 0.52 0.00 0.00 34.95 31.43 1wuz s ARG 98 CO 0.12 -1.02 0.00 -3.47 0.02 0.00 0.00 175.30 170.95 1wuz n ASP 99 N 6.70 0.00 -4.51 0.23 2.03 -1.26 -1.97 116.55 117.76 1wuz n ASP 99 Ca 0.04 -0.98 -0.25 0.00 0.52 0.00 0.00 54.79 54.11 1wuz n ASP 99 Cb 0.48 0.00 -0.10 0.00 -0.72 0.00 0.00 41.12 40.78 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 -2.03 2.79 0.23 5.18 -4.36 -1.26 -4.80 121.20 116.95 1wuz s ILE 100 Ca 0.00 -2.02 0.20 0.00 -0.26 0.00 0.00 60.65 58.57 1wuz s ILE 100 Cb 0.00 -2.41 0.17 0.00 1.25 0.00 0.00 42.46 41.46 1wuz s ILE 100 CO 0.00 -0.24 1.81 -0.55 0.24 0.00 0.00 174.94 176.20 1wuz h ASN 101 N 2.64 0.00 -0.78 4.36 -1.07 -1.90 -2.77 115.58 116.07 1wuz h ASN 101 Ca -0.44 0.00 -0.39 0.00 0.07 0.00 0.00 56.30 55.54 1wuz h ASN 101 Cb 1.23 0.00 -0.23 0.00 -2.07 0.00 0.00 38.32 37.25 1wuz h ASN 101 CO 0.55 0.32 0.49 -0.67 0.07 0.00 0.00 177.43 178.19 1wuz n ASP 102 N -3.60 3.68 0.00 6.14 2.03 -1.26 -4.93 116.55 118.61 1wuz n ASP 102 Ca -0.01 -3.25 0.00 0.00 0.52 0.00 0.00 54.79 52.05 1wuz n ASP 102 Cb 0.44 -0.76 0.00 0.00 -0.72 0.00 0.00 41.12 40.08 1wuz n ASP 102 CO 0.00 0.00 0.00 -3.20 -1.92 0.00 0.00 177.20 172.08