#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 3.45 -0.05 1.61 4.22 -1.26 -5.05 114.94 117.85 1wuz s ASN 2 Ca 0.00 -1.01 0.03 0.00 -2.14 0.00 0.00 52.86 49.73 1wuz s ASN 2 Cb 0.00 -0.28 -0.05 0.00 1.28 0.00 0.00 41.25 42.21 1wuz s ASN 2 CO 0.00 0.02 -0.01 -1.20 -2.04 0.00 0.00 177.10 173.87 1wuz n SER 3 N -0.51 3.78 -4.54 3.54 7.64 -1.26 -4.95 113.62 117.31 1wuz n SER 3 Ca -0.06 -0.01 -0.43 0.00 1.01 0.00 0.00 58.87 59.38 1wuz n SER 3 Cb 0.60 0.36 -0.05 0.00 -1.01 0.00 0.00 64.21 64.10 1wuz n SER 3 CO 0.00 0.00 0.00 -1.58 -3.01 0.00 0.00 175.04 170.45 1wuz s GLN 4 N -2.11 3.41 0.04 1.43 0.74 -1.26 -1.43 119.66 120.48 1wuz s GLN 4 Ca -0.04 -0.09 0.05 0.00 0.05 0.00 0.00 55.36 55.33 1wuz s GLN 4 Cb 0.02 -3.94 -0.02 0.00 1.10 0.00 0.00 33.01 30.16 1wuz s GLN 4 CO 0.16 -1.13 -0.13 0.42 -0.55 0.00 0.00 175.29 174.06 1wuz s ILE 5 N 3.33 1.04 0.03 -2.34 1.01 -0.14 -5.03 121.20 119.09 1wuz s ILE 5 Ca 0.30 -1.01 -0.01 0.00 0.00 0.00 0.00 60.65 59.94 1wuz s ILE 5 Cb -0.12 -0.96 -0.02 0.00 0.01 0.00 0.00 42.46 41.37 1wuz s ILE 5 CO 0.23 -0.05 -0.02 -1.38 0.00 0.00 0.00 174.94 173.73 1wuz s HIS 6 N -0.91 0.33 0.29 3.97 -3.43 -1.26 -0.84 115.29 113.43 1wuz s HIS 6 Ca 0.00 -0.68 0.04 0.00 -0.80 0.00 0.00 55.06 53.63 1wuz s HIS 6 Cb -0.08 -0.24 -0.06 0.00 -1.43 0.00 0.00 32.58 30.77 1wuz s HIS 6 CO 0.01 -0.26 0.02 0.71 -2.00 0.00 0.00 174.74 173.22 1wuz s TYR 7 N -2.27 1.83 -0.16 0.38 2.02 -0.66 -4.91 117.35 113.59 1wuz s TYR 7 Ca -0.08 -0.90 0.01 0.00 -0.37 0.00 0.00 57.07 55.73 1wuz s TYR 7 Cb -0.04 -1.13 0.01 0.00 -0.40 0.00 0.00 41.96 40.41 1wuz s TYR 7 CO -0.04 0.05 -0.19 -1.12 -1.57 0.00 0.00 175.55 172.67 1wuz s SER 8 N -3.42 3.26 -0.11 2.29 0.01 -0.83 -2.72 113.70 112.18 1wuz s SER 8 Ca 0.33 -0.59 -0.03 0.00 1.31 0.00 0.00 55.95 56.96 1wuz s SER 8 Cb 0.07 -1.49 0.05 0.00 0.21 0.00 0.00 66.02 64.86 1wuz s SER 8 CO 0.13 0.05 0.12 -0.51 0.41 0.00 0.00 173.24 173.44 1wuz s ILE 9 N 1.01 -0.19 0.28 1.44 2.07 -1.05 -4.43 121.20 120.34 1wuz s ILE 9 Ca -0.02 0.20 -0.29 0.00 -1.41 0.00 0.00 60.65 59.13 1wuz s ILE 9 Cb -0.15 -0.37 -0.10 0.00 0.13 0.00 0.00 42.46 41.98 1wuz s ILE 9 CO -0.06 0.01 1.25 -2.16 -1.91 0.00 0.00 174.94 172.08 1wuz s PRO 10 N 2.23 4.44 0.95 3.50 0.04 -1.26 -2.07 135.00 142.83 1wuz s PRO 10 Ca 0.04 2.05 -0.14 0.00 0.04 0.00 0.00 61.00 62.99 1wuz s PRO 10 Cb -0.13 -3.14 -0.02 0.00 0.04 0.00 0.00 34.50 31.24 1wuz s PRO 10 CO -0.07 -0.10 0.05 0.39 0.04 0.00 0.00 177.00 177.32 1wuz n GLU 11 N 1.46 -0.18 -2.71 4.56 1.02 -0.86 -2.99 120.64 120.95 1wuz n GLU 11 Ca 0.02 -0.02 -0.17 0.00 -0.02 0.00 0.00 57.16 56.96 1wuz n GLU 11 Cb 0.43 -1.60 0.02 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 -0.39 -3.19 -2.64 3.49 2.13 -1.07 -4.87 120.64 114.10 1wuz n GLU 12 Ca 0.04 0.74 -0.42 0.00 0.66 0.00 0.00 57.16 58.19 1wuz n GLU 12 Cb 0.54 -5.20 -0.03 0.00 0.27 0.00 0.00 31.44 27.02 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 -2.99 2.85 0.73 4.31 0.00 -1.16 -4.83 121.76 120.67 1wuz s ALA 13 Ca 0.17 -1.77 -0.16 0.00 0.00 0.00 0.00 51.96 50.20 1wuz s ALA 13 Cb -0.08 -4.24 -0.02 0.00 0.00 0.00 0.00 23.12 18.78 1wuz s ALA 13 CO 0.22 -3.25 0.67 0.36 0.00 0.00 0.00 175.76 173.75 1wuz n LYS 14 N 8.75 0.35 -1.69 0.00 2.85 -1.26 -4.49 118.16 122.67 1wuz n LYS 14 Ca 0.10 0.16 -0.53 0.00 -1.05 0.00 0.00 58.31 57.00 1wuz n LYS 14 Cb 0.49 -1.96 -0.06 0.00 -0.65 0.00 0.00 35.03 32.85 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 -2.45 2.18 0.00 5.58 8.25 -1.26 -1.34 115.22 126.16 1wuz n HIS 15 Ca 0.11 0.26 0.00 0.00 -0.26 0.00 0.00 57.72 57.83 1wuz n HIS 15 Cb 0.50 -2.56 0.00 0.00 1.12 0.00 0.00 29.99 29.04 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 4.41 1.07 3.78 -1.41 0.00 -0.90 -4.92 105.19 107.21 1wuz n GLY 16 Ca 0.25 0.00 -0.37 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 4.20 0.42 2.61 2.01 -0.45 -4.63 115.64 117.80 1wuz s THR 17 Ca 0.00 1.86 -0.26 0.00 0.31 0.00 0.00 61.69 63.60 1wuz s THR 17 Cb 0.00 -4.06 -0.09 0.00 0.01 0.00 0.00 72.50 68.37 1wuz s THR 17 CO 0.00 0.20 1.37 0.12 -0.69 0.00 0.00 174.62 175.62 1wuz s PHE 18 N -1.55 2.65 0.00 4.92 5.36 -1.26 -1.71 117.98 126.39 1wuz s PHE 18 Ca 0.49 1.32 0.00 0.00 -0.96 0.00 0.00 56.93 57.78 1wuz s PHE 18 Cb -0.20 -3.81 0.00 0.00 -0.34 0.00 0.00 43.02 38.67 1wuz s PHE 18 CO 0.25 -2.54 0.00 0.28 -1.46 0.00 0.00 175.22 171.75 1wuz n VAL 19 N 0.04 0.00 0.00 3.12 0.31 -0.67 -4.75 118.33 116.38 1wuz n VAL 19 Ca 0.04 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.37 1wuz n VAL 19 Cb 0.42 -1.05 0.00 0.00 -0.91 0.00 0.00 33.84 32.30 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 2.35 2.90 3.51 2.92 0.00 -1.25 -1.97 105.19 113.65 1wuz n GLY 20 Ca 0.00 0.07 -0.40 0.00 0.00 0.00 0.00 46.02 45.69 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 -0.03 0.49 -0.06 1.61 1.74 -1.26 -3.58 116.66 115.56 1wuz n ARG 21 Ca 0.00 0.02 -0.15 0.00 -0.77 0.00 0.00 57.85 56.95 1wuz n ARG 21 Cb 0.00 -2.34 -0.06 0.00 -1.02 0.00 0.00 32.46 29.04 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 7.80 1.32 -0.23 0.55 2.10 -1.88 -2.42 117.51 124.75 1wuz h ILE 22 Ca -0.14 -1.65 -0.15 0.00 1.08 0.00 0.00 64.86 63.99 1wuz h ILE 22 Cb 1.30 1.87 -0.01 0.00 -1.09 0.00 0.00 36.82 38.89 1wuz h ILE 22 CO 1.27 0.51 -0.49 0.00 -1.08 0.00 0.00 178.15 178.36 1wuz h ALA 23 N 0.60 0.72 -0.45 0.18 0.00 -1.87 -2.42 119.26 116.02 1wuz h ALA 23 Ca 0.00 -0.48 -0.04 0.00 0.00 0.00 0.00 54.91 54.39 1wuz h ALA 23 Cb 1.03 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.70 1wuz h ALA 23 CO 0.09 0.67 0.13 0.37 0.00 0.00 0.00 179.25 180.51 1wuz h GLN 24 N 0.48 0.71 0.00 0.00 -0.00 -1.87 0.27 115.11 114.70 1wuz h GLN 24 Ca 0.02 -0.16 0.00 0.00 -0.00 0.00 0.00 58.65 58.51 1wuz h GLN 24 Cb 1.03 -0.10 0.00 0.00 0.00 0.00 0.00 27.48 28.41 1wuz h GLN 24 CO 0.10 0.69 0.00 -0.25 0.00 0.00 0.00 178.83 179.37 1wuz n ASP 25 N -4.53 0.03 -0.08 -0.69 9.92 -0.91 -3.26 116.55 117.03 1wuz n ASP 25 Ca 0.01 0.51 -0.19 0.00 -0.53 0.00 0.00 54.79 54.58 1wuz n ASP 25 Cb 0.20 -0.51 -0.13 0.00 -0.64 0.00 0.00 41.12 40.04 1wuz n ASP 25 CO 0.00 0.00 0.00 0.18 0.13 0.00 0.00 177.20 177.51 1wuz n LEU 26 N -1.53 2.76 -0.70 0.64 4.32 -0.80 -4.79 117.00 116.90 1wuz n LEU 26 Ca 0.05 -0.00 0.00 0.00 -0.02 0.00 0.00 56.01 56.04 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 0.89 0.00 0.61 -1.22 0.00 0.00 177.39 177.88 1wuz n GLY 27 N 2.15 0.50 3.35 -0.72 0.00 0.88 -4.76 105.19 106.59 1wuz n GLY 27 Ca -0.40 -0.33 -0.18 0.00 0.00 0.00 0.00 46.02 45.11 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 -1.39 1.94 0.01 0.99 1.43 -1.20 -5.09 118.68 115.37 1wuz s LEU 28 Ca 0.00 -1.33 -0.20 0.00 -1.03 0.00 0.00 54.13 51.57 1wuz s LEU 28 Cb 0.00 -0.16 -0.06 0.00 0.03 0.00 0.00 46.19 46.01 1wuz s LEU 28 CO 0.00 -0.64 0.60 -1.61 0.23 0.00 0.00 176.35 174.93 1wuz s GLU 29 N -3.95 4.30 0.16 1.70 8.01 -1.26 -4.85 118.70 122.81 1wuz s GLU 29 Ca 0.34 0.75 -0.11 0.00 0.01 0.00 0.00 54.97 55.96 1wuz s GLU 29 Cb 0.07 -3.32 0.02 0.00 -4.31 0.00 0.00 34.13 26.59 1wuz s GLU 29 CO 0.12 0.41 1.57 -0.07 0.01 0.00 0.00 175.26 177.31 1wuz h LEU 30 N 5.43 0.97 -0.35 1.80 -0.00 -1.91 -2.39 115.31 118.86 1wuz h LEU 30 Ca -0.46 -0.36 0.00 0.00 -0.00 0.00 0.00 57.88 57.06 1wuz h LEU 30 Cb 1.20 -0.27 0.00 0.00 -0.00 0.00 0.00 40.66 41.60 1wuz h LEU 30 CO 0.68 1.11 0.00 0.41 -0.00 0.00 0.00 178.44 180.64 1wuz n THR 31 N -4.19 0.05 0.03 0.22 -1.04 -1.26 -3.10 114.28 104.99 1wuz n THR 31 Ca 0.01 -0.11 0.03 0.00 -2.04 0.00 0.00 64.05 61.94 1wuz n THR 31 Cb 0.40 -0.09 0.05 0.00 -1.82 0.00 0.00 70.33 68.87 1wuz n THR 31 CO 0.00 0.00 0.00 1.21 -0.64 0.00 0.00 175.07 175.64 1wuz n GLU 32 N -0.47 1.75 -0.16 -2.82 4.07 -0.93 -4.63 120.64 117.46 1wuz n GLU 32 Ca 0.16 -1.41 -0.12 0.00 -0.06 0.00 0.00 57.16 55.73 1wuz n GLU 32 Cb 0.16 -1.12 -0.00 0.00 -0.06 0.00 0.00 31.44 30.41 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 1.01 1.00 0.23 4.31 3.38 -1.40 -1.87 115.31 121.97 1wuz h LEU 33 Ca 0.00 -0.40 0.01 0.00 0.09 0.00 0.00 57.88 57.58 1wuz h LEU 33 Cb 0.47 -0.28 -0.04 0.00 0.09 0.00 0.00 40.66 40.90 1wuz h LEU 33 CO 0.00 1.18 -0.43 0.58 0.09 0.00 0.00 178.44 179.86 1wuz h VAL 34 N 0.83 0.14 0.00 1.22 2.07 -1.82 -1.44 116.25 117.25 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 0.79 0.14 0.00 0.00 -1.52 0.00 0.00 31.29 30.71 1wuz h VAL 34 CO 0.07 0.00 0.00 1.55 0.02 0.00 0.00 177.57 179.21 1wuz h PRO 35 N -0.74 0.00 -0.07 1.57 0.13 -1.88 -2.26 132.00 128.75 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 0.72 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.85 1wuz h PRO 35 CO -0.18 0.00 0.00 0.54 -0.23 0.00 0.00 178.00 178.13 1wuz n ARG 36 N -2.38 1.70 -3.71 0.86 3.00 -0.62 -4.92 116.66 110.59 1wuz n ARG 36 Ca 0.02 -1.03 -0.28 0.00 -0.01 0.00 0.00 57.85 56.55 1wuz n ARG 36 Cb 0.24 -1.45 0.03 0.00 0.00 0.00 0.00 32.46 31.28 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 0.25 -2.94 -4.75 0.55 7.99 -0.74 -2.25 117.00 115.11 1wuz n LEU 37 Ca 0.18 -0.97 -0.40 0.00 -0.01 0.00 0.00 56.01 54.81 1wuz n LEU 37 Cb 0.35 -2.45 -0.05 0.00 -0.11 0.00 0.00 43.42 41.16 1wuz n LEU 37 CO 0.15 0.43 0.53 0.12 -1.51 0.00 0.00 177.39 177.11 1wuz s PHE 38 N -3.59 3.81 -0.12 -1.77 2.19 -1.02 -2.38 117.98 115.11 1wuz s PHE 38 Ca 0.31 1.62 -0.25 0.00 0.33 0.00 0.00 56.93 58.94 1wuz s PHE 38 Cb -0.10 -2.87 0.06 0.00 -1.31 0.00 0.00 43.02 38.80 1wuz s PHE 38 CO 0.85 0.33 0.60 1.03 1.83 0.00 0.00 175.22 179.87 1wuz s ARG 39 N -0.40 0.87 -0.06 10.12 1.81 0.03 -4.98 118.95 126.33 1wuz s ARG 39 Ca 0.40 0.44 -0.03 0.00 -1.72 0.00 0.00 55.73 54.82 1wuz s ARG 39 Cb -0.22 0.41 -0.04 0.00 -0.45 0.00 0.00 34.95 34.65 1wuz s ARG 39 CO 0.26 -0.21 0.09 0.08 -0.68 0.00 0.00 175.30 174.84 1wuz s VAL 40 N -0.59 4.93 0.03 3.52 1.01 -1.26 -0.66 120.40 127.38 1wuz s VAL 40 Ca -0.07 -0.15 -0.11 0.00 0.00 0.00 0.00 61.98 61.66 1wuz s VAL 40 Cb -0.03 -3.18 0.01 0.00 0.00 0.00 0.00 36.38 33.18 1wuz s VAL 40 CO 0.05 0.50 0.22 0.00 0.00 0.00 0.00 175.10 175.87 1wuz s ALA 41 N -1.08 -0.45 0.06 5.51 0.00 -0.73 -4.86 121.76 120.21 1wuz s ALA 41 Ca 0.18 -0.18 -0.06 0.00 0.00 0.00 0.00 51.96 51.91 1wuz s ALA 41 Cb -0.12 0.26 -0.01 0.00 0.00 0.00 0.00 23.12 23.25 1wuz s ALA 41 CO 0.08 -0.36 0.11 0.45 0.00 0.00 0.00 175.76 176.05 1wuz s SER 42 N -1.99 0.21 -0.19 0.00 0.15 -1.26 -1.84 113.70 108.79 1wuz s SER 42 Ca -0.06 -0.65 0.02 0.00 0.70 0.00 0.00 55.95 55.95 1wuz s SER 42 Cb -0.02 0.26 -0.22 0.00 -1.71 0.00 0.00 66.02 64.34 1wuz s SER 42 CO -0.03 -0.60 0.09 0.29 1.20 0.00 0.00 173.24 174.19 1wuz n LYS 43 N 0.35 0.69 0.00 5.44 5.02 -1.26 -3.51 118.16 124.89 1wuz n LYS 43 Ca -0.17 0.18 0.00 0.00 -2.02 0.00 0.00 58.31 56.31 1wuz n LYS 43 Cb 0.60 -1.61 0.00 0.00 -0.02 0.00 0.00 35.03 34.00 1wuz n LYS 43 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 1wuz n ASP 44 N -3.27 0.00 -0.00 4.39 9.92 -1.26 -4.48 116.55 121.85 1wuz n ASP 44 Ca -0.37 0.69 0.01 0.00 -0.53 0.00 0.00 54.79 54.59 1wuz n ASP 44 Cb 1.03 -0.19 -0.01 0.00 -0.64 0.00 0.00 41.12 41.31 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 -1.37 1.27 0.00 -1.24 0.00 -1.26 -5.01 116.66 109.06 1wuz n ARG 45 Ca 0.00 -0.01 0.00 0.00 -0.00 0.00 0.00 57.85 57.84 1wuz n ARG 45 Cb 0.00 -0.95 0.00 0.00 0.00 0.00 0.00 32.46 31.51 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 2.14 2.32 2.26 5.14 0.00 -1.23 -4.89 105.19 110.93 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 1.34 0.00 0.00 0.00 173.32 174.66 1wuz n ASP 47 N 0.00 1.07 -0.07 1.61 2.03 -1.26 -4.10 116.55 115.83 1wuz n ASP 47 Ca 0.00 -2.92 -0.22 0.00 0.52 0.00 0.00 54.79 52.17 1wuz n ASP 47 Cb 0.00 -0.64 -0.12 0.00 -0.72 0.00 0.00 41.12 39.64 1wuz n ASP 47 CO 0.00 0.00 0.00 0.18 -1.92 0.00 0.00 177.20 175.46 1wuz n LEU 48 N 1.01 2.32 -4.10 -2.67 4.77 -1.26 -4.32 117.00 112.74 1wuz n LEU 48 Ca 0.24 0.26 -0.14 0.00 -0.03 0.00 0.00 56.01 56.33 1wuz n LEU 48 Cb 0.53 -1.00 -0.05 0.00 -2.33 0.00 0.00 43.42 40.57 1wuz n LEU 48 CO 0.23 0.63 0.10 -0.76 -1.33 0.00 0.00 177.39 176.26 1wuz s LEU 49 N -7.33 1.02 -0.10 2.23 1.02 -1.26 -2.37 118.68 111.89 1wuz s LEU 49 Ca -0.28 -1.46 -0.18 0.00 0.02 0.00 0.00 54.13 52.23 1wuz s LEU 49 Cb 0.08 1.36 0.04 0.00 0.02 0.00 0.00 46.19 47.68 1wuz s LEU 49 CO 0.65 -1.24 0.43 -1.61 0.02 0.00 0.00 176.35 174.60 1wuz s GLU 50 N -3.23 0.65 -0.01 1.70 0.41 -1.07 -4.76 118.70 112.39 1wuz s GLU 50 Ca 0.31 0.29 -0.07 0.00 -0.41 0.00 0.00 54.97 55.09 1wuz s GLU 50 Cb 0.00 0.30 -0.05 0.00 -1.78 0.00 0.00 34.13 32.61 1wuz s GLU 50 CO 0.19 -0.14 0.25 0.54 -0.49 0.00 0.00 175.26 175.61 1wuz s VAL 51 N -0.51 5.33 -0.24 2.63 0.11 -1.26 -2.36 120.40 124.10 1wuz s VAL 51 Ca -0.06 0.17 -0.11 0.00 -2.93 0.00 0.00 61.98 59.04 1wuz s VAL 51 Cb -0.03 -3.55 -0.05 0.00 -1.53 0.00 0.00 36.38 31.22 1wuz s VAL 51 CO 0.03 0.41 0.20 0.21 -3.33 0.00 0.00 175.10 172.62 1wuz s ASN 52 N -1.60 6.14 0.00 3.54 2.47 -1.05 -4.95 114.94 119.49 1wuz s ASN 52 Ca 0.25 0.14 0.17 0.00 0.42 0.00 0.00 52.86 53.84 1wuz s ASN 52 Cb -0.13 -2.13 0.76 0.00 -1.45 0.00 0.00 41.25 38.30 1wuz s ASN 52 CO 0.14 0.02 1.53 0.18 -3.72 0.00 0.00 177.10 175.25 1wuz n LEU 53 N 4.51 0.00 0.34 3.21 4.32 -1.26 -0.06 117.00 128.06 1wuz n LEU 53 Ca -0.14 0.44 -0.14 0.00 -0.02 0.00 0.00 56.01 56.16 1wuz n LEU 53 Cb 0.52 -0.44 -0.06 0.00 -1.62 0.00 0.00 43.42 41.81 1wuz n LEU 53 CO 0.35 -0.19 0.44 -0.61 -1.22 0.00 0.00 177.39 176.17 1wuz h GLN 54 N 0.00 -0.86 0.00 3.23 4.15 -1.92 -3.41 115.11 116.31 1wuz h GLN 54 Ca 0.00 0.06 -0.01 0.00 0.77 0.00 0.00 58.65 59.47 1wuz h GLN 54 Cb 0.26 0.19 -0.00 0.00 0.21 0.00 0.00 27.48 28.14 1wuz h GLN 54 CO 0.00 -0.57 -1.13 0.09 -1.93 0.00 0.00 178.83 175.29 1wuz n ASN 55 N -4.76 4.42 0.00 -0.69 3.02 -1.23 -4.98 115.26 111.03 1wuz n ASN 55 Ca -0.11 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.44 1wuz n ASN 55 Cb 0.35 0.98 0.00 0.00 -0.61 0.00 0.00 39.78 40.51 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 2.47 2.23 3.60 7.41 0.00 0.91 -4.93 105.19 116.88 1wuz n GLY 56 Ca -0.01 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.62 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 -1.40 3.13 -3.49 -0.61 0.13 -1.26 -3.75 119.36 112.10 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 -1.10 -0.10 0.00 -0.84 0.00 0.00 39.64 37.60 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 -1.24 4.06 0.27 9.51 1.98 -1.23 -2.53 118.68 129.49 1wuz s LEU 58 Ca 0.71 0.19 0.09 0.00 -2.89 0.00 0.00 54.13 52.23 1wuz s LEU 58 Cb -0.46 -2.29 -0.04 0.00 0.66 0.00 0.00 46.19 44.06 1wuz s LEU 58 CO 0.51 -0.09 0.06 0.72 -1.89 0.00 0.00 176.35 175.66 1wuz s PHE 59 N 1.74 2.79 0.38 5.38 -0.71 -0.99 -1.67 117.98 124.90 1wuz s PHE 59 Ca 0.12 -0.21 -0.25 0.00 -1.04 0.00 0.00 56.93 55.54 1wuz s PHE 59 Cb -0.15 -1.29 -0.09 0.00 -1.21 0.00 0.00 43.02 40.28 1wuz s PHE 59 CO 0.09 0.57 1.10 0.08 -1.34 0.00 0.00 175.22 175.72 1wuz s VAL 60 N -2.29 3.48 -0.31 -2.49 1.01 -0.69 -2.61 120.40 116.49 1wuz s VAL 60 Ca 0.32 1.22 0.18 0.00 0.00 0.00 0.00 61.98 63.71 1wuz s VAL 60 Cb -0.06 -3.68 0.46 0.00 0.00 0.00 0.00 36.38 33.10 1wuz s VAL 60 CO 0.21 0.10 1.17 -3.20 0.00 0.00 0.00 175.10 173.38 1wuz n ASN 61 N 0.19 0.55 -0.92 3.32 2.85 -1.00 -2.12 115.26 118.12 1wuz n ASN 61 Ca 0.04 -2.33 0.00 0.00 -0.11 0.00 0.00 54.58 52.18 1wuz n ASN 61 Cb 0.48 -0.10 0.00 0.00 1.24 0.00 0.00 39.78 41.40 1wuz n ASN 61 CO 0.00 0.00 0.00 -0.24 -2.11 0.00 0.00 177.26 174.91 1wuz n SER 62 N -0.59 0.00 -4.63 1.20 2.88 -1.03 -4.19 113.62 107.26 1wuz n SER 62 Ca 0.02 -0.92 -0.43 0.00 -1.33 0.00 0.00 58.87 56.21 1wuz n SER 62 Cb 0.83 0.00 -0.02 0.00 -0.75 0.00 0.00 64.21 64.26 1wuz n SER 62 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1wuz s ARG 63 N -1.77 4.01 -0.01 -1.46 1.70 -1.26 -4.72 118.95 115.44 1wuz s ARG 63 Ca 0.00 0.94 0.12 0.00 -0.47 0.00 0.00 55.73 56.32 1wuz s ARG 63 Cb 0.00 -3.75 -0.17 0.00 -0.57 0.00 0.00 34.95 30.45 1wuz s ARG 63 CO 0.00 -0.92 0.33 -0.89 -1.08 0.00 0.00 175.30 172.75 1wuz n ILE 64 N 5.91 0.00 -1.25 4.99 2.08 -1.26 -4.27 119.36 125.56 1wuz n ILE 64 Ca 0.11 -0.26 -0.39 0.00 0.56 0.00 0.00 62.75 62.77 1wuz n ILE 64 Cb 0.47 0.45 0.02 0.00 -0.75 0.00 0.00 39.64 39.83 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 -1.73 -3.51 -0.10 4.38 8.00 -1.26 -2.59 116.55 119.73 1wuz n ASP 65 Ca -0.01 0.63 -0.05 0.00 0.71 0.00 0.00 54.79 56.07 1wuz n ASP 65 Cb 0.28 -0.88 0.14 0.00 -0.02 0.00 0.00 41.12 40.63 1wuz n ASP 65 CO 0.00 0.00 0.00 -0.09 -0.39 0.00 0.00 177.20 176.72 1wuz h ARG 66 N -0.06 0.79 0.00 -1.24 1.12 -1.89 0.33 114.38 113.43 1wuz h ARG 66 Ca -0.42 -0.24 -0.12 0.00 -1.11 0.00 0.00 59.98 58.09 1wuz h ARG 66 Cb 1.43 -0.08 -0.02 0.00 -0.01 0.00 0.00 29.97 31.30 1wuz h ARG 66 CO 0.41 0.84 -0.57 0.93 -3.11 0.00 0.00 179.97 178.47 1wuz h GLU 67 N 0.72 0.00 0.00 0.20 5.08 -1.88 0.32 114.58 119.02 1wuz h GLU 67 Ca 0.13 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.47 1wuz h GLU 67 Cb 0.54 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.79 1wuz h GLU 67 CO 0.03 0.57 -0.21 0.93 -1.00 0.00 0.00 179.01 179.34 1wuz h GLU 68 N 0.00 0.00 -0.07 2.33 4.39 -1.82 -3.40 114.58 116.01 1wuz h GLU 68 Ca -0.01 0.00 0.01 0.00 0.34 0.00 0.00 59.36 59.71 1wuz h GLU 68 Cb 1.43 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 30.06 1wuz h GLU 68 CO 0.07 0.37 -0.16 1.25 -1.16 0.00 0.00 179.01 179.38 1wuz h LEU 69 N -1.00 -0.53 0.00 1.33 7.12 -0.49 -3.46 115.31 118.29 1wuz h LEU 69 Ca -0.03 0.06 0.00 0.00 0.13 0.00 0.00 57.88 58.04 1wuz h LEU 69 Cb 0.48 0.21 0.00 0.00 -0.53 0.00 0.00 40.66 40.82 1wuz h LEU 69 CO -0.02 -0.13 0.00 0.00 -0.13 0.00 0.00 178.44 178.16 1wuz n GLY 71 N -0.61 0.65 0.00 0.00 0.00 0.11 -4.85 105.19 100.48 1wuz n GLY 71 Ca 0.00 -0.09 0.00 0.00 0.00 0.00 0.00 46.02 45.93 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 -0.87 0.00 -2.98 1.61 1.74 -1.26 -4.95 116.66 109.94 1wuz n ARG 72 Ca -0.06 0.27 -0.18 0.00 -0.77 0.00 0.00 57.85 57.11 1wuz n ARG 72 Cb 0.43 -0.89 0.02 0.00 -1.02 0.00 0.00 32.46 30.99 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 -2.05 5.57 0.58 0.55 0.15 -1.26 -4.98 113.70 112.26 1wuz s SER 73 Ca 0.00 -0.43 0.28 0.00 0.70 0.00 0.00 55.95 56.50 1wuz s SER 73 Cb 0.00 -0.58 1.52 0.00 -1.71 0.00 0.00 66.02 65.25 1wuz s SER 73 CO 0.00 -0.85 1.99 0.00 1.20 0.00 0.00 173.24 175.58 1wuz h ALA 74 N 0.55 2.13 -1.64 5.45 0.00 -1.95 -3.43 119.26 120.37 1wuz h ALA 74 Ca -0.39 -0.01 -0.55 0.00 0.00 0.00 0.00 54.91 53.96 1wuz h ALA 74 Cb 1.28 0.03 -0.13 0.00 0.00 0.00 0.00 17.79 18.97 1wuz h ALA 74 CO 0.45 -0.56 -0.53 -2.00 0.00 0.00 0.00 179.25 176.61 1wuz s GLU 75 N -4.72 1.89 -0.28 0.00 2.12 -1.26 -4.41 118.70 112.05 1wuz s GLU 75 Ca -0.05 -2.14 -0.19 0.00 0.36 0.00 0.00 54.97 52.96 1wuz s GLU 75 Cb 0.16 -0.69 0.09 0.00 0.26 0.00 0.00 34.13 33.95 1wuz s GLU 75 CO 0.59 -0.43 0.76 0.00 -0.54 0.00 0.00 175.26 175.64 1wuz s SER 77 N 1.24 5.81 -0.01 0.00 0.15 -1.26 -2.44 113.70 117.18 1wuz s SER 77 Ca -0.07 0.26 0.05 0.00 0.70 0.00 0.00 55.95 56.89 1wuz s SER 77 Cb -0.05 -1.74 -0.01 0.00 -1.71 0.00 0.00 66.02 62.51 1wuz s SER 77 CO -0.14 0.34 -0.17 -0.63 1.20 0.00 0.00 173.24 173.84 1wuz s ILE 78 N -1.07 1.36 -0.02 6.45 1.09 -0.68 -5.02 121.20 123.31 1wuz s ILE 78 Ca 0.18 -0.73 0.04 0.00 -1.10 0.00 0.00 60.65 59.04 1wuz s ILE 78 Cb -0.12 -1.13 -0.03 0.00 -1.06 0.00 0.00 42.46 40.12 1wuz s ILE 78 CO 0.08 0.39 -0.14 -1.00 -0.10 0.00 0.00 174.94 174.17 1wuz s HIS 79 N -0.39 2.70 0.04 3.97 3.76 -1.26 -1.91 115.29 122.21 1wuz s HIS 79 Ca 0.06 -0.16 -0.04 0.00 -0.15 0.00 0.00 55.06 54.77 1wuz s HIS 79 Cb -0.07 -1.59 -0.02 0.00 1.11 0.00 0.00 32.58 32.01 1wuz s HIS 79 CO -0.01 0.23 0.07 -1.17 -0.85 0.00 0.00 174.74 173.01 1wuz s LEU 80 N -0.98 1.94 -0.15 0.89 0.20 0.94 -4.69 118.68 116.82 1wuz s LEU 80 Ca 0.13 -0.64 -0.01 0.00 0.69 0.00 0.00 54.13 54.31 1wuz s LEU 80 Cb -0.11 0.52 0.04 0.00 -0.43 0.00 0.00 46.19 46.22 1wuz s LEU 80 CO 0.03 -0.53 -0.03 -1.61 -0.29 0.00 0.00 176.35 173.91 1wuz s GLU 81 N -2.90 1.21 -0.47 1.98 8.01 -0.77 -2.30 118.70 123.46 1wuz s GLU 81 Ca -0.02 -0.39 -0.21 0.00 0.01 0.00 0.00 54.97 54.35 1wuz s GLU 81 Cb 0.01 -1.84 0.03 0.00 -4.31 0.00 0.00 34.13 28.02 1wuz s GLU 81 CO -0.06 -0.43 0.69 0.08 0.01 0.00 0.00 175.26 175.55 1wuz s VAL 82 N 1.72 4.76 0.12 2.63 1.01 -1.04 -1.78 120.40 127.82 1wuz s VAL 82 Ca 0.01 0.02 -0.29 0.00 0.00 0.00 0.00 61.98 61.72 1wuz s VAL 82 Cb -0.15 -4.28 -0.06 0.00 0.00 0.00 0.00 36.38 31.88 1wuz s VAL 82 CO -0.07 -0.73 0.91 -0.51 0.00 0.00 0.00 175.10 174.70 1wuz s ILE 83 N 2.97 4.47 0.01 2.22 -1.16 0.16 -1.58 121.20 128.29 1wuz s ILE 83 Ca 0.22 1.97 -0.14 0.00 -0.51 0.00 0.00 60.65 62.20 1wuz s ILE 83 Cb -0.15 -4.27 0.02 0.00 0.61 0.00 0.00 42.46 38.66 1wuz s ILE 83 CO 0.18 0.36 0.29 0.68 -2.81 0.00 0.00 174.94 173.64 1wuz s VAL 84 N -0.25 0.07 -0.29 4.00 -7.23 -0.72 -0.79 120.40 115.20 1wuz s VAL 84 Ca 0.44 -0.59 0.08 0.00 -1.81 0.00 0.00 61.98 60.11 1wuz s VAL 84 Cb -0.23 -0.72 0.46 0.00 0.56 0.00 0.00 36.38 36.45 1wuz s VAL 84 CO 0.29 -0.32 1.34 -0.67 -0.31 0.00 0.00 175.10 175.43 1wuz n ASP 85 N 1.03 3.17 0.00 4.85 -0.08 -0.96 -1.48 116.55 123.09 1wuz n ASP 85 Ca -0.21 -3.82 0.00 0.00 -1.51 0.00 0.00 54.79 49.25 1wuz n ASP 85 Cb 0.57 -0.54 0.00 0.00 2.34 0.00 0.00 41.12 43.49 1wuz n ASP 85 CO 0.00 0.00 0.00 0.54 0.12 0.00 0.00 177.20 177.86 1wuz n ARG 86 N -1.00 0.00 -1.71 -0.67 1.74 -1.12 -4.25 116.66 109.65 1wuz n ARG 86 Ca 0.33 0.00 -0.33 0.00 -0.77 0.00 0.00 57.85 57.08 1wuz n ARG 86 Cb 0.88 0.00 0.05 0.00 -1.02 0.00 0.00 32.46 32.37 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 0.00 2.75 -0.74 5.56 0.04 -1.26 -4.84 135.00 136.50 1wuz s PRO 87 Ca 0.00 1.37 -0.26 0.00 0.04 0.00 0.00 61.00 62.15 1wuz s PRO 87 Cb 0.00 -1.95 0.01 0.00 0.04 0.00 0.00 34.50 32.61 1wuz s PRO 87 CO 0.00 -1.29 1.51 -1.17 0.04 0.00 0.00 177.00 176.10 1wuz s LEU 88 N -4.96 3.24 0.00 -3.56 0.20 -1.26 -4.61 118.68 107.72 1wuz s LEU 88 Ca 0.66 -0.34 0.00 0.00 0.69 0.00 0.00 54.13 55.15 1wuz s LEU 88 Cb -0.20 -2.55 0.00 0.00 -0.43 0.00 0.00 46.19 43.01 1wuz s LEU 88 CO 0.43 -2.02 0.00 0.00 -0.29 0.00 0.00 176.35 174.47 1wuz n GLN 89 N 9.24 -1.53 -4.35 1.98 1.13 -0.55 -4.98 117.38 118.32 1wuz n GLN 89 Ca 0.14 0.00 -0.27 0.00 -1.94 0.00 0.00 57.00 54.93 1wuz n GLN 89 Cb 0.50 0.00 -0.10 0.00 0.11 0.00 0.00 30.24 30.75 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 -2.82 2.80 -0.14 5.09 1.01 -1.26 -1.76 120.40 123.32 1wuz s VAL 90 Ca 0.00 -1.83 -0.01 0.00 0.00 0.00 0.00 61.98 60.14 1wuz s VAL 90 Cb 0.00 -2.37 -0.01 0.00 0.00 0.00 0.00 36.38 34.00 1wuz s VAL 90 CO 0.00 -0.11 -0.12 -0.36 0.00 0.00 0.00 175.10 174.51 1wuz s PHE 91 N -1.69 2.84 -0.15 5.22 0.08 -0.62 -4.92 117.98 118.75 1wuz s PHE 91 Ca 0.23 -0.68 -0.29 0.00 0.12 0.00 0.00 56.93 56.31 1wuz s PHE 91 Cb -0.08 -1.88 -0.03 0.00 -0.57 0.00 0.00 43.02 40.46 1wuz s PHE 91 CO 0.13 -0.25 1.43 -1.58 -0.10 0.00 0.00 175.22 174.85 1wuz s HIS 92 N 0.49 2.47 -0.09 0.36 2.46 -0.52 -2.49 115.29 117.98 1wuz s HIS 92 Ca -0.08 0.69 0.01 0.00 0.47 0.00 0.00 55.06 56.15 1wuz s HIS 92 Cb -0.16 -3.73 0.02 0.00 -0.13 0.00 0.00 32.58 28.58 1wuz s HIS 92 CO 0.04 -2.51 -0.10 0.08 -2.47 0.00 0.00 174.74 169.77 1wuz s VAL 93 N 3.98 1.09 -0.17 0.89 1.01 -0.97 -0.97 120.40 125.26 1wuz s VAL 93 Ca 0.63 -0.40 -0.01 0.00 0.00 0.00 0.00 61.98 62.20 1wuz s VAL 93 Cb -0.25 -1.04 0.05 0.00 0.00 0.00 0.00 36.38 35.13 1wuz s VAL 93 CO 0.22 0.36 -0.02 -1.61 0.00 0.00 0.00 175.10 174.05 1wuz s GLU 94 N 1.11 1.13 -0.17 2.72 8.01 -0.02 -0.04 118.70 131.44 1wuz s GLU 94 Ca -0.06 -0.45 -0.05 0.00 0.01 0.00 0.00 54.97 54.42 1wuz s GLU 94 Cb -0.14 -1.95 -0.03 0.00 -4.31 0.00 0.00 34.13 27.70 1wuz s GLU 94 CO -0.02 -0.49 -0.00 0.14 0.01 0.00 0.00 175.26 174.91 1wuz s VAL 95 N 1.72 4.20 0.15 2.63 -7.23 -0.80 -1.65 120.40 119.43 1wuz s VAL 95 Ca 0.00 -0.24 0.04 0.00 -1.81 0.00 0.00 61.98 59.97 1wuz s VAL 95 Cb -0.16 -2.87 -0.04 0.00 0.56 0.00 0.00 36.38 33.88 1wuz s VAL 95 CO -0.07 0.48 0.17 -1.61 -0.31 0.00 0.00 175.10 173.75 1wuz s GLU 96 N 0.41 3.02 0.00 4.82 8.01 -1.10 -1.68 118.70 132.18 1wuz s GLU 96 Ca -0.01 -0.80 -0.17 0.00 0.01 0.00 0.00 54.97 54.00 1wuz s GLU 96 Cb -0.14 -2.72 -0.06 0.00 -4.31 0.00 0.00 34.13 26.90 1wuz s GLU 96 CO 0.02 0.50 0.49 0.14 0.01 0.00 0.00 175.26 176.41 1wuz s VAL 97 N -1.72 4.95 -0.32 2.63 -7.23 -1.02 -2.52 120.40 115.17 1wuz s VAL 97 Ca 0.32 1.01 -0.01 0.00 -1.81 0.00 0.00 61.98 61.49 1wuz s VAL 97 Cb -0.10 -3.81 0.07 0.00 0.56 0.00 0.00 36.38 33.10 1wuz s VAL 97 CO 0.24 0.52 0.03 -0.60 -0.31 0.00 0.00 175.10 174.98 1wuz s ARG 98 N -0.74 2.24 0.00 4.82 3.00 -0.88 -4.62 118.95 122.77 1wuz s ARG 98 Ca 0.26 -1.43 0.00 0.00 -1.00 0.00 0.00 55.73 53.56 1wuz s ARG 98 Cb -0.17 -3.22 0.00 0.00 0.00 0.00 0.00 34.95 31.56 1wuz s ARG 98 CO 0.15 -0.72 0.00 -0.25 0.00 0.00 0.00 175.30 174.48 1wuz n ASP 99 N 4.56 0.00 -4.68 -2.12 9.92 -1.26 -2.03 116.55 120.93 1wuz n ASP 99 Ca -0.10 0.00 -0.25 0.00 -0.53 0.00 0.00 54.79 53.91 1wuz n ASP 99 Cb 0.43 0.00 -0.07 0.00 -0.64 0.00 0.00 41.12 40.84 1wuz n ASP 99 CO 0.00 0.00 0.00 -0.51 0.13 0.00 0.00 177.20 176.82 1wuz s ILE 100 N -2.72 3.78 0.07 0.53 2.07 -1.26 -4.90 121.20 118.78 1wuz s ILE 100 Ca 0.00 -1.51 -0.15 0.00 -1.41 0.00 0.00 60.65 57.58 1wuz s ILE 100 Cb 0.00 -2.94 -0.16 0.00 0.13 0.00 0.00 42.46 39.49 1wuz s ILE 100 CO 0.00 -0.19 1.28 -1.13 -1.91 0.00 0.00 174.94 172.99 1wuz h ASN 101 N 2.38 0.78 -0.32 4.50 -1.24 -1.90 -3.07 115.58 116.71 1wuz h ASN 101 Ca -0.47 -0.62 0.09 0.00 0.71 0.00 0.00 56.30 56.02 1wuz h ASN 101 Cb 1.22 -0.23 -0.01 0.00 0.73 0.00 0.00 38.32 40.03 1wuz h ASN 101 CO 0.59 1.27 0.30 -0.78 -1.29 0.00 0.00 177.43 177.52 1wuz h ASP 102 N 0.34 0.00 0.00 1.15 3.58 -1.97 -3.50 116.42 116.02 1wuz h ASP 102 Ca -0.03 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.42 1wuz h ASP 102 Cb 1.22 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.27 1wuz h ASP 102 CO 0.12 0.00 0.00 -3.20 -2.88 0.00 0.00 179.24 173.28