#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 5.54 0.00 1.61 3.84 -1.20 -5.02 114.94 119.70 1wuz s ASN 2 Ca 0.00 0.90 0.00 0.00 0.21 0.00 0.00 52.86 53.97 1wuz s ASN 2 Cb 0.00 -1.81 0.00 0.00 -0.55 0.00 0.00 41.25 38.89 1wuz s ASN 2 CO 0.00 -1.18 0.00 -1.20 -2.79 0.00 0.00 177.10 171.93 1wuz n SER 3 N -2.77 3.96 -4.42 -4.21 7.64 -1.26 -4.85 113.62 107.72 1wuz n SER 3 Ca 0.05 0.00 -0.44 0.00 1.01 0.00 0.00 58.87 59.50 1wuz n SER 3 Cb 0.57 0.07 -0.04 0.00 -1.01 0.00 0.00 64.21 63.80 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 -1.96 3.09 0.01 1.43 2.00 -1.26 -1.06 119.66 121.91 1wuz s GLN 4 Ca 0.00 -1.03 0.03 0.00 -2.00 0.00 0.00 55.36 52.36 1wuz s GLN 4 Cb 0.00 -4.22 -0.01 0.00 0.80 0.00 0.00 33.01 29.58 1wuz s GLN 4 CO 0.00 -1.60 -0.10 0.42 -0.50 0.00 0.00 175.29 173.52 1wuz s ILE 5 N 3.24 0.76 0.03 -2.34 -1.09 -0.58 -5.05 121.20 116.17 1wuz s ILE 5 Ca 0.17 -0.55 0.00 0.00 -2.23 0.00 0.00 60.65 58.03 1wuz s ILE 5 Cb -0.20 -0.66 -0.03 0.00 -1.58 0.00 0.00 42.46 39.99 1wuz s ILE 5 CO 0.09 0.11 -0.04 -1.38 -1.23 0.00 0.00 174.94 172.50 1wuz s HIS 6 N -0.43 0.40 0.31 3.97 -3.43 -1.26 -1.21 115.29 113.65 1wuz s HIS 6 Ca 0.02 -0.69 0.03 0.00 -0.80 0.00 0.00 55.06 53.62 1wuz s HIS 6 Cb -0.05 -0.28 -0.05 0.00 -1.43 0.00 0.00 32.58 30.77 1wuz s HIS 6 CO -0.00 -0.23 0.09 0.71 -2.00 0.00 0.00 174.74 173.31 1wuz s TYR 7 N -2.22 1.77 -0.04 0.38 2.02 -0.34 -4.92 117.35 114.01 1wuz s TYR 7 Ca -0.08 -1.11 0.05 0.00 -0.37 0.00 0.00 57.07 55.56 1wuz s TYR 7 Cb -0.04 -1.11 -0.01 0.00 -0.40 0.00 0.00 41.96 40.40 1wuz s TYR 7 CO -0.03 -0.19 -0.18 0.45 -1.57 0.00 0.00 175.55 174.02 1wuz s SER 8 N -3.44 2.26 -0.13 2.29 0.15 -0.86 -2.65 113.70 111.32 1wuz s SER 8 Ca 0.35 -0.37 -0.07 0.00 0.70 0.00 0.00 55.95 56.57 1wuz s SER 8 Cb 0.07 -0.54 0.05 0.00 -1.71 0.00 0.00 66.02 63.90 1wuz s SER 8 CO 0.15 0.18 0.31 -0.51 1.20 0.00 0.00 173.24 174.57 1wuz s ILE 9 N -0.10 -0.07 0.17 6.45 -1.16 -1.03 -4.30 121.20 121.16 1wuz s ILE 9 Ca -0.01 0.14 -0.30 0.00 -0.51 0.00 0.00 60.65 59.96 1wuz s ILE 9 Cb -0.11 -0.47 -0.08 0.00 0.61 0.00 0.00 42.46 42.40 1wuz s ILE 9 CO 0.02 0.06 1.32 -2.16 -2.81 0.00 0.00 174.94 171.36 1wuz s PRO 10 N 1.41 4.38 0.97 3.50 0.04 -1.26 -2.21 135.00 141.82 1wuz s PRO 10 Ca -0.09 2.04 -0.14 0.00 0.04 0.00 0.00 61.00 62.85 1wuz s PRO 10 Cb -0.10 -3.22 -0.02 0.00 0.04 0.00 0.00 34.50 31.21 1wuz s PRO 10 CO -0.10 -0.29 0.02 0.39 0.04 0.00 0.00 177.00 177.06 1wuz n GLU 11 N 3.00 -0.27 -1.89 4.56 1.02 -1.01 -2.65 120.64 123.40 1wuz n GLU 11 Ca 0.07 -0.05 -0.16 0.00 -0.02 0.00 0.00 57.16 57.00 1wuz n GLU 11 Cb 0.43 -1.60 -0.04 0.00 -0.02 0.00 0.00 31.44 30.21 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 -0.50 -1.22 -2.23 3.49 2.13 -1.11 -4.92 120.64 116.28 1wuz n GLU 12 Ca 0.04 0.93 -0.42 0.00 0.66 0.00 0.00 57.16 58.37 1wuz n GLU 12 Cb 0.55 -5.23 -0.03 0.00 0.27 0.00 0.00 31.44 27.00 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 -2.71 3.62 0.65 4.31 0.00 -1.08 -4.80 121.76 121.74 1wuz s ALA 13 Ca 0.00 0.75 -0.11 0.00 0.00 0.00 0.00 51.96 52.60 1wuz s ALA 13 Cb 0.00 -3.65 -0.02 0.00 0.00 0.00 0.00 23.12 19.45 1wuz s ALA 13 CO 0.00 -1.14 1.05 0.15 0.00 0.00 0.00 175.76 175.82 1wuz s LYS 14 N 3.26 3.33 -0.23 0.00 1.02 -1.26 -4.41 119.74 121.44 1wuz s LYS 14 Ca 0.63 0.63 -0.36 0.00 0.02 0.00 0.00 55.97 56.90 1wuz s LYS 14 Cb -0.29 -2.06 -0.12 0.00 -0.52 0.00 0.00 37.83 34.84 1wuz s LYS 14 CO 0.23 -0.73 1.96 0.72 -0.92 0.00 0.00 175.35 176.60 1wuz n HIS 15 N -2.83 2.01 0.00 3.18 8.25 -1.26 -0.93 115.22 123.63 1wuz n HIS 15 Ca 0.06 0.24 0.00 0.00 -0.26 0.00 0.00 57.72 57.76 1wuz n HIS 15 Cb 0.55 -2.57 0.00 0.00 1.12 0.00 0.00 29.99 29.10 1wuz n HIS 15 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1wuz n GLY 16 N 5.09 1.06 3.77 -1.41 0.00 -1.00 -4.97 105.19 107.73 1wuz n GLY 16 Ca 0.30 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.93 1wuz n GLY 16 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1wuz s THR 17 N -2.00 3.59 0.40 2.61 2.01 -0.11 -4.71 115.64 117.44 1wuz s THR 17 Ca 0.00 1.46 -0.27 0.00 0.31 0.00 0.00 61.69 63.20 1wuz s THR 17 Cb 0.00 -3.88 -0.09 0.00 0.01 0.00 0.00 72.50 68.54 1wuz s THR 17 CO 0.00 0.24 1.39 0.12 -0.69 0.00 0.00 174.62 175.68 1wuz s PHE 18 N -1.34 2.69 0.00 4.92 5.36 -1.26 -1.50 117.98 126.85 1wuz s PHE 18 Ca 0.49 1.31 0.00 0.00 -0.96 0.00 0.00 56.93 57.77 1wuz s PHE 18 Cb -0.28 -3.84 0.00 0.00 -0.34 0.00 0.00 43.02 38.56 1wuz s PHE 18 CO 0.36 -2.53 0.00 0.28 -1.46 0.00 0.00 175.22 171.87 1wuz n VAL 19 N 0.23 0.00 0.00 3.12 0.31 -0.49 -4.69 118.33 116.81 1wuz n VAL 19 Ca 0.03 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.36 1wuz n VAL 19 Cb 0.42 -0.71 0.00 0.00 -0.91 0.00 0.00 33.84 32.64 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 2.28 3.52 3.50 2.92 0.00 -1.23 -2.03 105.19 114.15 1wuz n GLY 20 Ca 0.00 -0.17 -0.42 0.00 0.00 0.00 0.00 46.02 45.43 1wuz n GLY 20 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 1wuz n ARG 21 N 0.00 0.62 -0.02 1.61 1.85 -1.26 -3.30 116.66 116.16 1wuz n ARG 21 Ca 0.00 0.06 -0.13 0.00 -1.00 0.00 0.00 57.85 56.79 1wuz n ARG 21 Cb 0.00 -2.42 -0.01 0.00 -1.05 0.00 0.00 32.46 28.98 1wuz n ARG 21 CO 0.00 0.00 0.00 0.97 -0.01 0.00 0.00 177.63 178.59 1wuz h ILE 22 N 7.65 1.31 0.13 8.89 2.10 -1.88 -2.53 117.51 133.18 1wuz h ILE 22 Ca -0.17 -1.87 -0.01 0.00 1.08 0.00 0.00 64.86 63.89 1wuz h ILE 22 Cb 1.30 1.83 0.00 0.00 -1.09 0.00 0.00 36.82 38.87 1wuz h ILE 22 CO 1.21 0.59 -0.06 0.00 -1.08 0.00 0.00 178.15 178.81 1wuz h ALA 23 N 0.79 -0.17 -0.61 0.18 0.00 -1.87 -2.01 119.26 115.57 1wuz h ALA 23 Ca -0.01 -0.23 0.09 0.00 0.00 0.00 0.00 54.91 54.76 1wuz h ALA 23 Cb 1.22 0.07 -0.07 0.00 0.00 0.00 0.00 17.79 19.01 1wuz h ALA 23 CO 0.13 -0.35 0.25 0.37 0.00 0.00 0.00 179.25 179.65 1wuz h GLN 24 N -0.67 0.43 0.00 0.00 -0.00 -1.80 0.24 115.11 113.32 1wuz h GLN 24 Ca -0.02 -0.03 0.00 0.00 -0.00 0.00 0.00 58.65 58.61 1wuz h GLN 24 Cb 0.51 -0.10 0.00 0.00 0.00 0.00 0.00 27.48 27.89 1wuz h GLN 24 CO 0.03 0.29 0.00 -0.44 0.00 0.00 0.00 178.83 178.71 1wuz h ASP 25 N 0.45 0.00 0.24 -0.69 5.19 -1.49 -2.96 116.42 117.16 1wuz h ASP 25 Ca 0.31 0.00 -0.34 0.00 -0.62 0.00 0.00 57.03 56.37 1wuz h ASP 25 Cb 0.35 0.00 0.01 0.00 0.18 0.00 0.00 39.33 39.87 1wuz h ASP 25 CO -0.29 0.00 -1.69 -0.07 -3.12 0.00 0.00 179.24 174.07 1wuz h LEU 26 N 0.00 0.60 0.00 1.55 4.07 0.12 -3.45 115.31 118.20 1wuz h LEU 26 Ca 0.00 -0.86 0.00 0.00 0.08 0.00 0.00 57.88 57.10 1wuz h LEU 26 Cb 0.46 -0.19 0.00 0.00 1.08 0.00 0.00 40.66 42.01 1wuz h LEU 26 CO 0.00 1.72 0.00 0.61 -1.08 0.00 0.00 178.44 179.69 1wuz n GLY 27 N 1.82 1.85 3.04 0.83 0.00 0.40 -3.27 105.19 109.86 1wuz n GLY 27 Ca -0.23 -0.02 -0.22 0.00 0.00 0.00 0.00 46.02 45.55 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 0.00 1.82 0.93 0.99 2.34 -1.18 -4.98 118.68 118.60 1wuz s LEU 28 Ca 0.00 -0.24 -0.10 0.00 0.06 0.00 0.00 54.13 53.85 1wuz s LEU 28 Cb 0.00 -0.69 0.15 0.00 -0.56 0.00 0.00 46.19 45.10 1wuz s LEU 28 CO 0.00 0.09 1.14 -1.83 -1.06 0.00 0.00 176.35 174.69 1wuz s GLU 29 N 0.15 0.91 0.40 1.48 -1.05 -1.26 -4.54 118.70 114.79 1wuz s GLU 29 Ca -0.03 1.52 0.29 0.00 -0.15 0.00 0.00 54.97 56.60 1wuz s GLU 29 Cb -0.10 -1.72 1.20 0.00 -0.44 0.00 0.00 34.13 33.07 1wuz s GLU 29 CO 0.01 -2.70 1.85 -0.07 0.95 0.00 0.00 175.26 175.31 1wuz h LEU 30 N -1.92 0.00 -1.67 1.83 -0.00 -1.93 -1.98 115.31 109.63 1wuz h LEU 30 Ca -0.44 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.44 1wuz h LEU 30 Cb 1.27 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.93 1wuz h LEU 30 CO 0.42 0.00 0.00 0.41 -0.00 0.00 0.00 178.44 179.27 1wuz n THR 31 N -2.64 0.25 -0.00 0.22 -1.04 -1.26 -3.96 114.28 105.85 1wuz n THR 31 Ca 0.01 -0.50 0.08 0.00 -2.04 0.00 0.00 64.05 61.60 1wuz n THR 31 Cb 0.26 0.82 -0.14 0.00 -1.82 0.00 0.00 70.33 69.45 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 0.91 0.65 -0.13 -2.82 -0.58 -0.75 -4.34 120.64 113.58 1wuz n GLU 32 Ca 0.17 -0.10 -0.10 0.00 -0.42 0.00 0.00 57.16 56.71 1wuz n GLU 32 Cb 0.48 -1.59 -0.02 0.00 -0.57 0.00 0.00 31.44 29.75 1wuz n GLU 32 CO 0.00 0.00 0.00 -0.07 -0.48 0.00 0.00 177.13 176.58 1wuz h LEU 33 N 0.00 0.64 0.16 -4.62 3.38 -1.68 -0.79 115.31 112.40 1wuz h LEU 33 Ca -0.08 -0.29 0.02 0.00 0.09 0.00 0.00 57.88 57.62 1wuz h LEU 33 Cb 1.19 -0.17 -0.04 0.00 0.09 0.00 0.00 40.66 41.72 1wuz h LEU 33 CO 0.01 0.77 -0.45 0.58 0.09 0.00 0.00 178.44 179.44 1wuz h VAL 34 N 0.49 0.12 0.00 1.22 2.07 -1.78 -0.95 116.25 117.42 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 0.43 0.12 0.00 0.00 -1.52 0.00 0.00 31.29 30.32 1wuz h VAL 34 CO 0.01 0.00 0.00 1.55 0.02 0.00 0.00 177.57 179.15 1wuz h PRO 35 N -0.70 0.00 -0.23 1.57 0.13 -1.76 -2.27 132.00 128.74 1wuz h PRO 35 Ca 0.01 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.14 1wuz h PRO 35 Cb 0.71 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.84 1wuz h PRO 35 CO -0.23 0.00 0.00 -2.13 -0.23 0.00 0.00 178.00 175.41 1wuz n ARG 36 N -2.49 1.98 -3.85 0.86 0.63 -0.30 -4.81 116.66 108.67 1wuz n ARG 36 Ca 0.02 -1.47 -0.36 0.00 -0.92 0.00 0.00 57.85 55.12 1wuz n ARG 36 Cb 0.25 -1.43 0.03 0.00 0.45 0.00 0.00 32.46 31.75 1wuz n ARG 36 CO 0.00 0.00 0.00 1.28 -2.51 0.00 0.00 177.63 176.40 1wuz n LEU 37 N 0.70 -1.90 -4.72 6.15 7.99 -0.47 0.15 117.00 124.89 1wuz n LEU 37 Ca 0.17 -1.12 -0.40 0.00 -0.01 0.00 0.00 56.01 54.66 1wuz n LEU 37 Cb 0.42 -2.11 0.03 0.00 -0.11 0.00 0.00 43.42 41.64 1wuz n LEU 37 CO 0.14 0.58 0.94 0.33 -1.51 0.00 0.00 177.39 177.87 1wuz n PHE 38 N -4.50 2.25 -3.71 -1.77 7.35 -0.97 -2.81 117.46 113.30 1wuz n PHE 38 Ca -0.12 0.46 -0.14 0.00 -0.76 0.00 0.00 57.45 56.89 1wuz n PHE 38 Cb 0.59 -2.38 -0.09 0.00 0.35 0.00 0.00 39.48 37.96 1wuz n PHE 38 CO 0.00 0.00 0.00 0.50 -0.76 0.00 0.00 176.76 176.50 1wuz s ARG 39 N -2.50 0.66 -0.05 -4.13 6.06 0.78 -4.97 118.95 114.80 1wuz s ARG 39 Ca 0.65 0.20 0.06 0.00 -2.50 0.00 0.00 55.73 54.14 1wuz s ARG 39 Cb -0.46 0.30 -0.01 0.00 0.06 0.00 0.00 34.95 34.84 1wuz s ARG 39 CO 0.55 -0.15 -0.23 0.08 -2.50 0.00 0.00 175.30 173.04 1wuz s VAL 40 N -0.66 1.91 -0.23 7.11 1.01 -1.26 -0.31 120.40 127.97 1wuz s VAL 40 Ca -0.08 -1.00 -0.26 0.00 0.00 0.00 0.00 61.98 60.64 1wuz s VAL 40 Cb -0.04 -1.61 0.08 0.00 0.00 0.00 0.00 36.38 34.81 1wuz s VAL 40 CO 0.04 0.54 0.77 0.00 0.00 0.00 0.00 175.10 176.44 1wuz s ALA 41 N -0.21 -1.81 0.13 5.51 0.00 -0.93 -4.92 121.76 119.53 1wuz s ALA 41 Ca -0.01 1.86 0.05 0.00 0.00 0.00 0.00 51.96 53.85 1wuz s ALA 41 Cb -0.12 -0.98 -0.04 0.00 0.00 0.00 0.00 23.12 21.98 1wuz s ALA 41 CO 0.02 -0.33 -0.11 -1.54 0.00 0.00 0.00 175.76 173.80 1wuz s SER 42 N 0.00 1.80 0.10 0.00 1.04 -1.25 -2.13 113.70 113.26 1wuz s SER 42 Ca -0.02 -0.92 0.17 0.00 0.48 0.00 0.00 55.95 55.66 1wuz s SER 42 Cb -0.04 -0.03 -0.10 0.00 0.10 0.00 0.00 66.02 65.95 1wuz s SER 42 CO 0.02 -0.26 0.92 0.50 0.98 0.00 0.00 173.24 175.40 1wuz h LYS 43 N 3.12 0.00 0.00 4.02 3.64 -1.94 -3.04 116.57 122.36 1wuz h LYS 43 Ca -0.38 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.00 1wuz h LYS 43 Cb 1.19 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.01 1wuz h LYS 43 CO 0.58 0.31 0.00 -0.25 -2.27 0.00 0.00 179.45 177.82 1wuz n ASP 44 N -2.93 0.00 -0.00 4.20 9.92 -1.26 -4.64 116.55 121.84 1wuz n ASP 44 Ca -0.08 0.64 0.01 0.00 -0.53 0.00 0.00 54.79 54.83 1wuz n ASP 44 Cb 0.81 -0.20 -0.02 0.00 -0.64 0.00 0.00 41.12 41.07 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 -1.11 1.33 0.00 -1.24 1.74 -1.26 -5.01 116.66 111.10 1wuz n ARG 45 Ca 0.00 -0.02 0.00 0.00 -0.77 0.00 0.00 57.85 57.06 1wuz n ARG 45 Cb 0.00 -0.97 0.00 0.00 -1.02 0.00 0.00 32.46 30.47 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 2.08 2.27 2.26 -0.13 0.00 -1.15 -4.90 105.19 105.62 1wuz n GLY 46 Ca -0.00 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.78 1wuz n GLY 46 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1wuz n ASP 47 N 0.00 1.03 -0.01 1.61 9.92 -1.26 -3.90 116.55 123.94 1wuz n ASP 47 Ca 0.00 -2.91 -0.21 0.00 -0.53 0.00 0.00 54.79 51.14 1wuz n ASP 47 Cb 0.00 -0.64 -0.14 0.00 -0.64 0.00 0.00 41.12 39.71 1wuz n ASP 47 CO 0.00 0.00 0.00 -0.07 0.13 0.00 0.00 177.20 177.26 1wuz h LEU 48 N 3.78 0.31 0.00 0.64 3.38 -1.91 -3.35 115.31 118.16 1wuz h LEU 48 Ca 0.10 -0.84 -0.09 0.00 0.09 0.00 0.00 57.88 57.15 1wuz h LEU 48 Cb 0.85 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 41.49 1wuz h LEU 48 CO 0.54 1.52 0.11 0.18 0.09 0.00 0.00 178.44 180.88 1wuz n LEU 49 N -4.08 0.00 -3.64 1.67 4.32 -1.26 -2.45 117.00 111.56 1wuz n LEU 49 Ca -0.23 -2.11 -0.15 0.00 -0.02 0.00 0.00 56.01 53.50 1wuz n LEU 49 Cb 0.82 2.71 -0.08 0.00 -1.62 0.00 0.00 43.42 45.25 1wuz n LEU 49 CO 0.38 -0.63 0.28 -0.70 -1.22 0.00 0.00 177.39 175.50 1wuz s GLU 50 N -2.25 0.80 0.02 3.23 2.12 -1.07 -4.77 118.70 116.78 1wuz s GLU 50 Ca 0.16 0.45 -0.09 0.00 0.36 0.00 0.00 54.97 55.85 1wuz s GLU 50 Cb -0.03 0.38 -0.05 0.00 0.26 0.00 0.00 34.13 34.69 1wuz s GLU 50 CO 0.12 -0.18 0.32 0.54 -0.54 0.00 0.00 175.26 175.52 1wuz s VAL 51 N -0.46 5.21 -0.25 3.70 0.11 -1.26 -2.44 120.40 125.01 1wuz s VAL 51 Ca -0.06 0.34 -0.10 0.00 -2.93 0.00 0.00 61.98 59.24 1wuz s VAL 51 Cb -0.03 -3.60 -0.04 0.00 -1.53 0.00 0.00 36.38 31.18 1wuz s VAL 51 CO 0.04 0.38 0.14 0.21 -3.33 0.00 0.00 175.10 172.54 1wuz s ASN 52 N -1.61 5.80 0.00 3.54 3.84 -1.06 -4.95 114.94 120.50 1wuz s ASN 52 Ca 0.28 0.00 0.18 0.00 0.21 0.00 0.00 52.86 53.53 1wuz s ASN 52 Cb -0.14 -2.05 0.84 0.00 -0.55 0.00 0.00 41.25 39.35 1wuz s ASN 52 CO 0.16 0.02 1.55 0.18 -2.79 0.00 0.00 177.10 176.22 1wuz n LEU 53 N 4.55 0.00 0.31 3.21 4.77 -1.26 0.04 117.00 128.62 1wuz n LEU 53 Ca -0.15 0.38 -0.12 0.00 -0.03 0.00 0.00 56.01 56.08 1wuz n LEU 53 Cb 0.52 -0.38 -0.06 0.00 -2.33 0.00 0.00 43.42 41.17 1wuz n LEU 53 CO 0.34 -0.15 0.41 1.56 -1.33 0.00 0.00 177.39 178.22 1wuz h GLN 54 N 0.00 -0.77 0.00 3.23 1.08 -1.93 -3.40 115.11 113.32 1wuz h GLN 54 Ca 0.00 0.05 0.00 0.00 -1.45 0.00 0.00 58.65 57.25 1wuz h GLN 54 Cb 0.23 0.18 0.00 0.00 -0.05 0.00 0.00 27.48 27.83 1wuz h GLN 54 CO 0.00 -0.52 -0.56 0.09 -0.95 0.00 0.00 178.83 176.89 1wuz n ASN 55 N -4.61 2.29 0.00 1.46 5.03 -1.23 -5.01 115.26 113.18 1wuz n ASN 55 Ca -0.10 -0.28 0.00 0.00 0.87 0.00 0.00 54.58 55.07 1wuz n ASN 55 Cb 0.32 1.04 0.00 0.00 -1.02 0.00 0.00 39.78 40.11 1wuz n ASN 55 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1wuz n GLY 56 N 1.70 2.41 3.65 7.41 0.00 0.11 -4.94 105.19 115.52 1wuz n GLY 56 Ca 0.00 0.00 -0.40 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 -2.00 3.04 -3.51 -0.61 0.13 -1.26 -3.61 119.36 111.54 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 -1.31 -0.09 0.00 -0.84 0.00 0.00 39.64 37.40 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 -1.63 4.11 0.19 9.51 1.98 -1.21 -2.55 118.68 129.08 1wuz s LEU 58 Ca 0.68 0.27 0.08 0.00 -2.89 0.00 0.00 54.13 52.27 1wuz s LEU 58 Cb -0.48 -2.31 -0.04 0.00 0.66 0.00 0.00 46.19 44.02 1wuz s LEU 58 CO 0.53 -0.04 -0.00 0.72 -1.89 0.00 0.00 176.35 175.66 1wuz s PHE 59 N 1.40 2.81 0.37 5.38 -0.71 -1.02 -1.39 117.98 124.82 1wuz s PHE 59 Ca 0.13 -0.15 -0.25 0.00 -1.04 0.00 0.00 56.93 55.61 1wuz s PHE 59 Cb -0.15 -1.35 -0.09 0.00 -1.21 0.00 0.00 43.02 40.23 1wuz s PHE 59 CO 0.07 0.53 1.08 0.08 -1.34 0.00 0.00 175.22 175.65 1wuz s VAL 60 N -1.82 3.56 -0.31 -2.49 1.01 -0.56 -2.60 120.40 117.20 1wuz s VAL 60 Ca 0.28 1.29 0.18 0.00 0.00 0.00 0.00 61.98 63.73 1wuz s VAL 60 Cb -0.09 -3.71 0.46 0.00 0.00 0.00 0.00 36.38 33.04 1wuz s VAL 60 CO 0.19 0.10 1.15 -3.20 0.00 0.00 0.00 175.10 173.34 1wuz n ASN 61 N 0.22 0.60 -3.34 3.32 5.15 -1.02 -2.37 115.26 117.82 1wuz n ASN 61 Ca 0.04 -2.35 -0.05 0.00 -0.60 0.00 0.00 54.58 51.61 1wuz n ASN 61 Cb 0.48 -0.12 0.01 0.00 -0.53 0.00 0.00 39.78 39.62 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 -2.82 -0.05 -0.28 1.20 0.15 -1.12 -4.20 113.70 106.58 1wuz s SER 62 Ca 0.24 -0.77 -0.29 0.00 0.70 0.00 0.00 55.95 55.83 1wuz s SER 62 Cb 0.40 0.63 -0.00 0.00 -1.71 0.00 0.00 66.02 65.33 1wuz s SER 62 CO -0.03 -1.23 1.37 -0.13 1.20 0.00 0.00 173.24 174.42 1wuz s ARG 63 N -2.56 3.89 -0.01 5.44 1.81 -1.26 -4.84 118.95 121.41 1wuz s ARG 63 Ca 0.17 1.33 0.13 0.00 -1.72 0.00 0.00 55.73 55.64 1wuz s ARG 63 Cb -0.03 -3.91 -0.18 0.00 -0.45 0.00 0.00 34.95 30.37 1wuz s ARG 63 CO 0.07 -1.16 0.32 -0.89 -0.68 0.00 0.00 175.30 172.96 1wuz n ILE 64 N 6.26 0.00 -1.54 1.52 2.08 -1.26 -4.14 119.36 122.27 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 -0.02 0.00 -0.75 0.00 0.00 39.64 39.69 1wuz n ILE 64 CO 0.00 0.00 0.00 0.47 0.56 0.00 0.00 176.55 177.58 1wuz n ASP 65 N -1.82 0.58 0.22 4.38 9.92 -1.26 -2.77 116.55 125.81 1wuz n ASP 65 Ca -0.01 1.16 0.18 0.00 -0.53 0.00 0.00 54.79 55.59 1wuz n ASP 65 Cb 0.30 -1.19 0.85 0.00 -0.64 0.00 0.00 41.12 40.45 1wuz n ASP 65 CO 0.00 0.00 0.00 0.08 0.13 0.00 0.00 177.20 177.41 1wuz h ARG 66 N 1.80 0.00 -0.04 -1.24 0.11 -1.94 0.42 114.38 113.50 1wuz h ARG 66 Ca -0.37 0.00 -0.20 0.00 0.10 0.00 0.00 59.98 59.51 1wuz h ARG 66 Cb 1.37 0.00 0.01 0.00 1.11 0.00 0.00 29.97 32.46 1wuz h ARG 66 CO 0.60 0.00 -0.77 0.93 0.10 0.00 0.00 179.97 180.83 1wuz h GLU 67 N 0.00 0.59 0.00 0.08 4.39 -1.87 0.25 114.58 118.02 1wuz h GLU 67 Ca 0.08 -0.58 -0.01 0.00 0.34 0.00 0.00 59.36 59.18 1wuz h GLU 67 Cb 0.55 0.15 -0.00 0.00 -0.10 0.00 0.00 28.75 29.36 1wuz h GLU 67 CO -0.00 1.20 -0.16 0.93 -1.16 0.00 0.00 179.01 179.82 1wuz h GLU 68 N 0.20 0.00 0.00 2.33 4.39 -1.45 -3.41 114.58 116.64 1wuz h GLU 68 Ca -0.09 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.61 1wuz h GLU 68 Cb 1.44 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 30.09 1wuz h GLU 68 CO 0.15 0.28 0.00 1.28 -1.16 0.00 0.00 179.01 179.56 1wuz n LEU 69 N -4.70 0.00 0.02 1.33 4.77 0.13 -4.93 117.00 113.63 1wuz n LEU 69 Ca -0.05 0.71 0.00 0.00 -0.03 0.00 0.00 56.01 56.63 1wuz n LEU 69 Cb 0.19 -0.21 0.00 0.00 -2.33 0.00 0.00 43.42 41.07 1wuz n LEU 69 CO 0.10 -0.21 0.00 0.00 -1.33 0.00 0.00 177.39 175.96 1wuz n GLY 71 N -1.46 1.36 0.13 0.00 0.00 0.86 -4.56 105.19 101.51 1wuz n GLY 71 Ca 0.00 -0.02 -0.04 0.00 0.00 0.00 0.00 46.02 45.96 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 -0.19 -5.97 1.61 -0.00 -1.97 -3.39 114.38 104.47 1wuz h ARG 72 Ca 0.00 0.01 -0.66 0.00 -0.50 0.00 0.00 59.98 58.84 1wuz h ARG 72 Cb 0.00 0.04 -0.02 0.00 0.00 0.00 0.00 29.97 30.00 1wuz h ARG 72 CO 0.00 -0.13 1.44 0.43 0.00 0.00 0.00 179.97 181.71 1wuz n SER 73 N -3.23 2.22 -0.16 7.04 7.64 -1.26 -4.78 113.62 121.09 1wuz n SER 73 Ca -0.02 0.36 0.28 0.00 1.01 0.00 0.00 58.87 60.50 1wuz n SER 73 Cb 0.11 -1.30 0.72 0.00 -1.01 0.00 0.00 64.21 62.73 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 2.80 -3.30 -0.43 0.00 -1.98 -3.35 119.26 125.84 1wuz h ALA 74 Ca -0.28 -0.03 -0.52 0.00 0.00 0.00 0.00 54.91 54.08 1wuz h ALA 74 Cb 1.31 0.06 -0.39 0.00 0.00 0.00 0.00 17.79 18.78 1wuz h ALA 74 CO 1.02 -1.05 -0.77 -2.00 0.00 0.00 0.00 179.25 176.45 1wuz s GLU 75 N -4.99 0.92 -0.17 0.00 2.12 -1.26 -4.72 118.70 110.59 1wuz s GLU 75 Ca -0.05 -0.37 -0.02 0.00 0.36 0.00 0.00 54.97 54.89 1wuz s GLU 75 Cb 0.21 -1.88 -0.02 0.00 0.26 0.00 0.00 34.13 32.71 1wuz s GLU 75 CO 0.77 -0.51 -0.08 0.00 -0.54 0.00 0.00 175.26 174.90 1wuz s SER 77 N 0.70 6.25 -0.01 0.00 1.04 -1.26 -2.47 113.70 117.96 1wuz s SER 77 Ca -0.04 0.23 0.03 0.00 0.48 0.00 0.00 55.95 56.66 1wuz s SER 77 Cb -0.15 -1.90 -0.01 0.00 0.10 0.00 0.00 66.02 64.07 1wuz s SER 77 CO 0.02 0.17 -0.11 -0.63 0.98 0.00 0.00 173.24 173.67 1wuz s ILE 78 N -1.50 0.88 -0.02 -1.02 1.09 -0.50 -5.01 121.20 115.12 1wuz s ILE 78 Ca 0.34 -0.47 0.05 0.00 -1.10 0.00 0.00 60.65 59.47 1wuz s ILE 78 Cb -0.13 -0.74 -0.03 0.00 -1.06 0.00 0.00 42.46 40.50 1wuz s ILE 78 CO 0.27 0.25 -0.16 -1.00 -0.10 0.00 0.00 174.94 174.21 1wuz s HIS 79 N -0.19 2.65 0.04 3.97 3.76 -1.26 -1.88 115.29 122.37 1wuz s HIS 79 Ca 0.03 -0.20 -0.07 0.00 -0.15 0.00 0.00 55.06 54.68 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 0.20 0.12 -1.17 -0.85 0.00 0.00 174.74 173.04 1wuz s LEU 80 N -0.96 1.68 -0.13 0.89 0.20 0.81 -4.75 118.68 116.42 1wuz s LEU 80 Ca 0.13 -0.51 -0.01 0.00 0.69 0.00 0.00 54.13 54.43 1wuz s LEU 80 Cb -0.11 0.71 0.03 0.00 -0.43 0.00 0.00 46.19 46.40 1wuz s LEU 80 CO 0.02 -0.54 -0.05 -1.61 -0.29 0.00 0.00 176.35 173.89 1wuz s GLU 81 N -2.71 1.28 -0.46 1.98 8.01 -0.91 -1.65 118.70 124.24 1wuz s GLU 81 Ca -0.04 -0.30 -0.19 0.00 0.01 0.00 0.00 54.97 54.45 1wuz s GLU 81 Cb -0.00 -1.67 0.04 0.00 -4.31 0.00 0.00 34.13 28.18 1wuz s GLU 81 CO -0.05 -0.36 0.58 0.08 0.01 0.00 0.00 175.26 175.52 1wuz s VAL 82 N 1.74 4.92 -0.28 2.63 1.01 -1.01 -2.19 120.40 127.22 1wuz s VAL 82 Ca 0.03 -0.26 -0.27 0.00 0.00 0.00 0.00 61.98 61.47 1wuz s VAL 82 Cb -0.14 -4.20 0.01 0.00 0.00 0.00 0.00 36.38 32.05 1wuz s VAL 82 CO -0.08 -0.63 0.97 -0.63 0.00 0.00 0.00 175.10 174.73 1wuz s ILE 83 N 2.55 4.67 -0.06 2.22 1.09 0.57 -1.68 121.20 130.56 1wuz s ILE 83 Ca 0.17 1.69 0.04 0.00 -1.10 0.00 0.00 60.65 61.45 1wuz s ILE 83 Cb -0.17 -4.28 -0.02 0.00 -1.06 0.00 0.00 42.46 36.93 1wuz s ILE 83 CO 0.15 -0.28 -0.18 0.68 -0.10 0.00 0.00 174.94 175.21 1wuz s VAL 84 N 3.25 2.72 -0.28 2.92 -7.23 -0.60 -0.15 120.40 121.02 1wuz s VAL 84 Ca 0.41 -0.84 -0.06 0.00 -1.81 0.00 0.00 61.98 59.68 1wuz s VAL 84 Cb -0.14 -2.05 0.01 0.00 0.56 0.00 0.00 36.38 34.76 1wuz s VAL 84 CO 0.11 0.58 0.05 -0.62 -0.31 0.00 0.00 175.10 174.90 1wuz s ASP 85 N -0.45 4.94 -0.22 4.85 2.15 0.12 -2.50 116.67 125.56 1wuz s ASP 85 Ca 0.05 -0.67 -0.04 0.00 0.43 0.00 0.00 52.55 52.32 1wuz s ASP 85 Cb -0.12 -1.84 0.01 0.00 -0.30 0.00 0.00 42.92 40.67 1wuz s ASP 85 CO 0.02 -0.16 0.17 0.54 -0.17 0.00 0.00 175.17 175.57 1wuz n ARG 86 N 4.84 -1.83 -1.32 4.34 5.12 -1.26 -3.35 116.66 123.20 1wuz n ARG 86 Ca -0.15 1.72 -0.31 0.00 -1.93 0.00 0.00 57.85 57.17 1wuz n ARG 86 Cb 0.48 -3.85 0.09 0.00 -1.16 0.00 0.00 32.46 28.02 1wuz n ARG 86 CO 0.00 0.00 0.00 -1.25 -1.93 0.00 0.00 177.63 174.45 1wuz s PRO 87 N -1.45 2.32 -0.42 5.56 0.04 -1.26 -4.18 135.00 135.61 1wuz s PRO 87 Ca 0.07 1.20 -0.21 0.00 0.04 0.00 0.00 61.00 62.09 1wuz s PRO 87 Cb -0.02 -1.90 0.02 0.00 0.04 0.00 0.00 34.50 32.64 1wuz s PRO 87 CO 0.47 -1.60 0.68 -0.51 0.04 0.00 0.00 177.00 176.09 1wuz s LEU 88 N -5.79 4.38 0.00 -3.56 2.01 -1.26 -4.70 118.68 109.77 1wuz s LEU 88 Ca 0.62 -0.18 -0.19 0.00 0.01 0.00 0.00 54.13 54.39 1wuz s LEU 88 Cb -0.18 -2.81 0.06 0.00 0.01 0.00 0.00 46.19 43.28 1wuz s LEU 88 CO 0.54 -0.78 0.85 0.00 1.01 0.00 0.00 176.35 177.97 1wuz n GLN 89 N 6.35 0.03 -4.26 1.70 1.13 -1.04 -5.05 117.38 116.24 1wuz n GLN 89 Ca -0.00 -0.37 -0.17 0.00 -1.94 0.00 0.00 57.00 54.51 1wuz n GLN 89 Cb 0.48 0.68 -0.11 0.00 0.11 0.00 0.00 30.24 31.41 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 -2.02 1.37 -0.21 5.09 1.01 -1.26 -1.56 120.40 122.81 1wuz s VAL 90 Ca 0.20 -1.84 -0.01 0.00 0.00 0.00 0.00 61.98 60.33 1wuz s VAL 90 Cb -0.00 -1.66 0.02 0.00 0.00 0.00 0.00 36.38 34.74 1wuz s VAL 90 CO -0.01 -0.49 -0.13 -0.36 0.00 0.00 0.00 175.10 174.11 1wuz s PHE 91 N -2.44 2.92 -0.19 5.22 0.08 -0.68 -4.92 117.98 117.97 1wuz s PHE 91 Ca 0.12 -1.52 -0.29 0.00 0.12 0.00 0.00 56.93 55.36 1wuz s PHE 91 Cb -0.03 -1.99 -0.03 0.00 -0.57 0.00 0.00 43.02 40.39 1wuz s PHE 91 CO 0.03 -0.74 1.63 -1.58 -0.10 0.00 0.00 175.22 174.46 1wuz s HIS 92 N 1.33 2.08 -0.11 0.36 2.46 -0.22 -2.41 115.29 118.77 1wuz s HIS 92 Ca 0.03 0.50 0.03 0.00 0.47 0.00 0.00 55.06 56.09 1wuz s HIS 92 Cb -0.15 -3.96 0.00 0.00 -0.13 0.00 0.00 32.58 28.35 1wuz s HIS 92 CO -0.08 -3.08 -0.22 0.08 -2.47 0.00 0.00 174.74 168.97 1wuz s VAL 93 N 5.05 2.19 -0.17 0.89 1.01 -0.66 -1.53 120.40 127.17 1wuz s VAL 93 Ca 0.72 -0.96 -0.01 0.00 0.00 0.00 0.00 61.98 61.73 1wuz s VAL 93 Cb -0.26 -1.86 0.05 0.00 0.00 0.00 0.00 36.38 34.31 1wuz s VAL 93 CO 0.29 0.55 -0.02 -0.70 0.00 0.00 0.00 175.10 175.22 1wuz s GLU 94 N 0.47 1.11 -0.13 2.72 -6.30 -0.35 -0.14 118.70 116.09 1wuz s GLU 94 Ca -0.15 -0.47 -0.01 0.00 -2.50 0.00 0.00 54.97 51.84 1wuz s GLU 94 Cb -0.17 -1.99 -0.02 0.00 0.00 0.00 0.00 34.13 31.95 1wuz s GLU 94 CO 0.06 -0.50 -0.10 0.14 0.02 0.00 0.00 175.26 174.87 1wuz s VAL 95 N 1.72 3.35 0.17 3.70 -7.23 -0.79 -1.20 120.40 120.11 1wuz s VAL 95 Ca -0.00 -0.56 0.06 0.00 -1.81 0.00 0.00 61.98 59.67 1wuz s VAL 95 Cb -0.16 -2.42 -0.04 0.00 0.56 0.00 0.00 36.38 34.32 1wuz s VAL 95 CO -0.07 0.52 0.06 -0.70 -0.31 0.00 0.00 175.10 174.60 1wuz s GLU 96 N 0.30 2.64 -0.06 4.82 2.12 -1.08 -1.41 118.70 126.02 1wuz s GLU 96 Ca -0.08 -0.99 -0.11 0.00 0.36 0.00 0.00 54.97 54.15 1wuz s GLU 96 Cb -0.15 -2.49 -0.05 0.00 0.26 0.00 0.00 34.13 31.70 1wuz s GLU 96 CO 0.05 0.47 0.28 0.14 -0.54 0.00 0.00 175.26 175.65 1wuz s VAL 97 N -1.74 5.27 -0.22 3.70 -7.23 -1.03 -2.46 120.40 116.68 1wuz s VAL 97 Ca 0.29 0.53 -0.02 0.00 -1.81 0.00 0.00 61.98 60.97 1wuz s VAL 97 Cb -0.10 -3.56 0.01 0.00 0.56 0.00 0.00 36.38 33.30 1wuz s VAL 97 CO 0.21 0.59 -0.09 -0.60 -0.31 0.00 0.00 175.10 174.89 1wuz s ARG 98 N -0.97 3.04 0.00 4.82 3.00 -0.94 -4.56 118.95 123.34 1wuz s ARG 98 Ca 0.19 -0.83 -0.07 0.00 -1.00 0.00 0.00 55.73 54.02 1wuz s ARG 98 Cb -0.14 -2.88 0.02 0.00 0.00 0.00 0.00 34.95 31.95 1wuz s ARG 98 CO 0.08 -0.29 0.33 -0.25 0.00 0.00 0.00 175.30 175.17 1wuz n ASP 99 N 4.69 -0.33 -4.42 -2.12 9.92 -1.26 -2.41 116.55 120.62 1wuz n ASP 99 Ca -0.18 -1.09 -0.25 0.00 -0.53 0.00 0.00 54.79 52.74 1wuz n ASP 99 Cb 0.49 0.52 -0.11 0.00 -0.64 0.00 0.00 41.12 41.37 1wuz n ASP 99 CO 0.00 0.00 0.00 -0.63 0.13 0.00 0.00 177.20 176.70 1wuz s ILE 100 N -2.16 2.29 -0.10 0.53 -1.09 -1.26 -4.99 121.20 114.43 1wuz s ILE 100 Ca 0.08 -2.14 -0.24 0.00 -2.23 0.00 0.00 60.65 56.12 1wuz s ILE 100 Cb -0.00 -2.13 -0.28 0.00 -1.58 0.00 0.00 42.46 38.46 1wuz s ILE 100 CO 0.00 -0.25 0.77 -1.13 -1.23 0.00 0.00 174.94 173.10 1wuz h ASN 101 N 2.90 0.26 -0.74 3.58 -0.73 -1.90 -3.32 115.58 115.63 1wuz h ASN 101 Ca -0.43 -0.93 -0.33 0.00 1.87 0.00 0.00 56.30 56.47 1wuz h ASN 101 Cb 1.22 -0.08 -0.20 0.00 0.27 0.00 0.00 38.32 39.53 1wuz h ASN 101 CO 0.53 1.28 0.42 -0.90 -0.37 0.00 0.00 177.43 178.39 1wuz n ASP 102 N -4.30 3.90 0.00 1.15 5.75 -1.26 -5.06 116.55 116.73 1wuz n ASP 102 Ca -0.15 -3.20 0.00 0.00 -0.01 0.00 0.00 54.79 51.43 1wuz n ASP 102 Cb 0.70 -0.75 0.00 0.00 -1.03 0.00 0.00 41.12 40.03 1wuz n ASP 102 CO 0.00 0.00 0.00 -3.20 -0.11 0.00 0.00 177.20 173.89