#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 3.40 -0.04 1.61 6.94 -1.26 -4.74 115.26 121.18 1wuz n ASN 2 Ca 0.00 -3.01 -0.01 0.00 -0.02 0.00 0.00 54.58 51.53 1wuz n ASN 2 Cb 0.00 -0.41 -0.09 0.00 -2.36 0.00 0.00 39.78 36.92 1wuz n ASN 2 CO 0.00 0.00 0.00 -1.20 -1.03 0.00 0.00 177.26 175.03 1wuz n SER 3 N -0.61 2.24 -4.36 0.53 7.64 -1.26 -4.87 113.62 112.92 1wuz n SER 3 Ca 0.27 0.00 -0.45 0.00 1.01 0.00 0.00 58.87 59.70 1wuz n SER 3 Cb 0.87 1.06 -0.06 0.00 -1.01 0.00 0.00 64.21 65.08 1wuz n SER 3 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1wuz s GLN 4 N -2.48 3.01 0.03 1.43 -2.07 -1.26 -1.12 119.66 117.20 1wuz s GLN 4 Ca -0.05 -1.45 0.04 0.00 -1.82 0.00 0.00 55.36 52.08 1wuz s GLN 4 Cb 0.05 -4.23 -0.02 0.00 -1.09 0.00 0.00 33.01 27.72 1wuz s GLN 4 CO 0.47 -1.29 -0.12 0.42 -1.32 0.00 0.00 175.29 173.46 1wuz s ILE 5 N 1.94 0.92 0.03 3.63 -1.09 -0.59 -5.05 121.20 121.00 1wuz s ILE 5 Ca 0.06 -0.90 0.00 0.00 -2.23 0.00 0.00 60.65 57.59 1wuz s ILE 5 Cb -0.26 -0.85 -0.03 0.00 -1.58 0.00 0.00 42.46 39.74 1wuz s ILE 5 CO 0.06 -0.04 -0.04 -1.38 -1.23 0.00 0.00 174.94 172.31 1wuz s HIS 6 N -0.83 0.41 0.34 3.97 -3.43 -1.26 -1.00 115.29 113.49 1wuz s HIS 6 Ca -0.00 -0.65 0.03 0.00 -0.80 0.00 0.00 55.06 53.64 1wuz s HIS 6 Cb -0.07 -0.28 -0.05 0.00 -1.43 0.00 0.00 32.58 30.75 1wuz s HIS 6 CO 0.01 -0.21 0.09 0.71 -2.00 0.00 0.00 174.74 173.34 1wuz s TYR 7 N -2.02 1.81 -0.04 0.38 2.02 -0.52 -4.91 117.35 114.08 1wuz s TYR 7 Ca -0.09 -1.12 0.05 0.00 -0.37 0.00 0.00 57.07 55.54 1wuz s TYR 7 Cb -0.06 -1.16 -0.01 0.00 -0.40 0.00 0.00 41.96 40.34 1wuz s TYR 7 CO -0.03 -0.17 -0.20 0.45 -1.57 0.00 0.00 175.55 174.04 1wuz s SER 8 N -3.49 2.40 -0.13 2.29 0.15 -0.91 -2.73 113.70 111.29 1wuz s SER 8 Ca 0.33 -0.39 -0.06 0.00 0.70 0.00 0.00 55.95 56.53 1wuz s SER 8 Cb 0.07 -0.53 0.05 0.00 -1.71 0.00 0.00 66.02 63.90 1wuz s SER 8 CO 0.15 0.20 0.29 -0.51 1.20 0.00 0.00 173.24 174.57 1wuz s ILE 9 N -0.17 -0.09 0.15 6.45 -1.16 -1.03 -4.36 121.20 120.99 1wuz s ILE 9 Ca 0.00 0.15 -0.31 0.00 -0.51 0.00 0.00 60.65 59.98 1wuz s ILE 9 Cb -0.11 -0.45 -0.08 0.00 0.61 0.00 0.00 42.46 42.43 1wuz s ILE 9 CO 0.01 0.06 1.34 -2.16 -2.81 0.00 0.00 174.94 171.38 1wuz s PRO 10 N 1.44 4.36 0.87 3.50 0.04 -1.26 -2.14 135.00 141.80 1wuz s PRO 10 Ca -0.08 2.04 -0.15 0.00 0.04 0.00 0.00 61.00 62.85 1wuz s PRO 10 Cb -0.10 -3.23 -0.04 0.00 0.04 0.00 0.00 34.50 31.17 1wuz s PRO 10 CO -0.10 -0.34 0.12 0.39 0.04 0.00 0.00 177.00 177.12 1wuz n GLU 11 N 3.34 -0.05 -2.01 4.56 1.02 -1.04 -2.48 120.64 123.99 1wuz n GLU 11 Ca 0.09 0.02 -0.16 0.00 -0.02 0.00 0.00 57.16 57.08 1wuz n GLU 11 Cb 0.43 -1.60 -0.03 0.00 -0.02 0.00 0.00 31.44 30.22 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 -0.26 -1.25 -2.30 3.49 2.13 -1.21 -4.91 120.64 116.33 1wuz n GLU 12 Ca 0.06 0.90 -0.43 0.00 0.66 0.00 0.00 57.16 58.35 1wuz n GLU 12 Cb 0.53 -5.24 -0.02 0.00 0.27 0.00 0.00 31.44 26.98 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 -2.74 3.49 0.84 4.31 0.00 -1.04 -4.81 121.76 121.82 1wuz s ALA 13 Ca 0.00 0.43 -0.11 0.00 0.00 0.00 0.00 51.96 52.28 1wuz s ALA 13 Cb 0.00 -3.73 0.10 0.00 0.00 0.00 0.00 23.12 19.49 1wuz s ALA 13 CO 0.00 -1.54 1.10 0.15 0.00 0.00 0.00 175.76 175.47 1wuz s LYS 14 N 4.02 1.67 -0.08 0.00 -0.14 -1.26 -4.49 119.74 119.46 1wuz s LYS 14 Ca 0.61 1.10 -0.31 0.00 -1.36 0.00 0.00 55.97 56.01 1wuz s LYS 14 Cb -0.23 -1.84 -0.09 0.00 -1.68 0.00 0.00 37.83 34.00 1wuz s LYS 14 CO 0.22 -2.03 2.01 0.72 -0.76 0.00 0.00 175.35 175.51 1wuz n HIS 15 N -3.78 2.28 0.00 3.18 8.25 -1.26 -1.48 115.22 122.42 1wuz n HIS 15 Ca 0.09 -0.16 0.00 0.00 -0.26 0.00 0.00 57.72 57.39 1wuz n HIS 15 Cb 0.54 -2.72 0.00 0.00 1.12 0.00 0.00 29.99 28.92 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 4.88 1.07 3.77 -1.41 0.00 -0.89 -4.96 105.19 107.64 1wuz n GLY 16 Ca 0.24 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.88 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 3.71 0.39 2.61 2.01 -0.55 -4.69 115.64 117.13 1wuz s THR 17 Ca 0.00 1.48 -0.27 0.00 0.31 0.00 0.00 61.69 63.21 1wuz s THR 17 Cb 0.00 -3.85 -0.09 0.00 0.01 0.00 0.00 72.50 68.57 1wuz s THR 17 CO 0.00 0.17 1.38 0.12 -0.69 0.00 0.00 174.62 175.60 1wuz s PHE 18 N -1.46 2.72 0.00 4.92 5.36 -1.26 -1.45 117.98 126.81 1wuz s PHE 18 Ca 0.51 1.31 0.00 0.00 -0.96 0.00 0.00 56.93 57.80 1wuz s PHE 18 Cb -0.25 -3.82 0.00 0.00 -0.34 0.00 0.00 43.02 38.61 1wuz s PHE 18 CO 0.32 -2.48 0.00 0.28 -1.46 0.00 0.00 175.22 171.88 1wuz n VAL 19 N 0.26 0.00 0.00 3.12 0.31 -0.40 -4.75 118.33 116.87 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 -0.32 0.00 0.00 -0.91 0.00 0.00 33.84 33.03 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 2.48 3.52 3.51 2.92 0.00 -1.24 -2.14 105.19 114.24 1wuz n GLY 20 Ca 0.00 -0.72 -0.34 0.00 0.00 0.00 0.00 46.02 44.96 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 -1.08 2.03 -0.35 1.61 1.74 -1.26 -1.86 116.66 117.50 1wuz n ARG 21 Ca 0.00 -2.63 0.15 0.00 -0.77 0.00 0.00 57.85 54.60 1wuz n ARG 21 Cb 0.00 -3.59 0.34 0.00 -1.02 0.00 0.00 32.46 28.19 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 5.79 0.63 0.04 0.55 -0.00 -1.89 0.12 117.51 122.75 1wuz h ILE 22 Ca 0.31 -0.23 -0.00 0.00 -0.00 0.00 0.00 64.86 64.93 1wuz h ILE 22 Cb 0.89 -0.11 0.00 0.00 -0.00 0.00 0.00 36.82 37.60 1wuz h ILE 22 CO 1.37 0.12 -0.02 0.00 -0.00 0.00 0.00 178.15 179.63 1wuz h ALA 23 N 1.68 -0.05 -0.87 0.18 0.00 -1.80 -1.76 119.26 116.65 1wuz h ALA 23 Ca 0.60 -0.26 0.10 0.00 0.00 0.00 0.00 54.91 55.36 1wuz h ALA 23 Cb 1.03 0.02 -0.08 0.00 0.00 0.00 0.00 17.79 18.76 1wuz h ALA 23 CO -0.42 -0.26 0.50 0.37 0.00 0.00 0.00 179.25 179.44 1wuz h GLN 24 N -0.59 0.80 0.00 0.00 5.75 -1.55 0.22 115.11 119.74 1wuz h GLN 24 Ca -0.01 -0.05 -0.07 0.00 -0.15 0.00 0.00 58.65 58.37 1wuz h GLN 24 Cb 0.53 -0.18 -0.01 0.00 1.07 0.00 0.00 27.48 28.89 1wuz h GLN 24 CO 0.01 0.53 -0.35 -0.44 -2.65 0.00 0.00 178.83 175.93 1wuz h ASP 25 N 0.82 0.00 0.20 -0.69 5.19 -0.83 -3.14 116.42 117.98 1wuz h ASP 25 Ca 0.43 0.00 -0.30 0.00 -0.62 0.00 0.00 57.03 56.53 1wuz h ASP 25 Cb 0.42 0.00 0.03 0.00 0.18 0.00 0.00 39.33 39.95 1wuz h ASP 25 CO -0.26 0.35 -1.28 -0.07 -3.12 0.00 0.00 179.24 174.86 1wuz h LEU 26 N 0.00 0.83 -0.92 1.55 4.07 0.04 -3.49 115.31 117.39 1wuz h LEU 26 Ca -0.00 -0.79 0.00 0.00 0.08 0.00 0.00 57.88 57.17 1wuz h LEU 26 Cb 0.89 -0.26 0.00 0.00 1.08 0.00 0.00 40.66 42.37 1wuz h LEU 26 CO 0.04 1.60 0.00 0.61 -1.08 0.00 0.00 178.44 179.61 1wuz n GLY 27 N 1.43 0.59 1.36 0.83 0.00 0.54 -4.94 105.19 105.00 1wuz n GLY 27 Ca -0.14 -0.28 -0.11 0.00 0.00 0.00 0.00 46.02 45.50 1wuz n GLY 27 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1wuz n LEU 28 N -0.46 0.00 -4.82 0.99 4.77 -1.23 -5.09 117.00 111.16 1wuz n LEU 28 Ca 0.00 -1.24 -0.35 0.00 -0.03 0.00 0.00 56.01 54.38 1wuz n LEU 28 Cb 0.26 0.34 -0.07 0.00 -2.33 0.00 0.00 43.42 41.62 1wuz n LEU 28 CO 0.00 -0.19 -0.21 -0.70 -1.33 0.00 0.00 177.39 174.96 1wuz s GLU 29 N -2.65 3.27 0.37 3.23 2.12 -1.26 -4.87 118.70 118.92 1wuz s GLU 29 Ca 0.06 -0.27 0.15 0.00 0.36 0.00 0.00 54.97 55.27 1wuz s GLU 29 Cb 0.00 -3.03 0.73 0.00 0.26 0.00 0.00 34.13 32.09 1wuz s GLU 29 CO 0.04 0.73 1.79 1.25 -0.54 0.00 0.00 175.26 178.54 1wuz h LEU 30 N 4.74 0.00 -1.67 2.70 7.12 -1.97 -2.42 115.31 123.82 1wuz h LEU 30 Ca -0.52 0.00 0.00 0.00 0.13 0.00 0.00 57.88 57.49 1wuz h LEU 30 Cb 1.21 0.00 0.00 0.00 -0.53 0.00 0.00 40.66 41.34 1wuz h LEU 30 CO 0.59 0.39 0.00 0.41 -0.13 0.00 0.00 178.44 179.70 1wuz n THR 31 N -3.86 0.22 0.81 1.05 -1.04 -1.26 -3.89 114.28 106.31 1wuz n THR 31 Ca -0.01 -0.50 0.08 0.00 -2.04 0.00 0.00 64.05 61.59 1wuz n THR 31 Cb 0.45 0.85 -0.10 0.00 -1.82 0.00 0.00 70.33 69.70 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 1.09 -0.14 -2.82 -0.58 -0.92 -4.43 120.64 113.75 1wuz n GLU 32 Ca 0.17 -0.01 -0.11 0.00 -0.42 0.00 0.00 57.16 56.80 1wuz n GLU 32 Cb 0.49 -1.35 -0.01 0.00 -0.57 0.00 0.00 31.44 30.00 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 0.76 0.15 -4.62 3.38 -1.64 -1.28 115.31 112.06 1wuz h LEU 33 Ca 0.00 -0.34 0.02 0.00 0.09 0.00 0.00 57.88 57.65 1wuz h LEU 33 Cb 0.44 -0.21 -0.04 0.00 0.09 0.00 0.00 40.66 40.94 1wuz h LEU 33 CO 0.00 0.91 -0.44 0.58 0.09 0.00 0.00 178.44 179.58 1wuz h VAL 34 N 0.59 0.12 0.00 1.22 2.07 -1.81 -1.26 116.25 117.17 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 0.55 0.12 0.00 0.00 -1.52 0.00 0.00 31.29 30.45 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 -0.70 0.00 -0.23 1.57 0.13 -1.81 -2.33 132.00 128.63 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 0.54 -0.23 0.00 0.00 178.00 178.08 1wuz n ARG 36 N -2.48 1.78 -3.86 0.86 1.74 -0.48 -4.94 116.66 109.28 1wuz n ARG 36 Ca 0.02 -1.19 -0.32 0.00 -0.77 0.00 0.00 57.85 55.58 1wuz n ARG 36 Cb 0.25 -1.36 0.01 0.00 -1.02 0.00 0.00 32.46 30.34 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 0.42 -2.12 -4.77 0.55 7.99 -0.82 -1.52 117.00 116.73 1wuz n LEU 37 Ca 0.15 -1.08 -0.39 0.00 -0.01 0.00 0.00 56.01 54.68 1wuz n LEU 37 Cb 0.33 -2.17 -0.01 0.00 -0.11 0.00 0.00 43.42 41.46 1wuz n LEU 37 CO 0.12 0.52 0.94 0.12 -1.51 0.00 0.00 177.39 177.58 1wuz s PHE 38 N -3.66 2.87 0.01 -1.77 5.36 -1.01 -2.73 117.98 117.04 1wuz s PHE 38 Ca 0.32 1.43 -0.23 0.00 -0.96 0.00 0.00 56.93 57.49 1wuz s PHE 38 Cb -0.13 -3.63 0.05 0.00 -0.34 0.00 0.00 43.02 38.97 1wuz s PHE 38 CO 0.89 -1.96 0.52 0.50 -1.46 0.00 0.00 175.22 173.72 1wuz s ARG 39 N -2.22 0.97 0.03 10.12 3.52 0.65 -4.98 118.95 127.04 1wuz s ARG 39 Ca 0.56 -0.10 0.07 0.00 -0.13 0.00 0.00 55.73 56.14 1wuz s ARG 39 Cb -0.37 0.45 -0.02 0.00 -1.56 0.00 0.00 34.95 33.44 1wuz s ARG 39 CO 0.47 -0.33 -0.19 0.08 -0.81 0.00 0.00 175.30 174.53 1wuz s VAL 40 N -1.90 1.53 0.21 7.11 1.01 -1.26 -0.33 120.40 126.77 1wuz s VAL 40 Ca -0.08 -1.10 -0.21 0.00 0.00 0.00 0.00 61.98 60.58 1wuz s VAL 40 Cb -0.01 -1.33 0.07 0.00 0.00 0.00 0.00 36.38 35.11 1wuz s VAL 40 CO 0.03 0.20 1.01 0.00 0.00 0.00 0.00 175.10 176.33 1wuz s ALA 41 N -0.76 -1.50 0.08 5.51 0.00 -0.87 -4.88 121.76 119.35 1wuz s ALA 41 Ca 0.06 -0.38 -0.15 0.00 0.00 0.00 0.00 51.96 51.50 1wuz s ALA 41 Cb -0.08 0.75 0.03 0.00 0.00 0.00 0.00 23.12 23.81 1wuz s ALA 41 CO 0.01 -1.06 0.35 0.45 0.00 0.00 0.00 175.76 175.52 1wuz s SER 42 N -3.36 -0.16 0.21 0.00 0.15 -1.26 -1.75 113.70 107.52 1wuz s SER 42 Ca 0.21 -0.27 0.20 0.00 0.70 0.00 0.00 55.95 56.79 1wuz s SER 42 Cb -0.03 0.41 0.02 0.00 -1.71 0.00 0.00 66.02 64.72 1wuz s SER 42 CO 0.06 -0.74 1.12 0.11 1.20 0.00 0.00 173.24 174.99 1wuz h LYS 43 N 2.77 0.00 0.00 5.44 1.57 -1.95 -3.24 116.57 121.16 1wuz h LYS 43 Ca -0.33 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.45 1wuz h LYS 43 Cb 1.22 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.53 1wuz h LYS 43 CO 0.47 0.15 0.00 -0.25 -0.57 0.00 0.00 179.45 179.26 1wuz n ASP 44 N -2.88 0.00 -0.00 0.86 9.92 -1.26 -4.79 116.55 118.41 1wuz n ASP 44 Ca -0.02 0.29 0.00 0.00 -0.53 0.00 0.00 54.79 54.53 1wuz n ASP 44 Cb 0.66 -0.14 -0.00 0.00 -0.64 0.00 0.00 41.12 41.00 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 -0.91 1.35 -0.94 -1.24 1.74 -1.26 -5.00 116.66 110.40 1wuz n ARG 45 Ca 0.00 -0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.08 1wuz n ARG 45 Cb 0.00 -0.91 0.00 0.00 -1.02 0.00 0.00 32.46 30.53 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 2.19 0.37 2.27 -0.13 0.00 -1.22 -4.89 105.19 103.77 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 -0.31 1.10 -0.04 1.61 8.00 -1.26 -4.39 116.55 121.26 1wuz n ASP 47 Ca 0.00 -2.93 -0.08 0.00 0.71 0.00 0.00 54.79 52.50 1wuz n ASP 47 Cb 0.15 -0.64 -0.04 0.00 -0.02 0.00 0.00 41.12 40.58 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 1.00 1.95 -3.77 0.64 4.77 -1.25 -4.53 117.00 115.80 1wuz n LEU 48 Ca 0.24 0.02 -0.09 0.00 -0.03 0.00 0.00 56.01 56.15 1wuz n LEU 48 Cb 0.53 -0.28 -0.03 0.00 -2.33 0.00 0.00 43.42 41.31 1wuz n LEU 48 CO 0.23 0.44 0.37 -0.76 -1.33 0.00 0.00 177.39 176.35 1wuz s LEU 49 N -5.94 -0.16 -0.06 2.23 1.02 -1.26 -1.94 118.68 112.57 1wuz s LEU 49 Ca -0.12 -0.51 -0.14 0.00 0.02 0.00 0.00 54.13 53.38 1wuz s LEU 49 Cb 0.04 2.45 0.03 0.00 0.02 0.00 0.00 46.19 48.73 1wuz s LEU 49 CO 0.18 -1.19 0.34 -1.61 0.02 0.00 0.00 176.35 174.09 1wuz s GLU 50 N -3.89 0.58 0.07 1.70 2.02 -1.09 -4.80 118.70 113.30 1wuz s GLU 50 Ca 0.10 0.08 -0.11 0.00 0.02 0.00 0.00 54.97 55.06 1wuz s GLU 50 Cb -0.03 0.27 -0.06 0.00 0.10 0.00 0.00 34.13 34.41 1wuz s GLU 50 CO 0.01 -0.14 0.42 0.54 0.02 0.00 0.00 175.26 176.12 1wuz s VAL 51 N -0.75 5.05 -0.31 2.63 0.11 -1.26 -2.08 120.40 123.79 1wuz s VAL 51 Ca -0.08 0.58 -0.11 0.00 -2.93 0.00 0.00 61.98 59.44 1wuz s VAL 51 Cb -0.04 -3.67 -0.02 0.00 -1.53 0.00 0.00 36.38 31.12 1wuz s VAL 51 CO 0.03 0.34 0.18 0.21 -3.33 0.00 0.00 175.10 172.52 1wuz s ASN 52 N -1.62 5.73 0.42 3.54 3.84 0.31 -4.94 114.94 122.20 1wuz s ASN 52 Ca 0.32 -0.39 0.28 0.00 0.21 0.00 0.00 52.86 53.28 1wuz s ASN 52 Cb -0.15 -2.05 1.51 0.00 -0.55 0.00 0.00 41.25 40.01 1wuz s ASN 52 CO 0.17 -0.17 1.86 -0.07 -2.79 0.00 0.00 177.10 176.11 1wuz h LEU 53 N 8.38 0.00 -0.43 3.21 3.38 -1.95 0.33 115.31 128.23 1wuz h LEU 53 Ca -0.33 0.00 0.09 0.00 0.09 0.00 0.00 57.88 57.73 1wuz h LEU 53 Cb 1.16 0.00 -0.08 0.00 0.09 0.00 0.00 40.66 41.83 1wuz h LEU 53 CO 0.61 0.00 -0.09 1.56 0.09 0.00 0.00 178.44 180.60 1wuz h GLN 54 N 0.00 0.01 0.00 1.13 1.08 -1.94 -3.32 115.11 112.08 1wuz h GLN 54 Ca 0.00 -0.00 -0.06 0.00 -1.45 0.00 0.00 58.65 57.14 1wuz h GLN 54 Cb 0.04 -0.00 -0.12 0.00 -0.05 0.00 0.00 27.48 27.34 1wuz h GLN 54 CO 0.00 0.01 -0.60 0.09 -0.95 0.00 0.00 178.83 177.38 1wuz n ASN 55 N -5.31 0.24 -2.06 1.46 4.13 -1.06 -4.99 115.26 107.68 1wuz n ASN 55 Ca 0.03 -1.90 -0.17 0.00 1.68 0.00 0.00 54.58 54.23 1wuz n ASN 55 Cb 0.23 -0.18 -0.03 0.00 -1.54 0.00 0.00 39.78 38.26 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 0.15 0.32 3.86 7.41 0.00 0.11 -4.94 105.19 112.10 1wuz n GLY 56 Ca 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.69 1wuz n GLY 56 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 1wuz s ILE 57 N -2.67 4.87 -0.28 -0.61 1.10 -1.13 -2.61 121.20 119.87 1wuz s ILE 57 Ca 0.00 0.64 -0.12 0.00 -0.51 0.00 0.00 60.65 60.65 1wuz s ILE 57 Cb 0.00 -3.65 -0.05 0.00 0.15 0.00 0.00 42.46 38.92 1wuz s ILE 57 CO 0.00 -0.02 0.26 -0.22 -2.11 0.00 0.00 174.94 172.85 1wuz s LEU 58 N -2.64 4.03 0.15 8.50 1.98 -0.77 -0.53 118.68 129.39 1wuz s LEU 58 Ca 0.46 0.10 0.07 0.00 -2.89 0.00 0.00 54.13 51.87 1wuz s LEU 58 Cb -0.12 -2.23 -0.04 0.00 0.66 0.00 0.00 46.19 44.46 1wuz s LEU 58 CO 0.20 -0.10 -0.05 0.72 -1.89 0.00 0.00 176.35 175.24 1wuz s PHE 59 N 1.87 2.78 0.43 5.38 -0.12 -0.88 -1.28 117.98 126.16 1wuz s PHE 59 Ca 0.10 -0.15 -0.23 0.00 -0.05 0.00 0.00 56.93 56.59 1wuz s PHE 59 Cb -0.16 -1.38 -0.08 0.00 -0.63 0.00 0.00 43.02 40.77 1wuz s PHE 59 CO 0.11 0.49 1.11 0.08 -0.05 0.00 0.00 175.22 176.96 1wuz s VAL 60 N -1.57 3.40 -0.36 -2.49 1.01 -0.53 -2.65 120.40 117.21 1wuz s VAL 60 Ca 0.25 1.06 0.14 0.00 0.00 0.00 0.00 61.98 63.43 1wuz s VAL 60 Cb -0.10 -3.54 0.42 0.00 0.00 0.00 0.00 36.38 33.16 1wuz s VAL 60 CO 0.17 -0.01 1.11 -3.20 0.00 0.00 0.00 175.10 173.16 1wuz n ASN 61 N -0.31 -0.07 -2.59 3.32 2.85 -0.82 -2.10 115.26 115.54 1wuz n ASN 61 Ca 0.06 -2.67 -0.03 0.00 -0.11 0.00 0.00 54.58 51.82 1wuz n ASN 61 Cb 0.49 0.18 0.02 0.00 1.24 0.00 0.00 39.78 41.71 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 -0.23 -1.41 -4.42 1.20 2.88 -1.15 -3.80 113.62 106.69 1wuz n SER 62 Ca 0.05 -1.82 -0.45 0.00 -1.33 0.00 0.00 58.87 55.32 1wuz n SER 62 Cb 0.82 2.31 -0.02 0.00 -0.75 0.00 0.00 64.21 66.56 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 -2.05 3.57 0.39 -1.46 3.00 -1.26 -4.79 118.95 116.36 1wuz s ARG 63 Ca 0.15 -1.91 0.24 0.00 0.00 0.00 0.00 55.73 54.21 1wuz s ARG 63 Cb -0.03 -4.76 0.45 0.00 0.00 0.00 0.00 34.95 30.61 1wuz s ARG 63 CO 0.05 -1.64 1.65 0.82 0.00 0.00 0.00 175.30 176.18 1wuz h ILE 64 N 5.57 0.00 -1.43 1.52 1.08 -1.94 -2.48 117.51 119.83 1wuz h ILE 64 Ca 0.12 -0.89 -0.69 0.00 -0.39 0.00 0.00 64.86 63.01 1wuz h ILE 64 Cb 1.03 1.89 0.08 0.00 -3.07 0.00 0.00 36.82 36.75 1wuz h ILE 64 CO 1.02 0.00 -0.02 -0.67 -0.69 0.00 0.00 178.15 177.79 1wuz n ASP 65 N -2.92 0.22 0.20 1.72 -0.08 -1.26 -3.29 116.55 111.14 1wuz n ASP 65 Ca 0.04 1.14 0.18 0.00 -1.51 0.00 0.00 54.79 54.65 1wuz n ASP 65 Cb 0.51 -1.06 0.79 0.00 2.34 0.00 0.00 41.12 43.70 1wuz n ASP 65 CO 0.00 0.00 0.00 0.08 0.12 0.00 0.00 177.20 177.40 1wuz h ARG 66 N 2.55 0.00 -0.01 -0.67 0.11 -1.92 0.70 114.38 115.13 1wuz h ARG 66 Ca -0.41 0.00 -0.02 0.00 0.10 0.00 0.00 59.98 59.65 1wuz h ARG 66 Cb 1.40 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.48 1wuz h ARG 66 CO 0.65 0.00 -0.07 0.93 0.10 0.00 0.00 179.97 181.58 1wuz h GLU 67 N 0.00 0.06 0.00 0.08 3.07 -1.86 0.29 114.58 116.23 1wuz h GLU 67 Ca 0.11 -0.05 -0.02 0.00 -0.50 0.00 0.00 59.36 58.90 1wuz h GLU 67 Cb 0.83 0.01 -0.00 0.00 -0.84 0.00 0.00 28.75 28.75 1wuz h GLU 67 CO -0.00 0.76 -0.17 0.93 -1.40 0.00 0.00 179.01 179.12 1wuz h GLU 68 N -0.62 0.00 0.00 2.33 4.39 -1.45 -3.41 114.58 115.83 1wuz h GLU 68 Ca -0.01 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.69 1wuz h GLU 68 Cb 0.77 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.42 1wuz h GLU 68 CO 0.01 0.29 0.00 -0.11 -1.16 0.00 0.00 179.01 178.05 1wuz n LEU 69 N -4.69 0.00 0.09 1.33 7.94 0.23 -4.91 117.00 116.99 1wuz n LEU 69 Ca -0.06 0.85 0.00 0.00 -1.11 0.00 0.00 56.01 55.70 1wuz n LEU 69 Cb 0.20 -0.35 0.00 0.00 0.53 0.00 0.00 43.42 43.79 1wuz n LEU 69 CO 0.11 -0.35 0.00 0.00 -1.11 0.00 0.00 177.39 176.03 1wuz n GLY 71 N -1.40 1.50 0.46 0.00 0.00 0.10 -4.35 105.19 101.49 1wuz n GLY 71 Ca 0.00 -0.01 0.28 0.00 0.00 0.00 0.00 46.02 46.29 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 0.08 -5.49 1.61 2.47 -1.98 -3.34 114.38 107.73 1wuz h ARG 72 Ca 0.00 -0.00 -0.63 0.00 -1.26 0.00 0.00 59.98 58.09 1wuz h ARG 72 Cb 0.00 -0.02 -0.14 0.00 -1.65 0.00 0.00 29.97 28.16 1wuz h ARG 72 CO 0.00 0.05 0.53 -1.12 0.56 0.00 0.00 179.97 179.99 1wuz s SER 73 N -5.56 6.20 0.52 7.04 0.01 -1.26 -4.89 113.70 115.76 1wuz s SER 73 Ca -0.06 -0.89 0.29 0.00 1.31 0.00 0.00 55.95 56.61 1wuz s SER 73 Cb 0.22 -2.42 1.41 0.00 0.21 0.00 0.00 66.02 65.45 1wuz s SER 73 CO 0.78 -1.39 1.88 0.00 0.41 0.00 0.00 173.24 174.92 1wuz h ALA 74 N 9.51 2.73 -3.48 1.44 0.00 -1.97 -3.33 119.26 124.15 1wuz h ALA 74 Ca -0.28 -0.02 -0.59 0.00 0.00 0.00 0.00 54.91 54.02 1wuz h ALA 74 Cb 1.07 0.05 -0.39 0.00 0.00 0.00 0.00 17.79 18.52 1wuz h ALA 74 CO 1.16 -1.00 -0.77 -2.00 0.00 0.00 0.00 179.25 176.64 1wuz s GLU 75 N -5.06 1.25 -0.18 0.00 2.12 -1.26 -4.69 118.70 110.88 1wuz s GLU 75 Ca -0.06 -0.96 -0.03 0.00 0.36 0.00 0.00 54.97 54.29 1wuz s GLU 75 Cb 0.22 -2.44 -0.02 0.00 0.26 0.00 0.00 34.13 32.16 1wuz s GLU 75 CO 0.78 -0.70 -0.07 0.00 -0.54 0.00 0.00 175.26 174.73 1wuz s SER 77 N 0.85 6.32 -0.01 0.00 0.01 -1.26 -2.52 113.70 117.09 1wuz s SER 77 Ca -0.02 0.21 0.02 0.00 1.31 0.00 0.00 55.95 57.46 1wuz s SER 77 Cb -0.15 -1.92 0.00 0.00 0.21 0.00 0.00 66.02 64.17 1wuz s SER 77 CO 0.01 0.11 -0.05 -0.63 0.41 0.00 0.00 173.24 173.08 1wuz s ILE 78 N -1.63 0.45 -0.05 1.44 1.09 -0.47 -5.01 121.20 117.03 1wuz s ILE 78 Ca 0.35 -0.21 0.04 0.00 -1.10 0.00 0.00 60.65 59.72 1wuz s ILE 78 Cb -0.12 -0.41 -0.02 0.00 -1.06 0.00 0.00 42.46 40.85 1wuz s ILE 78 CO 0.28 0.14 -0.16 -1.00 -0.10 0.00 0.00 174.94 174.11 1wuz s HIS 79 N 0.08 2.66 0.04 3.97 3.76 -1.26 -1.84 115.29 122.71 1wuz s HIS 79 Ca -0.01 -0.22 -0.07 0.00 -0.15 0.00 0.00 55.06 54.61 1wuz s HIS 79 Cb -0.05 -1.63 -0.00 0.00 1.11 0.00 0.00 32.58 32.01 1wuz s HIS 79 CO -0.00 0.14 0.14 -1.17 -0.85 0.00 0.00 174.74 173.00 1wuz s LEU 80 N -0.66 1.60 -0.16 0.89 0.20 0.60 -4.87 118.68 116.29 1wuz s LEU 80 Ca 0.10 -0.47 -0.00 0.00 0.69 0.00 0.00 54.13 54.45 1wuz s LEU 80 Cb -0.11 0.77 0.04 0.00 -0.43 0.00 0.00 46.19 46.46 1wuz s LEU 80 CO 0.01 -0.54 -0.06 -1.61 -0.29 0.00 0.00 176.35 173.86 1wuz s GLU 81 N -2.65 1.48 -0.47 1.98 8.01 -0.72 -0.42 118.70 125.92 1wuz s GLU 81 Ca -0.05 -0.48 -0.20 0.00 0.01 0.00 0.00 54.97 54.25 1wuz s GLU 81 Cb -0.01 -1.95 0.04 0.00 -4.31 0.00 0.00 34.13 27.90 1wuz s GLU 81 CO -0.05 -0.40 0.64 0.08 0.01 0.00 0.00 175.26 175.55 1wuz s VAL 82 N 1.64 4.83 0.34 2.63 1.01 -0.73 -2.05 120.40 128.07 1wuz s VAL 82 Ca 0.01 -0.10 -0.25 0.00 0.00 0.00 0.00 61.98 61.64 1wuz s VAL 82 Cb -0.15 -4.24 -0.10 0.00 0.00 0.00 0.00 36.38 31.89 1wuz s VAL 82 CO -0.08 -0.68 0.95 -0.63 0.00 0.00 0.00 175.10 174.66 1wuz s ILE 83 N 2.78 4.20 -0.14 2.22 1.09 0.55 -0.66 121.20 131.24 1wuz s ILE 83 Ca 0.20 1.76 -0.10 0.00 -1.10 0.00 0.00 60.65 61.41 1wuz s ILE 83 Cb -0.16 -3.94 0.05 0.00 -1.06 0.00 0.00 42.46 37.35 1wuz s ILE 83 CO 0.16 0.08 0.36 0.68 -0.10 0.00 0.00 174.94 176.12 1wuz s VAL 84 N -1.69 -0.02 -0.30 2.92 -7.23 -0.70 -0.25 120.40 113.14 1wuz s VAL 84 Ca 0.52 0.06 -0.12 0.00 -1.81 0.00 0.00 61.98 60.63 1wuz s VAL 84 Cb -0.18 -0.52 -0.04 0.00 0.56 0.00 0.00 36.38 36.20 1wuz s VAL 84 CO 0.23 0.03 0.23 -0.62 -0.31 0.00 0.00 175.10 174.65 1wuz s ASP 85 N 0.84 6.06 -0.21 4.85 2.15 -0.58 -2.54 116.67 127.24 1wuz s ASP 85 Ca -0.05 -0.09 -0.04 0.00 0.43 0.00 0.00 52.55 52.79 1wuz s ASP 85 Cb -0.06 -2.14 0.01 0.00 -0.30 0.00 0.00 42.92 40.43 1wuz s ASP 85 CO -0.06 -0.13 0.16 0.54 -0.17 0.00 0.00 175.17 175.51 1wuz n ARG 86 N 5.12 -1.74 -1.36 4.34 1.74 -1.26 -3.92 116.66 119.58 1wuz n ARG 86 Ca -0.13 1.66 -0.31 0.00 -0.77 0.00 0.00 57.85 58.30 1wuz n ARG 86 Cb 0.51 -3.72 0.08 0.00 -1.02 0.00 0.00 32.46 28.32 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 -1.39 2.36 -0.56 5.56 0.04 -1.26 -4.67 135.00 135.07 1wuz s PRO 87 Ca 0.07 1.21 -0.21 0.00 0.04 0.00 0.00 61.00 62.10 1wuz s PRO 87 Cb -0.02 -1.91 0.06 0.00 0.04 0.00 0.00 34.50 32.68 1wuz s PRO 87 CO 0.45 -1.57 0.81 -0.51 0.04 0.00 0.00 177.00 176.22 1wuz s LEU 88 N -5.72 4.60 0.00 -3.56 2.01 -1.26 -4.66 118.68 110.10 1wuz s LEU 88 Ca 0.62 -0.80 -0.16 0.00 0.01 0.00 0.00 54.13 53.79 1wuz s LEU 88 Cb -0.18 -2.55 0.05 0.00 0.01 0.00 0.00 46.19 43.53 1wuz s LEU 88 CO 0.53 -1.15 0.73 0.00 1.01 0.00 0.00 176.35 177.48 1wuz n GLN 89 N 6.95 0.02 -4.26 1.70 10.64 -1.05 -5.06 117.38 126.32 1wuz n GLN 89 Ca -0.04 -0.31 -0.17 0.00 -1.83 0.00 0.00 57.00 54.66 1wuz n GLN 89 Cb 0.46 0.58 -0.11 0.00 -0.86 0.00 0.00 30.24 30.31 1wuz n GLN 89 CO 0.00 0.00 0.00 0.14 -1.83 0.00 0.00 177.06 175.37 1wuz s VAL 90 N -2.02 1.35 -0.24 -0.39 -7.23 -1.26 -1.72 120.40 108.90 1wuz s VAL 90 Ca 0.17 -1.88 -0.05 0.00 -1.81 0.00 0.00 61.98 58.42 1wuz s VAL 90 Cb -0.00 -1.69 -0.01 0.00 0.56 0.00 0.00 36.38 35.24 1wuz s VAL 90 CO -0.01 -0.53 -0.01 -0.36 -0.31 0.00 0.00 175.10 173.88 1wuz s PHE 91 N -2.57 3.01 -0.27 2.82 0.08 0.17 -4.89 117.98 116.32 1wuz s PHE 91 Ca 0.13 -0.93 -0.29 0.00 0.12 0.00 0.00 56.93 55.97 1wuz s PHE 91 Cb -0.02 -2.14 -0.02 0.00 -0.57 0.00 0.00 43.02 40.27 1wuz s PHE 91 CO 0.03 -0.54 1.69 -1.58 -0.10 0.00 0.00 175.22 174.72 1wuz s HIS 92 N 1.49 1.97 -0.09 0.36 2.46 -0.27 -1.78 115.29 119.43 1wuz s HIS 92 Ca 0.05 0.57 0.01 0.00 0.47 0.00 0.00 55.06 56.15 1wuz s HIS 92 Cb -0.15 -4.07 -0.03 0.00 -0.13 0.00 0.00 32.58 28.20 1wuz s HIS 92 CO -0.02 -2.94 -0.09 0.08 -2.47 0.00 0.00 174.74 169.30 1wuz s VAL 93 N 5.95 3.47 -0.22 0.89 1.01 0.44 -1.55 120.40 130.39 1wuz s VAL 93 Ca 0.75 -0.55 -0.03 0.00 0.00 0.00 0.00 61.98 62.15 1wuz s VAL 93 Cb -0.23 -2.43 0.07 0.00 0.00 0.00 0.00 36.38 33.79 1wuz s VAL 93 CO 0.32 0.57 0.07 -1.61 0.00 0.00 0.00 175.10 174.45 1wuz s GLU 94 N -0.42 0.44 -0.14 2.72 8.01 -0.17 -0.29 118.70 128.85 1wuz s GLU 94 Ca 0.06 -0.43 -0.03 0.00 0.01 0.00 0.00 54.97 54.57 1wuz s GLU 94 Cb -0.12 -1.88 -0.03 0.00 -4.31 0.00 0.00 34.13 27.79 1wuz s GLU 94 CO 0.02 -0.75 -0.02 0.14 0.01 0.00 0.00 175.26 174.66 1wuz s VAL 95 N 1.94 4.04 0.18 2.63 -7.23 -0.76 -1.43 120.40 119.76 1wuz s VAL 95 Ca 0.03 -0.32 0.08 0.00 -1.81 0.00 0.00 61.98 59.96 1wuz s VAL 95 Cb -0.17 -2.75 -0.04 0.00 0.56 0.00 0.00 36.38 33.98 1wuz s VAL 95 CO -0.15 0.52 -0.04 -1.61 -0.31 0.00 0.00 175.10 173.51 1wuz s GLU 96 N 0.03 2.25 0.00 4.82 2.02 -1.11 -1.37 118.70 125.35 1wuz s GLU 96 Ca 0.01 -1.18 -0.12 0.00 0.02 0.00 0.00 54.97 53.70 1wuz s GLU 96 Cb -0.13 -2.27 -0.05 0.00 0.10 0.00 0.00 34.13 31.78 1wuz s GLU 96 CO 0.02 0.44 0.36 0.14 0.02 0.00 0.00 175.26 176.25 1wuz s VAL 97 N -1.73 5.13 -0.21 2.63 -7.23 -1.05 -2.46 120.40 115.48 1wuz s VAL 97 Ca 0.26 0.62 -0.01 0.00 -1.81 0.00 0.00 61.98 61.05 1wuz s VAL 97 Cb -0.09 -3.64 0.02 0.00 0.56 0.00 0.00 36.38 33.22 1wuz s VAL 97 CO 0.17 0.50 -0.13 -0.60 -0.31 0.00 0.00 175.10 174.73 1wuz s ARG 98 N -1.31 3.01 -0.01 4.82 3.52 -0.91 -4.60 118.95 123.46 1wuz s ARG 98 Ca 0.25 -0.84 -0.09 0.00 -0.13 0.00 0.00 55.73 54.92 1wuz s ARG 98 Cb -0.15 -2.77 0.03 0.00 -1.56 0.00 0.00 34.95 30.50 1wuz s ARG 98 CO 0.13 -0.26 0.40 -0.25 -0.81 0.00 0.00 175.30 174.51 1wuz n ASP 99 N 4.66 -0.38 -4.40 -2.12 9.92 -1.26 -2.49 116.55 120.49 1wuz n ASP 99 Ca -0.19 -1.08 -0.24 0.00 -0.53 0.00 0.00 54.79 52.75 1wuz n ASP 99 Cb 0.49 0.58 -0.11 0.00 -0.64 0.00 0.00 41.12 41.44 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 -2.11 2.16 -0.14 0.53 -1.09 -1.26 -4.98 121.20 114.31 1wuz s ILE 100 Ca 0.10 -2.10 -0.26 0.00 -2.23 0.00 0.00 60.65 56.16 1wuz s ILE 100 Cb -0.00 -2.07 -0.23 0.00 -1.58 0.00 0.00 42.46 38.58 1wuz s ILE 100 CO -0.00 -0.29 0.68 -1.13 -1.23 0.00 0.00 174.94 172.98 1wuz h ASN 101 N 2.95 0.00 -0.14 3.58 -0.73 -1.91 -3.29 115.58 116.04 1wuz h ASN 101 Ca -0.43 -0.89 0.04 0.00 1.87 0.00 0.00 56.30 56.89 1wuz h ASN 101 Cb 1.22 0.00 -0.01 0.00 0.27 0.00 0.00 38.32 39.80 1wuz h ASN 101 CO 0.53 0.95 0.14 0.44 -0.37 0.00 0.00 177.43 179.11 1wuz h ASP 102 N -1.00 0.00 0.00 1.15 3.32 -1.98 -3.51 116.42 114.40 1wuz h ASP 102 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1wuz h ASP 102 Cb 0.90 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.45 1wuz h ASP 102 CO -0.00 0.00 0.00 0.59 -1.72 0.00 0.00 179.24 178.11