#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 2.82 0.00 1.61 0.02 -1.26 -5.04 114.94 113.09 1wuz s ASN 2 Ca 0.00 -0.86 0.12 0.00 -1.02 0.00 0.00 52.86 51.10 1wuz s ASN 2 Cb 0.00 -0.18 0.20 0.00 0.02 0.00 0.00 41.25 41.30 1wuz s ASN 2 CO 0.00 -0.00 1.03 -1.20 0.02 0.00 0.00 177.10 176.95 1wuz n SER 3 N 0.30 0.32 -4.41 -1.22 7.64 -1.26 -5.03 113.62 109.96 1wuz n SER 3 Ca -0.13 -1.91 -0.44 0.00 1.01 0.00 0.00 58.87 57.40 1wuz n SER 3 Cb 0.57 -0.16 -0.05 0.00 -1.01 0.00 0.00 64.21 63.56 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 0.00 3.09 0.02 1.43 0.74 -1.26 -1.04 119.66 122.64 1wuz s GLN 4 Ca 0.16 -1.08 0.03 0.00 0.05 0.00 0.00 55.36 54.52 1wuz s GLN 4 Cb 0.18 -4.19 -0.01 0.00 1.10 0.00 0.00 33.01 30.09 1wuz s GLN 4 CO -0.08 -1.44 -0.09 0.42 -0.55 0.00 0.00 175.29 173.55 1wuz s ILE 5 N 2.82 0.72 0.03 -2.34 -1.09 -0.63 -5.05 121.20 115.67 1wuz s ILE 5 Ca 0.14 -0.70 0.00 0.00 -2.23 0.00 0.00 60.65 57.87 1wuz s ILE 5 Cb -0.21 -0.67 -0.02 0.00 -1.58 0.00 0.00 42.46 39.98 1wuz s ILE 5 CO 0.09 -0.01 -0.04 -1.38 -1.23 0.00 0.00 174.94 172.37 1wuz s HIS 6 N -0.66 0.38 0.30 3.97 -3.43 -1.26 -0.76 115.29 113.83 1wuz s HIS 6 Ca -0.01 -0.63 0.03 0.00 -0.80 0.00 0.00 55.06 53.65 1wuz s HIS 6 Cb -0.06 -0.26 -0.06 0.00 -1.43 0.00 0.00 32.58 30.77 1wuz s HIS 6 CO 0.00 -0.21 0.06 0.71 -2.00 0.00 0.00 174.74 173.31 1wuz s TYR 7 N -1.95 1.83 -0.07 0.38 2.02 -0.24 -4.90 117.35 114.41 1wuz s TYR 7 Ca -0.10 -1.01 0.04 0.00 -0.37 0.00 0.00 57.07 55.62 1wuz s TYR 7 Cb -0.06 -1.16 0.00 0.00 -0.40 0.00 0.00 41.96 40.34 1wuz s TYR 7 CO -0.03 -0.08 -0.19 -1.54 -1.57 0.00 0.00 175.55 172.14 1wuz s SER 8 N -3.43 2.47 -0.10 2.29 1.04 -0.87 -2.69 113.70 112.41 1wuz s SER 8 Ca 0.36 -0.43 -0.05 0.00 0.48 0.00 0.00 55.95 56.32 1wuz s SER 8 Cb 0.08 -1.02 0.05 0.00 0.10 0.00 0.00 66.02 65.23 1wuz s SER 8 CO 0.15 0.12 0.23 -0.51 0.98 0.00 0.00 173.24 174.21 1wuz s ILE 9 N 0.36 -0.06 0.13 -1.02 -1.16 -1.05 -4.35 121.20 114.05 1wuz s ILE 9 Ca -0.14 0.16 -0.31 0.00 -0.51 0.00 0.00 60.65 59.86 1wuz s ILE 9 Cb -0.16 -0.36 -0.08 0.00 0.61 0.00 0.00 42.46 42.48 1wuz s ILE 9 CO 0.06 0.07 1.35 -2.16 -2.81 0.00 0.00 174.94 171.45 1wuz s PRO 10 N 1.31 4.35 0.96 3.50 0.04 -1.26 -2.45 135.00 141.43 1wuz s PRO 10 Ca -0.09 2.04 -0.15 0.00 0.04 0.00 0.00 61.00 62.84 1wuz s PRO 10 Cb -0.11 -3.25 -0.04 0.00 0.04 0.00 0.00 34.50 31.14 1wuz s PRO 10 CO -0.08 -0.38 -0.09 -1.91 0.04 0.00 0.00 177.00 174.58 1wuz n GLU 11 N 3.69 -0.15 -1.91 4.56 2.13 -1.00 -2.55 120.64 125.41 1wuz n GLU 11 Ca 0.10 -0.02 -0.16 0.00 0.66 0.00 0.00 57.16 57.74 1wuz n GLU 11 Cb 0.43 -1.50 -0.04 0.00 0.27 0.00 0.00 31.44 30.60 1wuz n GLU 11 CO 0.00 0.00 0.00 -1.91 -0.41 0.00 0.00 177.13 174.81 1wuz n GLU 12 N 0.07 -1.23 -2.09 5.31 0.00 -1.06 -4.91 120.64 116.74 1wuz n GLU 12 Ca 0.03 0.93 -0.42 0.00 0.00 0.00 0.00 57.16 57.70 1wuz n GLU 12 Cb 0.54 -5.24 -0.03 0.00 0.00 0.00 0.00 31.44 26.72 1wuz n GLU 12 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 1wuz s ALA 13 N -2.72 3.63 0.82 4.31 0.00 -1.06 -4.81 121.76 121.93 1wuz s ALA 13 Ca 0.00 0.88 -0.12 0.00 0.00 0.00 0.00 51.96 52.72 1wuz s ALA 13 Cb 0.00 -3.70 0.09 0.00 0.00 0.00 0.00 23.12 19.50 1wuz s ALA 13 CO 0.00 -1.28 1.13 0.15 0.00 0.00 0.00 175.76 175.77 1wuz s LYS 14 N 3.63 1.87 -0.11 0.00 1.02 -1.26 -4.50 119.74 120.38 1wuz s LYS 14 Ca 0.69 0.36 -0.31 0.00 0.02 0.00 0.00 55.97 56.73 1wuz s LYS 14 Cb -0.32 -1.92 -0.09 0.00 -0.52 0.00 0.00 37.83 34.98 1wuz s LYS 14 CO 0.27 -1.71 2.03 0.72 -0.92 0.00 0.00 175.35 175.74 1wuz n HIS 15 N -3.44 2.23 0.00 3.18 8.25 -1.26 -1.33 115.22 122.84 1wuz n HIS 15 Ca 0.07 -0.14 0.00 0.00 -0.26 0.00 0.00 57.72 57.39 1wuz n HIS 15 Cb 0.59 -2.72 0.00 0.00 1.12 0.00 0.00 29.99 28.98 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 5.02 1.05 3.77 -1.41 0.00 -0.95 -4.96 105.19 107.70 1wuz n GLY 16 Ca 0.25 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.89 1wuz n GLY 16 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1wuz s THR 17 N -2.00 3.38 0.25 2.61 2.01 -0.44 -4.71 115.64 116.74 1wuz s THR 17 Ca 0.00 1.23 -0.30 0.00 0.31 0.00 0.00 61.69 62.93 1wuz s THR 17 Cb 0.00 -3.72 -0.09 0.00 0.01 0.00 0.00 72.50 68.70 1wuz s THR 17 CO 0.00 0.17 1.30 0.12 -0.69 0.00 0.00 174.62 175.52 1wuz s PHE 18 N -1.36 3.21 0.00 4.92 5.36 -1.26 -1.96 117.98 126.89 1wuz s PHE 18 Ca 0.52 1.31 0.00 0.00 -0.96 0.00 0.00 56.93 57.80 1wuz s PHE 18 Cb -0.30 -3.61 0.00 0.00 -0.34 0.00 0.00 43.02 38.77 1wuz s PHE 18 CO 0.38 -1.81 0.00 0.28 -1.46 0.00 0.00 175.22 172.61 1wuz n VAL 19 N 1.90 0.00 0.00 3.12 0.31 -0.73 -4.67 118.33 118.27 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 -1.15 0.00 0.00 -0.91 0.00 0.00 33.84 32.21 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 2.72 3.15 3.52 2.92 0.00 -1.25 -2.05 105.19 114.20 1wuz n GLY 20 Ca 0.00 0.06 -0.39 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 0.00 0.44 -0.13 1.61 1.74 -1.26 -3.49 116.66 115.56 1wuz n ARG 21 Ca 0.00 -0.00 -0.13 0.00 -0.77 0.00 0.00 57.85 56.95 1wuz n ARG 21 Cb 0.00 -2.33 -0.02 0.00 -1.02 0.00 0.00 32.46 29.09 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 7.88 1.27 -0.32 0.55 2.10 -1.85 -2.42 117.51 124.71 1wuz h ILE 22 Ca -0.13 -1.51 -0.16 0.00 1.08 0.00 0.00 64.86 64.15 1wuz h ILE 22 Cb 1.29 1.29 -0.00 0.00 -1.09 0.00 0.00 36.82 38.31 1wuz h ILE 22 CO 1.29 0.51 -0.42 0.00 -1.08 0.00 0.00 178.15 178.46 1wuz h ALA 23 N 0.80 0.48 -0.78 0.18 0.00 -1.85 -2.02 119.26 116.08 1wuz h ALA 23 Ca 0.08 -0.46 -0.01 0.00 0.00 0.00 0.00 54.91 54.52 1wuz h ALA 23 Cb 0.93 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 18.59 1wuz h ALA 23 CO 0.09 0.60 0.46 0.37 0.00 0.00 0.00 179.25 180.77 1wuz h GLN 24 N 0.63 1.06 0.00 0.00 5.75 -1.81 0.27 115.11 121.01 1wuz h GLN 24 Ca 0.04 -0.10 0.00 0.00 -0.15 0.00 0.00 58.65 58.43 1wuz h GLN 24 Cb 1.01 -0.22 0.00 0.00 1.07 0.00 0.00 27.48 29.34 1wuz h GLN 24 CO 0.10 0.76 0.00 -0.44 -2.65 0.00 0.00 178.83 176.60 1wuz h ASP 25 N 1.06 0.00 0.19 -0.69 3.32 -1.41 -3.21 116.42 115.68 1wuz h ASP 25 Ca 0.28 0.00 -0.35 0.00 0.02 0.00 0.00 57.03 56.97 1wuz h ASP 25 Cb -0.02 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.53 1wuz h ASP 25 CO -0.05 0.00 -1.80 -0.07 -1.72 0.00 0.00 179.24 175.60 1wuz h LEU 26 N 0.00 0.57 -0.38 1.55 4.07 -0.52 -3.49 115.31 117.11 1wuz h LEU 26 Ca 0.00 -0.93 0.00 0.00 0.08 0.00 0.00 57.88 57.03 1wuz h LEU 26 Cb 0.73 -0.19 0.00 0.00 1.08 0.00 0.00 40.66 42.28 1wuz h LEU 26 CO 0.00 1.79 0.00 0.61 -1.08 0.00 0.00 178.44 179.76 1wuz n GLY 27 N 1.89 0.99 3.03 0.83 0.00 0.87 -5.08 105.19 107.71 1wuz n GLY 27 Ca -0.26 -0.26 -0.17 0.00 0.00 0.00 0.00 46.02 45.33 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 -0.38 2.08 0.33 0.99 0.05 -1.17 -5.08 118.68 115.51 1wuz s LEU 28 Ca 0.00 -0.26 -0.27 0.00 0.05 0.00 0.00 54.13 53.65 1wuz s LEU 28 Cb 0.00 -0.36 -0.09 0.00 -2.05 0.00 0.00 46.19 43.68 1wuz s LEU 28 CO 0.00 0.02 1.06 -1.61 -0.55 0.00 0.00 176.35 175.27 1wuz s GLU 29 N -0.58 4.44 0.60 1.48 2.02 -1.26 -4.71 118.70 120.69 1wuz s GLU 29 Ca 0.00 1.63 0.31 0.00 0.02 0.00 0.00 54.97 56.93 1wuz s GLU 29 Cb -0.05 -2.89 1.85 0.00 0.10 0.00 0.00 34.13 33.15 1wuz s GLU 29 CO 0.00 0.08 2.23 -0.07 0.02 0.00 0.00 175.26 177.52 1wuz h LEU 30 N 3.22 0.00 -0.41 1.80 3.38 -1.96 0.24 115.31 121.58 1wuz h LEU 30 Ca -0.47 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.50 1wuz h LEU 30 Cb 1.21 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.96 1wuz h LEU 30 CO 0.65 0.00 0.00 0.41 0.09 0.00 0.00 178.44 179.59 1wuz n THR 31 N -3.73 0.06 0.03 0.22 -1.04 -1.26 -3.34 114.28 105.22 1wuz n THR 31 Ca -0.02 -0.12 0.04 0.00 -2.04 0.00 0.00 64.05 61.90 1wuz n THR 31 Cb 0.14 -0.06 -0.05 0.00 -1.82 0.00 0.00 70.33 68.54 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 -0.41 0.61 -0.15 -2.82 4.07 0.80 -4.62 120.64 118.12 1wuz n GLU 32 Ca 0.17 -0.06 -0.10 0.00 -0.06 0.00 0.00 57.16 57.10 1wuz n GLU 32 Cb 0.17 -1.14 -0.01 0.00 -0.06 0.00 0.00 31.44 30.40 1wuz n GLU 32 CO 0.00 0.00 0.00 -0.07 -0.06 0.00 0.00 177.13 177.00 1wuz h LEU 33 N 0.00 0.76 0.16 4.31 4.07 -1.49 -1.21 115.31 121.91 1wuz h LEU 33 Ca 0.00 -0.32 0.01 0.00 0.08 0.00 0.00 57.88 57.65 1wuz h LEU 33 Cb 0.31 -0.20 -0.04 0.00 1.08 0.00 0.00 40.66 41.80 1wuz h LEU 33 CO 0.00 0.90 -0.45 0.58 -1.08 0.00 0.00 178.44 178.39 1wuz h VAL 34 N 0.60 0.11 0.00 1.22 2.07 -1.82 -1.31 116.25 117.11 1wuz h VAL 34 Ca 0.12 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.64 1wuz h VAL 34 Cb 0.53 0.11 0.00 0.00 -1.52 0.00 0.00 31.29 30.41 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 -0.71 0.00 -0.38 1.57 0.13 -1.82 -2.45 132.00 128.33 1wuz h PRO 35 Ca 0.01 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.14 1wuz h PRO 35 Cb 0.72 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.85 1wuz h PRO 35 CO -0.23 0.00 0.00 0.54 -0.23 0.00 0.00 178.00 178.08 1wuz n ARG 36 N -2.45 1.89 -3.88 0.86 1.74 -0.46 -4.90 116.66 109.46 1wuz n ARG 36 Ca 0.02 -1.27 -0.31 0.00 -0.77 0.00 0.00 57.85 55.51 1wuz n ARG 36 Cb 0.24 -1.32 0.01 0.00 -1.02 0.00 0.00 32.46 30.37 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 0.50 -2.11 -4.72 0.55 7.99 -0.92 -1.53 117.00 116.76 1wuz n LEU 37 Ca 0.12 -1.07 -0.42 0.00 -0.01 0.00 0.00 56.01 54.63 1wuz n LEU 37 Cb 0.32 -2.17 -0.03 0.00 -0.11 0.00 0.00 43.42 41.44 1wuz n LEU 37 CO 0.09 0.51 1.21 0.12 -1.51 0.00 0.00 177.39 177.81 1wuz s PHE 38 N -3.71 3.08 -0.07 -1.77 5.36 -0.96 -2.63 117.98 117.27 1wuz s PHE 38 Ca 0.27 0.66 -0.06 0.00 -0.96 0.00 0.00 56.93 56.84 1wuz s PHE 38 Cb -0.11 -3.90 0.02 0.00 -0.34 0.00 0.00 43.02 38.69 1wuz s PHE 38 CO 0.90 -3.31 0.18 1.03 -1.46 0.00 0.00 175.22 172.56 1wuz s ARG 39 N 1.12 0.20 -0.11 10.12 1.81 -0.06 -5.01 118.95 127.01 1wuz s ARG 39 Ca 0.69 0.29 -0.05 0.00 -1.72 0.00 0.00 55.73 54.95 1wuz s ARG 39 Cb -0.43 0.06 -0.04 0.00 -0.45 0.00 0.00 34.95 34.09 1wuz s ARG 39 CO 0.31 -0.05 0.07 0.08 -0.68 0.00 0.00 175.30 175.03 1wuz s VAL 40 N 0.31 4.90 -0.02 3.52 1.01 -1.26 -0.62 120.40 128.24 1wuz s VAL 40 Ca -0.02 -0.02 -0.05 0.00 0.00 0.00 0.00 61.98 61.89 1wuz s VAL 40 Cb -0.03 -3.11 0.00 0.00 0.00 0.00 0.00 36.38 33.24 1wuz s VAL 40 CO -0.01 0.59 0.12 0.00 0.00 0.00 0.00 175.10 175.80 1wuz s ALA 41 N -0.77 -0.27 0.10 5.51 0.00 -0.69 -4.88 121.76 120.74 1wuz s ALA 41 Ca 0.13 0.01 0.03 0.00 0.00 0.00 0.00 51.96 52.13 1wuz s ALA 41 Cb -0.12 -0.02 -0.04 0.00 0.00 0.00 0.00 23.12 22.95 1wuz s ALA 41 CO 0.03 -0.14 -0.08 0.45 0.00 0.00 0.00 175.76 176.01 1wuz s SER 42 N -0.81 1.26 -0.15 0.00 0.15 -1.24 -1.11 113.70 111.80 1wuz s SER 42 Ca -0.09 -0.90 -0.05 0.00 0.70 0.00 0.00 55.95 55.61 1wuz s SER 42 Cb -0.05 0.05 -0.24 0.00 -1.71 0.00 0.00 66.02 64.07 1wuz s SER 42 CO 0.01 -0.36 0.25 2.29 1.20 0.00 0.00 173.24 176.62 1wuz n LYS 43 N 0.29 0.73 0.00 5.44 2.85 -1.26 -3.30 118.16 122.91 1wuz n LYS 43 Ca -0.14 0.25 0.00 0.00 -1.05 0.00 0.00 58.31 57.36 1wuz n LYS 43 Cb 0.59 -1.67 0.00 0.00 -0.65 0.00 0.00 35.03 33.30 1wuz n LYS 43 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 177.40 177.10 1wuz n ASP 44 N -3.47 0.00 -0.00 -5.58 9.92 -1.26 -4.51 116.55 111.65 1wuz n ASP 44 Ca -0.35 0.74 0.01 0.00 -0.53 0.00 0.00 54.79 54.66 1wuz n ASP 44 Cb 1.03 -0.24 -0.02 0.00 -0.64 0.00 0.00 41.12 41.25 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 -1.39 1.41 0.00 -1.24 1.74 -1.26 -5.01 116.66 110.91 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 -0.98 0.00 0.00 -1.02 0.00 0.00 32.46 30.46 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 2.05 2.23 2.30 -0.13 0.00 -1.21 -4.89 105.19 105.54 1wuz n GLY 46 Ca -0.00 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.79 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 1.29 -0.01 1.61 2.03 -1.26 -3.63 116.55 116.57 1wuz n ASP 47 Ca 0.00 -3.01 -0.21 0.00 0.52 0.00 0.00 54.79 52.09 1wuz n ASP 47 Cb 0.00 -0.63 -0.13 0.00 -0.72 0.00 0.00 41.12 39.64 1wuz n ASP 47 CO 0.00 0.00 0.00 -0.07 -1.92 0.00 0.00 177.20 175.21 1wuz h LEU 48 N 3.51 0.31 -8.26 -2.67 3.38 -1.90 -3.40 115.31 106.28 1wuz h LEU 48 Ca 0.10 -0.82 -0.08 0.00 0.09 0.00 0.00 57.88 57.18 1wuz h LEU 48 Cb 0.85 -0.10 -0.09 0.00 0.09 0.00 0.00 40.66 41.41 1wuz h LEU 48 CO 0.56 1.61 -0.12 -0.76 0.09 0.00 0.00 178.44 179.82 1wuz s LEU 49 N -7.56 0.37 0.03 1.67 1.02 -1.26 -2.42 118.68 110.52 1wuz s LEU 49 Ca -0.22 -0.99 -0.03 0.00 0.02 0.00 0.00 54.13 52.92 1wuz s LEU 49 Cb 0.05 1.77 -0.02 0.00 0.02 0.00 0.00 46.19 48.00 1wuz s LEU 49 CO 0.74 -1.17 0.03 -1.61 0.02 0.00 0.00 176.35 174.36 1wuz s GLU 50 N -3.88 0.48 -0.10 1.70 2.02 -1.07 -4.87 118.70 112.98 1wuz s GLU 50 Ca 0.23 -0.74 -0.04 0.00 0.02 0.00 0.00 54.97 54.44 1wuz s GLU 50 Cb -0.01 0.18 -0.04 0.00 0.10 0.00 0.00 34.13 34.37 1wuz s GLU 50 CO 0.10 -0.10 0.07 0.54 0.02 0.00 0.00 175.26 175.89 1wuz s VAL 51 N -2.28 4.92 -0.26 2.63 0.11 -1.26 -2.35 120.40 121.90 1wuz s VAL 51 Ca -0.08 -0.03 -0.07 0.00 -2.93 0.00 0.00 61.98 58.87 1wuz s VAL 51 Cb -0.03 -3.12 -0.02 0.00 -1.53 0.00 0.00 36.38 31.68 1wuz s VAL 51 CO -0.04 0.60 0.08 0.21 -3.33 0.00 0.00 175.10 172.62 1wuz s ASN 52 N -1.00 5.14 0.20 3.54 3.04 -1.05 -4.96 114.94 119.86 1wuz s ASN 52 Ca 0.15 -0.32 0.18 0.00 0.04 0.00 0.00 52.86 52.90 1wuz s ASN 52 Cb -0.12 -1.92 0.84 0.00 -1.54 0.00 0.00 41.25 38.52 1wuz s ASN 52 CO 0.04 -0.07 1.55 0.18 -3.04 0.00 0.00 177.10 175.75 1wuz n LEU 53 N 4.92 0.43 0.14 3.21 4.32 -1.26 0.01 117.00 128.77 1wuz n LEU 53 Ca -0.16 0.65 -0.17 0.00 -0.02 0.00 0.00 56.01 56.32 1wuz n LEU 53 Cb 0.51 -0.64 -0.10 0.00 -1.62 0.00 0.00 43.42 41.57 1wuz n LEU 53 CO 0.31 -0.64 0.52 -0.61 -1.22 0.00 0.00 177.39 175.75 1wuz h GLN 54 N 0.00 -0.76 0.00 3.23 5.75 -1.94 -3.35 115.11 118.04 1wuz h GLN 54 Ca 0.00 0.05 0.00 0.00 -0.15 0.00 0.00 58.65 58.55 1wuz h GLN 54 Cb 0.17 0.17 0.00 0.00 1.07 0.00 0.00 27.48 28.90 1wuz h GLN 54 CO 0.00 -0.51 0.00 0.09 -2.65 0.00 0.00 178.83 175.76 1wuz n ASN 55 N -5.44 0.66 0.00 -0.69 3.02 -1.20 -4.99 115.26 106.62 1wuz n ASN 55 Ca -0.09 -0.99 0.00 0.00 -0.03 0.00 0.00 54.58 53.47 1wuz n ASN 55 Cb 0.42 0.01 0.00 0.00 -0.61 0.00 0.00 39.78 39.60 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 0.01 1.61 3.76 7.41 0.00 0.10 -4.96 105.19 113.12 1wuz n GLY 56 Ca 0.00 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.66 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 -3.39 2.84 -0.26 -0.61 1.10 -1.24 -3.02 121.20 116.61 1wuz s ILE 57 Ca 0.00 0.56 -0.12 0.00 -0.51 0.00 0.00 60.65 60.58 1wuz s ILE 57 Cb 0.00 -3.25 -0.05 0.00 0.15 0.00 0.00 42.46 39.31 1wuz s ILE 57 CO 0.00 -0.07 0.22 -0.22 -2.11 0.00 0.00 174.94 172.75 1wuz s LEU 58 N -3.66 4.06 0.13 8.50 1.98 -1.23 -2.53 118.68 125.94 1wuz s LEU 58 Ca 0.72 0.10 0.06 0.00 -2.89 0.00 0.00 54.13 52.11 1wuz s LEU 58 Cb -0.29 -2.18 -0.04 0.00 0.66 0.00 0.00 46.19 44.34 1wuz s LEU 58 CO 0.33 -0.03 0.03 0.72 -1.89 0.00 0.00 176.35 175.51 1wuz s PHE 59 N 1.56 2.99 0.31 5.38 -0.71 -0.99 -1.77 117.98 124.75 1wuz s PHE 59 Ca 0.09 -0.06 -0.27 0.00 -1.04 0.00 0.00 56.93 55.66 1wuz s PHE 59 Cb -0.15 -1.48 -0.10 0.00 -1.21 0.00 0.00 43.02 40.08 1wuz s PHE 59 CO 0.09 0.50 0.95 0.08 -1.34 0.00 0.00 175.22 175.50 1wuz s VAL 60 N -1.54 4.14 -0.36 -2.49 1.01 -0.83 -2.60 120.40 117.75 1wuz s VAL 60 Ca 0.28 1.83 0.14 0.00 0.00 0.00 0.00 61.98 64.22 1wuz s VAL 60 Cb -0.11 -4.04 0.43 0.00 0.00 0.00 0.00 36.38 32.67 1wuz s VAL 60 CO 0.20 0.19 1.13 -3.20 0.00 0.00 0.00 175.10 173.42 1wuz n ASN 61 N 0.67 -0.06 -3.57 3.32 2.85 -1.02 -2.23 115.26 115.22 1wuz n ASN 61 Ca 0.01 -2.60 -0.03 0.00 -0.11 0.00 0.00 54.58 51.85 1wuz n ASN 61 Cb 0.49 0.17 0.00 0.00 1.24 0.00 0.00 39.78 41.68 1wuz n ASN 61 CO 0.00 0.00 0.00 -0.55 -2.11 0.00 0.00 177.26 174.60 1wuz s SER 62 N -2.26 -0.09 -0.24 1.20 0.15 -1.08 -4.42 113.70 106.95 1wuz s SER 62 Ca 0.25 -0.52 -0.29 0.00 0.70 0.00 0.00 55.95 56.09 1wuz s SER 62 Cb 0.43 0.48 -0.03 0.00 -1.71 0.00 0.00 66.02 65.20 1wuz s SER 62 CO -0.02 -0.92 1.70 -0.13 1.20 0.00 0.00 173.24 175.07 1wuz s ARG 63 N -2.77 3.66 -0.01 5.44 1.81 -1.26 -4.82 118.95 120.99 1wuz s ARG 63 Ca 0.16 1.65 0.13 0.00 -1.72 0.00 0.00 55.73 55.95 1wuz s ARG 63 Cb -0.02 -4.10 -0.19 0.00 -0.45 0.00 0.00 34.95 30.20 1wuz s ARG 63 CO 0.03 -1.46 0.34 -0.89 -0.68 0.00 0.00 175.30 172.64 1wuz n ILE 64 N 6.71 0.00 -1.71 1.52 2.08 -1.26 -4.11 119.36 122.58 1wuz n ILE 64 Ca 0.20 -0.27 -0.39 0.00 0.56 0.00 0.00 62.75 62.84 1wuz n ILE 64 Cb 0.45 0.39 0.03 0.00 -0.75 0.00 0.00 39.64 39.76 1wuz n ILE 64 CO 0.00 0.00 0.00 -0.67 0.56 0.00 0.00 176.55 176.44 1wuz n ASP 65 N -1.80 2.46 -0.13 4.38 2.03 -1.26 -2.55 116.55 119.68 1wuz n ASP 65 Ca -0.01 1.01 0.28 0.00 0.52 0.00 0.00 54.79 56.59 1wuz n ASP 65 Cb 0.30 -1.53 0.69 0.00 -0.72 0.00 0.00 41.12 39.86 1wuz n ASP 65 CO 0.00 0.00 0.00 0.08 -1.92 0.00 0.00 177.20 175.36 1wuz h ARG 66 N 1.61 0.00 0.12 -0.67 0.11 -1.95 0.50 114.38 114.10 1wuz h ARG 66 Ca -0.49 0.00 -0.00 0.00 0.10 0.00 0.00 59.98 59.58 1wuz h ARG 66 Cb 1.31 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 32.38 1wuz h ARG 66 CO 0.58 0.00 -0.14 0.93 0.10 0.00 0.00 179.97 181.43 1wuz h GLU 67 N 0.00 -0.26 0.20 0.08 5.08 -1.89 0.43 114.58 118.22 1wuz h GLU 67 Ca 0.40 0.02 -0.33 0.00 -1.00 0.00 0.00 59.36 58.45 1wuz h GLU 67 Cb 1.93 0.06 0.02 0.00 0.50 0.00 0.00 28.75 31.25 1wuz h GLU 67 CO -0.00 -0.17 -1.57 0.93 -1.00 0.00 0.00 179.01 177.19 1wuz h GLU 68 N -0.27 0.41 0.00 2.33 3.07 -1.72 -3.39 114.58 115.02 1wuz h GLU 68 Ca -0.01 -0.71 0.00 0.00 -0.50 0.00 0.00 59.36 58.14 1wuz h GLU 68 Cb 0.24 0.26 0.00 0.00 -0.84 0.00 0.00 28.75 28.41 1wuz h GLU 68 CO -0.03 1.32 0.00 -0.11 -1.40 0.00 0.00 179.01 178.79 1wuz n LEU 69 N -3.61 0.00 0.11 1.33 -0.00 0.17 -4.87 117.00 110.13 1wuz n LEU 69 Ca -0.19 0.93 0.00 0.00 -0.00 0.00 0.00 56.01 56.75 1wuz n LEU 69 Cb 1.08 -0.43 0.00 0.00 -0.00 0.00 0.00 43.42 44.07 1wuz n LEU 69 CO 0.55 -0.43 0.00 0.00 -0.00 0.00 0.00 177.39 177.51 1wuz n GLY 71 N -1.05 1.57 0.32 0.00 0.00 0.15 -4.31 105.19 101.87 1wuz n GLY 71 Ca 0.00 -0.01 0.16 0.00 0.00 0.00 0.00 46.02 46.17 1wuz n GLY 71 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 1wuz h ARG 72 N 0.00 0.00 -5.92 1.61 0.11 -1.95 -3.40 114.38 104.84 1wuz h ARG 72 Ca 0.00 0.00 -0.68 0.00 0.10 0.00 0.00 59.98 59.40 1wuz h ARG 72 Cb 0.00 0.00 -0.24 0.00 1.11 0.00 0.00 29.97 30.84 1wuz h ARG 72 CO 0.00 0.00 -0.76 0.45 0.10 0.00 0.00 179.97 179.76 1wuz s SER 73 N -5.95 4.09 -0.02 0.08 0.15 -1.26 -5.03 113.70 105.76 1wuz s SER 73 Ca -0.05 -0.23 -0.25 0.00 0.70 0.00 0.00 55.95 56.12 1wuz s SER 73 Cb 0.15 -1.18 -0.20 0.00 -1.71 0.00 0.00 66.02 63.09 1wuz s SER 73 CO 0.56 0.28 1.26 0.00 1.20 0.00 0.00 173.24 176.53 1wuz h ALA 74 N 5.87 0.03 -3.65 5.45 0.00 -1.86 -3.42 119.26 121.67 1wuz h ALA 74 Ca -0.39 -0.27 -0.67 0.00 0.00 0.00 0.00 54.91 53.58 1wuz h ALA 74 Cb 1.18 -0.01 -0.35 0.00 0.00 0.00 0.00 17.79 18.61 1wuz h ALA 74 CO 0.53 -0.20 -0.77 -1.21 0.00 0.00 0.00 179.25 177.59 1wuz s GLU 75 N -4.17 2.41 0.09 0.00 2.02 -1.26 -4.18 118.70 113.60 1wuz s GLU 75 Ca -0.16 -1.25 0.06 0.00 0.02 0.00 0.00 54.97 53.64 1wuz s GLU 75 Cb 0.02 -2.95 -0.04 0.00 0.10 0.00 0.00 34.13 31.26 1wuz s GLU 75 CO 0.69 -0.54 -0.08 0.00 0.02 0.00 0.00 175.26 175.35 1wuz s SER 77 N -2.09 5.88 -0.02 0.00 1.04 -1.26 -2.60 113.70 114.64 1wuz s SER 77 Ca 0.21 0.05 0.03 0.00 0.48 0.00 0.00 55.95 56.72 1wuz s SER 77 Cb -0.11 -1.66 -0.00 0.00 0.10 0.00 0.00 66.02 64.34 1wuz s SER 77 CO 0.13 0.11 -0.09 -0.63 0.98 0.00 0.00 173.24 173.74 1wuz s ILE 78 N -1.62 0.79 -0.03 -1.02 1.09 -0.47 -5.01 121.20 114.93 1wuz s ILE 78 Ca 0.32 -0.39 0.05 0.00 -1.10 0.00 0.00 60.65 59.53 1wuz s ILE 78 Cb -0.11 -0.68 -0.03 0.00 -1.06 0.00 0.00 42.46 40.58 1wuz s ILE 78 CO 0.25 0.24 -0.16 -1.00 -0.10 0.00 0.00 174.94 174.17 1wuz s HIS 79 N 0.03 2.64 0.04 3.97 3.76 -1.26 -1.69 115.29 122.78 1wuz s HIS 79 Ca -0.00 -0.20 -0.07 0.00 -0.15 0.00 0.00 55.06 54.63 1wuz s HIS 79 Cb -0.07 -1.59 -0.00 0.00 1.11 0.00 0.00 32.58 32.03 1wuz s HIS 79 CO 0.00 0.18 0.14 -1.17 -0.85 0.00 0.00 174.74 173.04 1wuz s LEU 80 N -0.87 1.61 -0.17 0.89 0.20 0.71 -4.51 118.68 116.55 1wuz s LEU 80 Ca 0.12 -0.45 -0.01 0.00 0.69 0.00 0.00 54.13 54.49 1wuz s LEU 80 Cb -0.11 0.75 0.04 0.00 -0.43 0.00 0.00 46.19 46.45 1wuz s LEU 80 CO 0.01 -0.52 -0.03 -1.61 -0.29 0.00 0.00 176.35 173.91 1wuz s GLU 81 N -2.52 1.26 -0.47 1.98 2.02 -0.27 -0.50 118.70 120.20 1wuz s GLU 81 Ca -0.06 -0.49 -0.21 0.00 0.02 0.00 0.00 54.97 54.23 1wuz s GLU 81 Cb -0.01 -1.99 0.04 0.00 0.10 0.00 0.00 34.13 32.26 1wuz s GLU 81 CO -0.04 -0.47 0.69 0.08 0.02 0.00 0.00 175.26 175.54 1wuz s VAL 82 N 1.68 4.77 0.04 2.63 1.01 -0.61 -1.71 120.40 128.20 1wuz s VAL 82 Ca 0.00 -0.01 -0.24 0.00 0.00 0.00 0.00 61.98 61.74 1wuz s VAL 82 Cb -0.16 -4.29 -0.06 0.00 0.00 0.00 0.00 36.38 31.88 1wuz s VAL 82 CO -0.07 -0.74 0.71 -0.51 0.00 0.00 0.00 175.10 174.49 1wuz s ILE 83 N 2.96 4.76 -0.03 2.22 -1.16 0.21 -0.65 121.20 129.52 1wuz s ILE 83 Ca 0.22 1.52 0.03 0.00 -0.51 0.00 0.00 60.65 61.91 1wuz s ILE 83 Cb -0.15 -4.06 -0.00 0.00 0.61 0.00 0.00 42.46 38.86 1wuz s ILE 83 CO 0.17 0.39 -0.11 0.68 -2.81 0.00 0.00 174.94 173.26 1wuz s VAL 84 N -0.16 0.92 -0.32 4.00 -7.23 -0.32 -0.88 120.40 116.41 1wuz s VAL 84 Ca 0.36 -0.45 -0.08 0.00 -1.81 0.00 0.00 61.98 60.00 1wuz s VAL 84 Cb -0.20 -0.80 0.01 0.00 0.56 0.00 0.00 36.38 35.95 1wuz s VAL 84 CO 0.21 0.28 0.13 -0.62 -0.31 0.00 0.00 175.10 174.79 1wuz s ASP 85 N 0.08 5.39 -0.22 4.85 2.15 -0.58 -2.29 116.67 126.05 1wuz s ASP 85 Ca -0.02 -0.70 -0.05 0.00 0.43 0.00 0.00 52.55 52.21 1wuz s ASP 85 Cb -0.08 -1.95 0.01 0.00 -0.30 0.00 0.00 42.92 40.60 1wuz s ASP 85 CO 0.01 -0.23 0.19 0.54 -0.17 0.00 0.00 175.17 175.50 1wuz n ARG 86 N 4.93 -1.72 -1.42 4.34 5.12 -1.26 -3.32 116.66 123.32 1wuz n ARG 86 Ca -0.14 1.65 -0.32 0.00 -1.93 0.00 0.00 57.85 57.11 1wuz n ARG 86 Cb 0.48 -3.79 0.08 0.00 -1.16 0.00 0.00 32.46 28.07 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 -1.48 2.44 -0.40 5.56 0.04 -1.26 -4.24 135.00 135.66 1wuz s PRO 87 Ca 0.08 1.24 -0.20 0.00 0.04 0.00 0.00 61.00 62.15 1wuz s PRO 87 Cb -0.02 -1.91 0.01 0.00 0.04 0.00 0.00 34.50 32.62 1wuz s PRO 87 CO 0.46 -1.51 0.62 -0.51 0.04 0.00 0.00 177.00 176.10 1wuz s LEU 88 N -5.57 4.39 -0.09 -3.56 1.43 -1.25 -4.65 118.68 109.38 1wuz s LEU 88 Ca 0.63 -0.13 -0.31 0.00 -1.03 0.00 0.00 54.13 53.30 1wuz s LEU 88 Cb -0.18 -2.73 0.10 0.00 0.03 0.00 0.00 46.19 43.41 1wuz s LEU 88 CO 0.51 -0.68 1.37 0.00 0.23 0.00 0.00 176.35 177.79 1wuz s GLN 89 N 2.73 0.07 0.14 1.70 -2.07 -0.97 -5.04 119.66 116.22 1wuz s GLN 89 Ca 0.23 -0.04 0.06 0.00 -1.82 0.00 0.00 55.36 53.79 1wuz s GLN 89 Cb -0.14 0.02 -0.04 0.00 -1.09 0.00 0.00 33.01 31.75 1wuz s GLN 89 CO 0.17 -0.03 -0.14 0.08 -1.32 0.00 0.00 175.29 174.05 1wuz s VAL 90 N -2.01 1.38 -0.21 3.63 1.01 -1.26 -1.17 120.40 121.77 1wuz s VAL 90 Ca 0.31 -1.85 0.02 0.00 0.00 0.00 0.00 61.98 60.45 1wuz s VAL 90 Cb 0.01 -1.67 0.04 0.00 0.00 0.00 0.00 36.38 34.76 1wuz s VAL 90 CO -0.03 -0.49 -0.16 -0.36 0.00 0.00 0.00 175.10 174.06 1wuz s PHE 91 N -2.44 2.99 -0.12 5.22 0.08 0.18 -4.90 117.98 118.98 1wuz s PHE 91 Ca 0.12 -1.91 -0.29 0.00 0.12 0.00 0.00 56.93 54.97 1wuz s PHE 91 Cb -0.03 -1.93 -0.03 0.00 -0.57 0.00 0.00 43.02 40.45 1wuz s PHE 91 CO 0.03 -0.83 1.50 -1.58 -0.10 0.00 0.00 175.22 174.24 1wuz s HIS 92 N 1.22 2.33 -0.05 0.36 2.46 -0.20 -1.57 115.29 119.84 1wuz s HIS 92 Ca -0.01 0.55 0.06 0.00 0.47 0.00 0.00 55.06 56.14 1wuz s HIS 92 Cb -0.16 -3.77 -0.02 0.00 -0.13 0.00 0.00 32.58 28.50 1wuz s HIS 92 CO -0.09 -2.89 -0.23 0.08 -2.47 0.00 0.00 174.74 169.14 1wuz s VAL 93 N 4.00 2.29 -0.22 0.89 1.01 0.34 -1.60 120.40 127.12 1wuz s VAL 93 Ca 0.66 -1.00 -0.03 0.00 0.00 0.00 0.00 61.98 61.61 1wuz s VAL 93 Cb -0.27 -1.84 0.07 0.00 0.00 0.00 0.00 36.38 34.33 1wuz s VAL 93 CO 0.24 0.58 0.06 -1.61 0.00 0.00 0.00 175.10 174.36 1wuz s GLU 94 N -0.40 0.55 -0.15 2.72 2.02 0.06 -0.20 118.70 123.30 1wuz s GLU 94 Ca 0.04 -0.48 -0.03 0.00 0.02 0.00 0.00 54.97 54.52 1wuz s GLU 94 Cb -0.12 -1.98 -0.03 0.00 0.10 0.00 0.00 34.13 32.11 1wuz s GLU 94 CO 0.02 -0.73 -0.04 0.14 0.02 0.00 0.00 175.26 174.66 1wuz s VAL 95 N 1.88 3.84 0.15 2.63 -7.23 -0.68 -1.08 120.40 119.90 1wuz s VAL 95 Ca 0.02 -0.38 0.05 0.00 -1.81 0.00 0.00 61.98 59.86 1wuz s VAL 95 Cb -0.17 -2.67 -0.04 0.00 0.56 0.00 0.00 36.38 34.07 1wuz s VAL 95 CO -0.13 0.51 0.09 -1.61 -0.31 0.00 0.00 175.10 173.65 1wuz s GLU 96 N 0.23 2.78 -0.22 4.82 2.02 -1.09 -1.37 118.70 125.88 1wuz s GLU 96 Ca -0.03 -0.90 -0.07 0.00 0.02 0.00 0.00 54.97 53.99 1wuz s GLU 96 Cb -0.14 -2.59 -0.03 0.00 0.10 0.00 0.00 34.13 31.47 1wuz s GLU 96 CO 0.03 0.49 0.05 0.14 0.02 0.00 0.00 175.26 175.99 1wuz s VAL 97 N -1.68 4.41 -0.38 2.63 -7.23 -1.07 -2.52 120.40 114.56 1wuz s VAL 97 Ca 0.30 -0.15 -0.21 0.00 -1.81 0.00 0.00 61.98 60.11 1wuz s VAL 97 Cb -0.10 -3.02 0.01 0.00 0.56 0.00 0.00 36.38 33.82 1wuz s VAL 97 CO 0.22 0.40 0.64 -0.13 -0.31 0.00 0.00 175.10 175.92 1wuz s ARG 98 N 1.06 3.58 0.04 4.82 1.81 -1.03 -4.25 118.95 124.97 1wuz s ARG 98 Ca 0.04 -0.05 -0.05 0.00 -1.72 0.00 0.00 55.73 53.94 1wuz s ARG 98 Cb -0.14 -3.85 0.02 0.00 -0.45 0.00 0.00 34.95 30.53 1wuz s ARG 98 CO 0.03 -0.81 0.24 -3.47 -0.68 0.00 0.00 175.30 170.61 1wuz n ASP 99 N 6.12 -0.39 -4.19 0.23 2.03 -1.26 -2.39 116.55 116.70 1wuz n ASP 99 Ca -0.01 -1.20 -0.14 0.00 0.52 0.00 0.00 54.79 53.96 1wuz n ASP 99 Cb 0.48 0.63 -0.11 0.00 -0.72 0.00 0.00 41.12 41.41 1wuz n ASP 99 CO 0.00 0.00 0.00 -0.63 -1.92 0.00 0.00 177.20 174.65 1wuz s ILE 100 N -2.43 0.98 -0.04 5.18 1.09 -1.26 -4.55 121.20 120.17 1wuz s ILE 100 Ca 0.05 -1.73 -0.24 0.00 -1.10 0.00 0.00 60.65 57.63 1wuz s ILE 100 Cb -0.01 -1.47 -0.22 0.00 -1.06 0.00 0.00 42.46 39.70 1wuz s ILE 100 CO 0.01 -0.61 1.08 0.78 -0.10 0.00 0.00 174.94 176.11 1wuz h ASN 101 N 3.39 0.21 -0.32 3.58 2.35 -1.87 -3.19 115.58 119.73 1wuz h ASN 101 Ca -0.37 -0.72 0.09 0.00 -0.55 0.00 0.00 56.30 54.76 1wuz h ASN 101 Cb 1.19 -0.06 -0.01 0.00 0.05 0.00 0.00 38.32 39.48 1wuz h ASN 101 CO 0.55 0.90 0.27 0.44 -1.65 0.00 0.00 177.43 177.94 1wuz h ASP 102 N -0.45 0.00 0.00 5.81 3.32 -1.97 -3.48 116.42 119.64 1wuz h ASP 102 Ca -0.02 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.03 1wuz h ASP 102 Cb 0.91 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.46 1wuz h ASP 102 CO 0.04 0.00 0.00 -3.20 -1.72 0.00 0.00 179.24 174.36