#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 1.56 -0.05 1.61 6.94 -1.26 -4.56 115.26 119.50 1wuz n ASN 2 Ca 0.00 0.00 -0.14 0.00 -0.02 0.00 0.00 54.58 54.42 1wuz n ASN 2 Cb 0.00 1.16 -0.07 0.00 -2.36 0.00 0.00 39.78 38.50 1wuz n ASN 2 CO 0.00 0.00 0.00 0.28 -1.03 0.00 0.00 177.26 176.51 1wuz h SER 3 N 0.00 0.46 -2.84 0.53 0.02 -1.92 -3.41 113.55 106.39 1wuz h SER 3 Ca -0.24 -0.55 -0.55 0.00 -0.84 0.00 0.00 61.79 59.62 1wuz h SER 3 Cb 1.42 -0.13 -0.06 0.00 0.14 0.00 0.00 62.40 63.77 1wuz h SER 3 CO 0.01 0.92 1.08 -1.58 -1.14 0.00 0.00 176.83 176.12 1wuz s GLN 4 N -4.05 3.32 -0.00 3.45 0.74 -1.26 -1.77 119.66 120.09 1wuz s GLN 4 Ca -0.14 0.35 0.02 0.00 0.05 0.00 0.00 55.36 55.64 1wuz s GLN 4 Cb 0.05 -4.11 -0.00 0.00 1.10 0.00 0.00 33.01 30.05 1wuz s GLN 4 CO 0.78 -1.92 -0.06 0.42 -0.55 0.00 0.00 175.29 173.96 1wuz s ILE 5 N 5.86 0.45 0.03 -2.34 -1.09 -0.64 -5.03 121.20 118.44 1wuz s ILE 5 Ca 0.49 -0.24 0.00 0.00 -2.23 0.00 0.00 60.65 58.67 1wuz s ILE 5 Cb -0.10 -0.39 -0.02 0.00 -1.58 0.00 0.00 42.46 40.37 1wuz s ILE 5 CO 0.24 0.13 -0.03 -1.38 -1.23 0.00 0.00 174.94 172.67 1wuz s HIS 6 N -0.12 0.35 0.39 3.97 -3.43 -1.26 -1.01 115.29 114.18 1wuz s HIS 6 Ca 0.02 -0.63 0.05 0.00 -0.80 0.00 0.00 55.06 53.70 1wuz s HIS 6 Cb -0.02 -0.25 -0.06 0.00 -1.43 0.00 0.00 32.58 30.81 1wuz s HIS 6 CO -0.00 -0.21 0.03 0.71 -2.00 0.00 0.00 174.74 173.26 1wuz s TYR 7 N -1.94 2.22 -0.05 0.38 2.02 0.60 -4.89 117.35 115.69 1wuz s TYR 7 Ca -0.11 -0.83 0.02 0.00 -0.37 0.00 0.00 57.07 55.78 1wuz s TYR 7 Cb -0.06 -1.56 0.01 0.00 -0.40 0.00 0.00 41.96 39.94 1wuz s TYR 7 CO -0.03 0.24 -0.12 -1.54 -1.57 0.00 0.00 175.55 172.53 1wuz s SER 8 N -3.65 1.67 -0.18 2.29 1.04 -1.00 -2.69 113.70 111.18 1wuz s SER 8 Ca 0.31 -0.28 -0.07 0.00 0.48 0.00 0.00 55.95 56.40 1wuz s SER 8 Cb 0.08 -0.69 0.08 0.00 0.10 0.00 0.00 66.02 65.59 1wuz s SER 8 CO 0.15 0.05 0.38 -0.51 0.98 0.00 0.00 173.24 174.29 1wuz s ILE 9 N 0.53 -0.45 0.24 -1.02 2.07 -1.04 -4.47 121.20 117.06 1wuz s ILE 9 Ca -0.11 0.17 -0.30 0.00 -1.41 0.00 0.00 60.65 59.00 1wuz s ILE 9 Cb -0.14 -0.60 -0.09 0.00 0.13 0.00 0.00 42.46 41.75 1wuz s ILE 9 CO 0.03 0.07 1.27 -2.16 -1.91 0.00 0.00 174.94 172.24 1wuz s PRO 10 N 2.28 4.42 1.01 3.50 0.04 -1.26 -2.40 135.00 142.58 1wuz s PRO 10 Ca -0.03 2.05 -0.17 0.00 0.04 0.00 0.00 61.00 62.89 1wuz s PRO 10 Cb -0.11 -3.16 -0.02 0.00 0.04 0.00 0.00 34.50 31.24 1wuz s PRO 10 CO -0.12 -0.16 -0.22 0.39 0.04 0.00 0.00 177.00 176.94 1wuz n GLU 11 N 1.95 -0.47 -1.64 4.56 1.02 -0.91 -2.72 120.64 122.43 1wuz n GLU 11 Ca 0.03 -0.12 -0.16 0.00 -0.02 0.00 0.00 57.16 56.90 1wuz n GLU 11 Cb 0.43 -1.51 -0.05 0.00 -0.02 0.00 0.00 31.44 30.29 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 -0.24 -1.14 -2.16 3.49 2.13 -1.03 -4.88 120.64 116.81 1wuz n GLU 12 Ca 0.02 1.00 -0.39 0.00 0.66 0.00 0.00 57.16 58.45 1wuz n GLU 12 Cb 0.59 -5.21 -0.03 0.00 0.27 0.00 0.00 31.44 27.05 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 -2.63 2.31 0.73 4.31 0.00 -1.10 -4.77 121.76 120.60 1wuz s ALA 13 Ca 0.00 -0.82 -0.16 0.00 0.00 0.00 0.00 51.96 50.98 1wuz s ALA 13 Cb 0.00 -4.29 0.02 0.00 0.00 0.00 0.00 23.12 18.85 1wuz s ALA 13 CO 0.00 -3.76 1.13 1.63 0.00 0.00 0.00 175.76 174.76 1wuz n LYS 14 N 9.23 0.58 -1.68 0.00 4.76 -1.26 -4.33 118.16 125.46 1wuz n LYS 14 Ca 0.16 0.26 -0.52 0.00 -2.87 0.00 0.00 58.31 55.34 1wuz n LYS 14 Cb 0.51 -2.37 -0.06 0.00 -1.84 0.00 0.00 35.03 31.27 1wuz n LYS 14 CO 0.00 0.00 0.00 0.72 -1.37 0.00 0.00 177.40 176.75 1wuz n HIS 15 N -2.58 2.07 0.00 2.13 8.25 -1.26 -1.70 115.22 122.13 1wuz n HIS 15 Ca 0.14 0.36 0.00 0.00 -0.26 0.00 0.00 57.72 57.96 1wuz n HIS 15 Cb 0.49 -2.51 0.00 0.00 1.12 0.00 0.00 29.99 29.09 1wuz n HIS 15 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1wuz n GLY 16 N 3.88 1.05 3.80 -1.41 0.00 -0.85 -4.88 105.19 106.78 1wuz n GLY 16 Ca 0.23 0.00 -0.37 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 4.44 0.30 2.61 2.01 -0.69 -4.66 115.64 117.65 1wuz s THR 17 Ca 0.00 1.50 -0.29 0.00 0.31 0.00 0.00 61.69 63.21 1wuz s THR 17 Cb 0.00 -3.95 -0.10 0.00 0.01 0.00 0.00 72.50 68.46 1wuz s THR 17 CO 0.00 0.24 1.37 0.12 -0.69 0.00 0.00 174.62 175.66 1wuz s PHE 18 N -1.49 3.00 0.06 4.92 5.36 -1.26 -2.17 117.98 126.41 1wuz s PHE 18 Ca 0.44 1.26 -0.01 0.00 -0.96 0.00 0.00 56.93 57.66 1wuz s PHE 18 Cb -0.18 -3.75 -0.00 0.00 -0.34 0.00 0.00 43.02 38.74 1wuz s PHE 18 CO 0.23 -2.22 -0.01 0.28 -1.46 0.00 0.00 175.22 172.03 1wuz n VAL 19 N 1.32 0.90 0.00 3.12 0.31 -0.83 -4.77 118.33 118.39 1wuz n VAL 19 Ca 0.02 0.28 0.00 0.00 -0.01 0.00 0.00 64.34 64.64 1wuz n VAL 19 Cb 0.41 -1.59 0.00 0.00 -0.91 0.00 0.00 33.84 31.76 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 3.29 2.10 3.59 2.92 0.00 -1.26 -2.37 105.19 113.46 1wuz n GLY 20 Ca -0.01 0.02 -0.41 0.00 0.00 0.00 0.00 46.02 45.62 1wuz n GLY 20 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1wuz s ARG 21 N -0.85 2.90 0.04 1.61 1.70 -1.26 -3.53 118.95 119.57 1wuz s ARG 21 Ca 0.00 1.69 -0.17 0.00 -0.47 0.00 0.00 55.73 56.78 1wuz s ARG 21 Cb 0.00 -4.39 -0.20 0.00 -0.57 0.00 0.00 34.95 29.79 1wuz s ARG 21 CO 0.00 -2.37 1.19 0.97 -1.08 0.00 0.00 175.30 174.01 1wuz h ILE 22 N 7.20 1.36 0.24 4.99 2.10 -1.92 -2.50 117.51 128.98 1wuz h ILE 22 Ca -0.35 -1.99 -0.01 0.00 1.08 0.00 0.00 64.86 63.59 1wuz h ILE 22 Cb 1.23 2.33 0.00 0.00 -1.09 0.00 0.00 36.82 39.29 1wuz h ILE 22 CO 1.03 0.60 -0.12 0.00 -1.08 0.00 0.00 178.15 178.59 1wuz h ALA 23 N 0.42 -0.32 -0.93 0.18 0.00 -1.89 -0.21 119.26 116.51 1wuz h ALA 23 Ca -0.06 -0.20 0.13 0.00 0.00 0.00 0.00 54.91 54.77 1wuz h ALA 23 Cb 1.32 0.12 -0.08 0.00 0.00 0.00 0.00 17.79 19.16 1wuz h ALA 23 CO 0.13 -0.44 0.60 0.37 0.00 0.00 0.00 179.25 179.91 1wuz h GLN 24 N -0.81 0.82 -0.01 0.00 -0.00 -1.80 0.89 115.11 114.20 1wuz h GLN 24 Ca -0.03 -0.05 -0.18 0.00 -0.00 0.00 0.00 58.65 58.39 1wuz h GLN 24 Cb 0.51 -0.18 -0.01 0.00 0.00 0.00 0.00 27.48 27.79 1wuz h GLN 24 CO 0.05 0.54 -0.79 -0.44 0.00 0.00 0.00 178.83 178.19 1wuz h ASP 25 N 0.84 0.18 -0.30 -0.69 3.32 -1.45 -3.22 116.42 115.09 1wuz h ASP 25 Ca 0.46 -0.13 -0.17 0.00 0.02 0.00 0.00 57.03 57.21 1wuz h ASP 25 Cb 0.58 -0.05 -0.00 0.00 0.22 0.00 0.00 39.33 40.07 1wuz h ASP 25 CO -0.23 0.90 -0.44 -0.07 -1.72 0.00 0.00 179.24 177.68 1wuz h LEU 26 N 0.08 0.94 0.00 1.55 4.07 0.86 -3.47 115.31 119.34 1wuz h LEU 26 Ca -0.03 -0.46 0.00 0.00 0.08 0.00 0.00 57.88 57.48 1wuz h LEU 26 Cb 1.39 -0.27 0.00 0.00 1.08 0.00 0.00 40.66 42.86 1wuz h LEU 26 CO 0.12 1.24 0.00 0.61 -1.08 0.00 0.00 178.44 179.33 1wuz n GLY 27 N 0.19 1.55 3.37 0.83 0.00 0.12 -4.82 105.19 106.44 1wuz n GLY 27 Ca -0.03 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.70 1wuz n GLY 27 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1wuz s LEU 28 N 0.00 2.28 0.70 0.99 1.43 -1.19 -5.07 118.68 117.83 1wuz s LEU 28 Ca 0.00 -0.71 -0.16 0.00 -1.03 0.00 0.00 54.13 52.23 1wuz s LEU 28 Cb 0.00 -1.21 0.02 0.00 0.03 0.00 0.00 46.19 45.03 1wuz s LEU 28 CO 0.00 0.19 1.22 -0.70 0.23 0.00 0.00 176.35 177.29 1wuz s GLU 29 N -1.86 2.28 0.48 1.70 2.12 -1.26 -4.56 118.70 117.60 1wuz s GLU 29 Ca 0.13 1.81 0.25 0.00 0.36 0.00 0.00 54.97 57.52 1wuz s GLU 29 Cb -0.10 -1.85 1.20 0.00 0.26 0.00 0.00 34.13 33.64 1wuz s GLU 29 CO 0.05 -1.74 1.96 1.25 -0.54 0.00 0.00 175.26 176.24 1wuz h LEU 30 N -0.06 0.00 -1.70 2.70 7.12 -1.98 -1.95 115.31 119.43 1wuz h LEU 30 Ca -0.48 0.00 0.00 0.00 0.13 0.00 0.00 57.88 57.53 1wuz h LEU 30 Cb 1.30 0.00 0.00 0.00 -0.53 0.00 0.00 40.66 41.43 1wuz h LEU 30 CO 0.51 0.18 0.00 0.41 -0.13 0.00 0.00 178.44 179.41 1wuz n THR 31 N -3.54 0.26 0.01 1.05 -1.04 -1.26 -3.97 114.28 105.79 1wuz n THR 31 Ca -0.01 -0.52 0.07 0.00 -2.04 0.00 0.00 64.05 61.55 1wuz n THR 31 Cb 0.33 0.82 -0.11 0.00 -1.82 0.00 0.00 70.33 69.55 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 0.94 0.64 -0.16 -2.82 1.02 -0.74 -4.25 120.64 115.27 1wuz n GLU 32 Ca 0.17 -0.03 -0.11 0.00 -0.02 0.00 0.00 57.16 57.18 1wuz n GLU 32 Cb 0.49 -1.64 0.02 0.00 -0.02 0.00 0.00 31.44 30.28 1wuz n GLU 32 CO 0.00 0.00 0.00 -0.07 1.18 0.00 0.00 177.13 178.24 1wuz h LEU 33 N 0.00 1.01 0.18 -4.62 3.38 -1.68 -1.95 115.31 111.64 1wuz h LEU 33 Ca -0.09 -0.36 0.01 0.00 0.09 0.00 0.00 57.88 57.53 1wuz h LEU 33 Cb 1.24 -0.28 -0.04 0.00 0.09 0.00 0.00 40.66 41.67 1wuz h LEU 33 CO 0.01 1.16 -0.46 0.58 0.09 0.00 0.00 178.44 179.82 1wuz h VAL 34 N 0.87 0.10 0.00 1.22 2.07 -1.78 -1.35 116.25 117.38 1wuz h VAL 34 Ca 0.12 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.64 1wuz h VAL 34 Cb 0.74 0.10 0.00 0.00 -1.52 0.00 0.00 31.29 30.61 1wuz h VAL 34 CO 0.06 0.00 0.00 1.55 0.02 0.00 0.00 177.57 179.20 1wuz h PRO 35 N -0.73 0.00 -0.20 1.57 0.13 -1.76 -2.36 132.00 128.64 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 0.73 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.86 1wuz h PRO 35 CO -0.22 0.00 0.00 0.54 -0.23 0.00 0.00 178.00 178.09 1wuz n ARG 36 N -2.44 1.67 -3.89 0.86 3.00 -0.56 -4.86 116.66 110.44 1wuz n ARG 36 Ca 0.02 -1.02 -0.32 0.00 -0.01 0.00 0.00 57.85 56.52 1wuz n ARG 36 Cb 0.24 -1.34 0.01 0.00 0.00 0.00 0.00 32.46 31.37 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 0.26 -2.05 -4.69 0.55 4.32 -0.89 -1.06 117.00 113.45 1wuz n LEU 37 Ca 0.14 -1.08 -0.44 0.00 -0.02 0.00 0.00 56.01 54.61 1wuz n LEU 37 Cb 0.29 -2.15 -0.02 0.00 -1.62 0.00 0.00 43.42 39.92 1wuz n LEU 37 CO 0.11 0.52 1.01 0.33 -1.22 0.00 0.00 177.39 178.14 1wuz n PHE 38 N -4.44 2.26 -3.73 -1.77 7.35 -1.06 -2.75 117.46 113.31 1wuz n PHE 38 Ca -0.19 0.44 -0.12 0.00 -0.76 0.00 0.00 57.45 56.82 1wuz n PHE 38 Cb 0.63 -2.46 -0.11 0.00 0.35 0.00 0.00 39.48 37.89 1wuz n PHE 38 CO 0.00 0.00 0.00 1.03 -0.76 0.00 0.00 176.76 177.03 1wuz s ARG 39 N -0.79 0.40 -0.10 -4.13 0.52 -0.15 -4.97 118.95 109.73 1wuz s ARG 39 Ca 0.64 0.58 -0.05 0.00 -0.52 0.00 0.00 55.73 56.39 1wuz s ARG 39 Cb -0.61 0.13 -0.04 0.00 0.52 0.00 0.00 34.95 34.95 1wuz s ARG 39 CO 0.53 -0.09 0.07 0.08 0.02 0.00 0.00 175.30 175.91 1wuz s VAL 40 N 0.58 4.94 -0.26 3.52 1.01 -1.26 -0.31 120.40 128.61 1wuz s VAL 40 Ca -0.03 -0.01 -0.03 0.00 0.00 0.00 0.00 61.98 61.91 1wuz s VAL 40 Cb -0.05 -3.12 0.10 0.00 0.00 0.00 0.00 36.38 33.32 1wuz s VAL 40 CO -0.03 0.61 0.19 0.00 0.00 0.00 0.00 175.10 175.87 1wuz s ALA 41 N -0.96 0.10 0.41 5.51 0.00 -0.64 -4.85 121.76 121.33 1wuz s ALA 41 Ca 0.14 -0.49 -0.06 0.00 0.00 0.00 0.00 51.96 51.55 1wuz s ALA 41 Cb -0.12 -1.45 -0.05 0.00 0.00 0.00 0.00 23.12 21.50 1wuz s ALA 41 CO 0.03 -1.52 0.72 0.45 0.00 0.00 0.00 175.76 175.44 1wuz s SER 42 N 2.23 6.37 -0.17 0.00 0.15 -1.25 -2.15 113.70 118.87 1wuz s SER 42 Ca 0.08 0.90 0.04 0.00 0.70 0.00 0.00 55.95 57.68 1wuz s SER 42 Cb -0.15 -2.23 -0.22 0.00 -1.71 0.00 0.00 66.02 61.70 1wuz s SER 42 CO -0.27 -0.44 0.16 1.17 1.20 0.00 0.00 173.24 175.06 1wuz n LYS 43 N -1.72 0.69 0.00 5.44 4.81 -1.26 -3.62 118.16 122.50 1wuz n LYS 43 Ca 0.00 0.18 0.00 0.00 -0.87 0.00 0.00 58.31 57.62 1wuz n LYS 43 Cb 0.55 -1.62 0.00 0.00 0.02 0.00 0.00 35.03 33.97 1wuz n LYS 43 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 1wuz n ASP 44 N -3.19 0.00 -0.00 3.14 8.00 -1.26 -4.58 116.55 118.66 1wuz n ASP 44 Ca -0.34 0.70 0.01 0.00 0.71 0.00 0.00 54.79 55.86 1wuz n ASP 44 Cb 1.05 -0.20 -0.01 0.00 -0.02 0.00 0.00 41.12 41.94 1wuz n ASP 44 CO 0.00 0.00 0.00 -1.14 -0.39 0.00 0.00 177.20 175.67 1wuz n ARG 45 N -1.17 1.43 0.00 -1.24 3.00 -1.26 -5.01 116.66 112.42 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 -0.94 0.00 0.00 0.00 0.00 0.00 32.46 31.52 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 2.10 2.24 2.30 5.14 0.00 -1.24 -4.89 105.19 110.85 1wuz n GLY 46 Ca -0.00 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.80 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 1.32 -0.07 1.61 8.00 -1.26 -3.97 116.55 122.18 1wuz n ASP 47 Ca 0.00 -3.03 -0.22 0.00 0.71 0.00 0.00 54.79 52.25 1wuz n ASP 47 Cb 0.00 -0.62 -0.12 0.00 -0.02 0.00 0.00 41.12 40.35 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 0.62 2.37 -4.07 0.64 4.77 -1.26 -4.50 117.00 115.57 1wuz n LEU 48 Ca 0.25 0.23 -0.11 0.00 -0.03 0.00 0.00 56.01 56.35 1wuz n LEU 48 Cb 0.56 -1.00 -0.06 0.00 -2.33 0.00 0.00 43.42 40.60 1wuz n LEU 48 CO 0.23 0.66 0.09 -0.76 -1.33 0.00 0.00 177.39 176.28 1wuz s LEU 49 N -7.27 0.70 -0.05 2.23 1.02 -1.26 -1.56 118.68 112.49 1wuz s LEU 49 Ca -0.29 -1.20 -0.12 0.00 0.02 0.00 0.00 54.13 52.54 1wuz s LEU 49 Cb 0.08 1.40 0.02 0.00 0.02 0.00 0.00 46.19 47.71 1wuz s LEU 49 CO 0.65 -1.14 0.27 -1.61 0.02 0.00 0.00 176.35 174.54 1wuz s GLU 50 N -3.72 0.51 -0.04 1.70 2.02 -1.09 -4.84 118.70 113.24 1wuz s GLU 50 Ca 0.28 -0.00 -0.15 0.00 0.02 0.00 0.00 54.97 55.12 1wuz s GLU 50 Cb 0.01 0.23 -0.05 0.00 0.10 0.00 0.00 34.13 34.42 1wuz s GLU 50 CO 0.13 -0.12 0.41 0.54 0.02 0.00 0.00 175.26 176.25 1wuz s VAL 51 N -0.77 5.08 -0.36 2.63 0.11 -1.26 -1.85 120.40 123.98 1wuz s VAL 51 Ca -0.09 0.84 -0.11 0.00 -2.93 0.00 0.00 61.98 59.69 1wuz s VAL 51 Cb -0.04 -3.73 0.02 0.00 -1.53 0.00 0.00 36.38 31.10 1wuz s VAL 51 CO 0.02 0.51 0.19 0.21 -3.33 0.00 0.00 175.10 172.71 1wuz s ASN 52 N -0.61 5.68 0.45 3.54 2.47 0.03 -4.94 114.94 121.57 1wuz s ASN 52 Ca 0.23 -0.89 0.31 0.00 0.42 0.00 0.00 52.86 52.93 1wuz s ASN 52 Cb -0.16 -2.02 1.63 0.00 -1.45 0.00 0.00 41.25 39.25 1wuz s ASN 52 CO 0.12 -0.34 1.94 -0.07 -3.72 0.00 0.00 177.10 175.03 1wuz h LEU 53 N 8.41 0.00 -1.06 3.21 3.38 -1.95 0.26 115.31 127.57 1wuz h LEU 53 Ca -0.27 0.00 0.18 0.00 0.09 0.00 0.00 57.88 57.88 1wuz h LEU 53 Cb 1.11 0.00 -0.10 0.00 0.09 0.00 0.00 40.66 41.76 1wuz h LEU 53 CO 0.65 0.00 0.61 -0.61 0.09 0.00 0.00 178.44 179.19 1wuz h GLN 54 N 0.00 0.74 0.00 1.13 4.15 -1.94 -3.22 115.11 115.97 1wuz h GLN 54 Ca 0.00 -0.04 0.00 0.00 0.77 0.00 0.00 58.65 59.38 1wuz h GLN 54 Cb 0.05 -0.17 0.00 0.00 0.21 0.00 0.00 27.48 27.57 1wuz h GLN 54 CO 0.00 0.49 -0.21 0.09 -1.93 0.00 0.00 178.83 177.26 1wuz n ASN 55 N -4.72 0.00 -2.90 -0.69 3.02 -0.96 -5.00 115.26 104.01 1wuz n ASN 55 Ca 0.23 -1.43 -0.21 0.00 -0.03 0.00 0.00 54.58 53.14 1wuz n ASN 55 Cb 0.56 -0.09 0.01 0.00 -0.61 0.00 0.00 39.78 39.66 1wuz n ASN 55 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1wuz n GLY 56 N 0.00 -0.51 3.61 7.41 0.00 0.89 -4.97 105.19 111.62 1wuz n GLY 56 Ca 0.00 0.08 -0.27 0.00 0.00 0.00 0.00 46.02 45.83 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 -3.00 3.43 -0.10 -0.61 1.10 -1.09 -3.79 121.20 117.13 1wuz s ILE 57 Ca 0.22 -1.54 -0.15 0.00 -0.51 0.00 0.00 60.65 58.68 1wuz s ILE 57 Cb -0.11 -2.70 -0.05 0.00 0.15 0.00 0.00 42.46 39.75 1wuz s ILE 57 CO 0.28 -0.10 0.36 -0.76 -2.11 0.00 0.00 174.94 172.61 1wuz s LEU 58 N -2.84 4.33 -0.02 8.50 2.01 -1.23 -0.78 118.68 128.64 1wuz s LEU 58 Ca 0.26 0.70 0.06 0.00 0.01 0.00 0.00 54.13 55.16 1wuz s LEU 58 Cb -0.09 -2.49 -0.01 0.00 0.01 0.00 0.00 46.19 43.61 1wuz s LEU 58 CO 0.17 0.16 -0.19 0.72 1.01 0.00 0.00 176.35 178.21 1wuz s PHE 59 N -0.04 1.77 0.32 0.29 -0.71 -0.77 -1.97 117.98 116.88 1wuz s PHE 59 Ca 0.21 -0.36 -0.29 0.00 -1.04 0.00 0.00 56.93 55.45 1wuz s PHE 59 Cb -0.14 -1.15 -0.12 0.00 -1.21 0.00 0.00 43.02 40.40 1wuz s PHE 59 CO 0.08 -0.05 1.30 0.28 -1.34 0.00 0.00 175.22 175.49 1wuz n VAL 60 N 2.67 1.82 -2.03 -2.49 0.31 -0.92 -2.65 118.33 115.05 1wuz n VAL 60 Ca -0.15 -0.46 0.01 0.00 -0.01 0.00 0.00 64.34 63.73 1wuz n VAL 60 Cb 0.53 -1.54 0.02 0.00 -0.91 0.00 0.00 33.84 31.93 1wuz n VAL 60 CO 0.00 0.00 0.00 -3.20 -1.32 0.00 0.00 176.83 172.31 1wuz n ASN 61 N 1.02 0.35 -0.94 4.52 2.85 -0.87 -2.00 115.26 120.19 1wuz n ASN 61 Ca 0.06 -2.09 0.00 0.00 -0.11 0.00 0.00 54.58 52.44 1wuz n ASN 61 Cb 0.35 -0.24 0.00 0.00 1.24 0.00 0.00 39.78 41.13 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 -0.01 0.00 -4.65 1.20 2.88 -0.60 -4.62 113.62 107.81 1wuz n SER 62 Ca 0.02 -0.94 -0.43 0.00 -1.33 0.00 0.00 58.87 56.20 1wuz n SER 62 Cb 0.78 0.00 -0.02 0.00 -0.75 0.00 0.00 64.21 64.22 1wuz n SER 62 CO 0.00 0.00 0.00 -0.13 -1.23 0.00 0.00 175.04 173.68 1wuz s ARG 63 N -1.81 4.20 -0.01 -1.46 3.00 -1.26 -4.65 118.95 116.95 1wuz s ARG 63 Ca 0.00 1.42 0.13 0.00 0.00 0.00 0.00 55.73 57.28 1wuz s ARG 63 Cb 0.00 -3.72 -0.18 0.00 0.00 0.00 0.00 34.95 31.05 1wuz s ARG 63 CO 0.00 -0.73 0.33 -0.89 0.00 0.00 0.00 175.30 174.01 1wuz n ILE 64 N 5.48 0.00 -1.63 1.52 2.08 -1.26 -4.29 119.36 121.26 1wuz n ILE 64 Ca 0.13 -0.27 -0.45 0.00 0.56 0.00 0.00 62.75 62.72 1wuz n ILE 64 Cb 0.46 0.38 -0.02 0.00 -0.75 0.00 0.00 39.64 39.70 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 -1.81 1.87 -0.28 4.38 9.92 -1.26 -2.48 116.55 126.90 1wuz n ASP 65 Ca -0.01 1.17 0.07 0.00 -0.53 0.00 0.00 54.79 55.50 1wuz n ASP 65 Cb 0.30 -1.35 0.19 0.00 -0.64 0.00 0.00 41.12 39.63 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 2.67 0.10 -0.81 -1.24 0.11 -1.95 0.62 114.38 113.88 1wuz h ARG 66 Ca -0.42 -0.01 0.18 0.00 0.10 0.00 0.00 59.98 59.83 1wuz h ARG 66 Cb 1.32 -0.02 -0.11 0.00 1.11 0.00 0.00 29.97 32.26 1wuz h ARG 66 CO 0.65 0.07 0.29 1.05 0.10 0.00 0.00 179.97 182.12 1wuz h GLU 67 N 0.10 0.34 0.00 0.08 4.11 -1.88 0.54 114.58 117.88 1wuz h GLU 67 Ca 0.46 -0.02 -0.02 0.00 0.07 0.00 0.00 59.36 59.84 1wuz h GLU 67 Cb 0.84 -0.08 -0.00 0.00 0.50 0.00 0.00 28.75 30.01 1wuz h GLU 67 CO -0.71 0.23 -0.21 0.93 0.07 0.00 0.00 179.01 179.32 1wuz h GLU 68 N 0.35 0.00 0.00 1.06 3.07 -0.78 -3.41 114.58 114.87 1wuz h GLU 68 Ca 0.48 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.34 1wuz h GLU 68 Cb 0.85 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.76 1wuz h GLU 68 CO -0.51 0.38 0.00 -0.11 -1.40 0.00 0.00 179.01 177.37 1wuz n LEU 69 N -4.67 0.00 0.09 1.33 -0.00 0.18 -4.84 117.00 109.09 1wuz n LEU 69 Ca -0.07 0.85 0.00 0.00 -0.00 0.00 0.00 56.01 56.79 1wuz n LEU 69 Cb 0.24 -0.35 0.00 0.00 -0.00 0.00 0.00 43.42 43.31 1wuz n LEU 69 CO 0.13 -0.35 0.00 0.00 -0.00 0.00 0.00 177.39 177.17 1wuz n GLY 71 N 0.57 0.85 2.70 0.00 0.00 0.17 -4.76 105.19 104.72 1wuz n GLY 71 Ca 0.00 -0.58 -0.39 0.00 0.00 0.00 0.00 46.02 45.05 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 0.00 2.62 -3.23 1.61 1.74 -1.26 -4.72 116.66 113.43 1wuz n ARG 72 Ca 0.00 -2.17 -0.01 0.00 -0.77 0.00 0.00 57.85 54.89 1wuz n ARG 72 Cb 0.00 -2.98 -0.04 0.00 -1.02 0.00 0.00 32.46 28.43 1wuz n ARG 72 CO 0.00 0.00 0.00 -1.12 -1.52 0.00 0.00 177.63 174.99 1wuz s SER 73 N 3.41 -0.74 0.53 0.55 0.01 -1.26 -5.01 113.70 111.19 1wuz s SER 73 Ca 0.53 0.48 0.30 0.00 1.31 0.00 0.00 55.95 58.58 1wuz s SER 73 Cb 0.14 1.72 1.45 0.00 0.21 0.00 0.00 66.02 69.55 1wuz s SER 73 CO -0.03 -0.29 1.90 0.00 0.41 0.00 0.00 173.24 175.24 1wuz h ALA 74 N 8.07 2.77 -2.14 1.44 0.00 -1.94 -3.39 119.26 124.07 1wuz h ALA 74 Ca -0.18 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 54.67 1wuz h ALA 74 Cb 1.16 0.06 -0.25 0.00 0.00 0.00 0.00 17.79 18.76 1wuz h ALA 74 CO 0.25 -1.02 -0.30 -1.83 0.00 0.00 0.00 179.25 176.35 1wuz s GLU 75 N -5.01 0.42 -0.13 0.00 -1.05 -1.26 -4.72 118.70 106.95 1wuz s GLU 75 Ca -0.05 1.09 -0.01 0.00 -0.15 0.00 0.00 54.97 55.85 1wuz s GLU 75 Cb 0.21 0.41 -0.02 0.00 -0.44 0.00 0.00 34.13 34.29 1wuz s GLU 75 CO 0.77 -0.32 -0.09 0.00 0.95 0.00 0.00 175.26 176.57 1wuz s SER 77 N 0.17 5.62 -0.02 0.00 0.01 -1.26 -2.48 113.70 115.74 1wuz s SER 77 Ca -0.05 0.19 0.06 0.00 1.31 0.00 0.00 55.95 57.45 1wuz s SER 77 Cb -0.15 -1.63 -0.01 0.00 0.21 0.00 0.00 66.02 64.44 1wuz s SER 77 CO 0.04 0.33 -0.18 -0.63 0.41 0.00 0.00 173.24 173.20 1wuz s ILE 78 N -1.06 1.45 -0.02 1.44 1.09 -0.67 -5.02 121.20 118.40 1wuz s ILE 78 Ca 0.18 -0.78 0.05 0.00 -1.10 0.00 0.00 60.65 59.00 1wuz s ILE 78 Cb -0.12 -1.21 -0.03 0.00 -1.06 0.00 0.00 42.46 40.05 1wuz s ILE 78 CO 0.08 0.41 -0.15 -1.00 -0.10 0.00 0.00 174.94 174.19 1wuz s HIS 79 N -0.40 2.68 0.05 3.97 3.76 -1.26 -1.95 115.29 122.12 1wuz s HIS 79 Ca 0.06 -0.18 -0.07 0.00 -0.15 0.00 0.00 55.06 54.73 1wuz s HIS 79 Cb -0.07 -1.58 -0.01 0.00 1.11 0.00 0.00 32.58 32.03 1wuz s HIS 79 CO -0.01 0.21 0.14 -1.17 -0.85 0.00 0.00 174.74 173.06 1wuz s LEU 80 N -0.96 1.64 -0.19 0.89 0.20 0.87 -4.34 118.68 116.78 1wuz s LEU 80 Ca 0.13 -0.52 -0.01 0.00 0.69 0.00 0.00 54.13 54.42 1wuz s LEU 80 Cb -0.11 0.76 0.05 0.00 -0.43 0.00 0.00 46.19 46.47 1wuz s LEU 80 CO 0.02 -0.56 -0.04 -1.61 -0.29 0.00 0.00 176.35 173.87 1wuz s GLU 81 N -2.85 1.35 -0.50 1.98 2.02 -0.91 -1.73 118.70 118.06 1wuz s GLU 81 Ca -0.03 -0.66 -0.21 0.00 0.02 0.00 0.00 54.97 54.09 1wuz s GLU 81 Cb 0.00 -2.22 0.04 0.00 0.10 0.00 0.00 34.13 32.05 1wuz s GLU 81 CO -0.06 -0.53 0.72 0.08 0.02 0.00 0.00 175.26 175.50 1wuz s VAL 82 N 1.60 4.73 -0.04 2.63 1.01 -0.82 -1.63 120.40 127.87 1wuz s VAL 82 Ca -0.02 -0.09 -0.25 0.00 0.00 0.00 0.00 61.98 61.62 1wuz s VAL 82 Cb -0.17 -4.34 -0.04 0.00 0.00 0.00 0.00 36.38 31.84 1wuz s VAL 82 CO -0.07 -0.82 0.77 -0.51 0.00 0.00 0.00 175.10 174.47 1wuz s ILE 83 N 3.05 4.97 -0.03 2.22 -1.16 0.58 -0.09 121.20 130.73 1wuz s ILE 83 Ca 0.22 1.61 0.06 0.00 -0.51 0.00 0.00 60.65 62.02 1wuz s ILE 83 Cb -0.16 -4.11 -0.01 0.00 0.61 0.00 0.00 42.46 38.79 1wuz s ILE 83 CO 0.16 0.24 -0.21 0.68 -2.81 0.00 0.00 174.94 173.00 1wuz s VAL 84 N 0.74 1.71 -0.34 4.00 -7.23 0.46 -0.98 120.40 118.77 1wuz s VAL 84 Ca 0.41 -0.90 -0.13 0.00 -1.81 0.00 0.00 61.98 59.55 1wuz s VAL 84 Cb -0.19 -1.44 -0.02 0.00 0.56 0.00 0.00 36.38 35.29 1wuz s VAL 84 CO 0.21 0.48 0.24 -0.62 -0.31 0.00 0.00 175.10 175.11 1wuz s ASP 85 N -0.28 6.06 -0.20 4.85 2.15 -0.22 -2.30 116.67 126.73 1wuz s ASP 85 Ca 0.02 -0.42 -0.04 0.00 0.43 0.00 0.00 52.55 52.55 1wuz s ASP 85 Cb -0.10 -2.14 0.00 0.00 -0.30 0.00 0.00 42.92 40.38 1wuz s ASP 85 CO 0.01 -0.24 0.13 0.54 -0.17 0.00 0.00 175.17 175.45 1wuz n ARG 86 N 5.11 -1.74 -1.27 4.34 3.00 -1.26 -3.38 116.66 121.46 1wuz n ARG 86 Ca -0.13 1.65 -0.31 0.00 -0.01 0.00 0.00 57.85 59.06 1wuz n ARG 86 Cb 0.50 -3.64 0.09 0.00 0.00 0.00 0.00 32.46 29.41 1wuz n ARG 86 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.63 176.38 1wuz s PRO 87 N -1.31 2.27 -0.54 5.56 0.04 -1.26 -4.28 135.00 135.47 1wuz s PRO 87 Ca 0.06 1.18 -0.22 0.00 0.04 0.00 0.00 61.00 62.05 1wuz s PRO 87 Cb -0.02 -1.90 0.05 0.00 0.04 0.00 0.00 34.50 32.68 1wuz s PRO 87 CO 0.44 -1.64 0.82 -0.51 0.04 0.00 0.00 177.00 176.15 1wuz s LEU 88 N -5.89 4.46 0.00 -3.56 1.02 -1.25 -4.63 118.68 108.83 1wuz s LEU 88 Ca 0.61 -0.61 -0.21 0.00 0.02 0.00 0.00 54.13 53.95 1wuz s LEU 88 Cb -0.17 -2.66 0.07 0.00 0.02 0.00 0.00 46.19 43.45 1wuz s LEU 88 CO 0.56 -1.11 0.93 0.00 0.02 0.00 0.00 176.35 176.75 1wuz n GLN 89 N 6.97 0.15 -4.27 1.70 10.64 -0.97 -5.03 117.38 126.56 1wuz n GLN 89 Ca -0.02 -0.59 -0.17 0.00 -1.83 0.00 0.00 57.00 54.39 1wuz n GLN 89 Cb 0.46 0.96 -0.11 0.00 -0.86 0.00 0.00 30.24 30.70 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 -2.06 1.40 0.13 -0.39 -7.23 -1.26 -0.40 120.40 110.59 1wuz s VAL 90 Ca 0.22 -1.95 0.07 0.00 -1.81 0.00 0.00 61.98 58.52 1wuz s VAL 90 Cb -0.01 -1.76 -0.04 0.00 0.56 0.00 0.00 36.38 35.13 1wuz s VAL 90 CO -0.00 -0.55 -0.09 -0.36 -0.31 0.00 0.00 175.10 173.79 1wuz s PHE 91 N -2.68 2.74 -0.30 2.82 0.08 0.87 -4.90 117.98 116.60 1wuz s PHE 91 Ca 0.15 -0.16 -0.19 0.00 0.12 0.00 0.00 56.93 56.84 1wuz s PHE 91 Cb -0.02 -1.40 -0.01 0.00 -0.57 0.00 0.00 43.02 41.02 1wuz s PHE 91 CO 0.03 0.45 0.59 -1.58 -0.10 0.00 0.00 175.22 174.61 1wuz s HIS 92 N -1.36 3.23 -0.09 0.36 2.46 -0.73 -1.95 115.29 117.20 1wuz s HIS 92 Ca 0.23 0.56 0.03 0.00 0.47 0.00 0.00 55.06 56.35 1wuz s HIS 92 Cb -0.10 -2.90 0.01 0.00 -0.13 0.00 0.00 32.58 29.45 1wuz s HIS 92 CO 0.15 -0.42 -0.19 0.08 -2.47 0.00 0.00 174.74 171.89 1wuz s VAL 93 N 2.50 1.69 -0.18 0.89 1.01 -0.71 -1.63 120.40 123.98 1wuz s VAL 93 Ca 0.23 -0.79 -0.02 0.00 0.00 0.00 0.00 61.98 61.40 1wuz s VAL 93 Cb -0.15 -1.49 0.05 0.00 0.00 0.00 0.00 36.38 34.79 1wuz s VAL 93 CO 0.11 0.48 0.01 -0.70 0.00 0.00 0.00 175.10 175.00 1wuz s GLU 94 N 0.56 0.84 -0.18 2.72 2.12 -0.18 -0.09 118.70 124.49 1wuz s GLU 94 Ca -0.15 -0.42 -0.04 0.00 0.36 0.00 0.00 54.97 54.72 1wuz s GLU 94 Cb -0.17 -2.00 -0.03 0.00 0.26 0.00 0.00 34.13 32.20 1wuz s GLU 94 CO 0.05 -0.57 -0.02 0.14 -0.54 0.00 0.00 175.26 174.33 1wuz s VAL 95 N 1.80 3.91 0.16 3.70 -7.23 -0.82 -0.29 120.40 121.63 1wuz s VAL 95 Ca -0.00 -0.34 0.05 0.00 -1.81 0.00 0.00 61.98 59.88 1wuz s VAL 95 Cb -0.16 -2.74 -0.04 0.00 0.56 0.00 0.00 36.38 33.99 1wuz s VAL 95 CO -0.07 0.46 0.11 -0.70 -0.31 0.00 0.00 175.10 174.58 1wuz s GLU 96 N 0.73 2.80 -0.20 4.82 2.12 -1.10 -1.67 118.70 126.21 1wuz s GLU 96 Ca -0.01 -0.90 -0.10 0.00 0.36 0.00 0.00 54.97 54.32 1wuz s GLU 96 Cb -0.14 -2.59 -0.05 0.00 0.26 0.00 0.00 34.13 31.60 1wuz s GLU 96 CO 0.02 0.48 0.12 0.14 -0.54 0.00 0.00 175.26 175.49 1wuz s VAL 97 N -1.72 5.36 -0.28 3.70 -7.23 -1.03 -2.51 120.40 116.67 1wuz s VAL 97 Ca 0.30 0.17 -0.07 0.00 -1.81 0.00 0.00 61.98 60.58 1wuz s VAL 97 Cb -0.10 -3.44 0.00 0.00 0.56 0.00 0.00 36.38 33.40 1wuz s VAL 97 CO 0.22 0.44 0.07 -0.60 -0.31 0.00 0.00 175.10 174.92 1wuz s ARG 98 N 0.37 3.16 0.00 4.82 3.52 -1.01 -4.43 118.95 125.39 1wuz s ARG 98 Ca 0.08 -0.81 0.00 0.00 -0.13 0.00 0.00 55.73 54.87 1wuz s ARG 98 Cb -0.11 -3.34 0.00 0.00 -1.56 0.00 0.00 34.95 29.94 1wuz s ARG 98 CO -0.02 -0.40 0.00 -3.47 -0.81 0.00 0.00 175.30 170.60 1wuz n ASP 99 N 4.86 0.00 -4.43 -2.12 2.03 -1.26 -2.13 116.55 113.50 1wuz n ASP 99 Ca -0.15 -0.98 -0.25 0.00 0.52 0.00 0.00 54.79 53.93 1wuz n ASP 99 Cb 0.48 0.00 -0.11 0.00 -0.72 0.00 0.00 41.12 40.78 1wuz n ASP 99 CO 0.00 0.00 0.00 0.27 -1.92 0.00 0.00 177.20 175.55 1wuz s ILE 100 N -2.03 2.34 0.14 5.18 -4.36 -1.26 -4.92 121.20 116.29 1wuz s ILE 100 Ca 0.00 -2.19 -0.11 0.00 -0.26 0.00 0.00 60.65 58.09 1wuz s ILE 100 Cb 0.00 -2.17 -0.04 0.00 1.25 0.00 0.00 42.46 41.49 1wuz s ILE 100 CO 0.00 -0.27 1.47 0.78 0.24 0.00 0.00 174.94 177.16 1wuz h ASN 101 N 2.79 1.00 -0.38 4.36 4.21 -1.88 -2.89 115.58 122.79 1wuz h ASN 101 Ca -0.43 -0.46 0.11 0.00 1.21 0.00 0.00 56.30 56.73 1wuz h ASN 101 Cb 1.23 -0.28 -0.02 0.00 -1.12 0.00 0.00 38.32 38.13 1wuz h ASN 101 CO 0.54 1.27 0.32 -0.78 -1.29 0.00 0.00 177.43 177.48 1wuz h ASP 102 N 0.76 0.00 0.00 5.81 1.82 -1.96 -3.49 116.42 119.36 1wuz h ASP 102 Ca 0.06 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.70 1wuz h ASP 102 Cb 0.99 0.00 0.00 0.00 0.68 0.00 0.00 39.33 41.00 1wuz h ASP 102 CO 0.10 0.00 0.00 -3.20 -1.61 0.00 0.00 179.24 174.53