#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 -0.73 -0.05 1.61 0.01 -1.26 -5.04 114.94 109.49 1wuz s ASN 2 Ca 0.00 1.23 0.04 0.00 -0.71 0.00 0.00 52.86 53.41 1wuz s ASN 2 Cb 0.00 1.24 -0.06 0.00 0.41 0.00 0.00 41.25 42.85 1wuz s ASN 2 CO 0.00 -0.22 0.01 -1.20 -1.51 0.00 0.00 177.10 174.18 1wuz n SER 3 N 4.53 3.81 -4.48 -1.22 7.64 -1.26 -4.92 113.62 117.73 1wuz n SER 3 Ca -0.19 -0.00 -0.43 0.00 1.01 0.00 0.00 58.87 59.26 1wuz n SER 3 Cb 0.55 0.52 -0.04 0.00 -1.01 0.00 0.00 64.21 64.24 1wuz n SER 3 CO 0.00 0.00 0.00 -1.58 -3.01 0.00 0.00 175.04 170.45 1wuz s GLN 4 N -2.11 3.19 0.01 1.43 0.74 -1.26 -1.24 119.66 120.41 1wuz s GLN 4 Ca -0.03 -0.60 0.03 0.00 0.05 0.00 0.00 55.36 54.81 1wuz s GLN 4 Cb 0.01 -4.16 -0.01 0.00 1.10 0.00 0.00 33.01 29.95 1wuz s GLN 4 CO 0.18 -1.71 -0.10 0.42 -0.55 0.00 0.00 175.29 173.53 1wuz s ILE 5 N 4.10 0.78 0.03 -2.34 -1.09 -0.48 -5.04 121.20 117.17 1wuz s ILE 5 Ca 0.26 -0.56 0.00 0.00 -2.23 0.00 0.00 60.65 58.11 1wuz s ILE 5 Cb -0.15 -0.68 -0.02 0.00 -1.58 0.00 0.00 42.46 40.02 1wuz s ILE 5 CO 0.14 0.12 -0.04 -1.38 -1.23 0.00 0.00 174.94 172.54 1wuz s HIS 6 N -0.43 0.41 0.30 3.97 -3.43 -1.26 -1.28 115.29 113.56 1wuz s HIS 6 Ca 0.02 -0.62 0.08 0.00 -0.80 0.00 0.00 55.06 53.74 1wuz s HIS 6 Cb -0.05 -0.28 -0.06 0.00 -1.43 0.00 0.00 32.58 30.77 1wuz s HIS 6 CO 0.00 -0.20 -0.10 0.71 -2.00 0.00 0.00 174.74 173.16 1wuz s TYR 7 N -1.91 2.13 -0.34 0.38 2.02 0.38 -4.90 117.35 115.11 1wuz s TYR 7 Ca -0.10 -0.57 0.02 0.00 -0.37 0.00 0.00 57.07 56.05 1wuz s TYR 7 Cb -0.07 -1.16 0.10 0.00 -0.40 0.00 0.00 41.96 40.43 1wuz s TYR 7 CO -0.02 0.45 0.07 -1.12 -1.57 0.00 0.00 175.55 173.35 1wuz s SER 8 N -3.50 4.85 -0.22 2.29 0.01 -0.78 -2.68 113.70 113.67 1wuz s SER 8 Ca 0.30 -2.00 -0.02 0.00 1.31 0.00 0.00 55.95 55.54 1wuz s SER 8 Cb 0.02 -1.67 0.01 0.00 0.21 0.00 0.00 66.02 64.59 1wuz s SER 8 CO 0.13 -0.39 -0.08 -0.51 0.41 0.00 0.00 173.24 172.80 1wuz s ILE 9 N 1.00 2.93 0.26 1.44 2.07 -0.99 -4.60 121.20 123.30 1wuz s ILE 9 Ca 0.07 -0.78 -0.30 0.00 -1.41 0.00 0.00 60.65 58.24 1wuz s ILE 9 Cb -0.20 -2.38 -0.09 0.00 0.13 0.00 0.00 42.46 39.92 1wuz s ILE 9 CO -0.06 0.36 1.26 -2.16 -1.91 0.00 0.00 174.94 172.43 1wuz s PRO 10 N 1.38 4.43 0.88 3.50 0.04 -1.26 -2.26 135.00 141.71 1wuz s PRO 10 Ca 0.04 2.05 -0.15 0.00 0.04 0.00 0.00 61.00 62.98 1wuz s PRO 10 Cb -0.15 -3.16 -0.04 0.00 0.04 0.00 0.00 34.50 31.20 1wuz s PRO 10 CO -0.06 -0.14 0.12 0.39 0.04 0.00 0.00 177.00 177.36 1wuz n GLU 11 N 1.77 -0.06 -1.79 4.56 1.02 -0.97 -2.34 120.64 122.83 1wuz n GLU 11 Ca 0.03 0.02 -0.17 0.00 -0.02 0.00 0.00 57.16 57.02 1wuz n GLU 11 Cb 0.43 -1.60 -0.05 0.00 -0.02 0.00 0.00 31.44 30.20 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 -0.29 -1.22 -1.90 3.49 2.13 -1.25 -4.90 120.64 116.70 1wuz n GLU 12 Ca 0.06 0.98 -0.41 0.00 0.66 0.00 0.00 57.16 58.44 1wuz n GLU 12 Cb 0.53 -5.26 -0.03 0.00 0.27 0.00 0.00 31.44 26.95 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 -2.70 2.60 0.97 4.31 0.00 -0.99 -4.90 121.76 121.06 1wuz s ALA 13 Ca 0.00 0.17 -0.12 0.00 0.00 0.00 0.00 51.96 52.01 1wuz s ALA 13 Cb 0.00 -4.11 0.17 0.00 0.00 0.00 0.00 23.12 19.19 1wuz s ALA 13 CO 0.00 -3.06 1.08 0.15 0.00 0.00 0.00 175.76 173.94 1wuz s LYS 14 N 6.27 0.64 -0.07 0.00 -0.14 -1.26 -4.53 119.74 120.64 1wuz s LYS 14 Ca 0.83 0.86 -0.30 0.00 -1.36 0.00 0.00 55.97 56.00 1wuz s LYS 14 Cb -0.22 -1.73 -0.08 0.00 -1.68 0.00 0.00 37.83 34.11 1wuz s LYS 14 CO 0.31 -2.68 2.05 0.72 -0.76 0.00 0.00 175.35 174.99 1wuz n HIS 15 N -4.19 2.29 0.00 3.18 8.25 -1.26 -1.51 115.22 121.98 1wuz n HIS 15 Ca 0.06 -0.24 0.00 0.00 -0.26 0.00 0.00 57.72 57.29 1wuz n HIS 15 Cb 0.55 -2.76 0.00 0.00 1.12 0.00 0.00 29.99 28.90 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 4.98 1.06 3.77 -1.41 0.00 -0.93 -4.94 105.19 107.73 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 3.65 0.02 2.61 2.01 -0.57 -4.68 115.64 116.68 1wuz s THR 17 Ca 0.00 1.39 -0.30 0.00 0.31 0.00 0.00 61.69 63.08 1wuz s THR 17 Cb 0.00 -3.78 -0.06 0.00 0.01 0.00 0.00 72.50 68.68 1wuz s THR 17 CO 0.00 0.13 1.32 0.12 -0.69 0.00 0.00 174.62 175.50 1wuz s PHE 18 N -1.49 3.10 -0.04 4.92 5.36 -1.26 -2.34 117.98 126.23 1wuz s PHE 18 Ca 0.53 1.01 -0.07 0.00 -0.96 0.00 0.00 56.93 57.44 1wuz s PHE 18 Cb -0.25 -3.58 -0.03 0.00 -0.34 0.00 0.00 43.02 38.82 1wuz s PHE 18 CO 0.32 -2.00 -0.15 0.28 -1.46 0.00 0.00 175.22 172.21 1wuz n VAL 19 N 4.37 1.17 0.00 3.12 0.31 -1.00 -4.69 118.33 121.60 1wuz n VAL 19 Ca 0.12 0.18 0.00 0.00 -0.01 0.00 0.00 64.34 64.63 1wuz n VAL 19 Cb 0.44 -1.84 0.00 0.00 -0.91 0.00 0.00 33.84 31.53 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 2.56 1.49 3.49 2.92 0.00 -1.26 -1.87 105.19 112.52 1wuz n GLY 20 Ca -0.10 0.43 -0.42 0.00 0.00 0.00 0.00 46.02 45.93 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 0.54 -0.10 1.61 5.12 -1.26 -4.03 116.66 118.54 1wuz n ARG 21 Ca 0.00 0.05 -0.12 0.00 -1.93 0.00 0.00 57.85 55.85 1wuz n ARG 21 Cb 0.00 -2.32 -0.04 0.00 -1.16 0.00 0.00 32.46 28.94 1wuz n ARG 21 CO 0.00 0.00 0.00 0.97 -1.93 0.00 0.00 177.63 176.67 1wuz h ILE 22 N 7.69 1.29 -0.17 0.55 2.10 -1.90 -1.74 117.51 125.33 1wuz h ILE 22 Ca -0.16 -1.18 -0.08 0.00 1.08 0.00 0.00 64.86 64.53 1wuz h ILE 22 Cb 1.30 1.43 -0.00 0.00 -1.09 0.00 0.00 36.82 38.46 1wuz h ILE 22 CO 1.23 0.38 -0.20 0.00 -1.08 0.00 0.00 178.15 178.48 1wuz h ALA 23 N 0.77 0.25 -0.83 0.18 0.00 -1.87 -1.28 119.26 116.49 1wuz h ALA 23 Ca 0.07 -0.36 0.04 0.00 0.00 0.00 0.00 54.91 54.66 1wuz h ALA 23 Cb 0.61 -0.05 -0.05 0.00 0.00 0.00 0.00 17.79 18.30 1wuz h ALA 23 CO 0.04 0.18 0.52 0.37 0.00 0.00 0.00 179.25 180.36 1wuz h GLN 24 N 0.07 0.98 0.00 0.00 -0.00 -1.84 0.27 115.11 114.59 1wuz h GLN 24 Ca 0.02 -0.06 -0.05 0.00 -0.00 0.00 0.00 58.65 58.56 1wuz h GLN 24 Cb 0.75 -0.22 -0.01 0.00 0.00 0.00 0.00 27.48 28.00 1wuz h GLN 24 CO 0.05 0.65 -0.25 -0.44 0.00 0.00 0.00 178.83 178.83 1wuz h ASP 25 N 1.01 0.00 0.31 -0.69 3.32 -1.30 -3.21 116.42 115.86 1wuz h ASP 25 Ca 0.34 0.00 -0.33 0.00 0.02 0.00 0.00 57.03 57.05 1wuz h ASP 25 Cb 0.04 0.00 0.03 0.00 0.22 0.00 0.00 39.33 39.63 1wuz h ASP 25 CO -0.13 0.25 -1.47 -0.07 -1.72 0.00 0.00 179.24 176.11 1wuz h LEU 26 N 0.00 0.78 -0.78 1.55 4.07 0.02 -3.47 115.31 117.48 1wuz h LEU 26 Ca -0.00 -0.85 0.00 0.00 0.08 0.00 0.00 57.88 57.10 1wuz h LEU 26 Cb 0.96 -0.26 0.00 0.00 1.08 0.00 0.00 40.66 42.45 1wuz h LEU 26 CO 0.03 1.67 0.00 0.61 -1.08 0.00 0.00 178.44 179.67 1wuz n GLY 27 N 1.70 0.69 1.39 0.83 0.00 0.84 -4.48 105.19 106.16 1wuz n GLY 27 Ca -0.16 -0.28 -0.11 0.00 0.00 0.00 0.00 46.02 45.47 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 -0.39 0.00 -4.87 0.99 4.77 -1.20 -5.09 117.00 111.21 1wuz n LEU 28 Ca 0.00 -1.26 -0.37 0.00 -0.03 0.00 0.00 56.01 54.36 1wuz n LEU 28 Cb 0.25 0.29 -0.06 0.00 -2.33 0.00 0.00 43.42 41.57 1wuz n LEU 28 CO 0.00 -0.19 -0.08 -0.70 -1.33 0.00 0.00 177.39 175.10 1wuz s GLU 29 N -2.67 3.59 0.37 3.23 2.56 -1.26 -4.86 118.70 119.66 1wuz s GLU 29 Ca 0.04 0.02 0.16 0.00 0.00 0.00 0.00 54.97 55.19 1wuz s GLU 29 Cb 0.00 -3.17 0.72 0.00 2.00 0.00 0.00 34.13 33.68 1wuz s GLU 29 CO 0.03 0.73 1.79 1.25 -0.56 0.00 0.00 175.26 178.49 1wuz h LEU 30 N 4.66 0.00 -1.68 2.70 7.12 -1.93 -2.45 115.31 123.73 1wuz h LEU 30 Ca -0.53 0.00 0.00 0.00 0.13 0.00 0.00 57.88 57.48 1wuz h LEU 30 Cb 1.22 0.00 0.00 0.00 -0.53 0.00 0.00 40.66 41.35 1wuz h LEU 30 CO 0.61 0.39 0.00 0.41 -0.13 0.00 0.00 178.44 179.72 1wuz n THR 31 N -3.82 0.24 0.76 1.05 -1.04 -1.26 -3.90 114.28 106.30 1wuz n THR 31 Ca -0.01 -0.50 0.09 0.00 -2.04 0.00 0.00 64.05 61.58 1wuz n THR 31 Cb 0.46 0.84 -0.11 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 0.93 1.01 -0.14 -2.82 -0.58 -0.94 -4.43 120.64 113.68 1wuz n GLU 32 Ca 0.17 -0.02 -0.10 0.00 -0.42 0.00 0.00 57.16 56.79 1wuz n GLU 32 Cb 0.49 -1.36 -0.01 0.00 -0.57 0.00 0.00 31.44 29.99 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 0.74 0.17 -4.62 3.38 -1.65 -1.12 115.31 112.21 1wuz h LEU 33 Ca 0.00 -0.32 0.01 0.00 0.09 0.00 0.00 57.88 57.66 1wuz h LEU 33 Cb 0.47 -0.20 -0.04 0.00 0.09 0.00 0.00 40.66 40.97 1wuz h LEU 33 CO 0.00 0.88 -0.45 0.58 0.09 0.00 0.00 178.44 179.55 1wuz h VAL 34 N 0.58 0.12 0.00 1.22 2.07 -1.81 -1.38 116.25 117.04 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 0.52 0.12 0.00 0.00 -1.52 0.00 0.00 31.29 30.40 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 -0.27 1.57 0.13 -1.81 -2.41 132.00 128.49 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 -2.47 1.71 -3.90 0.86 1.74 -0.43 -4.88 116.66 109.28 1wuz n ARG 36 Ca 0.02 -1.09 -0.31 0.00 -0.77 0.00 0.00 57.85 55.69 1wuz n ARG 36 Cb 0.25 -1.28 0.00 0.00 -1.02 0.00 0.00 32.46 30.41 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 0.36 -2.04 -4.73 0.55 7.99 -0.91 -1.65 117.00 116.57 1wuz n LEU 37 Ca 0.12 -1.08 -0.42 0.00 -0.01 0.00 0.00 56.01 54.63 1wuz n LEU 37 Cb 0.27 -2.14 -0.03 0.00 -0.11 0.00 0.00 43.42 41.41 1wuz n LEU 37 CO 0.09 0.51 0.99 0.12 -1.51 0.00 0.00 177.39 177.58 1wuz s PHE 38 N -3.75 3.28 -0.09 -1.77 5.36 -1.02 -2.53 117.98 117.46 1wuz s PHE 38 Ca 0.25 1.18 -0.16 0.00 -0.96 0.00 0.00 56.93 57.24 1wuz s PHE 38 Cb -0.10 -3.59 0.04 0.00 -0.34 0.00 0.00 43.02 39.02 1wuz s PHE 38 CO 0.90 -1.90 0.39 1.03 -1.46 0.00 0.00 175.22 174.18 1wuz s ARG 39 N 0.24 0.61 -0.04 10.12 0.52 0.05 -5.01 118.95 125.43 1wuz s ARG 39 Ca 0.58 0.23 -0.02 0.00 -0.52 0.00 0.00 55.73 56.00 1wuz s ARG 39 Cb -0.36 0.28 -0.04 0.00 0.52 0.00 0.00 34.95 35.36 1wuz s ARG 39 CO 0.36 -0.13 0.09 0.08 0.02 0.00 0.00 175.30 175.71 1wuz s VAL 40 N -0.54 4.88 -0.08 3.52 1.01 -1.26 -0.70 120.40 127.23 1wuz s VAL 40 Ca -0.07 -0.23 -0.06 0.00 0.00 0.00 0.00 61.98 61.62 1wuz s VAL 40 Cb -0.04 -3.19 0.03 0.00 0.00 0.00 0.00 36.38 33.19 1wuz s VAL 40 CO 0.03 0.45 0.21 0.00 0.00 0.00 0.00 175.10 175.78 1wuz s ALA 41 N -1.12 -0.49 0.16 5.51 0.00 -0.65 -4.85 121.76 120.32 1wuz s ALA 41 Ca 0.20 0.74 0.06 0.00 0.00 0.00 0.00 51.96 52.97 1wuz s ALA 41 Cb -0.12 -0.46 -0.04 0.00 0.00 0.00 0.00 23.12 22.50 1wuz s ALA 41 CO 0.10 -0.14 -0.14 0.45 0.00 0.00 0.00 175.76 176.04 1wuz s SER 42 N 0.68 2.17 0.00 0.00 0.15 -1.26 -1.57 113.70 113.88 1wuz s SER 42 Ca -0.05 -0.93 0.17 0.00 0.70 0.00 0.00 55.95 55.85 1wuz s SER 42 Cb -0.06 -0.08 -0.18 0.00 -1.71 0.00 0.00 66.02 63.99 1wuz s SER 42 CO -0.04 -0.19 0.65 1.17 1.20 0.00 0.00 173.24 176.04 1wuz n LYS 43 N 0.06 0.64 0.00 5.44 4.81 -1.26 -3.58 118.16 124.26 1wuz n LYS 43 Ca -0.12 0.14 0.00 0.00 -0.87 0.00 0.00 58.31 57.46 1wuz n LYS 43 Cb 0.59 -1.73 0.00 0.00 0.02 0.00 0.00 35.03 33.91 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 -2.80 0.00 -0.00 3.14 9.92 -1.26 -4.71 116.55 120.84 1wuz n ASP 44 Ca -0.13 0.50 0.00 0.00 -0.53 0.00 0.00 54.79 54.64 1wuz n ASP 44 Cb 0.87 -0.15 -0.01 0.00 -0.64 0.00 0.00 41.12 41.19 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 -0.96 1.17 0.00 -1.24 1.74 -1.26 -5.01 116.66 111.10 1wuz n ARG 45 Ca 0.00 -0.01 0.00 0.00 -0.77 0.00 0.00 57.85 57.07 1wuz n ARG 45 Cb 0.00 -0.94 0.00 0.00 -1.02 0.00 0.00 32.46 30.50 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 2.21 2.32 2.27 -0.13 0.00 -1.23 -4.89 105.19 105.73 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 0.00 1.10 -0.12 1.61 8.00 -1.26 -4.15 116.55 121.73 1wuz n ASP 47 Ca 0.00 -2.93 -0.23 0.00 0.71 0.00 0.00 54.79 52.34 1wuz n ASP 47 Cb 0.00 -0.64 -0.11 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 1.00 2.50 -3.94 0.64 4.32 -1.26 -4.57 117.00 115.69 1wuz n LEU 48 Ca 0.24 0.11 -0.08 0.00 -0.02 0.00 0.00 56.01 56.26 1wuz n LEU 48 Cb 0.53 -0.91 -0.08 0.00 -1.62 0.00 0.00 43.42 41.34 1wuz n LEU 48 CO 0.23 0.75 -0.18 -0.76 -1.22 0.00 0.00 177.39 176.21 1wuz s LEU 49 N -7.03 1.76 -0.01 2.23 1.02 -1.26 -2.19 118.68 113.21 1wuz s LEU 49 Ca -0.34 -0.78 -0.03 0.00 0.02 0.00 0.00 54.13 53.00 1wuz s LEU 49 Cb 0.11 0.76 -0.00 0.00 0.02 0.00 0.00 46.19 47.07 1wuz s LEU 49 CO 0.58 -0.69 0.05 -1.61 0.02 0.00 0.00 176.35 174.70 1wuz s GLU 50 N -3.88 0.24 -0.00 1.70 0.41 -1.08 -4.90 118.70 111.18 1wuz s GLU 50 Ca 0.06 -0.23 -0.07 0.00 -0.41 0.00 0.00 54.97 54.32 1wuz s GLU 50 Cb 0.06 0.10 -0.05 0.00 -1.78 0.00 0.00 34.13 32.46 1wuz s GLU 50 CO -0.10 -0.05 0.27 0.54 -0.49 0.00 0.00 175.26 175.43 1wuz s VAL 51 N -0.74 5.30 -0.26 2.63 0.11 -1.26 -2.32 120.40 123.86 1wuz s VAL 51 Ca -0.08 0.21 -0.11 0.00 -2.93 0.00 0.00 61.98 59.08 1wuz s VAL 51 Cb -0.05 -3.56 -0.05 0.00 -1.53 0.00 0.00 36.38 31.19 1wuz s VAL 51 CO 0.00 0.40 0.17 0.21 -3.33 0.00 0.00 175.10 172.55 1wuz s ASN 52 N -1.61 6.00 0.00 3.54 2.47 -1.06 -4.95 114.94 119.34 1wuz s ASN 52 Ca 0.26 0.03 0.18 0.00 0.42 0.00 0.00 52.86 53.75 1wuz s ASN 52 Cb -0.13 -2.10 0.85 0.00 -1.45 0.00 0.00 41.25 38.42 1wuz s ASN 52 CO 0.15 0.00 1.55 0.18 -3.72 0.00 0.00 177.10 175.26 1wuz n LEU 53 N 4.72 0.00 0.25 3.21 4.32 -1.26 -0.04 117.00 128.20 1wuz n LEU 53 Ca -0.15 0.37 -0.14 0.00 -0.02 0.00 0.00 56.01 56.07 1wuz n LEU 53 Cb 0.52 -0.37 -0.08 0.00 -1.62 0.00 0.00 43.42 41.88 1wuz n LEU 53 CO 0.34 -0.15 0.50 -0.61 -1.22 0.00 0.00 177.39 176.26 1wuz h GLN 54 N 0.00 -0.64 0.00 3.23 -0.00 -1.92 -3.41 115.11 112.38 1wuz h GLN 54 Ca 0.00 0.04 -0.03 0.00 -0.00 0.00 0.00 58.65 58.67 1wuz h GLN 54 Cb 0.22 0.14 -0.00 0.00 0.00 0.00 0.00 27.48 27.84 1wuz h GLN 54 CO 0.00 -0.33 -1.11 -1.71 0.00 0.00 0.00 178.83 175.68 1wuz n ASN 55 N -5.27 4.57 0.00 -0.69 2.85 -1.22 -5.03 115.26 110.48 1wuz n ASN 55 Ca -0.11 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.36 1wuz n ASN 55 Cb 0.31 0.65 0.00 0.00 1.24 0.00 0.00 39.78 41.98 1wuz n ASN 55 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1wuz n GLY 56 N 2.80 0.70 3.75 8.20 0.00 0.94 -4.95 105.19 116.63 1wuz n GLY 56 Ca -0.02 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.64 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 -2.03 2.64 -0.24 -0.61 1.10 -1.26 -3.69 121.20 117.12 1wuz s ILE 57 Ca 0.00 0.38 -0.15 0.00 -0.51 0.00 0.00 60.65 60.38 1wuz s ILE 57 Cb 0.00 -3.10 -0.04 0.00 0.15 0.00 0.00 42.46 39.47 1wuz s ILE 57 CO 0.00 -0.10 0.36 -0.22 -2.11 0.00 0.00 174.94 172.86 1wuz s LEU 58 N -4.24 4.09 -0.08 8.50 1.98 -1.26 -2.55 118.68 125.13 1wuz s LEU 58 Ca 0.76 0.35 0.01 0.00 -2.89 0.00 0.00 54.13 52.37 1wuz s LEU 58 Cb -0.29 -2.42 -0.03 0.00 0.66 0.00 0.00 46.19 44.11 1wuz s LEU 58 CO 0.35 -0.11 -0.09 0.72 -1.89 0.00 0.00 176.35 175.33 1wuz s PHE 59 N 1.65 2.87 0.48 5.38 -0.71 -0.98 -2.38 117.98 124.29 1wuz s PHE 59 Ca 0.16 -0.11 -0.23 0.00 -1.04 0.00 0.00 56.93 55.71 1wuz s PHE 59 Cb -0.15 -1.72 -0.07 0.00 -1.21 0.00 0.00 43.02 39.87 1wuz s PHE 59 CO 0.08 0.22 1.23 0.08 -1.34 0.00 0.00 175.22 175.49 1wuz s VAL 60 N -0.60 2.78 -0.35 -2.49 1.01 -0.99 -2.64 120.40 117.12 1wuz s VAL 60 Ca 0.09 0.59 0.15 0.00 0.00 0.00 0.00 61.98 62.81 1wuz s VAL 60 Cb -0.12 -3.31 0.43 0.00 0.00 0.00 0.00 36.38 33.39 1wuz s VAL 60 CO 0.02 0.00 1.14 -3.20 0.00 0.00 0.00 175.10 173.06 1wuz n ASN 61 N -0.59 0.04 -1.05 3.32 5.15 -0.93 -2.20 115.26 119.01 1wuz n ASN 61 Ca 0.08 -2.55 0.00 0.00 -0.60 0.00 0.00 54.58 51.51 1wuz n ASN 61 Cb 0.47 0.12 0.00 0.00 -0.53 0.00 0.00 39.78 39.84 1wuz n ASN 61 CO 0.00 0.00 0.00 -1.54 1.40 0.00 0.00 177.26 177.12 1wuz n SER 62 N -0.36 -0.03 -4.65 1.20 3.41 -1.13 -4.44 113.62 107.62 1wuz n SER 62 Ca 0.03 -1.01 -0.40 0.00 -0.26 0.00 0.00 58.87 57.23 1wuz n SER 62 Cb 0.83 0.04 -0.06 0.00 -0.26 0.00 0.00 64.21 64.76 1wuz n SER 62 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 1wuz s ARG 63 N -2.00 4.18 -0.01 4.33 3.00 -1.26 -4.80 118.95 122.39 1wuz s ARG 63 Ca 0.01 0.56 0.13 0.00 0.00 0.00 0.00 55.73 56.42 1wuz s ARG 63 Cb -0.00 -3.59 -0.19 0.00 0.00 0.00 0.00 34.95 31.17 1wuz s ARG 63 CO 0.00 -0.26 0.33 -0.89 0.00 0.00 0.00 175.30 174.48 1wuz n ILE 64 N 4.78 0.00 -1.55 1.52 2.08 -1.26 -4.12 119.36 120.81 1wuz n ILE 64 Ca -0.02 -0.28 -0.45 0.00 0.56 0.00 0.00 62.75 62.56 1wuz n ILE 64 Cb 0.50 0.37 -0.02 0.00 -0.75 0.00 0.00 39.64 39.73 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 -1.81 0.82 -0.30 4.38 -0.08 -1.26 -3.90 116.55 114.40 1wuz n ASP 65 Ca -0.01 1.17 0.28 0.00 -1.51 0.00 0.00 54.79 54.71 1wuz n ASP 65 Cb 0.31 -1.22 0.63 0.00 2.34 0.00 0.00 41.12 43.17 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 1.83 0.19 -0.37 -0.67 0.11 -1.95 0.55 114.38 114.07 1wuz h ARG 66 Ca -0.37 -0.01 -0.01 0.00 0.10 0.00 0.00 59.98 59.68 1wuz h ARG 66 Cb 1.36 -0.04 -0.02 0.00 1.11 0.00 0.00 29.97 32.38 1wuz h ARG 66 CO 0.60 0.13 0.18 1.49 0.10 0.00 0.00 179.97 182.47 1wuz h GLU 67 N 0.20 0.53 0.00 0.08 4.81 -1.87 0.39 114.58 118.72 1wuz h GLU 67 Ca 0.55 -0.08 -0.02 0.00 -0.13 0.00 0.00 59.36 59.68 1wuz h GLU 67 Cb 1.79 -0.10 -0.00 0.00 0.63 0.00 0.00 28.75 31.07 1wuz h GLU 67 CO -0.15 0.47 -0.23 0.93 -0.73 0.00 0.00 179.01 179.30 1wuz h GLU 68 N 0.47 0.00 0.00 1.92 3.07 -1.03 -3.41 114.58 115.60 1wuz h GLU 68 Ca 0.13 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.99 1wuz h GLU 68 Cb 0.11 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.02 1wuz h GLU 68 CO -0.02 0.35 0.00 -0.11 -1.40 0.00 0.00 179.01 177.83 1wuz n LEU 69 N -4.67 0.00 0.09 1.33 -0.00 0.16 -4.90 117.00 109.01 1wuz n LEU 69 Ca -0.07 0.90 0.00 0.00 -0.00 0.00 0.00 56.01 56.84 1wuz n LEU 69 Cb 0.24 -0.40 0.00 0.00 -0.00 0.00 0.00 43.42 43.26 1wuz n LEU 69 CO 0.12 -0.40 0.00 0.00 -0.00 0.00 0.00 177.39 177.11 1wuz n GLY 71 N -1.43 0.65 0.00 0.00 0.00 0.13 -4.74 105.19 99.80 1wuz n GLY 71 Ca 0.00 -0.09 0.00 0.00 0.00 0.00 0.00 46.02 45.93 1wuz n GLY 71 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1wuz n ARG 72 N -0.88 0.00 -4.02 1.61 3.00 -1.26 -4.93 116.66 110.19 1wuz n ARG 72 Ca -0.06 0.27 -0.27 0.00 -0.01 0.00 0.00 57.85 57.78 1wuz n ARG 72 Cb 0.43 -0.88 -0.04 0.00 0.00 0.00 0.00 32.46 31.96 1wuz n ARG 72 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.63 178.08 1wuz s SER 73 N -2.05 5.88 0.54 0.55 0.15 -1.26 -4.99 113.70 112.53 1wuz s SER 73 Ca 0.00 0.02 0.30 0.00 0.70 0.00 0.00 55.95 56.97 1wuz s SER 73 Cb 0.00 -1.65 1.47 0.00 -1.71 0.00 0.00 66.02 64.12 1wuz s SER 73 CO 0.00 0.07 1.91 0.00 1.20 0.00 0.00 173.24 176.43 1wuz h ALA 74 N 2.40 2.74 -3.70 5.45 0.00 -1.92 -3.34 119.26 120.88 1wuz h ALA 74 Ca -0.48 -0.03 -0.67 0.00 0.00 0.00 0.00 54.91 53.73 1wuz h ALA 74 Cb 1.19 0.06 -0.36 0.00 0.00 0.00 0.00 17.79 18.69 1wuz h ALA 74 CO 0.66 -0.99 -0.78 -1.83 0.00 0.00 0.00 179.25 176.31 1wuz s GLU 75 N -4.96 2.36 -0.17 0.00 -1.05 -1.26 -4.62 118.70 109.00 1wuz s GLU 75 Ca -0.05 -1.28 -0.03 0.00 -0.15 0.00 0.00 54.97 53.47 1wuz s GLU 75 Cb 0.21 -2.94 -0.02 0.00 -0.44 0.00 0.00 34.13 30.94 1wuz s GLU 75 CO 0.75 -0.55 -0.07 0.00 0.95 0.00 0.00 175.26 176.34 1wuz s SER 77 N 0.79 6.02 -0.00 0.00 1.04 -1.26 -2.46 113.70 117.83 1wuz s SER 77 Ca -0.03 0.27 0.05 0.00 0.48 0.00 0.00 55.95 56.73 1wuz s SER 77 Cb -0.15 -1.83 -0.01 0.00 0.10 0.00 0.00 66.02 64.13 1wuz s SER 77 CO 0.01 0.30 -0.16 -0.63 0.98 0.00 0.00 173.24 173.74 1wuz s ILE 78 N -1.20 1.30 -0.02 -1.02 1.09 -0.61 -5.01 121.20 115.73 1wuz s ILE 78 Ca 0.23 -0.79 0.05 0.00 -1.10 0.00 0.00 60.65 59.04 1wuz s ILE 78 Cb -0.12 -1.10 -0.03 0.00 -1.06 0.00 0.00 42.46 40.15 1wuz s ILE 78 CO 0.13 0.30 -0.15 -1.00 -0.10 0.00 0.00 174.94 174.13 1wuz s HIS 79 N -0.48 2.67 0.04 3.97 3.76 -1.26 -1.95 115.29 122.04 1wuz s HIS 79 Ca 0.06 -0.18 -0.05 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 -0.00 0.21 0.09 -1.17 -0.85 0.00 0.00 174.74 173.02 1wuz s LEU 80 N -0.99 1.86 -0.18 0.89 0.20 0.69 -4.67 118.68 116.48 1wuz s LEU 80 Ca 0.13 -0.59 -0.00 0.00 0.69 0.00 0.00 54.13 54.36 1wuz s LEU 80 Cb -0.11 0.58 0.04 0.00 -0.43 0.00 0.00 46.19 46.28 1wuz s LEU 80 CO 0.02 -0.53 -0.07 -1.61 -0.29 0.00 0.00 176.35 173.88 1wuz s GLU 81 N -2.80 1.61 -0.47 1.98 8.01 -0.61 -2.09 118.70 124.33 1wuz s GLU 81 Ca -0.03 -0.61 -0.21 0.00 0.01 0.00 0.00 54.97 54.12 1wuz s GLU 81 Cb -0.00 -2.13 0.03 0.00 -4.31 0.00 0.00 34.13 27.72 1wuz s GLU 81 CO -0.06 -0.43 0.69 0.08 0.01 0.00 0.00 175.26 175.55 1wuz s VAL 82 N 1.56 4.76 0.06 2.63 1.01 -1.07 -1.64 120.40 127.72 1wuz s VAL 82 Ca 0.00 0.03 -0.26 0.00 0.00 0.00 0.00 61.98 61.75 1wuz s VAL 82 Cb -0.16 -4.28 -0.06 0.00 0.00 0.00 0.00 36.38 31.89 1wuz s VAL 82 CO -0.08 -0.72 0.80 -0.51 0.00 0.00 0.00 175.10 174.59 1wuz s ILE 83 N 2.97 4.67 0.00 2.22 -1.16 0.13 -1.89 121.20 128.14 1wuz s ILE 83 Ca 0.23 1.70 0.01 0.00 -0.51 0.00 0.00 60.65 62.08 1wuz s ILE 83 Cb -0.15 -4.15 -0.00 0.00 0.61 0.00 0.00 42.46 38.77 1wuz s ILE 83 CO 0.18 0.37 -0.03 0.68 -2.81 0.00 0.00 174.94 173.32 1wuz s VAL 84 N -0.11 0.26 -0.25 4.00 -7.23 -0.89 -0.77 120.40 115.40 1wuz s VAL 84 Ca 0.40 -0.20 -0.03 0.00 -1.81 0.00 0.00 61.98 60.33 1wuz s VAL 84 Cb -0.21 -0.23 0.01 0.00 0.56 0.00 0.00 36.38 36.51 1wuz s VAL 84 CO 0.24 0.03 -0.03 -0.62 -0.31 0.00 0.00 175.10 174.42 1wuz s ASP 85 N -0.18 4.47 -0.28 4.85 -1.08 -0.66 -2.45 116.67 121.33 1wuz s ASP 85 Ca 0.00 -0.72 -0.09 0.00 -0.52 0.00 0.00 52.55 51.23 1wuz s ASP 85 Cb -0.02 -1.73 0.01 0.00 -1.46 0.00 0.00 42.92 39.73 1wuz s ASP 85 CO -0.00 -0.11 0.32 0.54 0.52 0.00 0.00 175.17 176.43 1wuz n ARG 86 N 4.74 -1.88 -1.66 4.34 1.74 -1.26 -3.36 116.66 119.32 1wuz n ARG 86 Ca -0.17 1.77 -0.33 0.00 -0.77 0.00 0.00 57.85 58.36 1wuz n ARG 86 Cb 0.48 -4.37 0.06 0.00 -1.02 0.00 0.00 32.46 27.60 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 -1.90 2.70 -0.39 5.56 0.04 -1.26 -4.25 135.00 135.50 1wuz s PRO 87 Ca 0.13 1.35 -0.17 0.00 0.04 0.00 0.00 61.00 62.35 1wuz s PRO 87 Cb -0.04 -1.94 0.01 0.00 0.04 0.00 0.00 34.50 32.57 1wuz s PRO 87 CO 0.55 -1.32 0.44 -1.17 0.04 0.00 0.00 177.00 175.54 1wuz s LEU 88 N -5.06 4.66 0.00 -3.56 2.96 -1.26 -4.66 118.68 111.76 1wuz s LEU 88 Ca 0.66 -0.45 -0.12 0.00 -0.22 0.00 0.00 54.13 53.99 1wuz s LEU 88 Cb -0.20 -2.43 0.04 0.00 0.50 0.00 0.00 46.19 44.10 1wuz s LEU 88 CO 0.44 -0.52 0.56 0.00 -1.32 0.00 0.00 176.35 175.51 1wuz n GLN 89 N 5.62 0.01 -4.27 1.98 1.13 -1.02 -5.03 117.38 115.79 1wuz n GLN 89 Ca -0.07 -0.22 -0.18 0.00 -1.94 0.00 0.00 57.00 54.59 1wuz n GLN 89 Cb 0.48 0.42 -0.11 0.00 0.11 0.00 0.00 30.24 31.14 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 -2.01 1.43 -0.15 5.09 1.01 -1.26 -2.08 120.40 122.41 1wuz s VAL 90 Ca 0.13 -1.84 0.02 0.00 0.00 0.00 0.00 61.98 60.29 1wuz s VAL 90 Cb -0.00 -1.67 0.01 0.00 0.00 0.00 0.00 36.38 34.72 1wuz s VAL 90 CO -0.01 -0.46 -0.20 -0.36 0.00 0.00 0.00 175.10 174.07 1wuz s PHE 91 N -2.35 2.72 -0.23 5.22 0.08 -0.79 -4.93 117.98 117.69 1wuz s PHE 91 Ca 0.12 -1.35 -0.29 0.00 0.12 0.00 0.00 56.93 55.53 1wuz s PHE 91 Cb -0.04 -1.86 -0.02 0.00 -0.57 0.00 0.00 43.02 40.53 1wuz s PHE 91 CO 0.04 -0.63 1.63 -1.58 -0.10 0.00 0.00 175.22 174.57 1wuz s HIS 92 N 0.94 2.08 -0.12 0.36 2.46 -0.37 -2.58 115.29 118.05 1wuz s HIS 92 Ca -0.04 0.55 0.03 0.00 0.47 0.00 0.00 55.06 56.07 1wuz s HIS 92 Cb -0.15 -4.01 0.00 0.00 -0.13 0.00 0.00 32.58 28.30 1wuz s HIS 92 CO -0.04 -2.93 -0.22 0.08 -2.47 0.00 0.00 174.74 169.16 1wuz s VAL 93 N 5.37 2.18 -0.16 0.89 1.01 -0.89 -1.38 120.40 127.41 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 -0.24 -1.86 0.04 0.00 0.00 0.00 0.00 36.38 34.32 1wuz s VAL 93 CO 0.30 0.55 -0.03 -1.61 0.00 0.00 0.00 175.10 174.31 1wuz s GLU 94 N 0.60 1.16 -0.16 2.72 2.02 -0.41 -0.22 118.70 124.41 1wuz s GLU 94 Ca -0.12 -0.43 -0.02 0.00 0.02 0.00 0.00 54.97 54.42 1wuz s GLU 94 Cb -0.17 -1.91 -0.02 0.00 0.10 0.00 0.00 34.13 32.13 1wuz s GLU 94 CO 0.03 -0.47 -0.08 0.14 0.02 0.00 0.00 175.26 174.90 1wuz s VAL 95 N 1.72 3.37 0.16 2.63 -7.23 -0.82 -0.47 120.40 119.77 1wuz s VAL 95 Ca 0.01 -0.53 0.05 0.00 -1.81 0.00 0.00 61.98 59.70 1wuz s VAL 95 Cb -0.15 -2.46 -0.04 0.00 0.56 0.00 0.00 36.38 34.29 1wuz s VAL 95 CO -0.07 0.50 0.11 -0.70 -0.31 0.00 0.00 175.10 174.62 1wuz s GLU 96 N 0.57 2.82 -0.14 4.82 2.12 -1.09 -1.58 118.70 126.22 1wuz s GLU 96 Ca -0.06 -0.91 -0.18 0.00 0.36 0.00 0.00 54.97 54.19 1wuz s GLU 96 Cb -0.15 -2.60 -0.04 0.00 0.26 0.00 0.00 34.13 31.60 1wuz s GLU 96 CO 0.03 0.48 0.46 0.14 -0.54 0.00 0.00 175.26 175.83 1wuz s VAL 97 N -1.74 5.19 -0.46 3.70 -7.23 -1.03 -2.33 120.40 116.50 1wuz s VAL 97 Ca 0.30 0.89 -0.16 0.00 -1.81 0.00 0.00 61.98 61.21 1wuz s VAL 97 Cb -0.10 -3.80 0.06 0.00 0.56 0.00 0.00 36.38 33.10 1wuz s VAL 97 CO 0.23 0.30 0.38 -0.60 -0.31 0.00 0.00 175.10 175.09 1wuz s ARG 98 N 0.85 2.99 -0.01 4.82 3.00 -0.96 -4.59 118.95 125.05 1wuz s ARG 98 Ca 0.24 -1.23 -0.02 0.00 -1.00 0.00 0.00 55.73 53.72 1wuz s ARG 98 Cb -0.15 -4.09 0.01 0.00 0.00 0.00 0.00 34.95 30.72 1wuz s ARG 98 CO 0.09 -0.96 0.10 -3.47 0.00 0.00 0.00 175.30 171.07 1wuz n ASP 99 N 5.24 -0.08 -4.57 -2.12 2.03 -1.26 -2.29 116.55 113.51 1wuz n ASP 99 Ca -0.12 -1.00 -0.26 0.00 0.52 0.00 0.00 54.79 53.93 1wuz n ASP 99 Cb 0.45 0.11 -0.09 0.00 -0.72 0.00 0.00 41.12 40.87 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 -2.00 3.12 -0.07 5.18 1.01 -1.26 -4.90 121.20 122.28 1wuz s ILE 100 Ca 0.02 -1.79 -0.10 0.00 0.00 0.00 0.00 60.65 58.78 1wuz s ILE 100 Cb -0.00 -2.57 -0.07 0.00 0.01 0.00 0.00 42.46 39.83 1wuz s ILE 100 CO -0.00 -0.18 0.41 -1.13 0.00 0.00 0.00 174.94 174.03 1wuz h ASN 101 N 2.69 -0.22 -0.29 3.58 -1.24 -1.91 -3.37 115.58 114.81 1wuz h ASN 101 Ca -0.46 -0.07 -0.13 0.00 0.71 0.00 0.00 56.30 56.35 1wuz h ASN 101 Cb 1.22 0.06 -0.08 0.00 0.73 0.00 0.00 38.32 40.25 1wuz h ASN 101 CO 0.55 0.27 -0.10 0.47 -1.29 0.00 0.00 177.43 177.34 1wuz n ASP 102 N -4.95 2.63 0.00 1.15 8.00 -1.26 -5.00 116.55 117.11 1wuz n ASP 102 Ca -0.04 -3.63 0.00 0.00 0.71 0.00 0.00 54.79 51.83 1wuz n ASP 102 Cb 0.14 -0.60 0.00 0.00 -0.02 0.00 0.00 41.12 40.64 1wuz n ASP 102 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40