#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wc8 n SER 0 N 0.00 0.96 -4.89 1.61 7.64 -1.26 -4.98 113.62 112.70 2wc8 n SER 0 Ca 0.00 1.17 -0.30 0.00 1.01 0.00 0.00 58.87 60.75 2wc8 n SER 0 Cb 0.00 -0.92 0.06 0.00 -1.01 0.00 0.00 64.21 62.34 2wc8 n SER 0 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 2wc8 s THR 1 N 2.07 3.04 0.22 0.44 -4.23 -1.26 -4.82 115.64 111.10 2wc8 s THR 1 Ca 1.00 0.32 -0.08 0.00 -1.18 0.00 0.00 61.69 61.75 2wc8 s THR 1 Cb -1.38 -3.33 0.17 0.00 1.34 0.00 0.00 72.50 69.30 2wc8 s THR 1 CO 0.72 -0.43 1.81 0.11 -0.54 0.00 0.00 174.62 176.29 2wc8 h LYS 2 N -0.76 0.72 -0.85 3.99 1.57 -1.99 -0.16 116.57 119.09 2wc8 h LYS 2 Ca -0.45 -0.04 0.02 0.00 -1.87 0.00 0.00 60.65 58.31 2wc8 h LYS 2 Cb 1.28 -0.16 -0.05 0.00 0.08 0.00 0.00 32.23 33.38 2wc8 h LYS 2 CO 0.64 0.48 0.56 1.25 -0.57 0.00 0.00 179.45 181.81 2wc8 h LEU 3 N 0.74 0.94 -0.45 2.94 5.85 -2.00 -1.23 115.31 122.10 2wc8 h LEU 3 Ca 0.33 -0.01 -0.05 0.00 0.84 0.00 0.00 57.88 58.99 2wc8 h LEU 3 Cb 0.23 -0.22 -0.02 0.00 0.37 0.00 0.00 40.66 41.02 2wc8 h LEU 3 CO -0.20 0.66 0.11 -0.33 -0.34 0.00 0.00 178.44 178.34 2wc8 h GLU 4 N 1.10 0.73 -0.81 1.25 5.08 -1.83 -1.35 114.58 118.75 2wc8 h GLU 4 Ca 0.33 -0.18 0.13 0.00 -1.00 0.00 0.00 59.36 58.64 2wc8 h GLU 4 Cb -0.05 -0.09 -0.09 0.00 0.50 0.00 0.00 28.75 29.02 2wc8 h GLU 4 CO -0.10 0.73 0.42 0.93 -1.00 0.00 0.00 179.01 179.99 2wc8 h GLU 5 N 0.60 0.61 -0.43 2.33 5.08 -0.35 0.62 114.58 123.04 2wc8 h GLU 5 Ca 0.14 -0.04 -0.03 0.00 -1.00 0.00 0.00 59.36 58.44 2wc8 h GLU 5 Cb 0.33 -0.14 -0.02 0.00 0.50 0.00 0.00 28.75 29.42 2wc8 h GLU 5 CO 0.00 0.41 0.15 0.45 -1.00 0.00 0.00 179.01 179.02 2wc8 h HIS 6 N 0.63 0.67 -0.74 4.33 3.86 -0.56 -0.21 115.15 123.13 2wc8 h HIS 6 Ca 0.43 -0.06 0.01 0.00 -1.16 0.00 0.00 60.37 59.59 2wc8 h HIS 6 Cb 0.56 -0.20 -0.04 0.00 1.06 0.00 0.00 27.41 28.79 2wc8 h HIS 6 CO -0.10 0.60 0.49 -0.07 0.86 0.00 0.00 177.93 179.71 2wc8 h LEU 7 N 0.55 0.84 -1.11 2.43 3.38 -0.83 -1.13 115.31 119.43 2wc8 h LEU 7 Ca 0.14 -0.02 0.02 0.00 0.09 0.00 0.00 57.88 58.11 2wc8 h LEU 7 Cb 0.23 -0.21 -0.05 0.00 0.09 0.00 0.00 40.66 40.73 2wc8 h LEU 7 CO -0.01 0.60 0.60 -0.08 0.09 0.00 0.00 178.44 179.65 2wc8 h GLU 8 N 0.99 1.18 -0.21 1.13 4.81 -0.58 -1.95 114.58 119.95 2wc8 h GLU 8 Ca 0.27 -0.07 -0.18 0.00 -0.13 0.00 0.00 59.36 59.25 2wc8 h GLU 8 Cb -0.10 -0.27 -0.00 0.00 0.63 0.00 0.00 28.75 29.01 2wc8 h GLU 8 CO -0.07 0.78 -0.59 0.78 -0.73 0.00 0.00 179.01 179.18 2wc8 h GLY 9 N 1.22 0.77 0.94 1.92 0.00 -0.36 -0.36 103.07 107.20 2wc8 h GLY 9 Ca 0.34 -0.93 -0.05 0.00 0.00 0.00 0.00 47.33 46.69 2wc8 h GLY 9 CO -0.08 0.83 0.06 -2.22 0.00 0.00 0.00 176.54 175.13 2wc8 h ILE 10 N 0.53 1.25 -0.66 2.60 2.04 -0.76 -2.03 117.51 120.47 2wc8 h ILE 10 Ca -0.00 -0.90 0.05 0.00 1.00 0.00 0.00 64.86 65.01 2wc8 h ILE 10 Cb 1.17 1.04 -0.05 0.00 -0.74 0.00 0.00 36.82 38.24 2wc8 h ILE 10 CO 0.12 0.31 0.38 0.58 0.00 0.00 0.00 178.15 179.54 2wc8 h VAL 11 N 0.53 1.00 -0.42 1.67 2.07 -1.22 -2.33 116.25 117.55 2wc8 h VAL 11 Ca 0.12 -0.24 0.03 0.00 0.82 0.00 0.00 66.70 67.42 2wc8 h VAL 11 Cb 0.39 0.22 -0.03 0.00 -1.52 0.00 0.00 31.29 30.35 2wc8 h VAL 11 CO 0.01 0.13 0.23 -1.13 0.02 0.00 0.00 177.57 176.83 2wc8 h ASN 12 N 0.71 0.35 -0.40 0.57 -0.73 -0.80 0.38 115.58 115.66 2wc8 h ASN 12 Ca 0.29 0.01 -0.06 0.00 1.87 0.00 0.00 56.30 58.41 2wc8 h ASN 12 Cb 0.14 -0.06 -0.01 0.00 0.27 0.00 0.00 38.32 38.66 2wc8 h ASN 12 CO -0.16 0.25 0.02 0.40 -0.37 0.00 0.00 177.43 177.57 2wc8 h ILE 13 N 0.46 1.26 -0.45 2.57 2.04 -1.19 0.18 117.51 122.38 2wc8 h ILE 13 Ca 0.17 -0.97 0.07 0.00 1.00 0.00 0.00 64.86 65.13 2wc8 h ILE 13 Cb 0.05 1.11 -0.06 0.00 -0.74 0.00 0.00 36.82 37.18 2wc8 h ILE 13 CO -0.10 0.33 0.11 0.15 0.00 0.00 0.00 178.15 178.64 2wc8 h PHE 14 N 0.52 0.18 -0.30 1.37 3.57 -1.23 -2.81 116.94 118.24 2wc8 h PHE 14 Ca 0.11 0.03 -0.13 0.00 3.53 0.00 0.00 57.97 61.51 2wc8 h PHE 14 Cb 0.45 -0.01 -0.01 0.00 2.79 0.00 0.00 35.95 39.16 2wc8 h PHE 14 CO 0.03 0.03 -0.34 0.45 -2.23 0.00 0.00 178.31 176.26 2wc8 h HIS 15 N 0.25 0.78 -0.96 0.41 3.86 -0.33 -0.61 115.15 118.56 2wc8 h HIS 15 Ca 0.22 -0.21 0.24 0.00 -1.16 0.00 0.00 60.37 59.46 2wc8 h HIS 15 Cb 0.26 -0.17 -0.13 0.00 1.06 0.00 0.00 27.41 28.43 2wc8 h HIS 15 CO -0.20 0.92 0.52 1.96 0.86 0.00 0.00 177.93 181.99 2wc8 h GLN 16 N 0.56 0.49 0.17 2.45 4.20 -0.40 -1.88 115.11 120.70 2wc8 h GLN 16 Ca 0.06 -0.03 -0.25 0.00 0.06 0.00 0.00 58.65 58.49 2wc8 h GLN 16 Cb 0.85 -0.11 0.03 0.00 0.30 0.00 0.00 27.48 28.55 2wc8 h GLN 16 CO 0.07 0.32 -1.10 1.88 -0.67 0.00 0.00 178.83 179.33 2wc8 h TYR 17 N 0.50 0.78 -0.31 2.96 0.05 -1.27 -3.38 116.97 116.30 2wc8 h TYR 17 Ca 0.62 -0.55 -0.08 0.00 0.05 0.00 0.00 58.73 58.77 2wc8 h TYR 17 Cb 1.18 -0.04 -0.02 0.00 1.01 0.00 0.00 36.73 38.87 2wc8 h TYR 17 CO -0.06 1.42 -0.16 0.66 -1.05 0.00 0.00 178.16 178.97 2wc8 h SER 18 N -0.07 0.54 0.93 3.88 4.64 -0.61 -2.83 113.55 120.03 2wc8 h SER 18 Ca -0.19 -0.16 0.00 0.00 -0.47 0.00 0.00 61.79 60.98 2wc8 h SER 18 Cb 1.85 -0.15 0.00 0.00 -0.31 0.00 0.00 62.40 63.79 2wc8 h SER 18 CO 0.21 0.72 0.00 1.33 -0.87 0.00 0.00 176.83 178.22 2wc8 n VAL 19 N -4.17 0.37 -0.36 0.95 0.24 -0.75 -4.02 118.33 110.60 2wc8 n VAL 19 Ca 0.00 0.03 -0.03 0.00 -2.04 0.00 0.00 64.34 62.31 2wc8 n VAL 19 Cb 0.36 -0.67 0.10 0.00 -1.47 0.00 0.00 33.84 32.15 2wc8 n VAL 19 CO 0.00 0.00 0.00 0.03 -2.14 0.00 0.00 176.83 174.72 2wc8 h ARG 20 N 0.00 1.28 -3.44 7.34 3.08 -1.68 -3.46 114.38 117.49 2wc8 h ARG 20 Ca 0.00 -0.10 -0.03 0.00 0.07 0.00 0.00 59.98 59.92 2wc8 h ARG 20 Cb 0.47 -0.27 -0.09 0.00 0.08 0.00 0.00 29.97 30.15 2wc8 h ARG 20 CO 0.00 0.88 -0.02 -1.59 -1.07 0.00 0.00 179.97 178.16 2wc8 s LYS 21 N -6.02 1.52 7.56 0.04 -2.85 -1.26 -5.11 119.74 113.63 2wc8 s LYS 21 Ca -0.13 -1.09 0.00 0.00 -1.00 0.00 0.00 55.97 53.76 2wc8 s LYS 21 Cb 0.17 0.50 0.00 0.00 -2.06 0.00 0.00 37.83 36.45 2wc8 s LYS 21 CO 0.82 -0.64 0.00 0.41 0.10 0.00 0.00 175.35 176.04 2wc8 n GLY 22 N -0.37 3.86 3.78 0.59 0.00 -1.26 -4.61 105.19 107.16 2wc8 n GLY 22 Ca -0.05 0.01 -0.37 0.00 0.00 0.00 0.00 46.02 45.61 2wc8 n GLY 22 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2wc8 s HIS 23 N 0.00 3.39 0.19 1.61 3.76 -1.26 -4.96 115.29 118.02 2wc8 s HIS 23 Ca 0.00 1.67 -0.10 0.00 -0.15 0.00 0.00 55.06 56.48 2wc8 s HIS 23 Cb 0.00 -3.14 0.11 0.00 1.11 0.00 0.00 32.58 30.66 2wc8 s HIS 23 CO 0.00 -0.51 1.76 0.35 -0.85 0.00 0.00 174.74 175.48 2wc8 h PHE 24 N 2.89 1.03 -0.36 1.40 3.57 -1.82 -3.31 116.94 120.34 2wc8 h PHE 24 Ca -0.48 -0.07 0.00 0.00 3.53 0.00 0.00 57.97 60.95 2wc8 h PHE 24 Cb 1.21 -0.31 0.00 0.00 2.79 0.00 0.00 35.95 39.64 2wc8 h PHE 24 CO 0.58 0.79 0.00 -3.47 -2.23 0.00 0.00 178.31 173.99 2wc8 n ASP 25 N -4.40 2.96 -4.31 0.41 2.03 -1.26 -3.03 116.55 108.94 2wc8 n ASP 25 Ca 0.05 -1.96 -0.16 0.00 0.52 0.00 0.00 54.79 53.24 2wc8 n ASP 25 Cb 0.16 -0.24 -0.10 0.00 -0.72 0.00 0.00 41.12 40.22 2wc8 n ASP 25 CO 0.00 0.00 0.00 0.42 -1.92 0.00 0.00 177.20 175.70 2wc8 s THR 26 N -1.00 0.77 0.03 5.18 -4.23 -1.25 -4.46 115.64 110.68 2wc8 s THR 26 Ca 0.25 -2.00 0.01 0.00 -1.18 0.00 0.00 61.69 58.76 2wc8 s THR 26 Cb 0.13 -2.45 -0.02 0.00 1.34 0.00 0.00 72.50 71.50 2wc8 s THR 26 CO 0.17 -0.20 -0.05 -1.48 -0.54 0.00 0.00 174.62 172.53 2wc8 s LEU 27 N -3.29 2.26 0.69 4.79 2.34 -0.75 -4.57 118.68 120.15 2wc8 s LEU 27 Ca 0.32 -0.55 -0.16 0.00 0.06 0.00 0.00 54.13 53.80 2wc8 s LEU 27 Cb 0.07 0.01 0.02 0.00 -0.56 0.00 0.00 46.19 45.72 2wc8 s LEU 27 CO 0.10 -0.28 1.19 -0.94 -1.06 0.00 0.00 176.35 175.36 2wc8 s SER 28 N -1.61 4.57 0.30 1.48 1.04 -1.26 0.06 113.70 118.28 2wc8 s SER 28 Ca -0.12 2.29 0.05 0.00 0.48 0.00 0.00 55.95 58.65 2wc8 s SER 28 Cb -0.09 -2.58 0.76 0.00 0.10 0.00 0.00 66.02 64.21 2wc8 s SER 28 CO -0.01 -2.00 1.68 0.11 0.98 0.00 0.00 173.24 174.00 2wc8 h LYS 29 N 0.01 0.34 -0.41 4.02 1.57 -0.87 0.37 116.57 121.60 2wc8 h LYS 29 Ca -0.48 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.28 2wc8 h LYS 29 Cb 1.29 -0.08 -0.02 0.00 0.08 0.00 0.00 32.23 33.50 2wc8 h LYS 29 CO 0.52 0.22 0.26 0.78 -0.57 0.00 0.00 179.45 180.66 2wc8 h GLY 30 N 0.35 0.58 1.06 3.86 0.00 -1.29 0.69 103.07 108.32 2wc8 h GLY 30 Ca 0.58 -0.23 -0.06 0.00 0.00 0.00 0.00 47.33 47.62 2wc8 h GLY 30 CO -0.57 0.22 0.24 0.83 0.00 0.00 0.00 176.54 177.26 2wc8 h GLU 31 N 0.55 1.17 -0.72 4.80 5.08 -1.63 -2.75 114.58 121.08 2wc8 h GLU 31 Ca 0.15 -0.25 -0.07 0.00 -1.00 0.00 0.00 59.36 58.19 2wc8 h GLU 31 Cb -0.04 -0.17 -0.03 0.00 0.50 0.00 0.00 28.75 29.01 2wc8 h GLU 31 CO -0.03 0.99 0.19 1.25 -1.00 0.00 0.00 179.01 180.41 2wc8 h LEU 32 N 1.13 1.08 -0.87 1.33 5.85 -0.50 -0.42 115.31 122.91 2wc8 h LEU 32 Ca 0.24 -0.23 0.07 0.00 0.84 0.00 0.00 57.88 58.81 2wc8 h LEU 32 Cb 0.31 -0.29 -0.07 0.00 0.37 0.00 0.00 40.66 40.99 2wc8 h LEU 32 CO -0.01 1.03 0.54 0.50 -0.34 0.00 0.00 178.44 180.16 2wc8 h LYS 33 N 1.09 0.93 -0.30 1.25 3.64 -0.68 0.91 116.57 123.41 2wc8 h LYS 33 Ca 0.23 -0.06 -0.05 0.00 -1.27 0.00 0.00 60.65 59.50 2wc8 h LYS 33 Cb 0.36 -0.21 -0.01 0.00 -0.41 0.00 0.00 32.23 31.96 2wc8 h LYS 33 CO 0.00 0.62 -0.02 1.96 -2.27 0.00 0.00 179.45 179.73 2wc8 h GLN 34 N 0.96 0.55 0.16 1.90 4.20 -1.15 -0.78 115.11 120.95 2wc8 h GLN 34 Ca 0.39 -0.19 0.02 0.00 0.06 0.00 0.00 58.65 58.93 2wc8 h GLN 34 Cb 0.22 -0.04 -0.04 0.00 0.30 0.00 0.00 27.48 27.92 2wc8 h GLN 34 CO -0.19 0.71 -0.33 1.25 -0.67 0.00 0.00 178.83 179.60 2wc8 h LEU 35 N 0.33 -0.95 -0.84 1.46 6.46 -0.47 -1.54 115.31 119.76 2wc8 h LEU 35 Ca 0.08 0.10 0.01 0.00 -0.12 0.00 0.00 57.88 57.95 2wc8 h LEU 35 Cb 0.48 0.35 -0.04 0.00 -0.73 0.00 0.00 40.66 40.72 2wc8 h LEU 35 CO 0.02 -0.43 0.55 -0.07 -0.62 0.00 0.00 178.44 177.89 2wc8 h LEU 36 N -0.58 0.97 -0.76 2.25 3.38 -0.70 0.25 115.31 120.12 2wc8 h LEU 36 Ca 0.02 -0.03 0.00 0.00 0.09 0.00 0.00 57.88 57.96 2wc8 h LEU 36 Cb 0.59 -0.24 -0.04 0.00 0.09 0.00 0.00 40.66 41.06 2wc8 h LEU 36 CO -0.17 0.71 0.49 0.74 0.09 0.00 0.00 178.44 180.30 2wc8 h THR 37 N 1.14 1.20 0.00 0.22 2.02 -1.03 -1.00 112.91 115.46 2wc8 h THR 37 Ca 0.31 -0.39 -0.14 0.00 0.77 0.00 0.00 66.41 66.96 2wc8 h THR 37 Cb -0.12 0.10 -0.02 0.00 -1.74 0.00 0.00 68.15 66.37 2wc8 h THR 37 CO -0.07 0.20 -0.77 0.50 0.37 0.00 0.00 175.52 175.75 2wc8 h LYS 38 N 1.04 0.00 0.00 6.66 3.64 -1.01 -3.28 116.57 123.62 2wc8 h LYS 38 Ca 0.28 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.66 2wc8 h LYS 38 Cb -0.10 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.72 2wc8 h LYS 38 CO -0.06 0.96 -0.08 0.39 -2.27 0.00 0.00 179.45 178.39 2wc8 n GLU 39 N -4.51 0.27 -0.61 1.90 -0.58 0.87 -3.06 120.64 114.92 2wc8 n GLU 39 Ca -0.23 0.20 0.04 0.00 -0.42 0.00 0.00 57.16 56.75 2wc8 n GLU 39 Cb 0.59 -1.79 0.20 0.00 -0.57 0.00 0.00 31.44 29.87 2wc8 n GLU 39 CO 0.00 0.00 0.00 1.28 -0.48 0.00 0.00 177.13 177.93 2wc8 n LEU 40 N -2.26 3.04 -0.24 -4.62 4.77 -0.38 -4.87 117.00 112.44 2wc8 n LEU 40 Ca 0.05 -3.81 -0.01 0.00 -0.03 0.00 0.00 56.01 52.21 2wc8 n LEU 40 Cb 0.43 -0.55 0.10 0.00 -2.33 0.00 0.00 43.42 41.08 2wc8 n LEU 40 CO 0.31 1.32 1.10 0.00 -1.33 0.00 0.00 177.39 178.79 2wc8 h ALA 41 N 0.94 0.92 -0.05 -1.18 0.00 -1.60 -0.28 119.26 118.02 2wc8 h ALA 41 Ca 0.05 0.02 -0.25 0.00 0.00 0.00 0.00 54.91 54.73 2wc8 h ALA 41 Cb 1.17 -0.13 0.01 0.00 0.00 0.00 0.00 17.79 18.84 2wc8 h ALA 41 CO 0.10 0.07 -0.94 -0.91 0.00 0.00 0.00 179.25 177.56 2wc8 h ASN 42 N 0.71 0.86 -0.57 0.00 2.35 -1.89 -1.76 115.58 115.28 2wc8 h ASN 42 Ca 0.31 -0.65 0.07 0.00 -0.55 0.00 0.00 56.30 55.48 2wc8 h ASN 42 Cb 0.19 -0.26 -0.06 0.00 0.05 0.00 0.00 38.32 38.24 2wc8 h ASN 42 CO -0.18 1.44 0.25 0.74 -1.65 0.00 0.00 177.43 178.03 2wc8 h THR 43 N 0.42 0.87 0.15 2.81 2.02 -1.83 -1.52 112.91 115.82 2wc8 h THR 43 Ca -0.10 -0.16 -0.01 0.00 0.77 0.00 0.00 66.41 66.91 2wc8 h THR 43 Cb 1.58 0.35 0.00 0.00 -1.74 0.00 0.00 68.15 68.35 2wc8 h THR 43 CO 0.18 0.09 -0.07 0.40 0.37 0.00 0.00 175.52 176.49 2wc8 h ILE 44 N 0.47 0.94 -0.89 3.11 2.04 -1.09 -2.33 117.51 119.76 2wc8 h ILE 44 Ca 0.27 -0.41 0.22 0.00 1.00 0.00 0.00 64.86 65.94 2wc8 h ILE 44 Cb 0.26 1.20 -0.13 0.00 -0.74 0.00 0.00 36.82 37.41 2wc8 h ILE 44 CO -0.23 0.10 0.38 0.50 0.00 0.00 0.00 178.15 178.89 2wc8 h LYS 45 N -0.40 0.36 0.00 2.37 3.64 -1.12 -2.45 116.57 118.97 2wc8 h LYS 45 Ca -0.02 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.34 2wc8 h LYS 45 Cb 0.32 -0.08 0.00 0.00 -0.41 0.00 0.00 32.23 32.06 2wc8 h LYS 45 CO 0.03 0.24 -0.04 0.09 -2.27 0.00 0.00 179.45 177.50 2wc8 n ASN 46 N -5.07 0.68 -4.69 4.20 3.02 -0.59 -4.78 115.26 108.03 2wc8 n ASN 46 Ca 0.22 0.53 -0.42 0.00 -0.03 0.00 0.00 54.58 54.87 2wc8 n ASN 46 Cb 0.67 -0.68 -0.03 0.00 -0.61 0.00 0.00 39.78 39.13 2wc8 n ASN 46 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 2wc8 s ILE 47 N -3.09 4.49 -2.11 2.41 1.01 -0.90 -4.93 121.20 118.07 2wc8 s ILE 47 Ca 0.11 1.79 0.21 0.00 0.00 0.00 0.00 60.65 62.75 2wc8 s ILE 47 Cb 0.13 -4.15 0.05 0.00 0.01 0.00 0.00 42.46 38.51 2wc8 s ILE 47 CO 0.60 0.00 1.06 2.29 0.00 0.00 0.00 174.94 178.89 2wc8 n LYS 48 N 5.10 1.58 -3.33 2.79 -0.00 -1.26 -4.91 118.16 118.14 2wc8 n LYS 48 Ca 0.10 -1.21 -0.42 0.00 -0.00 0.00 0.00 58.31 56.78 2wc8 n LYS 48 Cb 0.47 -1.41 -0.09 0.00 -0.00 0.00 0.00 35.03 34.01 2wc8 n LYS 48 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.40 177.74 2wc8 s ASP 49 N -2.11 6.22 0.25 -5.58 -1.08 -1.26 -4.98 116.67 108.13 2wc8 s ASP 49 Ca 0.19 -0.33 -0.10 0.00 -0.52 0.00 0.00 52.55 51.79 2wc8 s ASP 49 Cb 0.17 -2.23 0.38 0.00 -1.46 0.00 0.00 42.92 39.78 2wc8 s ASP 49 CO 0.43 -0.46 1.60 0.11 0.52 0.00 0.00 175.17 177.36 2wc8 h LYS 50 N 8.56 0.01 0.00 4.34 1.57 -2.01 -2.02 116.57 127.02 2wc8 h LYS 50 Ca -0.28 -0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 58.46 2wc8 h LYS 50 Cb 1.13 -0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.43 2wc8 h LYS 50 CO 0.75 0.01 -0.17 0.00 -0.57 0.00 0.00 179.45 179.47 2wc8 h ALA 51 N 1.81 1.40 0.15 3.86 0.00 -1.99 -2.28 119.26 122.20 2wc8 h ALA 51 Ca 0.40 -0.15 -0.31 0.00 0.00 0.00 0.00 54.91 54.85 2wc8 h ALA 51 Cb 0.64 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.41 2wc8 h ALA 51 CO -0.82 0.21 -1.50 0.28 0.00 0.00 0.00 179.25 177.41 2wc8 h VAL 52 N 0.00 1.20 -0.45 0.00 2.07 -1.79 -1.56 116.25 115.73 2wc8 h VAL 52 Ca -0.00 -2.79 -0.05 0.00 0.82 0.00 0.00 66.70 64.68 2wc8 h VAL 52 Cb 0.37 2.83 -0.02 0.00 -1.52 0.00 0.00 31.29 32.96 2wc8 h VAL 52 CO 0.02 0.84 0.09 0.40 0.02 0.00 0.00 177.57 178.94 2wc8 h ILE 53 N 0.09 1.24 -0.63 4.57 2.04 -1.43 0.69 117.51 124.08 2wc8 h ILE 53 Ca -0.24 -0.86 0.11 0.00 1.00 0.00 0.00 64.86 64.88 2wc8 h ILE 53 Cb 2.04 0.94 -0.08 0.00 -0.74 0.00 0.00 36.82 38.98 2wc8 h ILE 53 CO 0.19 0.30 0.19 0.44 0.00 0.00 0.00 178.15 179.26 2wc8 h ASP 54 N 0.59 0.11 -0.40 1.72 3.32 -1.43 -0.66 116.42 119.67 2wc8 h ASP 54 Ca 0.14 0.10 -0.00 0.00 0.02 0.00 0.00 57.03 57.29 2wc8 h ASP 54 Cb 0.35 0.11 -0.02 0.00 0.22 0.00 0.00 39.33 40.00 2wc8 h ASP 54 CO 0.01 0.06 0.25 -0.08 -1.72 0.00 0.00 179.24 177.75 2wc8 h GLU 55 N 0.33 0.54 -0.54 3.56 4.81 -0.76 0.21 114.58 122.73 2wc8 h GLU 55 Ca 0.33 -0.04 -0.07 0.00 -0.13 0.00 0.00 59.36 59.44 2wc8 h GLU 55 Cb 0.47 -0.11 -0.02 0.00 0.63 0.00 0.00 28.75 29.71 2wc8 h GLU 55 CO -0.38 0.39 0.05 0.82 -0.73 0.00 0.00 179.01 179.16 2wc8 h ILE 56 N 0.53 1.25 -0.58 2.32 2.04 0.19 -2.78 117.51 120.48 2wc8 h ILE 56 Ca 0.14 -0.99 0.00 0.00 1.00 0.00 0.00 64.86 65.01 2wc8 h ILE 56 Cb -0.01 0.78 0.00 0.00 -0.74 0.00 0.00 36.82 36.84 2wc8 h ILE 56 CO -0.03 0.36 0.00 0.49 0.00 0.00 0.00 178.15 178.97 2wc8 n PHE 57 N -4.22 0.85 -1.73 1.37 3.72 -0.36 -4.98 117.46 112.11 2wc8 n PHE 57 Ca 0.03 -0.41 -0.42 0.00 -0.05 0.00 0.00 57.45 56.61 2wc8 n PHE 57 Cb 0.29 -0.03 -0.02 0.00 -0.94 0.00 0.00 39.48 38.77 2wc8 n PHE 57 CO 0.00 0.00 0.00 0.94 -0.05 0.00 0.00 176.76 177.65 2wc8 n GLN 58 N 1.17 2.77 -0.51 -1.08 0.00 0.69 -2.51 117.38 117.91 2wc8 n GLN 58 Ca 0.20 0.99 0.00 0.00 -0.00 0.00 0.00 57.00 58.19 2wc8 n GLN 58 Cb 0.53 -2.82 0.00 0.00 0.00 0.00 0.00 30.24 27.96 2wc8 n GLN 58 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 2wc8 n GLY 59 N 3.19 1.43 0.01 1.69 0.00 -1.26 -4.89 105.19 105.36 2wc8 n GLY 59 Ca 0.13 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.29 2wc8 n GLY 59 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2wc8 n LEU 60 N 0.00 0.11 -0.44 0.99 4.77 -1.04 -2.56 117.00 118.82 2wc8 n LEU 60 Ca 0.00 0.33 0.11 0.00 -0.03 0.00 0.00 56.01 56.42 2wc8 n LEU 60 Cb 0.00 -0.38 -0.00 0.00 -2.33 0.00 0.00 43.42 40.71 2wc8 n LEU 60 CO 0.00 0.02 0.28 0.47 -1.33 0.00 0.00 177.39 176.84 2wc8 n ASP 61 N -1.37 1.89 -4.54 -1.43 10.43 -1.26 -4.35 116.55 115.92 2wc8 n ASP 61 Ca 0.10 -1.44 -0.37 0.00 2.57 0.00 0.00 54.79 55.65 2wc8 n ASP 61 Cb 0.30 0.52 -0.11 0.00 1.84 0.00 0.00 41.12 43.67 2wc8 n ASP 61 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 2wc8 s ALA 62 N -2.53 3.36 -0.97 2.24 0.00 -1.06 -4.49 121.76 118.31 2wc8 s ALA 62 Ca 0.18 -1.06 -0.12 0.00 0.00 0.00 0.00 51.96 50.96 2wc8 s ALA 62 Cb 0.18 -2.24 0.00 0.00 0.00 0.00 0.00 23.12 21.06 2wc8 s ALA 62 CO 0.60 -0.43 0.70 0.09 0.00 0.00 0.00 175.76 176.73 2wc8 n ASN 63 N 4.80 -5.53 0.13 0.00 4.13 -1.26 -4.84 115.26 112.69 2wc8 n ASN 63 Ca -0.15 -0.85 0.10 0.00 1.68 0.00 0.00 54.58 55.36 2wc8 n ASN 63 Cb 0.52 -3.01 0.49 0.00 -1.54 0.00 0.00 39.78 36.24 2wc8 n ASN 63 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 2wc8 n GLN 64 N -3.32 0.14 0.00 3.52 6.02 -1.26 -1.59 117.38 120.88 2wc8 n GLN 64 Ca -0.15 0.54 0.13 0.00 -0.01 0.00 0.00 57.00 57.51 2wc8 n GLN 64 Cb 0.60 -1.87 0.41 0.00 1.02 0.00 0.00 30.24 30.41 2wc8 n GLN 64 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 177.06 175.80 2wc8 n ASP 65 N -2.15 0.35 -4.76 1.08 10.43 -1.26 -1.06 116.55 119.18 2wc8 n ASP 65 Ca 0.00 -0.06 -0.39 0.00 2.57 0.00 0.00 54.79 56.92 2wc8 n ASP 65 Cb 0.10 -0.04 0.01 0.00 1.84 0.00 0.00 41.12 43.03 2wc8 n ASP 65 CO 0.00 0.00 0.00 -1.61 -1.07 0.00 0.00 177.20 174.52 2wc8 s GLU 66 N -2.93 3.69 0.19 -1.24 2.02 -0.62 -4.71 118.70 115.10 2wc8 s GLU 66 Ca 0.14 2.09 -0.15 0.00 0.02 0.00 0.00 54.97 57.07 2wc8 s GLU 66 Cb 0.18 -2.53 -0.07 0.00 0.10 0.00 0.00 34.13 31.81 2wc8 s GLU 66 CO 0.61 -0.70 0.61 -0.65 0.02 0.00 0.00 175.26 175.15 2wc8 s GLN 67 N -2.54 4.04 -0.07 1.61 -1.52 -1.26 -1.12 119.66 118.80 2wc8 s GLN 67 Ca 0.63 0.58 0.04 0.00 -1.95 0.00 0.00 55.36 54.65 2wc8 s GLN 67 Cb -0.37 -2.85 0.00 0.00 -0.22 0.00 0.00 33.01 29.58 2wc8 s GLN 67 CO 0.45 0.42 -0.17 0.08 -0.25 0.00 0.00 175.29 175.81 2wc8 s VAL 68 N -1.55 1.51 0.55 1.09 1.01 0.11 -4.87 120.40 118.24 2wc8 s VAL 68 Ca 0.41 -0.72 0.07 0.00 0.00 0.00 0.00 61.98 61.74 2wc8 s VAL 68 Cb -0.15 -1.33 0.05 0.00 0.00 0.00 0.00 36.38 34.96 2wc8 s VAL 68 CO 0.20 0.44 0.52 1.51 0.00 0.00 0.00 175.10 177.76 2wc8 s ASP 69 N 0.33 4.78 0.27 3.32 1.47 -1.26 -1.81 116.67 123.77 2wc8 s ASP 69 Ca -0.12 -1.12 -0.02 0.00 1.18 0.00 0.00 52.55 52.47 2wc8 s ASP 69 Cb -0.15 0.36 0.37 0.00 -0.34 0.00 0.00 42.92 43.17 2wc8 s ASP 69 CO 0.05 -1.17 1.84 0.15 0.68 0.00 0.00 175.17 176.72 2wc8 h PHE 70 N 0.58 0.94 -0.47 2.11 3.57 -2.00 -2.16 116.94 119.51 2wc8 h PHE 70 Ca -0.35 -0.06 0.00 0.00 3.53 0.00 0.00 57.97 61.09 2wc8 h PHE 70 Cb 1.30 -0.28 -0.02 0.00 2.79 0.00 0.00 35.95 39.73 2wc8 h PHE 70 CO 0.81 0.74 0.31 0.37 -2.23 0.00 0.00 178.31 178.30 2wc8 h GLN 71 N 0.91 0.63 -0.34 1.11 5.75 -1.98 0.13 115.11 121.32 2wc8 h GLN 71 Ca 0.21 -0.04 -0.02 0.00 -0.15 0.00 0.00 58.65 58.65 2wc8 h GLN 71 Cb 0.21 -0.14 -0.02 0.00 1.07 0.00 0.00 27.48 28.60 2wc8 h GLN 71 CO -0.02 0.42 0.11 0.93 -2.65 0.00 0.00 178.83 177.62 2wc8 h GLU 72 N 0.64 0.48 -0.07 1.69 5.08 -1.89 -2.46 114.58 118.05 2wc8 h GLU 72 Ca 0.17 -0.07 -0.14 0.00 -1.00 0.00 0.00 59.36 58.32 2wc8 h GLU 72 Cb -0.07 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.08 2wc8 h GLU 72 CO -0.04 0.43 -0.60 0.35 -1.00 0.00 0.00 179.01 178.15 2wc8 h PHE 73 N 0.48 0.30 -0.90 4.33 3.04 -0.48 -2.43 116.94 121.27 2wc8 h PHE 73 Ca 0.12 -0.11 0.04 0.00 3.98 0.00 0.00 57.97 62.00 2wc8 h PHE 73 Cb 0.15 -0.05 -0.06 0.00 2.56 0.00 0.00 35.95 38.55 2wc8 h PHE 73 CO 0.01 0.77 0.58 0.82 -2.02 0.00 0.00 178.31 178.47 2wc8 h ILE 74 N 0.17 1.13 -0.73 1.41 2.04 -0.34 0.11 117.51 121.31 2wc8 h ILE 74 Ca -0.01 -0.38 0.04 0.00 1.00 0.00 0.00 64.86 65.51 2wc8 h ILE 74 Cb 1.10 -0.08 -0.05 0.00 -0.74 0.00 0.00 36.82 37.06 2wc8 h ILE 74 CO 0.09 0.20 0.45 0.28 0.00 0.00 0.00 178.15 179.18 2wc8 h SER 75 N 1.11 0.73 -0.31 1.72 0.02 -1.25 0.29 113.55 115.86 2wc8 h SER 75 Ca 0.37 0.00 -0.09 0.00 -0.84 0.00 0.00 61.79 61.23 2wc8 h SER 75 Cb 0.04 -0.15 -0.01 0.00 0.14 0.00 0.00 62.40 62.42 2wc8 h SER 75 CO -0.13 0.50 -0.16 -0.07 -1.14 0.00 0.00 176.83 175.83 2wc8 h LEU 76 N 0.87 0.68 -0.88 5.07 3.38 -1.22 -2.54 115.31 120.68 2wc8 h LEU 76 Ca 0.30 -0.41 0.13 0.00 0.09 0.00 0.00 57.88 57.99 2wc8 h LEU 76 Cb 0.05 -0.19 -0.09 0.00 0.09 0.00 0.00 40.66 40.53 2wc8 h LEU 76 CO -0.12 0.94 0.49 0.58 0.09 0.00 0.00 178.44 180.42 2wc8 h VAL 77 N 0.42 0.82 -0.57 1.22 2.07 -0.50 -0.31 116.25 119.39 2wc8 h VAL 77 Ca 0.07 -0.26 -0.11 0.00 0.82 0.00 0.00 66.70 67.22 2wc8 h VAL 77 Cb 0.68 0.00 -0.02 0.00 -1.52 0.00 0.00 31.29 30.44 2wc8 h VAL 77 CO 0.05 0.14 -0.08 0.00 0.02 0.00 0.00 177.57 177.70 2wc8 h ALA 78 N 1.53 0.77 -0.19 1.67 0.00 -0.82 0.91 119.26 123.14 2wc8 h ALA 78 Ca 0.46 -0.34 -0.01 0.00 0.00 0.00 0.00 54.91 55.01 2wc8 h ALA 78 Cb 0.55 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.13 2wc8 h ALA 78 CO -0.31 0.67 0.08 0.82 0.00 0.00 0.00 179.25 180.51 2wc8 h ILE 79 N 0.94 1.15 -0.65 0.00 2.04 -0.96 -2.29 117.51 117.74 2wc8 h ILE 79 Ca 0.15 -0.45 -0.01 0.00 1.00 0.00 0.00 64.86 65.55 2wc8 h ILE 79 Cb 0.65 1.09 -0.03 0.00 -0.74 0.00 0.00 36.82 37.79 2wc8 h ILE 79 CO 0.04 0.15 0.36 0.00 0.00 0.00 0.00 178.15 178.70 2wc8 h ALA 80 N 0.93 1.41 -0.38 1.87 0.00 -0.67 -2.16 119.26 120.27 2wc8 h ALA 80 Ca 0.06 -0.10 -0.02 0.00 0.00 0.00 0.00 54.91 54.86 2wc8 h ALA 80 Cb 0.15 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.66 2wc8 h ALA 80 CO -0.01 0.49 0.15 -0.07 0.00 0.00 0.00 179.25 179.81 2wc8 h LEU 81 N 0.91 0.53 -0.52 0.00 3.38 -0.59 0.96 115.31 119.97 2wc8 h LEU 81 Ca 0.23 -0.17 0.02 0.00 0.09 0.00 0.00 57.88 58.05 2wc8 h LEU 81 Cb 0.01 -0.14 -0.03 0.00 0.09 0.00 0.00 40.66 40.59 2wc8 h LEU 81 CO -0.04 0.56 0.31 0.50 0.09 0.00 0.00 178.44 179.86 2wc8 h LYS 82 N 0.46 0.60 -0.41 1.13 3.64 -0.99 -1.12 116.57 119.88 2wc8 h LYS 82 Ca 0.13 -0.04 -0.05 0.00 -1.27 0.00 0.00 60.65 59.41 2wc8 h LYS 82 Cb 0.20 -0.14 -0.02 0.00 -0.41 0.00 0.00 32.23 31.87 2wc8 h LYS 82 CO -0.01 0.40 0.04 0.00 -2.27 0.00 0.00 179.45 177.61 2wc8 h ALA 83 N 1.23 0.54 -0.25 5.00 0.00 -1.13 -2.03 119.26 122.62 2wc8 h ALA 83 Ca 0.21 -0.23 0.01 0.00 0.00 0.00 0.00 54.91 54.90 2wc8 h ALA 83 Cb 0.02 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.64 2wc8 h ALA 83 CO -0.10 0.29 0.14 0.00 0.00 0.00 0.00 179.25 179.58 2wc8 h ALA 84 N 0.91 0.31 0.31 0.00 0.00 -0.56 -2.12 119.26 118.11 2wc8 h ALA 84 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.03 2wc8 h ALA 84 Cb 0.41 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.13 2wc8 h ALA 84 CO 0.01 -0.26 -0.31 1.25 0.00 0.00 0.00 179.25 179.95 2wc8 h HIS 85 N 0.29 -0.82 -0.90 0.00 6.17 -1.13 -2.39 115.15 116.37 2wc8 h HIS 85 Ca 0.10 0.01 0.21 0.00 0.71 0.00 0.00 60.37 61.40 2wc8 h HIS 85 Cb 0.01 0.32 -0.12 0.00 2.52 0.00 0.00 27.41 30.14 2wc8 h HIS 85 CO -0.09 -0.44 0.41 -0.92 0.71 0.00 0.00 177.93 177.61 2wc8 h TYR 86 N -0.64 0.69 0.00 5.26 3.20 -1.22 -0.91 116.97 123.36 2wc8 h TYR 86 Ca -0.01 0.04 -0.07 0.00 3.14 0.00 0.00 58.73 61.83 2wc8 h TYR 86 Cb 0.59 -0.17 -0.01 0.00 1.54 0.00 0.00 36.73 38.68 2wc8 h TYR 86 CO -0.19 -0.01 -0.33 1.25 -1.64 0.00 0.00 178.16 177.24 2wc8 h HIS 87 N 0.44 0.00 0.00 -3.82 2.76 -1.03 -2.44 115.15 111.07 2wc8 h HIS 87 Ca 0.55 0.00 -0.00 0.00 -2.20 0.00 0.00 60.37 58.72 2wc8 h HIS 87 Cb 1.01 0.00 -0.00 0.00 1.55 0.00 0.00 27.41 29.97 2wc8 h HIS 87 CO -0.12 0.33 -0.02 1.79 -1.30 0.00 0.00 177.93 178.61 2wc8 h THR 88 N 0.00 0.15 -0.61 6.26 1.35 -0.66 -2.15 112.91 117.26 2wc8 h THR 88 Ca -0.00 -0.20 0.00 0.00 -0.55 0.00 0.00 66.41 65.66 2wc8 h THR 88 Cb 0.73 1.17 0.00 0.00 -1.73 0.00 0.00 68.15 68.31 2wc8 h THR 88 CO 0.04 0.02 0.00 1.41 -0.25 0.00 0.00 175.52 176.74 2wc8 n HIS 89 N -3.26 1.07 -2.15 4.73 -0.00 -0.92 -4.96 115.22 109.72 2wc8 n HIS 89 Ca -0.02 -0.56 -0.42 0.00 -0.00 0.00 0.00 57.72 56.72 2wc8 n HIS 89 Cb 0.15 -0.11 -0.03 0.00 -0.00 0.00 0.00 29.99 30.00 2wc8 n HIS 89 CO 0.00 0.00 0.00 0.21 -0.00 0.00 0.00 176.34 176.55 2wc8 s LYS 90 N -1.41 4.28 0.00 -0.41 2.20 -0.81 -5.14 119.74 118.46 2wc8 s LYS 90 Ca 0.45 2.07 0.27 0.00 -0.36 0.00 0.00 55.97 58.40 2wc8 s LYS 90 Cb 0.26 -3.43 1.59 0.00 -1.51 0.00 0.00 37.83 34.74 2wc8 s LYS 90 CO 0.26 -0.54 1.94 0.39 -0.36 0.00 0.00 175.35 177.04