#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wc8 s THR 1 N 0.00 2.15 0.21 0.44 -4.23 -1.26 -4.85 115.64 108.10 2wc8 s THR 1 Ca 0.00 -0.26 -0.10 0.00 -1.18 0.00 0.00 61.69 60.15 2wc8 s THR 1 Cb 0.00 -2.89 0.15 0.00 1.34 0.00 0.00 72.50 71.10 2wc8 s THR 1 CO 0.00 0.00 1.85 0.11 -0.54 0.00 0.00 174.62 176.04 2wc8 h LYS 2 N -0.90 1.03 -0.84 3.99 1.57 -2.06 0.44 116.57 119.81 2wc8 h LYS 2 Ca -0.43 -0.09 0.03 0.00 -1.87 0.00 0.00 60.65 58.29 2wc8 h LYS 2 Cb 1.28 -0.22 -0.05 0.00 0.08 0.00 0.00 32.23 33.33 2wc8 h LYS 2 CO 0.49 0.73 0.54 1.25 -0.57 0.00 0.00 179.45 181.89 2wc8 h LEU 3 N 1.04 0.91 -0.80 2.94 5.85 -2.00 -1.65 115.31 121.59 2wc8 h LEU 3 Ca 0.27 -0.01 -0.09 0.00 0.84 0.00 0.00 57.88 58.89 2wc8 h LEU 3 Cb -0.03 -0.21 -0.02 0.00 0.37 0.00 0.00 40.66 40.77 2wc8 h LEU 3 CO -0.05 0.63 -0.06 -0.33 -0.34 0.00 0.00 178.44 178.29 2wc8 h GLU 4 N 1.07 0.84 -0.59 1.25 5.08 -1.73 -1.94 114.58 118.56 2wc8 h GLU 4 Ca 0.33 -0.26 -0.05 0.00 -1.00 0.00 0.00 59.36 58.38 2wc8 h GLU 4 Cb -0.02 -0.08 -0.03 0.00 0.50 0.00 0.00 28.75 29.12 2wc8 h GLU 4 CO -0.10 0.88 0.18 0.93 -1.00 0.00 0.00 179.01 179.90 2wc8 h GLU 5 N 0.76 0.89 -0.42 2.33 5.08 -0.48 -0.77 114.58 121.98 2wc8 h GLU 5 Ca 0.14 -0.17 -0.14 0.00 -1.00 0.00 0.00 59.36 58.19 2wc8 h GLU 5 Cb 0.55 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 29.65 2wc8 h GLU 5 CO 0.03 0.77 -0.29 0.45 -1.00 0.00 0.00 179.01 178.97 2wc8 h HIS 6 N 0.86 1.05 -0.04 4.33 3.86 -0.89 0.17 115.15 124.49 2wc8 h HIS 6 Ca 0.20 -0.27 0.01 0.00 -1.16 0.00 0.00 60.37 59.14 2wc8 h HIS 6 Cb 0.25 -0.24 -0.01 0.00 1.06 0.00 0.00 27.41 28.47 2wc8 h HIS 6 CO 0.02 1.07 -0.03 -0.07 0.86 0.00 0.00 177.93 179.78 2wc8 h LEU 7 N 0.76 -0.09 -0.99 2.43 3.38 -0.83 -0.88 115.31 119.10 2wc8 h LEU 7 Ca 0.09 0.02 0.03 0.00 0.09 0.00 0.00 57.88 58.11 2wc8 h LEU 7 Cb 0.85 0.05 -0.06 0.00 0.09 0.00 0.00 40.66 41.59 2wc8 h LEU 7 CO 0.08 -0.04 0.65 -0.08 0.09 0.00 0.00 178.44 179.13 2wc8 h GLU 8 N -0.03 1.23 -0.72 1.13 4.81 -1.01 -1.57 114.58 118.42 2wc8 h GLU 8 Ca 0.03 -0.07 0.01 0.00 -0.13 0.00 0.00 59.36 59.19 2wc8 h GLU 8 Cb 0.07 -0.28 -0.04 0.00 0.63 0.00 0.00 28.75 29.14 2wc8 h GLU 8 CO -0.06 0.81 0.47 0.78 -0.73 0.00 0.00 179.01 180.29 2wc8 h GLY 9 N 1.27 1.01 0.97 1.92 0.00 -0.28 0.26 103.07 108.22 2wc8 h GLY 9 Ca 0.39 -0.37 -0.01 0.00 0.00 0.00 0.00 47.33 47.34 2wc8 h GLY 9 CO -0.12 0.36 0.24 -2.22 0.00 0.00 0.00 176.54 174.80 2wc8 h ILE 10 N 0.96 1.17 -0.82 2.60 2.04 -0.71 -1.11 117.51 121.63 2wc8 h ILE 10 Ca 0.27 -0.46 -0.01 0.00 1.00 0.00 0.00 64.86 65.65 2wc8 h ILE 10 Cb -0.10 0.64 -0.04 0.00 -0.74 0.00 0.00 36.82 36.58 2wc8 h ILE 10 CO -0.06 0.18 0.46 0.58 0.00 0.00 0.00 178.15 179.31 2wc8 h VAL 11 N 0.60 1.24 -0.76 1.67 2.07 -0.93 -2.35 116.25 117.79 2wc8 h VAL 11 Ca 0.16 -0.57 0.01 0.00 0.82 0.00 0.00 66.70 67.11 2wc8 h VAL 11 Cb 0.08 0.13 -0.04 0.00 -1.52 0.00 0.00 31.29 29.94 2wc8 h VAL 11 CO -0.02 0.26 0.50 0.78 0.02 0.00 0.00 177.57 179.11 2wc8 h ASN 12 N 1.14 0.88 -0.47 0.57 2.35 0.08 -1.41 115.58 118.71 2wc8 h ASN 12 Ca 0.29 -0.02 -0.09 0.00 -0.55 0.00 0.00 56.30 55.92 2wc8 h ASN 12 Cb 0.01 -0.22 -0.02 0.00 0.05 0.00 0.00 38.32 38.14 2wc8 h ASN 12 CO -0.05 0.64 -0.07 0.40 -1.65 0.00 0.00 177.43 176.70 2wc8 h ILE 13 N 1.04 1.27 -0.59 2.81 2.04 -1.02 -0.78 117.51 122.28 2wc8 h ILE 13 Ca 0.28 -1.17 0.08 0.00 1.00 0.00 0.00 64.86 65.05 2wc8 h ILE 13 Cb -0.12 1.08 -0.07 0.00 -0.74 0.00 0.00 36.82 36.97 2wc8 h ILE 13 CO -0.06 0.40 0.24 0.15 0.00 0.00 0.00 178.15 178.89 2wc8 h PHE 14 N 0.72 0.43 -0.05 1.37 3.57 -1.26 -2.83 116.94 118.89 2wc8 h PHE 14 Ca 0.12 0.03 -0.13 0.00 3.53 0.00 0.00 57.97 61.53 2wc8 h PHE 14 Cb 0.60 -0.10 -0.01 0.00 2.79 0.00 0.00 35.95 39.23 2wc8 h PHE 14 CO 0.05 0.14 -0.54 0.45 -2.23 0.00 0.00 178.31 176.18 2wc8 h HIS 15 N 0.44 0.18 0.00 0.41 3.86 -0.89 0.70 115.15 119.86 2wc8 h HIS 15 Ca 0.29 -0.06 -0.02 0.00 -1.16 0.00 0.00 60.37 59.41 2wc8 h HIS 15 Cb 0.32 -0.04 -0.00 0.00 1.06 0.00 0.00 27.41 28.75 2wc8 h HIS 15 CO -0.15 0.66 -0.12 1.96 0.86 0.00 0.00 177.93 181.14 2wc8 h GLN 16 N 0.12 0.00 0.10 2.45 4.20 -0.90 -1.25 115.11 119.83 2wc8 h GLN 16 Ca -0.00 0.00 -0.27 0.00 0.06 0.00 0.00 58.65 58.44 2wc8 h GLN 16 Cb 0.99 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.76 2wc8 h GLN 16 CO 0.08 0.12 -1.37 1.88 -0.67 0.00 0.00 178.83 178.86 2wc8 h TYR 17 N 0.00 0.40 -0.54 2.96 0.05 -1.30 -3.41 116.97 115.13 2wc8 h TYR 17 Ca -0.00 -0.29 -0.10 0.00 0.05 0.00 0.00 58.73 58.38 2wc8 h TYR 17 Cb 0.24 -0.02 -0.02 0.00 1.01 0.00 0.00 36.73 37.95 2wc8 h TYR 17 CO 0.00 1.54 -0.07 0.66 -1.05 0.00 0.00 178.16 179.23 2wc8 h SER 18 N -0.36 0.98 0.16 3.88 4.64 -0.57 -3.00 113.55 119.28 2wc8 h SER 18 Ca -0.30 -0.30 0.00 0.00 -0.47 0.00 0.00 61.79 60.72 2wc8 h SER 18 Cb 1.71 -0.26 0.00 0.00 -0.31 0.00 0.00 62.40 63.54 2wc8 h SER 18 CO 0.04 1.07 0.00 1.62 -0.87 0.00 0.00 176.83 178.69 2wc8 h VAL 19 N 0.89 0.00 0.03 0.95 3.04 -0.96 -3.35 116.25 116.85 2wc8 h VAL 19 Ca 0.15 -0.07 -0.00 0.00 -1.01 0.00 0.00 66.70 65.76 2wc8 h VAL 19 Cb 0.62 0.90 0.00 0.00 -2.01 0.00 0.00 31.29 30.80 2wc8 h VAL 19 CO 0.04 0.00 -0.02 0.03 -1.01 0.00 0.00 177.57 176.61 2wc8 h ARG 20 N 0.00 -0.04 -4.73 4.17 3.08 -1.75 -3.46 114.38 111.65 2wc8 h ARG 20 Ca 0.00 0.00 -0.29 0.00 0.07 0.00 0.00 59.98 59.77 2wc8 h ARG 20 Cb 0.08 0.01 -0.15 0.00 0.08 0.00 0.00 29.97 29.99 2wc8 h ARG 20 CO 0.00 0.47 -0.63 -1.59 -1.07 0.00 0.00 179.97 177.15 2wc8 s LYS 21 N -4.04 1.24 6.72 0.04 -2.85 -1.26 -5.10 119.74 114.50 2wc8 s LYS 21 Ca -0.16 -1.65 0.00 0.00 -1.00 0.00 0.00 55.97 53.17 2wc8 s LYS 21 Cb 0.01 -0.04 0.00 0.00 -2.06 0.00 0.00 37.83 35.74 2wc8 s LYS 21 CO 0.65 -0.29 0.00 0.41 0.10 0.00 0.00 175.35 176.22 2wc8 n GLY 22 N -0.33 3.21 3.73 0.59 0.00 -1.26 -4.39 105.19 106.74 2wc8 n GLY 22 Ca -0.01 -0.27 -0.41 0.00 0.00 0.00 0.00 46.02 45.33 2wc8 n GLY 22 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 2wc8 s HIS 23 N 0.00 3.61 0.32 1.61 5.65 -1.26 -4.93 115.29 120.29 2wc8 s HIS 23 Ca 0.00 1.60 0.36 0.00 0.25 0.00 0.00 55.06 57.28 2wc8 s HIS 23 Cb 0.00 -3.25 1.93 0.00 -1.18 0.00 0.00 32.58 30.08 2wc8 s HIS 23 CO 0.00 -0.54 2.11 0.27 -0.65 0.00 0.00 174.74 175.93 2wc8 h PHE 24 N 5.38 0.00 -0.08 3.88 -5.15 -1.77 -2.90 116.94 116.30 2wc8 h PHE 24 Ca -0.44 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 57.33 2wc8 h PHE 24 Cb 1.21 0.00 0.00 0.00 0.22 0.00 0.00 35.95 37.38 2wc8 h PHE 24 CO 0.63 0.00 0.00 -3.47 -2.00 0.00 0.00 178.31 173.47 2wc8 n ASP 25 N -2.81 2.41 -4.27 -0.68 2.03 -1.26 -2.57 116.55 109.39 2wc8 n ASP 25 Ca -0.02 -2.39 -0.15 0.00 0.52 0.00 0.00 54.79 52.76 2wc8 n ASP 25 Cb 0.09 -0.20 -0.10 0.00 -0.72 0.00 0.00 41.12 40.18 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 -1.67 0.59 0.04 5.18 -4.23 -1.10 -4.33 115.64 110.12 2wc8 s THR 26 Ca 0.16 -1.99 0.02 0.00 -1.18 0.00 0.00 61.69 58.70 2wc8 s THR 26 Cb 0.13 -2.38 -0.03 0.00 1.34 0.00 0.00 72.50 71.56 2wc8 s THR 26 CO 0.04 -0.23 -0.06 -1.48 -0.54 0.00 0.00 174.62 172.34 2wc8 s LEU 27 N -3.24 2.29 0.88 4.79 2.34 -0.78 -4.45 118.68 120.51 2wc8 s LEU 27 Ca 0.31 -0.60 -0.11 0.00 0.06 0.00 0.00 54.13 53.79 2wc8 s LEU 27 Cb 0.07 -0.09 0.12 0.00 -0.56 0.00 0.00 46.19 45.73 2wc8 s LEU 27 CO 0.09 -0.26 1.09 -0.94 -1.06 0.00 0.00 176.35 175.27 2wc8 s SER 28 N -1.75 3.57 0.31 1.48 1.04 -1.26 -0.43 113.70 116.66 2wc8 s SER 28 Ca -0.09 1.59 0.00 0.00 0.48 0.00 0.00 55.95 57.94 2wc8 s SER 28 Cb -0.08 -2.26 0.51 0.00 0.10 0.00 0.00 66.02 64.29 2wc8 s SER 28 CO -0.01 -2.60 1.92 0.11 0.98 0.00 0.00 173.24 173.65 2wc8 h LYS 29 N -1.52 0.85 -0.17 4.02 1.57 -0.73 0.38 116.57 120.97 2wc8 h LYS 29 Ca -0.48 -0.10 0.04 0.00 -1.87 0.00 0.00 60.65 58.23 2wc8 h LYS 29 Cb 1.27 -0.16 -0.04 0.00 0.08 0.00 0.00 32.23 33.38 2wc8 h LYS 29 CO 0.53 0.65 -0.08 0.78 -0.57 0.00 0.00 179.45 180.77 2wc8 h GLY 30 N 0.93 0.07 1.22 3.86 0.00 -1.34 -1.69 103.07 106.12 2wc8 h GLY 30 Ca 0.21 0.10 -0.03 0.00 0.00 0.00 0.00 47.33 47.61 2wc8 h GLY 30 CO -0.03 -0.10 0.31 0.83 0.00 0.00 0.00 176.54 177.56 2wc8 h GLU 31 N -0.06 1.01 -0.86 4.80 5.08 -1.76 -2.35 114.58 120.44 2wc8 h GLU 31 Ca 0.09 -0.15 -0.02 0.00 -1.00 0.00 0.00 59.36 58.28 2wc8 h GLU 31 Cb 0.20 -0.18 -0.04 0.00 0.50 0.00 0.00 28.75 29.23 2wc8 h GLU 31 CO -0.21 0.80 0.47 1.25 -1.00 0.00 0.00 179.01 180.31 2wc8 h LEU 32 N 1.00 1.08 -1.09 1.33 5.85 -0.59 -1.02 115.31 121.86 2wc8 h LEU 32 Ca 0.24 -0.10 0.06 0.00 0.84 0.00 0.00 57.88 58.92 2wc8 h LEU 32 Cb 0.14 -0.27 -0.06 0.00 0.37 0.00 0.00 40.66 40.83 2wc8 h LEU 32 CO -0.03 0.87 0.62 0.11 -0.34 0.00 0.00 178.44 179.67 2wc8 h LYS 33 N 1.20 1.08 -0.57 1.25 1.57 -1.08 0.28 116.57 120.31 2wc8 h LYS 33 Ca 0.30 -0.07 -0.08 0.00 -1.87 0.00 0.00 60.65 58.94 2wc8 h LYS 33 Cb 0.04 -0.24 -0.02 0.00 0.08 0.00 0.00 32.23 32.08 2wc8 h LYS 33 CO -0.05 0.72 0.04 1.96 -0.57 0.00 0.00 179.45 181.55 2wc8 h GLN 34 N 1.11 0.97 -0.35 3.15 4.20 -0.88 -0.12 115.11 123.20 2wc8 h GLN 34 Ca 0.40 -0.29 -0.05 0.00 0.06 0.00 0.00 58.65 58.76 2wc8 h GLN 34 Cb 0.15 -0.10 -0.01 0.00 0.30 0.00 0.00 27.48 27.82 2wc8 h GLN 34 CO -0.15 0.96 0.00 1.25 -0.67 0.00 0.00 178.83 180.22 2wc8 h LEU 35 N 0.86 0.60 -0.37 1.46 6.46 -0.63 -1.60 115.31 122.09 2wc8 h LEU 35 Ca 0.16 -0.30 0.00 0.00 -0.12 0.00 0.00 57.88 57.62 2wc8 h LEU 35 Cb 0.49 -0.16 -0.02 0.00 -0.73 0.00 0.00 40.66 40.24 2wc8 h LEU 35 CO 0.02 0.76 0.24 0.25 -0.62 0.00 0.00 178.44 179.09 2wc8 h LEU 36 N 0.42 0.43 -0.50 2.25 5.85 -0.28 0.32 115.31 123.80 2wc8 h LEU 36 Ca 0.10 -0.03 -0.15 0.00 0.84 0.00 0.00 57.88 58.64 2wc8 h LEU 36 Cb 0.45 -0.11 -0.01 0.00 0.37 0.00 0.00 40.66 41.36 2wc8 h LEU 36 CO 0.02 0.33 -0.45 0.71 -0.34 0.00 0.00 178.44 178.71 2wc8 h THR 37 N 0.50 1.29 0.00 1.05 1.35 -0.95 -2.39 112.91 113.75 2wc8 h THR 37 Ca 0.14 -1.63 -0.10 0.00 -0.55 0.00 0.00 66.41 64.26 2wc8 h THR 37 Cb -0.04 1.55 -0.01 0.00 -1.73 0.00 0.00 68.15 67.92 2wc8 h THR 37 CO -0.03 0.53 -0.74 0.50 -0.25 0.00 0.00 175.52 175.53 2wc8 h LYS 38 N 0.58 0.00 0.00 4.72 3.64 -1.08 -3.27 116.57 121.17 2wc8 h LYS 38 Ca 0.04 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.41 2wc8 h LYS 38 Cb 1.00 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 32.82 2wc8 h LYS 38 CO 0.09 0.51 -0.04 0.93 -2.27 0.00 0.00 179.45 178.68 2wc8 h GLU 39 N -1.00 0.00 -0.12 1.90 4.39 -0.51 -3.21 114.58 116.03 2wc8 h GLU 39 Ca -0.15 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.54 2wc8 h GLU 39 Cb 0.84 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.48 2wc8 h GLU 39 CO -0.09 0.04 -0.03 1.28 -1.16 0.00 0.00 179.01 179.05 2wc8 n LEU 40 N -3.11 3.07 -0.04 1.33 4.77 -0.90 -4.75 117.00 117.37 2wc8 n LEU 40 Ca 0.03 -3.16 0.24 0.00 -0.03 0.00 0.00 56.01 53.09 2wc8 n LEU 40 Cb 0.51 -0.49 0.72 0.00 -2.33 0.00 0.00 43.42 41.83 2wc8 n LEU 40 CO 0.33 0.77 1.21 0.00 -1.33 0.00 0.00 177.39 178.38 2wc8 h ALA 41 N 0.81 2.51 -0.20 -1.18 0.00 -1.61 -0.94 119.26 118.65 2wc8 h ALA 41 Ca 0.01 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.90 2wc8 h ALA 41 Cb 1.21 0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.05 2wc8 h ALA 41 CO 0.11 -0.84 0.00 0.09 0.00 0.00 0.00 179.25 178.61 2wc8 n ASN 42 N -4.09 3.17 0.02 0.00 3.02 -1.26 -4.65 115.26 111.47 2wc8 n ASN 42 Ca 0.12 -1.97 -0.00 0.00 -0.03 0.00 0.00 54.58 52.70 2wc8 n ASN 42 Cb 0.76 -0.12 -0.00 0.00 -0.61 0.00 0.00 39.78 39.81 2wc8 n ASN 42 CO 0.00 0.00 0.00 0.41 -2.62 0.00 0.00 177.26 175.05 2wc8 n THR 43 N 1.38 0.55 -3.41 3.41 -1.04 -0.46 -4.95 114.28 109.75 2wc8 n THR 43 Ca 0.16 0.17 -0.44 0.00 -2.04 0.00 0.00 64.05 61.90 2wc8 n THR 43 Cb 0.59 -1.55 -0.08 0.00 -1.82 0.00 0.00 70.33 67.47 2wc8 n THR 43 CO 0.00 0.00 0.00 -0.63 -0.64 0.00 0.00 175.07 173.80 2wc8 s ILE 44 N -2.01 5.22 0.00 12.58 -1.09 -0.59 -4.80 121.20 130.51 2wc8 s ILE 44 Ca -0.00 -0.98 0.00 0.00 -2.23 0.00 0.00 60.65 57.44 2wc8 s ILE 44 Cb 0.00 -4.07 0.00 0.00 -1.58 0.00 0.00 42.46 36.81 2wc8 s ILE 44 CO 0.01 -0.52 0.00 0.29 -1.23 0.00 0.00 174.94 173.49 2wc8 n LYS 45 N 5.19 3.32 -4.36 2.79 5.02 -1.26 -4.72 118.16 124.13 2wc8 n LYS 45 Ca -0.12 0.00 -0.18 0.00 -2.02 0.00 0.00 58.31 55.99 2wc8 n LYS 45 Cb 0.44 -0.56 -0.10 0.00 -0.02 0.00 0.00 35.03 34.79 2wc8 n LYS 45 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 2wc8 s ASN 46 N -0.94 1.65 0.18 4.39 2.20 -1.26 -5.05 114.94 116.11 2wc8 s ASN 46 Ca 0.00 -1.36 -0.14 0.00 -0.94 0.00 0.00 52.86 50.42 2wc8 s ASN 46 Cb 0.00 0.06 0.17 0.00 -2.00 0.00 0.00 41.25 39.48 2wc8 s ASN 46 CO 0.00 -0.67 1.71 0.40 -2.94 0.00 0.00 177.10 175.60 2wc8 h ILE 47 N 2.30 0.70 -0.21 0.54 2.04 -1.99 -1.03 117.51 119.86 2wc8 h ILE 47 Ca -0.39 -0.06 0.00 0.00 1.00 0.00 0.00 64.86 65.41 2wc8 h ILE 47 Cb 1.24 0.50 -0.01 0.00 -0.74 0.00 0.00 36.82 37.81 2wc8 h ILE 47 CO 0.64 0.03 0.14 0.50 0.00 0.00 0.00 178.15 179.47 2wc8 h LYS 48 N 0.18 0.28 -0.21 2.37 3.64 -1.99 0.21 116.57 121.06 2wc8 h LYS 48 Ca 0.23 -0.02 -0.15 0.00 -1.27 0.00 0.00 60.65 59.44 2wc8 h LYS 48 Cb 0.32 -0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 32.07 2wc8 h LYS 48 CO -0.34 0.19 -0.51 -0.44 -2.27 0.00 0.00 179.45 176.09 2wc8 h ASP 49 N 0.29 0.64 -0.02 4.20 3.32 -1.91 -2.17 116.42 120.76 2wc8 h ASP 49 Ca 0.08 -0.32 -0.04 0.00 0.02 0.00 0.00 57.03 56.76 2wc8 h ASP 49 Cb -0.03 -0.18 -0.01 0.00 0.22 0.00 0.00 39.33 39.33 2wc8 h ASP 49 CO -0.02 1.03 -0.10 0.11 -1.72 0.00 0.00 179.24 178.55 2wc8 h LYS 50 N 0.45 0.26 -0.71 3.56 1.57 -0.86 -2.77 116.57 118.08 2wc8 h LYS 50 Ca 0.02 -0.05 -0.05 0.00 -1.87 0.00 0.00 60.65 58.69 2wc8 h LYS 50 Cb 1.05 -0.04 -0.03 0.00 0.08 0.00 0.00 32.23 33.29 2wc8 h LYS 50 CO 0.10 0.37 0.25 0.00 -0.57 0.00 0.00 179.45 179.60 2wc8 h ALA 51 N 1.66 0.92 -0.39 3.86 0.00 0.01 0.11 119.26 125.43 2wc8 h ALA 51 Ca 0.05 -0.20 -0.01 0.00 0.00 0.00 0.00 54.91 54.75 2wc8 h ALA 51 Cb 0.33 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.83 2wc8 h ALA 51 CO 0.02 0.57 0.20 0.28 0.00 0.00 0.00 179.25 180.33 2wc8 h VAL 52 N 1.03 1.16 -0.35 0.00 2.07 -1.22 -1.44 116.25 117.49 2wc8 h VAL 52 Ca 0.23 -0.43 -0.02 0.00 0.82 0.00 0.00 66.70 67.30 2wc8 h VAL 52 Cb 0.26 0.73 -0.02 0.00 -1.52 0.00 0.00 31.29 30.74 2wc8 h VAL 52 CO -0.01 0.17 0.13 0.40 0.02 0.00 0.00 177.57 178.27 2wc8 h ILE 53 N 0.50 1.20 -0.66 4.57 2.04 -1.21 -2.77 117.51 121.17 2wc8 h ILE 53 Ca 0.14 -0.62 0.06 0.00 1.00 0.00 0.00 64.86 65.44 2wc8 h ILE 53 Cb 0.08 0.94 -0.04 0.00 -0.74 0.00 0.00 36.82 37.06 2wc8 h ILE 53 CO -0.02 0.22 0.44 0.44 0.00 0.00 0.00 178.15 179.22 2wc8 h ASP 54 N 0.42 0.58 -0.34 1.72 3.32 -0.49 -1.62 116.42 120.01 2wc8 h ASP 54 Ca 0.12 0.00 -0.03 0.00 0.02 0.00 0.00 57.03 57.14 2wc8 h ASP 54 Cb 0.21 -0.12 -0.01 0.00 0.22 0.00 0.00 39.33 39.63 2wc8 h ASP 54 CO -0.01 0.38 0.10 -0.08 -1.72 0.00 0.00 179.24 177.91 2wc8 h GLU 55 N 0.66 0.52 -0.69 3.56 4.22 -1.01 1.52 114.58 123.37 2wc8 h GLU 55 Ca 0.29 -0.11 -0.06 0.00 0.08 0.00 0.00 59.36 59.55 2wc8 h GLU 55 Cb 0.28 -0.08 -0.03 0.00 0.50 0.00 0.00 28.75 29.42 2wc8 h GLU 55 CO -0.09 0.56 0.19 0.82 -2.18 0.00 0.00 179.01 178.30 2wc8 h ILE 56 N 0.39 1.26 -0.64 2.32 5.03 -1.16 -3.17 117.51 121.54 2wc8 h ILE 56 Ca 0.11 -0.94 0.00 0.00 -0.12 0.00 0.00 64.86 63.91 2wc8 h ILE 56 Cb 0.25 0.54 0.00 0.00 -3.03 0.00 0.00 36.82 34.58 2wc8 h ILE 56 CO -0.00 0.36 0.00 0.49 -0.68 0.00 0.00 178.15 178.32 2wc8 n PHE 57 N -4.27 1.62 -3.87 1.37 3.72 -0.66 -4.94 117.46 110.43 2wc8 n PHE 57 Ca 0.05 -0.62 -0.29 0.00 -0.05 0.00 0.00 57.45 56.54 2wc8 n PHE 57 Cb 0.25 -0.30 0.03 0.00 -0.94 0.00 0.00 39.48 38.51 2wc8 n PHE 57 CO 0.00 0.00 0.00 1.04 -0.05 0.00 0.00 176.76 177.75 2wc8 n GLN 58 N 1.05 -5.59 -1.26 -1.08 3.00 -0.35 -4.24 117.38 108.91 2wc8 n GLN 58 Ca 0.26 0.61 0.00 0.00 -0.01 0.00 0.00 57.00 57.87 2wc8 n GLN 58 Cb 0.96 -5.47 0.00 0.00 0.00 0.00 0.00 30.24 25.73 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 -1.70 -2.82 0.22 1.08 0.00 0.51 -4.70 105.19 97.78 2wc8 n GLY 59 Ca -0.00 -0.48 0.08 0.00 0.00 0.00 0.00 46.02 45.61 2wc8 n GLY 59 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 2wc8 h LEU 60 N 0.00 0.00 -0.40 0.99 5.85 -1.78 -2.05 115.31 117.93 2wc8 h LEU 60 Ca 0.00 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.72 2wc8 h LEU 60 Cb 0.00 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.03 2wc8 h LEU 60 CO 0.00 0.25 0.00 0.47 -0.34 0.00 0.00 178.44 178.82 2wc8 n ASP 61 N -3.77 0.65 -4.89 1.25 8.00 -1.26 -4.74 116.55 111.79 2wc8 n ASP 61 Ca -0.01 0.62 -0.33 0.00 0.71 0.00 0.00 54.79 55.77 2wc8 n ASP 61 Cb 0.35 -0.77 -0.05 0.00 -0.02 0.00 0.00 41.12 40.63 2wc8 n ASP 61 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2wc8 s ALA 62 N -3.21 3.81 -1.23 2.24 0.00 -0.77 -4.50 121.76 118.09 2wc8 s ALA 62 Ca 0.07 -0.53 -0.16 0.00 0.00 0.00 0.00 51.96 51.34 2wc8 s ALA 62 Cb 0.11 -2.13 -0.00 0.00 0.00 0.00 0.00 23.12 21.10 2wc8 s ALA 62 CO 0.46 0.64 0.67 0.09 0.00 0.00 0.00 175.76 177.62 2wc8 n ASN 63 N 0.70 -3.68 0.00 0.00 5.03 -1.26 -4.83 115.26 111.22 2wc8 n ASN 63 Ca -0.07 -1.04 0.08 0.00 0.87 0.00 0.00 54.58 54.41 2wc8 n ASN 63 Cb 0.52 -3.12 0.37 0.00 -1.02 0.00 0.00 39.78 36.54 2wc8 n ASN 63 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 2wc8 n GLN 64 N -4.34 0.09 0.23 3.52 6.02 -1.26 -1.13 117.38 120.51 2wc8 n GLN 64 Ca -0.16 0.19 0.13 0.00 -0.01 0.00 0.00 57.00 57.14 2wc8 n GLN 64 Cb 0.62 -1.50 0.32 0.00 1.02 0.00 0.00 30.24 30.70 2wc8 n GLN 64 CO 0.00 0.00 0.00 -0.44 -1.01 0.00 0.00 177.06 175.61 2wc8 h ASP 65 N 0.00 0.00 -3.34 1.08 3.45 -1.96 -0.23 116.42 115.42 2wc8 h ASP 65 Ca 0.00 0.00 -0.54 0.00 0.43 0.00 0.00 57.03 56.92 2wc8 h ASP 65 Cb 0.23 0.00 0.09 0.00 -0.56 0.00 0.00 39.33 39.09 2wc8 h ASP 65 CO 0.00 0.05 0.79 -0.62 -1.57 0.00 0.00 179.24 177.89 2wc8 n GLU 66 N -3.12 2.56 -3.08 3.56 1.02 -0.29 -4.67 120.64 116.64 2wc8 n GLU 66 Ca 0.03 0.91 -0.37 0.00 -0.02 0.00 0.00 57.16 57.70 2wc8 n GLU 66 Cb 0.48 -2.65 -0.06 0.00 -0.02 0.00 0.00 31.44 29.19 2wc8 n GLU 66 CO 0.00 0.00 0.00 -0.65 1.18 0.00 0.00 177.13 177.66 2wc8 s GLN 67 N -0.95 4.33 -0.11 3.49 -1.52 -1.26 -0.92 119.66 122.73 2wc8 s GLN 67 Ca 0.62 0.94 0.03 0.00 -1.95 0.00 0.00 55.36 54.99 2wc8 s GLN 67 Cb -0.52 -3.00 -0.00 0.00 -0.22 0.00 0.00 33.01 29.27 2wc8 s GLN 67 CO 0.53 0.46 -0.21 0.08 -0.25 0.00 0.00 175.29 175.90 2wc8 s VAL 68 N -1.40 2.37 0.60 1.09 1.01 0.43 -4.92 120.40 119.58 2wc8 s VAL 68 Ca 0.40 -0.91 0.07 0.00 0.00 0.00 0.00 61.98 61.55 2wc8 s VAL 68 Cb -0.19 -1.94 0.11 0.00 0.00 0.00 0.00 36.38 34.36 2wc8 s VAL 68 CO 0.22 0.55 0.83 -0.90 0.00 0.00 0.00 175.10 175.80 2wc8 n ASP 69 N 3.52 1.87 -0.22 3.32 5.68 -1.26 -1.86 116.55 127.59 2wc8 n ASP 69 Ca -0.19 -2.40 0.01 0.00 -0.50 0.00 0.00 54.79 51.72 2wc8 n ASP 69 Cb 0.53 -0.47 0.25 0.00 -1.14 0.00 0.00 41.12 40.30 2wc8 n ASP 69 CO 0.00 0.00 0.00 0.15 -1.33 0.00 0.00 177.20 176.02 2wc8 h PHE 70 N -0.08 0.94 -0.46 2.11 3.57 -2.00 -1.39 116.94 119.63 2wc8 h PHE 70 Ca -0.28 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.25 2wc8 h PHE 70 Cb 1.21 -0.32 -0.02 0.00 2.79 0.00 0.00 35.95 39.61 2wc8 h PHE 70 CO 0.00 0.58 0.30 0.37 -2.23 0.00 0.00 178.31 177.32 2wc8 h GLN 71 N 1.00 0.62 -0.45 1.11 5.75 -1.97 0.74 115.11 121.91 2wc8 h GLN 71 Ca 0.29 -0.04 -0.05 0.00 -0.15 0.00 0.00 58.65 58.69 2wc8 h GLN 71 Cb -0.06 -0.14 -0.02 0.00 1.07 0.00 0.00 27.48 28.34 2wc8 h GLN 71 CO -0.07 0.42 0.07 0.93 -2.65 0.00 0.00 178.83 177.53 2wc8 h GLU 72 N 0.62 0.75 -0.59 1.69 5.08 -1.85 -2.69 114.58 117.59 2wc8 h GLU 72 Ca 0.17 -0.20 0.10 0.00 -1.00 0.00 0.00 59.36 58.42 2wc8 h GLU 72 Cb -0.05 -0.09 -0.04 0.00 0.50 0.00 0.00 28.75 29.08 2wc8 h GLU 72 CO -0.03 0.77 0.39 0.35 -1.00 0.00 0.00 179.01 179.49 2wc8 h PHE 73 N 0.61 0.42 -0.79 4.33 3.04 -0.76 -1.09 116.94 122.71 2wc8 h PHE 73 Ca 0.14 0.01 0.05 0.00 3.98 0.00 0.00 57.97 62.15 2wc8 h PHE 73 Cb 0.39 -0.14 -0.05 0.00 2.56 0.00 0.00 35.95 38.72 2wc8 h PHE 73 CO 0.03 0.20 0.52 0.82 -2.02 0.00 0.00 178.31 177.86 2wc8 h ILE 74 N 0.40 1.07 -0.61 1.41 2.04 -0.52 -0.48 117.51 120.82 2wc8 h ILE 74 Ca 0.27 -0.31 -0.06 0.00 1.00 0.00 0.00 64.86 65.76 2wc8 h ILE 74 Cb 0.53 0.09 -0.03 0.00 -0.74 0.00 0.00 36.82 36.68 2wc8 h ILE 74 CO -0.07 0.16 0.14 0.28 0.00 0.00 0.00 178.15 178.66 2wc8 h SER 75 N 0.90 0.90 -0.24 1.72 0.02 -1.17 -0.13 113.55 115.54 2wc8 h SER 75 Ca 0.33 -0.18 -0.04 0.00 -0.84 0.00 0.00 61.79 61.06 2wc8 h SER 75 Cb 0.16 -0.24 -0.01 0.00 0.14 0.00 0.00 62.40 62.46 2wc8 h SER 75 CO -0.11 0.88 0.01 0.25 -1.14 0.00 0.00 176.83 176.72 2wc8 h LEU 76 N 0.91 0.40 -1.23 5.07 5.85 -1.12 -2.69 115.31 122.50 2wc8 h LEU 76 Ca 0.19 -0.30 0.05 0.00 0.84 0.00 0.00 57.88 58.67 2wc8 h LEU 76 Cb 0.34 -0.11 -0.05 0.00 0.37 0.00 0.00 40.66 41.21 2wc8 h LEU 76 CO 0.00 0.60 0.54 0.58 -0.34 0.00 0.00 178.44 179.83 2wc8 h VAL 77 N 0.19 1.08 -0.36 1.05 2.07 -0.68 -1.22 116.25 118.38 2wc8 h VAL 77 Ca 0.07 -0.33 -0.03 0.00 0.82 0.00 0.00 66.70 67.23 2wc8 h VAL 77 Cb 0.39 0.04 -0.02 0.00 -1.52 0.00 0.00 31.29 30.19 2wc8 h VAL 77 CO 0.01 0.17 0.12 0.00 0.02 0.00 0.00 177.57 177.89 2wc8 h ALA 78 N 1.54 0.47 -0.49 1.67 0.00 -0.94 0.13 119.26 121.63 2wc8 h ALA 78 Ca 0.35 -0.16 0.01 0.00 0.00 0.00 0.00 54.91 55.11 2wc8 h ALA 78 Cb 0.16 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 17.78 2wc8 h ALA 78 CO -0.12 0.11 0.31 0.82 0.00 0.00 0.00 179.25 180.37 2wc8 h ILE 79 N 0.43 1.10 -0.52 0.00 2.04 -1.13 -2.45 117.51 116.99 2wc8 h ILE 79 Ca 0.12 -0.22 -0.05 0.00 1.00 0.00 0.00 64.86 65.71 2wc8 h ILE 79 Cb 0.24 0.40 -0.02 0.00 -0.74 0.00 0.00 36.82 36.70 2wc8 h ILE 79 CO -0.00 0.12 0.12 0.00 0.00 0.00 0.00 178.15 178.38 2wc8 h ALA 80 N 1.20 1.23 -0.42 1.87 0.00 -0.90 -1.95 119.26 120.29 2wc8 h ALA 80 Ca 0.19 -0.20 -0.11 0.00 0.00 0.00 0.00 54.91 54.79 2wc8 h ALA 80 Cb -0.04 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.52 2wc8 h ALA 80 CO -0.06 0.53 -0.18 -0.07 0.00 0.00 0.00 179.25 179.47 2wc8 h LEU 81 N 0.77 0.82 -0.55 0.00 3.38 -0.80 0.11 115.31 119.04 2wc8 h LEU 81 Ca 0.17 -0.28 -0.05 0.00 0.09 0.00 0.00 57.88 57.81 2wc8 h LEU 81 Cb 0.30 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.80 2wc8 h LEU 81 CO -0.00 0.99 0.14 0.50 0.09 0.00 0.00 178.44 180.16 2wc8 h LYS 82 N 0.72 0.87 -0.29 1.13 3.64 -1.07 -0.88 116.57 120.70 2wc8 h LYS 82 Ca 0.11 -0.21 -0.07 0.00 -1.27 0.00 0.00 60.65 59.21 2wc8 h LYS 82 Cb 0.69 -0.12 -0.01 0.00 -0.41 0.00 0.00 32.23 32.39 2wc8 h LYS 82 CO 0.05 0.82 -0.11 0.00 -2.27 0.00 0.00 179.45 177.93 2wc8 h ALA 83 N 1.02 0.40 -0.96 5.00 0.00 -1.02 -0.83 119.26 122.86 2wc8 h ALA 83 Ca 0.17 -0.31 0.08 0.00 0.00 0.00 0.00 54.91 54.86 2wc8 h ALA 83 Cb 0.33 -0.10 -0.07 0.00 0.00 0.00 0.00 17.79 17.95 2wc8 h ALA 83 CO 0.00 0.26 0.61 0.00 0.00 0.00 0.00 179.25 180.12 2wc8 h ALA 84 N 0.76 1.37 -0.12 0.00 0.00 -0.66 -0.22 119.26 120.38 2wc8 h ALA 84 Ca 0.07 -0.00 -0.05 0.00 0.00 0.00 0.00 54.91 54.92 2wc8 h ALA 84 Cb 0.62 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 18.16 2wc8 h ALA 84 CO 0.04 0.32 -0.13 1.25 0.00 0.00 0.00 179.25 180.73 2wc8 h HIS 85 N 1.06 0.37 -0.81 0.00 6.17 -0.98 -2.99 115.15 117.96 2wc8 h HIS 85 Ca 0.44 -0.11 0.07 0.00 0.71 0.00 0.00 60.37 61.48 2wc8 h HIS 85 Cb 0.28 -0.08 -0.05 0.00 2.52 0.00 0.00 27.41 30.08 2wc8 h HIS 85 CO -0.01 0.72 0.53 -0.92 0.71 0.00 0.00 177.93 178.95 2wc8 h TYR 86 N -0.09 0.87 -0.71 5.26 3.20 -0.85 -1.83 116.97 122.82 2wc8 h TYR 86 Ca 0.02 0.02 0.00 0.00 3.14 0.00 0.00 58.73 61.91 2wc8 h TYR 86 Cb 0.66 -0.29 -0.04 0.00 1.54 0.00 0.00 36.73 38.61 2wc8 h TYR 86 CO 0.09 0.44 0.45 1.25 -1.64 0.00 0.00 178.16 178.75 2wc8 h HIS 87 N 0.85 0.91 0.00 -3.82 2.76 -0.90 -1.37 115.15 113.58 2wc8 h HIS 87 Ca 0.36 0.01 -0.02 0.00 -2.20 0.00 0.00 60.37 58.52 2wc8 h HIS 87 Cb 0.30 -0.31 -0.00 0.00 1.55 0.00 0.00 27.41 28.95 2wc8 h HIS 87 CO -0.00 0.59 -0.09 1.79 -1.30 0.00 0.00 177.93 178.92 2wc8 h THR 88 N 0.97 0.77 -0.72 6.26 1.35 -1.20 -1.27 112.91 119.08 2wc8 h THR 88 Ca 0.26 -0.36 0.00 0.00 -0.55 0.00 0.00 66.41 65.76 2wc8 h THR 88 Cb -0.07 1.21 0.00 0.00 -1.73 0.00 0.00 68.15 67.56 2wc8 h THR 88 CO -0.05 0.09 0.00 1.41 -0.25 0.00 0.00 175.52 176.72 2wc8 n HIS 89 N -4.00 1.17 -0.06 4.73 8.25 -0.53 -4.40 115.22 120.37 2wc8 n HIS 89 Ca -0.02 -0.54 -0.12 0.00 -0.26 0.00 0.00 57.72 56.78 2wc8 n HIS 89 Cb 0.18 -0.08 -0.05 0.00 1.12 0.00 0.00 29.99 31.15 2wc8 n HIS 89 CO 0.00 0.00 0.00 0.87 0.64 0.00 0.00 176.34 177.85 2wc8 h LYS 90 N 4.29 0.33 -0.01 -0.41 1.79 -1.06 -3.51 116.57 117.98 2wc8 h LYS 90 Ca 0.00 -0.10 0.00 0.00 -2.18 0.00 0.00 60.65 58.37 2wc8 h LYS 90 Cb 1.16 -0.03 0.00 0.00 -1.58 0.00 0.00 32.23 31.77 2wc8 h LYS 90 CO 0.08 0.53 0.00 -0.85 -1.08 0.00 0.00 179.45 178.13