#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1w09 s LEU 4 N 0.00 0.20 0.63 2.23 1.43 -1.26 -4.99 118.68 116.92 1w09 s LEU 4 Ca 0.00 -0.99 0.36 0.00 -1.03 0.00 0.00 54.13 52.46 1w09 s LEU 4 Cb 0.00 0.02 2.02 0.00 0.03 0.00 0.00 46.19 48.26 1w09 s LEU 4 CO 0.00 -0.41 2.24 0.11 0.23 0.00 0.00 176.35 178.52 1w09 h LYS 5 N 8.35 0.00 -0.26 1.70 6.56 -2.04 -1.82 116.57 129.06 1w09 h LYS 5 Ca -0.17 0.00 -0.02 0.00 -1.06 0.00 0.00 60.65 59.40 1w09 h LYS 5 Cb 1.05 0.00 -0.01 0.00 -0.57 0.00 0.00 32.23 32.70 1w09 h LYS 5 CO 0.38 0.00 0.10 0.00 -2.06 0.00 0.00 179.45 177.87 1w09 h ALA 6 N 1.89 0.33 0.28 3.86 0.00 -1.98 0.47 119.26 124.11 1w09 h ALA 6 Ca 0.02 -0.12 -0.01 0.00 0.00 0.00 0.00 54.91 54.79 1w09 h ALA 6 Cb 0.17 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.86 1w09 h ALA 6 CO -0.00 -0.06 -0.13 -0.91 0.00 0.00 0.00 179.25 178.14 1w09 h ASN 7 N 0.26 -0.31 0.04 0.00 4.21 -1.71 -1.42 115.58 116.64 1w09 h ASN 7 Ca 0.09 -0.10 -0.03 0.00 1.21 0.00 0.00 56.30 57.47 1w09 h ASN 7 Cb 0.19 0.08 -0.01 0.00 -1.12 0.00 0.00 38.32 37.47 1w09 h ASN 7 CO -0.01 -0.09 -0.08 0.50 -1.29 0.00 0.00 177.43 176.47 1w09 h LYS 8 N -0.54 0.11 -0.50 0.81 3.64 -1.50 -1.83 116.57 116.77 1w09 h LYS 8 Ca -0.04 -0.02 -0.12 0.00 -1.27 0.00 0.00 60.65 59.20 1w09 h LYS 8 Cb 0.40 -0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 32.18 1w09 h LYS 8 CO 0.06 0.20 -0.16 0.22 -2.27 0.00 0.00 179.45 177.50 1w09 h ASP 9 N 0.11 1.00 -0.39 4.20 3.58 0.21 0.19 116.42 125.32 1w09 h ASP 9 Ca 0.02 -0.38 -0.05 0.00 0.42 0.00 0.00 57.03 57.05 1w09 h ASP 9 Cb 0.21 -0.28 -0.02 0.00 1.72 0.00 0.00 39.33 40.97 1w09 h ASP 9 CO 0.01 1.15 0.06 0.25 -2.88 0.00 0.00 179.24 177.84 1w09 h LEU 10 N 0.85 0.62 0.41 2.28 5.85 -0.66 0.35 115.31 125.01 1w09 h LEU 10 Ca 0.12 -0.26 -0.02 0.00 0.84 0.00 0.00 57.88 58.56 1w09 h LEU 10 Cb 0.74 -0.16 0.00 0.00 0.37 0.00 0.00 40.66 41.61 1w09 h LEU 10 CO 0.06 0.72 -0.20 0.40 -0.34 0.00 0.00 178.44 179.08 1w09 h ILE 11 N 0.49 0.59 -0.99 4.05 2.04 -1.19 -1.63 117.51 120.86 1w09 h ILE 11 Ca 0.12 -0.17 0.10 0.00 1.00 0.00 0.00 64.86 65.91 1w09 h ILE 11 Cb 0.37 0.68 -0.08 0.00 -0.74 0.00 0.00 36.82 37.05 1w09 h ILE 11 CO 0.01 0.03 0.63 -1.28 0.00 0.00 0.00 178.15 177.54 1w09 h SER 12 N -0.65 0.95 -1.00 1.72 0.87 -0.54 0.26 113.55 115.16 1w09 h SER 12 Ca -0.06 0.03 0.05 0.00 -1.23 0.00 0.00 61.79 60.58 1w09 h SER 12 Cb 0.48 -0.16 -0.06 0.00 -0.44 0.00 0.00 62.40 62.22 1w09 h SER 12 CO 0.09 0.54 0.65 0.00 -0.53 0.00 0.00 176.83 177.59 1w09 h ALA 13 N 1.52 1.35 -0.03 6.23 0.00 0.09 0.54 119.26 128.96 1w09 h ALA 13 Ca 0.47 -0.04 -0.12 0.00 0.00 0.00 0.00 54.91 55.22 1w09 h ALA 13 Cb 0.38 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 1w09 h ALA 13 CO -0.23 0.51 -0.53 0.78 0.00 0.00 0.00 179.25 179.78 1w09 h GLY 14 N 1.23 0.09 0.67 0.00 0.00 -0.16 0.47 103.07 105.35 1w09 h GLY 14 Ca 0.41 -0.10 -0.03 0.00 0.00 0.00 0.00 47.33 47.61 1w09 h GLY 14 CO -0.14 0.09 -0.32 1.41 0.00 0.00 0.00 176.54 177.57 1w09 h LEU 15 N 0.06 -0.76 -1.18 3.11 -0.00 0.13 0.36 115.31 117.04 1w09 h LEU 15 Ca -0.00 0.03 -0.03 0.00 -0.00 0.00 0.00 57.88 57.88 1w09 h LEU 15 Cb 0.96 0.20 -0.03 0.00 -0.00 0.00 0.00 40.66 41.78 1w09 h LEU 15 CO 0.07 -0.44 0.25 0.11 -0.00 0.00 0.00 178.44 178.44 1w09 h LYS 16 N -1.11 0.82 0.05 1.13 1.57 -0.13 0.29 116.57 119.19 1w09 h LYS 16 Ca -0.09 -0.11 -0.00 0.00 -1.87 0.00 0.00 60.65 58.57 1w09 h LYS 16 Cb 0.69 -0.15 -0.00 0.00 0.08 0.00 0.00 32.23 32.84 1w09 h LYS 16 CO 0.15 0.66 -0.04 1.49 -0.57 0.00 0.00 179.45 181.14 1w09 h GLU 17 N 0.82 -0.09 0.03 3.15 4.57 -0.85 0.39 114.58 122.59 1w09 h GLU 17 Ca 0.20 0.01 -0.00 0.00 -1.18 0.00 0.00 59.36 58.38 1w09 h GLU 17 Cb 0.13 0.02 0.00 0.00 -0.16 0.00 0.00 28.75 28.74 1w09 h GLU 17 CO -0.02 -0.06 -0.02 0.35 -1.18 0.00 0.00 179.01 178.08 1w09 h PHE 18 N -0.09 -0.04 0.04 0.92 3.57 0.22 0.87 116.94 122.43 1w09 h PHE 18 Ca -0.00 -0.00 0.01 0.00 3.53 0.00 0.00 57.97 61.51 1w09 h PHE 18 Cb 0.08 0.01 -0.02 0.00 2.79 0.00 0.00 35.95 38.82 1w09 h PHE 18 CO -0.08 0.32 -0.10 1.03 -2.23 0.00 0.00 178.31 177.24 1w09 h SER 19 N -0.41 -0.29 -0.00 0.41 0.87 -0.38 0.35 113.55 114.09 1w09 h SER 19 Ca -0.00 0.04 -0.06 0.00 -1.23 0.00 0.00 61.79 60.54 1w09 h SER 19 Cb 0.38 0.12 -0.01 0.00 -0.44 0.00 0.00 62.40 62.44 1w09 h SER 19 CO 0.01 -0.15 -0.14 0.58 -0.53 0.00 0.00 176.83 176.60 1w09 h VAL 20 N -0.20 1.20 -0.13 2.23 2.07 -0.27 -1.75 116.25 119.39 1w09 h VAL 20 Ca 0.03 -0.86 -0.06 0.00 0.82 0.00 0.00 66.70 66.62 1w09 h VAL 20 Cb 0.23 1.21 -0.00 0.00 -1.52 0.00 0.00 31.29 31.21 1w09 h VAL 20 CO -0.08 0.27 -0.17 0.25 0.02 0.00 0.00 177.57 177.87 1w09 h LEU 21 N 0.28 0.38 -1.10 2.57 5.85 -0.18 0.30 115.31 123.41 1w09 h LEU 21 Ca 0.05 -0.51 -0.03 0.00 0.84 0.00 0.00 57.88 58.24 1w09 h LEU 21 Cb 0.41 -0.11 -0.03 0.00 0.37 0.00 0.00 40.66 41.31 1w09 h LEU 21 CO 0.02 0.81 0.31 -0.07 -0.34 0.00 0.00 178.44 179.17 1w09 h LEU 22 N -0.05 0.86 0.20 2.25 3.38 -0.08 1.92 115.31 123.79 1w09 h LEU 22 Ca 0.02 -0.09 -0.33 0.00 0.09 0.00 0.00 57.88 57.56 1w09 h LEU 22 Cb 0.72 -0.22 0.02 0.00 0.09 0.00 0.00 40.66 41.27 1w09 h LEU 22 CO 0.04 0.73 -1.57 -0.55 0.09 0.00 0.00 178.44 177.18 1w09 h ASN 23 N 0.94 0.66 -0.43 -0.43 -1.07 -1.31 -3.34 115.58 110.60 1w09 h ASN 23 Ca 0.23 -0.82 -0.05 0.00 0.07 0.00 0.00 56.30 55.74 1w09 h ASN 23 Cb 0.11 -0.21 -0.03 0.00 -2.07 0.00 0.00 38.32 36.12 1w09 h ASN 23 CO -0.03 1.67 0.04 1.67 0.07 0.00 0.00 177.43 180.84 1w09 n GLN 24 N -3.61 3.54 -0.39 4.14 7.27 0.11 -4.92 117.38 123.51 1w09 n GLN 24 Ca -0.19 -3.00 -0.01 0.00 0.07 0.00 0.00 57.00 53.87 1w09 n GLN 24 Cb 1.08 -2.02 -0.00 0.00 2.41 0.00 0.00 30.24 31.70 1w09 n GLN 24 CO 0.00 0.00 0.00 0.94 0.07 0.00 0.00 177.06 178.07 1w09 n GLN 25 N -0.18 0.00 -1.11 3.69 0.00 0.65 -4.44 117.38 115.99 1w09 n GLN 25 Ca 0.27 -0.17 0.00 0.00 -0.00 0.00 0.00 57.00 57.10 1w09 n GLN 25 Cb 1.07 -1.33 0.00 0.00 0.00 0.00 0.00 30.24 29.98 1w09 n GLN 25 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 177.06 178.61 1w09 n VAL 26 N 3.41 -0.29 -3.59 1.69 3.14 -1.26 -4.87 118.33 116.55 1w09 n VAL 26 Ca 0.01 0.00 -0.40 0.00 -2.96 0.00 0.00 64.34 60.99 1w09 n VAL 26 Cb 0.03 -0.89 -0.08 0.00 -1.06 0.00 0.00 33.84 31.84 1w09 n VAL 26 CO 0.00 0.00 0.00 -0.36 -6.46 0.00 0.00 176.83 170.01 1w09 s PHE 27 N 0.00 3.49 0.03 1.45 0.08 -1.26 -4.99 117.98 116.78 1w09 s PHE 27 Ca 0.00 -2.20 0.02 0.00 0.12 0.00 0.00 56.93 54.87 1w09 s PHE 27 Cb 0.00 -3.43 -0.02 0.00 -0.57 0.00 0.00 43.02 39.00 1w09 s PHE 27 CO 0.00 -0.95 -0.06 -0.80 -0.10 0.00 0.00 175.22 173.31 1w09 s ASN 28 N 1.93 0.68 -0.08 1.36 0.01 -1.26 -5.13 114.94 112.45 1w09 s ASN 28 Ca 0.11 -0.50 -0.12 0.00 -0.71 0.00 0.00 52.86 51.64 1w09 s ASN 28 Cb -0.22 0.04 -0.05 0.00 0.41 0.00 0.00 41.25 41.44 1w09 s ASN 28 CO -0.03 -0.20 0.30 1.51 -1.51 0.00 0.00 177.10 177.17 1w09 s ASP 29 N -1.42 6.58 0.78 -1.22 -4.77 -1.26 -3.07 116.67 112.29 1w09 s ASP 29 Ca -0.10 0.69 -0.13 0.00 -3.30 0.00 0.00 52.55 49.71 1w09 s ASP 29 Cb -0.09 -2.18 0.07 0.00 -1.09 0.00 0.00 42.92 39.62 1w09 s ASP 29 CO 0.00 0.27 1.16 -2.16 0.70 0.00 0.00 175.17 175.15 1w09 s PRO 30 N -0.56 1.92 0.02 2.11 0.04 -1.26 -5.16 135.00 132.10 1w09 s PRO 30 Ca 0.19 1.57 -0.01 0.00 0.04 0.00 0.00 61.00 62.79 1w09 s PRO 30 Cb -0.14 -1.83 -0.04 0.00 0.04 0.00 0.00 34.50 32.53 1w09 s PRO 30 CO 0.08 -1.96 0.14 -0.51 0.04 0.00 0.00 177.00 174.79 1w09 s LEU 31 N -5.64 4.16 0.44 -3.56 1.43 -1.17 -5.09 118.68 109.23 1w09 s LEU 31 Ca 0.69 0.23 -0.22 0.00 -1.03 0.00 0.00 54.13 53.80 1w09 s LEU 31 Cb -0.25 -2.56 -0.09 0.00 0.03 0.00 0.00 46.19 43.32 1w09 s LEU 31 CO 0.50 0.24 1.01 0.54 0.23 0.00 0.00 176.35 178.87 1w09 s VAL 32 N -1.33 3.96 0.82 -1.59 0.11 -1.26 -5.04 120.40 116.07 1w09 s VAL 32 Ca 0.28 1.32 -0.12 0.00 -2.93 0.00 0.00 61.98 60.52 1w09 s VAL 32 Cb -0.12 -3.59 0.09 0.00 -1.53 0.00 0.00 36.38 31.22 1w09 s VAL 32 CO 0.19 -0.17 1.17 -0.44 -3.33 0.00 0.00 175.10 172.52 1w09 s SER 33 N -1.90 4.40 0.24 3.54 0.01 -1.26 -4.86 113.70 113.86 1w09 s SER 33 Ca 0.62 0.83 -0.02 0.00 1.31 0.00 0.00 55.95 58.69 1w09 s SER 33 Cb -0.16 -1.35 0.26 0.00 0.21 0.00 0.00 66.02 64.98 1w09 s SER 33 CO 0.20 -1.98 1.66 -0.08 0.41 0.00 0.00 173.24 173.46 1w09 h GLU 34 N -1.11 0.69 -0.43 12.44 4.81 -1.96 0.39 114.58 129.41 1w09 h GLU 34 Ca -0.47 -0.27 -0.08 0.00 -0.13 0.00 0.00 59.36 58.42 1w09 h GLU 34 Cb 1.33 -0.04 -0.02 0.00 0.63 0.00 0.00 28.75 30.65 1w09 h GLU 34 CO 0.65 0.85 -0.05 1.05 -0.73 0.00 0.00 179.01 180.78 1w09 h GLU 35 N 0.60 0.73 -0.08 1.92 4.11 -1.99 0.33 114.58 120.20 1w09 h GLU 35 Ca 0.09 -0.21 -0.22 0.00 0.07 0.00 0.00 59.36 59.09 1w09 h GLU 35 Cb 0.70 -0.08 0.01 0.00 0.50 0.00 0.00 28.75 29.88 1w09 h GLU 35 CO 0.05 0.77 -0.83 -0.44 0.07 0.00 0.00 179.01 178.64 1w09 h ASP 36 N 0.67 0.72 -0.20 3.06 5.19 -1.88 -2.03 116.42 121.95 1w09 h ASP 36 Ca 0.13 -0.50 -0.02 0.00 -0.62 0.00 0.00 57.03 56.01 1w09 h ASP 36 Cb 0.49 -0.22 -0.01 0.00 0.18 0.00 0.00 39.33 39.78 1w09 h ASP 36 CO 0.03 1.28 0.06 -0.03 -3.12 0.00 0.00 179.24 177.46 1w09 h MET 37 N 0.38 0.32 -0.52 3.56 4.05 -0.50 -0.23 114.93 121.99 1w09 h MET 37 Ca -0.06 -0.07 0.04 0.00 -0.28 0.00 0.00 59.70 59.33 1w09 h MET 37 Cb 1.44 -0.04 -0.04 0.00 -0.80 0.00 0.00 31.60 32.16 1w09 h MET 37 CO 0.16 0.44 0.28 0.28 0.23 0.00 0.00 176.91 178.29 1w09 h VAL 38 N 0.15 0.98 -0.29 -5.77 2.07 -0.35 0.57 116.25 113.61 1w09 h VAL 38 Ca 0.06 -0.19 0.03 0.00 0.82 0.00 0.00 66.70 67.42 1w09 h VAL 38 Cb 0.25 0.39 -0.03 0.00 -1.52 0.00 0.00 31.29 30.39 1w09 h VAL 38 CO -0.00 0.10 0.12 0.74 0.02 0.00 0.00 177.57 178.55 1w09 h THR 39 N 0.54 0.95 -0.99 2.57 2.02 -1.13 -0.58 112.91 116.29 1w09 h THR 39 Ca 0.22 -0.09 0.06 0.00 0.77 0.00 0.00 66.41 67.37 1w09 h THR 39 Cb 0.11 0.67 -0.06 0.00 -1.74 0.00 0.00 68.15 67.12 1w09 h THR 39 CO -0.14 0.05 0.64 0.58 0.37 0.00 0.00 175.52 177.01 1w09 h VAL 40 N 0.26 1.11 -0.16 3.16 2.07 -0.19 -1.63 116.25 120.87 1w09 h VAL 40 Ca 0.13 -0.40 -0.01 0.00 0.82 0.00 0.00 66.70 67.23 1w09 h VAL 40 Cb 0.08 -0.18 -0.01 0.00 -1.52 0.00 0.00 31.29 29.66 1w09 h VAL 40 CO -0.11 0.22 0.07 0.58 0.02 0.00 0.00 177.57 178.34 1w09 h VAL 41 N 1.18 1.15 -0.59 2.57 2.07 -0.11 0.41 116.25 122.94 1w09 h VAL 41 Ca 0.42 -0.44 0.08 0.00 0.82 0.00 0.00 66.70 67.58 1w09 h VAL 41 Cb 0.12 1.15 -0.06 0.00 -1.52 0.00 0.00 31.29 30.98 1w09 h VAL 41 CO -0.16 0.14 0.24 -0.08 0.02 0.00 0.00 177.57 177.73 1w09 h GLU 42 N 0.11 0.43 -0.15 1.57 4.81 -0.55 0.30 114.58 121.10 1w09 h GLU 42 Ca 0.05 -0.03 -0.18 0.00 -0.13 0.00 0.00 59.36 59.08 1w09 h GLU 42 Cb 0.16 -0.10 -0.00 0.00 0.63 0.00 0.00 28.75 29.44 1w09 h GLU 42 CO -0.00 0.29 -0.63 0.22 -0.73 0.00 0.00 179.01 178.15 1w09 h ASP 43 N 0.45 0.62 -0.34 1.04 3.58 -1.12 -1.87 116.42 118.78 1w09 h ASP 43 Ca 0.29 -0.36 -0.03 0.00 0.42 0.00 0.00 57.03 57.34 1w09 h ASP 43 Cb 0.31 -0.18 -0.01 0.00 1.72 0.00 0.00 39.33 41.17 1w09 h ASP 43 CO -0.27 1.10 0.09 -0.50 -2.88 0.00 0.00 179.24 176.78 1w09 h TRP 44 N 0.40 0.57 -0.17 0.28 6.55 0.80 0.27 115.95 124.64 1w09 h TRP 44 Ca -0.01 -0.07 -0.16 0.00 0.95 0.00 0.00 58.89 59.60 1w09 h TRP 44 Cb 1.19 -0.16 -0.01 0.00 -0.86 0.00 0.00 29.16 29.33 1w09 h TRP 44 CO 0.05 0.57 -0.57 0.00 -1.05 0.00 0.00 178.44 177.44 1w09 h MET 45 N 0.39 0.54 -0.23 0.49 -0.00 -0.47 -1.40 114.93 114.26 1w09 h MET 45 Ca 0.11 -0.35 -0.18 0.00 -0.00 0.00 0.00 59.70 59.27 1w09 h MET 45 Cb 0.29 0.05 0.00 0.00 -0.00 0.00 0.00 31.60 31.94 1w09 h MET 45 CO 0.00 0.96 -0.57 -0.91 -0.00 0.00 0.00 176.91 176.39 1w09 h ASN 46 N 0.41 0.90 -0.35 -0.10 2.35 -1.24 -1.76 115.58 115.80 1w09 h ASN 46 Ca 0.00 -0.56 -0.01 0.00 -0.55 0.00 0.00 56.30 55.18 1w09 h ASN 46 Cb 1.12 -0.26 -0.02 0.00 0.05 0.00 0.00 38.32 39.21 1w09 h ASN 46 CO 0.11 1.30 0.19 0.15 -1.65 0.00 0.00 177.43 177.53 1w09 h PHE 47 N 0.54 0.48 -0.23 1.19 3.57 -0.43 -2.06 116.94 120.00 1w09 h PHE 47 Ca -0.01 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.49 1w09 h PHE 47 Cb 1.18 -0.15 -0.01 0.00 2.79 0.00 0.00 35.95 39.76 1w09 h PHE 47 CO 0.08 0.37 0.15 1.88 -2.23 0.00 0.00 178.31 178.56 1w09 h TYR 48 N 0.44 0.30 0.10 0.41 0.05 -1.23 0.48 116.97 117.51 1w09 h TYR 48 Ca 0.12 0.00 0.02 0.00 0.05 0.00 0.00 58.73 58.93 1w09 h TYR 48 Cb 0.05 -0.10 -0.04 0.00 1.01 0.00 0.00 36.73 37.65 1w09 h TYR 48 CO -0.03 0.20 -0.31 0.82 -1.05 0.00 0.00 178.16 177.79 1w09 h ILE 49 N 0.30 0.33 -0.13 -2.88 1.08 -1.09 0.54 117.51 115.66 1w09 h ILE 49 Ca 0.08 0.00 -0.12 0.00 -0.39 0.00 0.00 64.86 64.43 1w09 h ILE 49 Cb -0.02 0.33 -0.01 0.00 -3.07 0.00 0.00 36.82 34.05 1w09 h ILE 49 CO -0.02 0.00 -0.46 -1.13 -0.69 0.00 0.00 178.15 175.86 1w09 h ASN 50 N -0.52 0.34 -0.44 1.72 -1.24 -1.30 -2.15 115.58 111.99 1w09 h ASN 50 Ca 0.04 -0.16 -0.12 0.00 0.71 0.00 0.00 56.30 56.77 1w09 h ASN 50 Cb 0.56 -0.10 -0.01 0.00 0.73 0.00 0.00 38.32 39.50 1w09 h ASN 50 CO -0.20 0.75 -0.19 0.22 -1.29 0.00 0.00 177.43 176.72 1w09 h TYR 51 N 0.26 1.05 -0.01 0.67 3.20 0.44 -3.17 116.97 119.41 1w09 h TYR 51 Ca 0.02 -0.25 -0.23 0.00 3.14 0.00 0.00 58.73 61.40 1w09 h TYR 51 Cb 0.91 -0.24 0.01 0.00 1.54 0.00 0.00 36.73 38.94 1w09 h TYR 51 CO 0.02 1.05 -0.94 1.88 -1.64 0.00 0.00 178.16 178.53 1w09 h TYR 52 N 0.75 0.69 -0.01 -3.82 0.05 0.11 -2.78 116.97 111.96 1w09 h TYR 52 Ca 0.10 -0.37 0.00 0.00 0.05 0.00 0.00 58.73 58.51 1w09 h TYR 52 Cb 0.76 -0.08 -0.00 0.00 1.01 0.00 0.00 36.73 38.42 1w09 h TYR 52 CO 0.05 1.19 0.01 0.07 -1.05 0.00 0.00 178.16 178.43 1w09 h ARG 53 N 0.27 0.00 0.00 4.88 0.11 -1.41 -1.61 114.38 116.63 1w09 h ARG 53 Ca -0.08 0.00 -0.11 0.00 0.10 0.00 0.00 59.98 59.88 1w09 h ARG 53 Cb 1.58 0.00 -0.02 0.00 1.11 0.00 0.00 29.97 32.64 1w09 h ARG 53 CO 0.17 0.00 -1.48 0.94 0.10 0.00 0.00 179.97 179.70 1w09 n GLN 54 N -3.75 0.63 -0.94 0.08 7.27 -1.18 -4.21 117.38 115.28 1w09 n GLN 54 Ca -0.03 0.11 -0.20 0.00 0.07 0.00 0.00 57.00 56.95 1w09 n GLN 54 Cb 0.09 -1.74 0.09 0.00 2.41 0.00 0.00 30.24 31.09 1w09 n GLN 54 CO 0.00 0.00 0.00 1.04 0.07 0.00 0.00 177.06 178.17 1w09 n GLN 55 N -2.72 1.98 -4.18 3.69 6.02 -0.61 -4.93 117.38 116.64 1w09 n GLN 55 Ca -0.08 -2.14 -0.24 0.00 -0.01 0.00 0.00 57.00 54.53 1w09 n GLN 55 Cb 0.75 -1.84 -0.07 0.00 1.02 0.00 0.00 30.24 30.09 1w09 n GLN 55 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.06 176.13 1w09 s VAL 56 N -2.70 2.93 0.24 5.09 1.01 -1.22 -4.98 120.40 120.77 1w09 s VAL 56 Ca 0.41 -1.79 0.01 0.00 0.00 0.00 0.00 61.98 60.62 1w09 s VAL 56 Cb 0.34 -2.92 -0.04 0.00 0.00 0.00 0.00 36.38 33.76 1w09 s VAL 56 CO 0.04 -0.20 0.15 -0.89 0.00 0.00 0.00 175.10 174.20 1w09 s THR 57 N -2.45 0.14 0.00 3.92 2.01 -1.26 -5.11 115.64 112.89 1w09 s THR 57 Ca 0.36 -2.00 0.00 0.00 0.31 0.00 0.00 61.69 60.36 1w09 s THR 57 Cb -0.02 -2.53 0.00 0.00 0.01 0.00 0.00 72.50 69.97 1w09 s THR 57 CO 0.22 0.00 0.00 0.61 -0.69 0.00 0.00 174.62 174.76 1w09 n GLY 58 N -0.39 -1.72 3.71 4.40 0.00 -1.26 -4.81 105.19 105.12 1w09 n GLY 58 Ca 0.02 -1.40 -0.31 0.00 0.00 0.00 0.00 46.02 44.33 1w09 n GLY 58 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1w09 s GLU 59 N 0.00 1.44 0.43 1.61 2.02 -1.26 -4.93 118.70 118.02 1w09 s GLU 59 Ca 0.00 1.34 0.20 0.00 0.02 0.00 0.00 54.97 56.53 1w09 s GLU 59 Cb 0.00 -1.79 0.99 0.00 0.10 0.00 0.00 34.13 33.43 1w09 s GLU 59 CO 0.00 -2.27 1.90 -1.00 0.02 0.00 0.00 175.26 173.91 1w09 h PRO 60 N -1.60 0.00 -0.90 0.39 0.13 -2.01 -3.09 132.00 124.92 1w09 h PRO 60 Ca -0.44 0.00 0.09 0.00 -0.87 0.00 0.00 66.00 64.78 1w09 h PRO 60 Cb 1.26 0.00 -0.07 0.00 0.13 0.00 0.00 31.00 32.31 1w09 h PRO 60 CO 0.46 0.27 0.54 0.37 -0.23 0.00 0.00 178.00 179.41 1w09 h GLN 61 N 0.00 0.89 -0.27 0.86 4.15 -1.98 -1.82 115.11 116.95 1w09 h GLN 61 Ca -0.00 -0.05 -0.02 0.00 0.77 0.00 0.00 58.65 59.35 1w09 h GLN 61 Cb 0.59 -0.20 -0.01 0.00 0.21 0.00 0.00 27.48 28.06 1w09 h GLN 61 CO 0.03 0.59 0.10 0.93 -1.93 0.00 0.00 178.83 178.56 1w09 h GLU 62 N 0.92 0.40 -0.06 1.69 5.08 -1.90 -2.09 114.58 118.62 1w09 h GLU 62 Ca 0.42 -0.08 0.03 0.00 -1.00 0.00 0.00 59.36 58.74 1w09 h GLU 62 Cb 0.34 -0.06 -0.03 0.00 0.50 0.00 0.00 28.75 29.49 1w09 h GLU 62 CO -0.23 0.44 -0.12 0.00 -1.00 0.00 0.00 179.01 178.09 1w09 h ARG 63 N 0.28 -0.17 -0.88 2.33 -0.00 -1.50 -1.96 114.38 112.47 1w09 h ARG 63 Ca 0.09 0.01 0.09 0.00 -0.50 0.00 0.00 59.98 59.67 1w09 h ARG 63 Cb 0.19 0.04 -0.07 0.00 0.00 0.00 0.00 29.97 30.13 1w09 h ARG 63 CO -0.01 -0.12 0.53 0.38 0.00 0.00 0.00 179.97 180.76 1w09 h ASP 64 N -0.18 0.79 -0.03 7.04 3.04 -1.25 -1.54 116.42 124.28 1w09 h ASP 64 Ca 0.07 0.04 0.00 0.00 -3.24 0.00 0.00 57.03 53.89 1w09 h ASP 64 Cb 0.27 -0.12 -0.00 0.00 -1.04 0.00 0.00 39.33 38.44 1w09 h ASP 64 CO -0.17 0.46 0.02 0.11 -2.04 0.00 0.00 179.24 177.62 1w09 h LYS 65 N 0.90 0.04 -0.79 4.15 1.57 -0.73 -0.70 116.57 121.01 1w09 h LYS 65 Ca 0.42 -0.00 0.07 0.00 -1.87 0.00 0.00 60.65 59.27 1w09 h LYS 65 Cb 0.34 -0.01 -0.05 0.00 0.08 0.00 0.00 32.23 32.59 1w09 h LYS 65 CO -0.23 0.05 0.51 0.00 -0.57 0.00 0.00 179.45 179.21 1w09 h ALA 66 N 0.99 1.67 -0.11 3.86 0.00 -0.81 0.19 119.26 125.04 1w09 h ALA 66 Ca 0.01 -0.02 -0.13 0.00 0.00 0.00 0.00 54.91 54.77 1w09 h ALA 66 Cb 0.02 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.59 1w09 h ALA 66 CO -0.00 0.20 -0.50 -0.07 0.00 0.00 0.00 179.25 178.88 1w09 h LEU 67 N 0.82 0.33 -0.02 0.00 4.07 -0.82 -0.86 115.31 118.82 1w09 h LEU 67 Ca 0.34 -0.16 -0.03 0.00 0.08 0.00 0.00 57.88 58.11 1w09 h LEU 67 Cb 0.29 -0.09 0.00 0.00 1.08 0.00 0.00 40.66 41.94 1w09 h LEU 67 CO -0.12 0.78 -0.12 1.56 -1.08 0.00 0.00 178.44 179.46 1w09 h GLN 68 N 0.24 0.12 -0.28 1.13 4.20 0.38 -1.96 115.11 118.94 1w09 h GLN 68 Ca 0.01 -0.10 -0.03 0.00 0.06 0.00 0.00 58.65 58.60 1w09 h GLN 68 Cb 0.97 0.02 -0.01 0.00 0.30 0.00 0.00 27.48 28.76 1w09 h GLN 68 CO 0.08 0.76 0.06 0.93 -0.67 0.00 0.00 178.83 179.99 1w09 h GLU 69 N -0.50 0.40 -0.07 1.46 5.08 -0.70 -1.73 114.58 118.51 1w09 h GLU 69 Ca -0.01 -0.06 -0.03 0.00 -1.00 0.00 0.00 59.36 58.27 1w09 h GLU 69 Cb 0.79 -0.07 -0.00 0.00 0.50 0.00 0.00 28.75 29.96 1w09 h GLU 69 CO 0.02 0.38 -0.06 1.25 -1.00 0.00 0.00 179.01 179.60 1w09 h LEU 70 N 0.39 0.18 -0.94 1.33 5.85 -1.15 0.35 115.31 121.31 1w09 h LEU 70 Ca 0.09 -0.47 0.10 0.00 0.84 0.00 0.00 57.88 58.45 1w09 h LEU 70 Cb 0.17 -0.05 -0.08 0.00 0.37 0.00 0.00 40.66 41.07 1w09 h LEU 70 CO -0.00 0.60 0.58 -0.09 -0.34 0.00 0.00 178.44 179.19 1w09 h ARG 71 N -0.25 0.93 -0.04 1.25 2.43 -0.95 0.62 114.38 118.37 1w09 h ARG 71 Ca 0.01 -0.06 -0.08 0.00 -0.81 0.00 0.00 59.98 59.04 1w09 h ARG 71 Cb 0.55 -0.21 0.00 0.00 -0.42 0.00 0.00 29.97 29.90 1w09 h ARG 71 CO 0.02 0.61 -0.30 0.37 -1.51 0.00 0.00 179.97 179.16 1w09 h GLN 72 N 0.96 0.28 -0.40 0.20 5.75 -1.25 -1.99 115.11 118.66 1w09 h GLN 72 Ca 0.45 -0.25 -0.00 0.00 -0.15 0.00 0.00 58.65 58.70 1w09 h GLN 72 Cb 0.39 0.06 -0.02 0.00 1.07 0.00 0.00 27.48 28.98 1w09 h GLN 72 CO -0.24 0.91 0.23 0.93 -2.65 0.00 0.00 178.83 178.00 1w09 h GLU 73 N -0.26 0.54 -0.13 1.69 4.39 0.31 -1.01 114.58 120.11 1w09 h GLU 73 Ca -0.03 -0.04 -0.04 0.00 0.34 0.00 0.00 59.36 59.59 1w09 h GLU 73 Cb 0.98 -0.12 -0.00 0.00 -0.10 0.00 0.00 28.75 29.51 1w09 h GLU 73 CO 0.06 0.39 -0.09 -0.07 -1.16 0.00 0.00 179.01 178.14 1w09 h LEU 74 N 0.55 0.31 -1.28 1.33 -0.00 0.22 0.21 115.31 116.64 1w09 h LEU 74 Ca 0.14 -0.44 0.15 0.00 -0.00 0.00 0.00 57.88 57.74 1w09 h LEU 74 Cb -0.00 -0.09 -0.07 0.00 -0.00 0.00 0.00 40.66 40.50 1w09 h LEU 74 CO -0.03 0.68 0.58 0.78 -0.00 0.00 0.00 178.44 180.45 1w09 h ASN 75 N -0.06 0.65 0.00 -0.43 2.35 -0.52 0.38 115.58 117.95 1w09 h ASN 75 Ca 0.03 0.04 -0.02 0.00 -0.55 0.00 0.00 56.30 55.80 1w09 h ASN 75 Cb 0.57 -0.08 -0.00 0.00 0.05 0.00 0.00 38.32 38.86 1w09 h ASN 75 CO 0.02 0.32 -0.14 0.74 -1.65 0.00 0.00 177.43 176.72 1w09 h THR 76 N 0.68 1.57 -0.95 2.81 2.02 -1.09 -3.32 112.91 114.63 1w09 h THR 76 Ca 0.46 -2.23 0.01 0.00 0.77 0.00 0.00 66.41 65.41 1w09 h THR 76 Cb 0.76 3.02 -0.05 0.00 -1.74 0.00 0.00 68.15 70.15 1w09 h THR 76 CO -0.22 0.53 0.62 -0.07 0.37 0.00 0.00 175.52 176.76 1w09 h LEU 77 N -1.00 1.10 -0.23 2.58 3.38 -0.18 -3.18 115.31 117.78 1w09 h LEU 77 Ca -0.04 -0.04 -0.02 0.00 0.09 0.00 0.00 57.88 57.88 1w09 h LEU 77 Cb 0.96 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 41.43 1w09 h LEU 77 CO -0.02 0.81 0.06 0.00 0.09 0.00 0.00 178.44 179.38 1w09 h ALA 78 N 1.39 0.30 -0.42 1.53 0.00 -0.41 -3.07 119.26 118.57 1w09 h ALA 78 Ca 0.35 -0.15 0.09 0.00 0.00 0.00 0.00 54.91 55.20 1w09 h ALA 78 Cb -0.13 -0.09 -0.08 0.00 0.00 0.00 0.00 17.79 17.49 1w09 h ALA 78 CO -0.07 -0.07 -0.13 -0.97 0.00 0.00 0.00 179.25 178.01 1w09 h ASN 79 N 0.19 -0.48 0.78 0.00 -1.24 -1.65 -1.33 115.58 111.86 1w09 h ASN 79 Ca 0.07 0.14 -0.04 0.00 0.71 0.00 0.00 56.30 57.18 1w09 h ASN 79 Cb 0.25 0.30 -0.01 0.00 0.73 0.00 0.00 38.32 39.59 1w09 h ASN 79 CO -0.00 -0.17 -0.20 1.55 -1.29 0.00 0.00 177.43 177.32 1w09 h PRO 80 N -0.04 0.00 0.22 6.67 0.13 -1.67 -3.19 132.00 134.13 1w09 h PRO 80 Ca 0.21 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.33 1w09 h PRO 80 Cb 0.35 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.48 1w09 h PRO 80 CO -0.46 0.20 -0.10 0.35 -0.23 0.00 0.00 178.00 177.76 1w09 h PHE 81 N 0.00 -0.27 -0.36 1.56 3.57 -1.15 -1.92 116.94 118.37 1w09 h PHE 81 Ca -0.00 -0.01 0.10 0.00 3.53 0.00 0.00 57.97 61.60 1w09 h PHE 81 Cb 0.65 0.09 -0.01 0.00 2.79 0.00 0.00 35.95 39.46 1w09 h PHE 81 CO 0.00 0.09 0.27 -0.07 -2.23 0.00 0.00 178.31 176.37 1w09 h LEU 82 N -0.68 0.00 -0.08 0.59 3.38 -1.46 -0.96 115.31 116.10 1w09 h LEU 82 Ca -0.03 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 57.89 1w09 h LEU 82 Cb 0.48 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.23 1w09 h LEU 82 CO 0.05 0.00 -0.13 0.00 0.09 0.00 0.00 178.44 178.45 1w09 h ALA 83 N 1.79 0.12 -0.94 1.53 0.00 -1.51 -0.70 119.26 119.56 1w09 h ALA 83 Ca 0.17 -0.34 0.07 0.00 0.00 0.00 0.00 54.91 54.82 1w09 h ALA 83 Cb 0.72 -0.02 -0.06 0.00 0.00 0.00 0.00 17.79 18.42 1w09 h ALA 83 CO -0.00 0.00 0.61 0.87 0.00 0.00 0.00 179.25 180.73 1w09 h LYS 84 N -0.25 1.02 -0.05 0.00 1.79 -0.39 -0.54 116.57 118.15 1w09 h LYS 84 Ca 0.00 -0.06 -0.18 0.00 -2.18 0.00 0.00 60.65 58.23 1w09 h LYS 84 Cb 0.70 -0.23 -0.01 0.00 -1.58 0.00 0.00 32.23 31.11 1w09 h LYS 84 CO 0.03 0.67 -0.74 -0.92 -1.08 0.00 0.00 179.45 177.41 1w09 h TYR 85 N 1.05 0.42 -0.66 -1.35 3.20 -1.28 -0.68 116.97 117.67 1w09 h TYR 85 Ca 0.41 -0.19 -0.02 0.00 3.14 0.00 0.00 58.73 62.07 1w09 h TYR 85 Cb 0.24 -0.06 -0.03 0.00 1.54 0.00 0.00 36.73 38.42 1w09 h TYR 85 CO -0.00 0.94 0.33 0.00 -1.64 0.00 0.00 178.16 177.79 1w09 h ARG 86 N 0.20 0.94 -0.05 1.82 2.47 0.20 0.50 114.38 120.46 1w09 h ARG 86 Ca -0.03 -0.13 -0.15 0.00 -1.26 0.00 0.00 59.98 58.40 1w09 h ARG 86 Cb 1.32 -0.17 -0.01 0.00 -1.65 0.00 0.00 29.97 29.45 1w09 h ARG 86 CO 0.12 0.74 -0.66 -0.44 0.56 0.00 0.00 179.97 180.29 1w09 h ASP 87 N 0.90 0.23 0.76 7.04 5.19 -1.09 -1.77 116.42 127.68 1w09 h ASP 87 Ca 0.23 -0.14 -0.12 0.00 -0.62 0.00 0.00 57.03 56.37 1w09 h ASP 87 Cb 0.10 -0.07 -0.02 0.00 0.18 0.00 0.00 39.33 39.52 1w09 h ASP 87 CO -0.03 0.83 -0.59 0.15 -3.12 0.00 0.00 179.24 176.48 1w09 h PHE 88 N 0.14 0.00 0.02 4.55 3.57 -0.47 0.83 116.94 125.58 1w09 h PHE 88 Ca -0.01 0.00 -0.15 0.00 3.53 0.00 0.00 57.97 61.34 1w09 h PHE 88 Cb 1.19 0.00 0.01 0.00 2.79 0.00 0.00 35.95 39.94 1w09 h PHE 88 CO 0.02 0.59 -0.58 -0.07 -2.23 0.00 0.00 178.31 176.04 1w09 h LEU 89 N 0.00 0.47 -0.85 0.59 3.38 0.12 0.23 115.31 119.25 1w09 h LEU 89 Ca -0.01 -0.80 -0.11 0.00 0.09 0.00 0.00 57.88 57.05 1w09 h LEU 89 Cb 1.13 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 41.72 1w09 h LEU 89 CO 0.08 1.21 -0.35 0.50 0.09 0.00 0.00 178.44 179.97 1w09 h LYS 90 N -0.21 0.44 -0.07 1.13 1.63 -1.29 -3.11 116.57 115.09 1w09 h LYS 90 Ca -0.08 -0.20 0.00 0.00 -0.85 0.00 0.00 60.65 59.52 1w09 h LYS 90 Cb 1.32 -0.01 0.00 0.00 -0.60 0.00 0.00 32.23 32.94 1w09 h LYS 90 CO 0.11 0.73 0.00 -1.13 -3.45 0.00 0.00 179.45 175.72 1w09 n SER 91 N -4.06 2.92 -4.56 4.20 3.41 0.28 -4.98 113.62 110.83 1w09 n SER 91 Ca -0.01 -1.94 -0.52 0.00 -0.26 0.00 0.00 58.87 56.15 1w09 n SER 91 Cb 0.47 -0.03 -0.06 0.00 -0.26 0.00 0.00 64.21 64.32 1w09 n SER 91 CO 0.00 0.00 0.00 1.57 -0.16 0.00 0.00 175.04 176.45 1w09 n HIS 92 N 1.27 1.88 -0.88 7.33 -0.00 0.79 -4.88 115.22 120.74 1w09 n HIS 92 Ca 0.14 0.26 -0.34 0.00 -0.00 0.00 0.00 57.72 57.78 1w09 n HIS 92 Cb 0.56 -2.55 0.11 0.00 -0.00 0.00 0.00 29.99 28.11 1w09 n HIS 92 CO 0.00 0.00 0.00 -1.91 -0.00 0.00 0.00 176.34 174.43 1w09 n GLU 93 N 7.24 -0.18 0.00 1.57 4.07 -1.26 -5.04 120.64 127.03 1w09 n GLU 93 Ca 0.33 -0.01 0.00 0.00 -0.06 0.00 0.00 57.16 57.42 1w09 n GLU 93 Cb 0.23 -1.77 0.00 0.00 -0.06 0.00 0.00 31.44 29.83 1w09 n GLU 93 CO 0.00 0.00 0.00 1.47 -0.06 0.00 0.00 177.13 178.54