#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 1.59 0.66 2.23 1.02 -1.26 -5.02 118.68 117.90 1w09 s LEU 4 Ca 0.00 0.09 0.44 0.00 0.02 0.00 0.00 54.13 54.68 1w09 s LEU 4 Cb 0.00 0.46 2.40 0.00 0.02 0.00 0.00 46.19 49.07 1w09 s LEU 4 CO 0.00 -0.14 2.35 0.50 0.02 0.00 0.00 176.35 179.09 1w09 h LYS 5 N 5.47 0.00 -0.52 1.70 1.63 -2.05 -2.27 116.57 120.54 1w09 h LYS 5 Ca -0.27 0.00 0.04 0.00 -0.85 0.00 0.00 60.65 59.57 1w09 h LYS 5 Cb 1.20 0.00 -0.04 0.00 -0.60 0.00 0.00 32.23 32.79 1w09 h LYS 5 CO 0.42 0.00 0.27 0.00 -3.45 0.00 0.00 179.45 176.70 1w09 h ALA 6 N 2.00 0.66 0.46 5.00 0.00 -1.98 0.56 119.26 125.96 1w09 h ALA 6 Ca 0.00 0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.90 1w09 h ALA 6 Cb 0.00 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.71 1w09 h ALA 6 CO 0.00 -0.06 -0.22 -0.91 0.00 0.00 0.00 179.25 178.06 1w09 h ASN 7 N 0.54 -0.52 -0.10 0.00 4.21 -1.82 -1.51 115.58 116.37 1w09 h ASN 7 Ca 0.22 -0.07 0.03 0.00 1.21 0.00 0.00 56.30 57.69 1w09 h ASN 7 Cb 0.11 0.13 -0.00 0.00 -1.12 0.00 0.00 38.32 37.44 1w09 h ASN 7 CO -0.14 -0.22 0.09 0.50 -1.29 0.00 0.00 177.43 176.36 1w09 h LYS 8 N -0.82 0.00 -0.27 0.81 3.11 -1.57 -1.03 116.57 116.81 1w09 h LYS 8 Ca -0.06 0.00 -0.16 0.00 -2.81 0.00 0.00 60.65 57.61 1w09 h LYS 8 Cb 0.56 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 31.79 1w09 h LYS 8 CO 0.10 0.00 -0.48 0.22 -2.81 0.00 0.00 179.45 176.49 1w09 h ASP 9 N 0.00 0.88 -0.35 4.20 1.82 0.41 -0.28 116.42 123.10 1w09 h ASP 9 Ca 0.05 -0.53 -0.01 0.00 -0.39 0.00 0.00 57.03 56.15 1w09 h ASP 9 Cb 0.22 -0.25 -0.02 0.00 0.68 0.00 0.00 39.33 39.96 1w09 h ASP 9 CO -0.00 1.24 0.17 0.25 -1.61 0.00 0.00 179.24 179.30 1w09 h LEU 10 N 0.55 0.44 0.34 2.28 5.85 -0.16 0.31 115.31 124.92 1w09 h LEU 10 Ca 0.02 -0.11 -0.02 0.00 0.84 0.00 0.00 57.88 58.61 1w09 h LEU 10 Cb 1.08 -0.11 0.00 0.00 0.37 0.00 0.00 40.66 42.00 1w09 h LEU 10 CO 0.11 0.43 -0.16 -0.29 -0.34 0.00 0.00 178.44 178.19 1w09 h ILE 11 N 0.42 0.69 -0.60 4.05 -0.00 -1.33 -1.50 117.51 119.24 1w09 h ILE 11 Ca 0.12 -0.27 0.11 0.00 -0.00 0.00 0.00 64.86 64.82 1w09 h ILE 11 Cb 0.10 0.83 -0.04 0.00 -0.00 0.00 0.00 36.82 37.72 1w09 h ILE 11 CO -0.02 0.06 0.41 0.28 -0.00 0.00 0.00 178.15 178.87 1w09 h SER 12 N -0.60 0.30 -0.53 2.19 0.02 -0.92 0.28 113.55 114.30 1w09 h SER 12 Ca -0.05 0.01 -0.08 0.00 -0.84 0.00 0.00 61.79 60.83 1w09 h SER 12 Cb 0.44 -0.05 -0.02 0.00 0.14 0.00 0.00 62.40 62.90 1w09 h SER 12 CO 0.08 0.18 0.02 0.00 -1.14 0.00 0.00 176.83 175.96 1w09 h ALA 13 N 1.70 0.71 -0.30 3.77 0.00 0.08 0.47 119.26 125.68 1w09 h ALA 13 Ca 0.28 -0.28 -0.12 0.00 0.00 0.00 0.00 54.91 54.79 1w09 h ALA 13 Cb 0.66 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.25 1w09 h ALA 13 CO -0.07 0.51 -0.27 0.78 0.00 0.00 0.00 179.25 180.20 1w09 h GLY 14 N 0.79 0.79 0.47 0.00 0.00 -0.07 -0.02 103.07 105.03 1w09 h GLY 14 Ca 0.15 -0.79 -0.01 0.00 0.00 0.00 0.00 47.33 46.68 1w09 h GLY 14 CO 0.02 0.71 -0.50 1.41 0.00 0.00 0.00 176.54 178.19 1w09 h LEU 15 N 0.48 -1.38 -2.05 3.11 3.38 -0.24 0.35 115.31 118.95 1w09 h LEU 15 Ca 0.05 0.12 0.01 0.00 0.09 0.00 0.00 57.88 58.15 1w09 h LEU 15 Cb 0.84 0.47 -0.00 0.00 0.09 0.00 0.00 40.66 42.06 1w09 h LEU 15 CO 0.07 -0.64 0.03 0.07 0.09 0.00 0.00 178.44 178.06 1w09 h LYS 16 N -0.95 0.00 -0.20 1.13 5.09 -0.06 0.35 116.57 121.94 1w09 h LYS 16 Ca -0.05 0.00 -0.06 0.00 0.09 0.00 0.00 60.65 60.63 1w09 h LYS 16 Cb 0.84 0.00 -0.00 0.00 0.10 0.00 0.00 32.23 33.17 1w09 h LYS 16 CO -0.10 0.00 -0.10 1.49 -2.09 0.00 0.00 179.45 178.65 1w09 h GLU 17 N 0.00 0.42 -0.02 0.07 4.81 0.26 -0.90 114.58 119.23 1w09 h GLU 17 Ca 0.02 -0.19 -0.04 0.00 -0.13 0.00 0.00 59.36 59.03 1w09 h GLU 17 Cb 0.08 -0.01 0.00 0.00 0.63 0.00 0.00 28.75 29.45 1w09 h GLU 17 CO -0.00 0.71 -0.14 0.35 -0.73 0.00 0.00 179.01 179.21 1w09 h PHE 18 N 0.11 0.17 -0.24 0.92 3.57 0.48 0.28 116.94 122.23 1w09 h PHE 18 Ca 0.04 -0.08 0.04 0.00 3.53 0.00 0.00 57.97 61.51 1w09 h PHE 18 Cb 0.59 -0.02 -0.04 0.00 2.79 0.00 0.00 35.95 39.27 1w09 h PHE 18 CO 0.07 0.81 -0.04 0.66 -2.23 0.00 0.00 178.31 177.58 1w09 h SER 19 N -0.53 -0.17 0.13 0.41 4.64 -0.41 0.14 113.55 117.77 1w09 h SER 19 Ca -0.01 0.06 -0.10 0.00 -0.47 0.00 0.00 61.79 61.27 1w09 h SER 19 Cb 0.84 0.13 -0.01 0.00 -0.31 0.00 0.00 62.40 63.04 1w09 h SER 19 CO 0.03 -0.06 -0.35 0.58 -0.87 0.00 0.00 176.83 176.16 1w09 h VAL 20 N 0.03 1.29 -0.32 0.95 2.07 -1.24 -1.55 116.25 117.48 1w09 h VAL 20 Ca 0.11 -1.41 -0.02 0.00 0.82 0.00 0.00 66.70 66.20 1w09 h VAL 20 Cb 0.16 1.56 -0.01 0.00 -1.52 0.00 0.00 31.29 31.48 1w09 h VAL 20 CO -0.22 0.43 0.11 0.25 0.02 0.00 0.00 177.57 178.15 1w09 h LEU 21 N 0.27 0.45 -0.70 2.57 5.85 0.19 1.38 115.31 125.33 1w09 h LEU 21 Ca 0.03 -0.19 -0.12 0.00 0.84 0.00 0.00 57.88 58.44 1w09 h LEU 21 Cb 0.75 -0.12 -0.01 0.00 0.37 0.00 0.00 40.66 41.65 1w09 h LEU 21 CO 0.06 0.52 -0.31 -0.07 -0.34 0.00 0.00 178.44 178.30 1w09 h LEU 22 N 0.36 0.68 0.00 2.25 3.38 -0.64 -0.03 115.31 121.31 1w09 h LEU 22 Ca 0.10 -0.27 0.00 0.00 0.09 0.00 0.00 57.88 57.80 1w09 h LEU 22 Cb 0.23 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 40.79 1w09 h LEU 22 CO -0.01 0.95 -0.22 0.78 0.09 0.00 0.00 178.44 180.03 1w09 h ASN 23 N 0.56 0.00 -0.30 -0.43 2.35 -1.04 -3.27 115.58 113.45 1w09 h ASN 23 Ca 0.07 -0.03 0.00 0.00 -0.55 0.00 0.00 56.30 55.79 1w09 h ASN 23 Cb 0.81 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.18 1w09 h ASN 23 CO 0.07 0.02 0.00 0.00 -1.65 0.00 0.00 177.43 175.86 1w09 n GLN 24 N -2.63 2.89 -0.82 0.81 6.02 0.47 -5.03 117.38 119.10 1w09 n GLN 24 Ca 0.04 -2.38 -0.34 0.00 -0.01 0.00 0.00 57.00 54.32 1w09 n GLN 24 Cb 0.49 -1.51 0.11 0.00 1.02 0.00 0.00 30.24 30.35 1w09 n GLN 24 CO 0.00 0.00 0.00 0.94 -1.01 0.00 0.00 177.06 176.99 1w09 n GLN 25 N 0.05 -0.52 -4.39 -1.09 0.00 -0.05 -4.94 117.38 106.45 1w09 n GLN 25 Ca 0.15 -0.12 -0.34 0.00 -0.00 0.00 0.00 57.00 56.69 1w09 n GLN 25 Cb 0.62 -1.62 -0.12 0.00 0.00 0.00 0.00 30.24 29.12 1w09 n GLN 25 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.06 177.14 1w09 s VAL 26 N -2.27 3.99 -0.21 1.69 1.01 -1.26 -5.08 120.40 118.27 1w09 s VAL 26 Ca 0.52 -0.33 -0.07 0.00 0.00 0.00 0.00 61.98 62.11 1w09 s VAL 26 Cb -0.17 -2.74 -0.03 0.00 0.00 0.00 0.00 36.38 33.44 1w09 s VAL 26 CO 0.70 0.51 0.05 -0.36 0.00 0.00 0.00 175.10 176.00 1w09 s PHE 27 N 0.14 3.13 -0.05 5.22 0.40 -1.26 -4.96 117.98 120.60 1w09 s PHE 27 Ca -0.01 -0.23 -0.14 0.00 -0.60 0.00 0.00 56.93 55.95 1w09 s PHE 27 Cb -0.13 -2.15 0.03 0.00 0.51 0.00 0.00 43.02 41.27 1w09 s PHE 27 CO 0.03 -0.14 0.32 -0.80 0.70 0.00 0.00 175.22 175.32 1w09 s ASN 28 N 1.03 -0.24 -0.22 1.36 -0.87 -1.26 -5.11 114.94 109.63 1w09 s ASN 28 Ca 0.04 0.25 -0.01 0.00 -1.57 0.00 0.00 52.86 51.57 1w09 s ASN 28 Cb -0.14 0.42 0.02 0.00 -0.02 0.00 0.00 41.25 41.53 1w09 s ASN 28 CO 0.03 -0.36 -0.11 -1.81 -2.57 0.00 0.00 177.10 172.28 1w09 s ASP 29 N -0.91 3.90 1.04 -1.22 1.11 -1.26 -1.15 116.67 118.18 1w09 s ASP 29 Ca -0.10 -0.75 -0.12 0.00 0.18 0.00 0.00 52.55 51.76 1w09 s ASP 29 Cb -0.04 -1.60 0.21 0.00 1.07 0.00 0.00 42.92 42.56 1w09 s ASP 29 CO 0.03 -0.07 1.08 -2.16 1.18 0.00 0.00 175.17 175.23 1w09 s PRO 30 N 1.32 0.09 0.30 8.23 0.04 -1.26 -5.19 135.00 138.53 1w09 s PRO 30 Ca 0.02 1.05 0.05 0.00 0.04 0.00 0.00 61.00 62.16 1w09 s PRO 30 Cb -0.15 -1.66 -0.06 0.00 0.04 0.00 0.00 34.50 32.67 1w09 s PRO 30 CO -0.07 -3.10 -0.01 -0.48 0.04 0.00 0.00 177.00 173.38 1w09 s LEU 31 N -6.83 2.38 0.39 -3.56 2.34 -0.30 -5.12 118.68 107.98 1w09 s LEU 31 Ca 0.67 -1.27 -0.26 0.00 0.06 0.00 0.00 54.13 53.33 1w09 s LEU 31 Cb -0.23 -0.53 -0.09 0.00 -0.56 0.00 0.00 46.19 44.78 1w09 s LEU 31 CO 0.61 -0.46 1.18 0.54 -1.06 0.00 0.00 176.35 177.16 1w09 s VAL 32 N -3.13 3.14 0.85 1.48 0.11 -1.26 -5.03 120.40 116.56 1w09 s VAL 32 Ca 0.32 0.97 -0.13 0.00 -2.93 0.00 0.00 61.98 60.21 1w09 s VAL 32 Cb 0.06 -3.55 0.11 0.00 -1.53 0.00 0.00 36.38 31.47 1w09 s VAL 32 CO 0.13 0.10 1.22 -0.55 -3.33 0.00 0.00 175.10 172.67 1w09 s SER 33 N -1.08 4.12 0.16 3.54 0.15 -1.26 -4.85 113.70 114.48 1w09 s SER 33 Ca 0.56 0.64 -0.13 0.00 0.70 0.00 0.00 55.95 57.72 1w09 s SER 33 Cb -0.31 -1.01 0.05 0.00 -1.71 0.00 0.00 66.02 63.04 1w09 s SER 33 CO 0.39 -2.14 1.75 -0.33 1.20 0.00 0.00 173.24 174.12 1w09 h GLU 34 N -1.22 0.77 -0.39 5.44 5.08 -1.95 -0.11 114.58 122.20 1w09 h GLU 34 Ca -0.46 -0.11 -0.04 0.00 -1.00 0.00 0.00 59.36 57.75 1w09 h GLU 34 Cb 1.30 -0.14 -0.02 0.00 0.50 0.00 0.00 28.75 30.40 1w09 h GLU 34 CO 0.58 0.63 0.07 1.05 -1.00 0.00 0.00 179.01 180.35 1w09 h GLU 35 N 0.72 0.58 -0.08 2.33 -0.00 -1.99 0.31 114.58 116.45 1w09 h GLU 35 Ca 0.18 -0.11 -0.21 0.00 -0.00 0.00 0.00 59.36 59.23 1w09 h GLU 35 Cb 0.12 -0.09 0.00 0.00 -0.00 0.00 0.00 28.75 28.77 1w09 h GLU 35 CO -0.02 0.55 -0.80 -0.44 -0.00 0.00 0.00 179.01 178.30 1w09 h ASP 36 N 0.57 0.66 -0.12 3.06 5.19 -1.86 -2.08 116.42 121.84 1w09 h ASP 36 Ca 0.13 -0.45 -0.02 0.00 -0.62 0.00 0.00 57.03 56.06 1w09 h ASP 36 Cb 0.25 -0.20 -0.00 0.00 0.18 0.00 0.00 39.33 39.56 1w09 h ASP 36 CO 0.00 1.22 -0.01 -0.03 -3.12 0.00 0.00 179.24 177.30 1w09 h MET 37 N 0.36 0.22 -0.55 3.56 4.05 -0.38 -1.69 114.93 120.50 1w09 h MET 37 Ca -0.05 -0.08 0.07 0.00 -0.28 0.00 0.00 59.70 59.36 1w09 h MET 37 Cb 1.40 -0.02 -0.06 0.00 -0.80 0.00 0.00 31.60 32.13 1w09 h MET 37 CO 0.15 0.49 0.24 0.28 0.23 0.00 0.00 176.91 178.30 1w09 h VAL 38 N -0.08 0.87 -0.46 -5.77 2.07 -0.41 -0.10 116.25 112.38 1w09 h VAL 38 Ca 0.03 -0.16 0.03 0.00 0.82 0.00 0.00 66.70 67.43 1w09 h VAL 38 Cb 0.40 0.38 -0.04 0.00 -1.52 0.00 0.00 31.29 30.52 1w09 h VAL 38 CO 0.01 0.08 0.25 0.74 0.02 0.00 0.00 177.57 178.67 1w09 h THR 39 N 0.45 1.00 -0.87 2.57 2.02 -1.27 0.23 112.91 117.04 1w09 h THR 39 Ca 0.26 -0.17 0.05 0.00 0.77 0.00 0.00 66.41 67.32 1w09 h THR 39 Cb 0.24 0.46 -0.06 0.00 -1.74 0.00 0.00 68.15 67.05 1w09 h THR 39 CO -0.22 0.09 0.55 0.58 0.37 0.00 0.00 175.52 176.89 1w09 h VAL 40 N 0.49 1.08 -0.11 3.16 2.07 -0.29 -0.36 116.25 122.30 1w09 h VAL 40 Ca 0.19 -0.35 -0.05 0.00 0.82 0.00 0.00 66.70 67.31 1w09 h VAL 40 Cb 0.07 -0.04 -0.00 0.00 -1.52 0.00 0.00 31.29 29.80 1w09 h VAL 40 CO -0.12 0.19 -0.14 0.58 0.02 0.00 0.00 177.57 178.10 1w09 h VAL 41 N 1.03 1.37 -0.36 2.57 2.07 -0.32 -0.60 116.25 122.01 1w09 h VAL 41 Ca 0.37 -1.35 0.04 0.00 0.82 0.00 0.00 66.70 66.58 1w09 h VAL 41 Cb 0.11 2.02 -0.04 0.00 -1.52 0.00 0.00 31.29 31.86 1w09 h VAL 41 CO -0.15 0.39 0.14 -0.33 0.02 0.00 0.00 177.57 177.63 1w09 h GLU 42 N -0.14 0.28 -0.22 1.57 5.08 -0.26 0.20 114.58 121.09 1w09 h GLU 42 Ca 0.01 -0.02 -0.12 0.00 -1.00 0.00 0.00 59.36 58.23 1w09 h GLU 42 Cb 0.69 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.86 1w09 h GLU 42 CO 0.03 0.19 -0.37 0.38 -1.00 0.00 0.00 179.01 178.24 1w09 h ASP 43 N 0.29 0.52 -0.61 1.42 3.04 -1.11 -2.00 116.42 117.96 1w09 h ASP 43 Ca 0.16 -0.22 -0.00 0.00 -3.24 0.00 0.00 57.03 53.74 1w09 h ASP 43 Cb 0.13 -0.14 -0.03 0.00 -1.04 0.00 0.00 39.33 38.25 1w09 h ASP 43 CO -0.16 0.84 0.38 -0.50 -2.04 0.00 0.00 179.24 177.76 1w09 h TRP 44 N 0.42 0.80 -0.20 4.15 6.55 -0.25 0.22 115.95 127.64 1w09 h TRP 44 Ca 0.04 0.00 -0.06 0.00 0.95 0.00 0.00 58.89 59.82 1w09 h TRP 44 Cb 0.84 -0.27 -0.01 0.00 -0.86 0.00 0.00 29.16 28.87 1w09 h TRP 44 CO 0.03 0.54 -0.11 0.52 -1.05 0.00 0.00 178.44 178.37 1w09 h MET 45 N 0.83 0.43 -0.05 0.49 2.86 -0.41 -1.89 114.93 117.19 1w09 h MET 45 Ca 0.22 -0.19 -0.14 0.00 -2.06 0.00 0.00 59.70 57.53 1w09 h MET 45 Cb -0.03 -0.01 -0.01 0.00 0.06 0.00 0.00 31.60 31.60 1w09 h MET 45 CO -0.04 0.72 -0.58 -2.95 1.06 0.00 0.00 176.91 175.12 1w09 h ASN 46 N 0.12 0.20 -0.26 1.22 7.08 -1.27 -1.78 115.58 120.89 1w09 h ASN 46 Ca 0.04 -0.11 -0.01 0.00 -3.08 0.00 0.00 56.30 53.15 1w09 h ASN 46 Cb 0.60 -0.06 -0.01 0.00 -2.08 0.00 0.00 38.32 36.77 1w09 h ASN 46 CO 0.03 0.73 0.14 0.15 -2.08 0.00 0.00 177.43 176.40 1w09 h PHE 47 N 0.13 0.37 -0.47 4.14 3.57 -0.50 -1.01 116.94 123.17 1w09 h PHE 47 Ca -0.00 -0.01 -0.07 0.00 3.53 0.00 0.00 57.97 61.42 1w09 h PHE 47 Cb 1.06 -0.12 -0.02 0.00 2.79 0.00 0.00 35.95 39.67 1w09 h PHE 47 CO 0.02 0.33 0.03 1.88 -2.23 0.00 0.00 178.31 178.33 1w09 h TYR 48 N 0.30 0.87 0.22 0.41 0.05 -1.23 0.40 116.97 117.99 1w09 h TYR 48 Ca 0.09 -0.14 0.01 0.00 0.05 0.00 0.00 58.73 58.74 1w09 h TYR 48 Cb 0.09 -0.23 -0.03 0.00 1.01 0.00 0.00 36.73 37.57 1w09 h TYR 48 CO -0.03 0.83 -0.30 0.82 -1.05 0.00 0.00 178.16 178.43 1w09 h ILE 49 N 0.66 0.36 -0.20 -2.88 1.08 -1.08 0.40 117.51 115.85 1w09 h ILE 49 Ca 0.14 0.00 -0.20 0.00 -0.39 0.00 0.00 64.86 64.41 1w09 h ILE 49 Cb 0.47 0.36 0.00 0.00 -3.07 0.00 0.00 36.82 34.57 1w09 h ILE 49 CO 0.02 0.00 -0.66 0.78 -0.69 0.00 0.00 178.15 177.60 1w09 h ASN 50 N -0.58 0.84 -0.35 1.72 2.35 -1.18 -1.27 115.58 117.11 1w09 h ASN 50 Ca 0.01 -0.50 -0.00 0.00 -0.55 0.00 0.00 56.30 55.26 1w09 h ASN 50 Cb 0.57 -0.25 -0.02 0.00 0.05 0.00 0.00 38.32 38.68 1w09 h ASN 50 CO -0.12 1.28 0.22 0.22 -1.65 0.00 0.00 177.43 177.38 1w09 h TYR 51 N 0.53 0.46 0.00 1.19 3.20 -0.00 -2.77 116.97 119.58 1w09 h TYR 51 Ca -0.02 0.00 -0.16 0.00 3.14 0.00 0.00 58.73 61.69 1w09 h TYR 51 Cb 1.26 -0.15 -0.02 0.00 1.54 0.00 0.00 36.73 39.35 1w09 h TYR 51 CO 0.07 0.32 -0.76 1.88 -1.64 0.00 0.00 178.16 178.03 1w09 h TYR 52 N 0.46 0.00 0.00 -3.82 0.05 -0.24 -2.75 116.97 110.67 1w09 h TYR 52 Ca 0.13 0.00 -0.02 0.00 0.05 0.00 0.00 58.73 58.89 1w09 h TYR 52 Cb -0.01 0.00 -0.00 0.00 1.01 0.00 0.00 36.73 37.73 1w09 h TYR 52 CO -0.04 0.76 -0.07 -0.09 -1.05 0.00 0.00 178.16 177.67 1w09 h ARG 53 N 0.00 0.00 0.00 4.88 2.43 -0.96 -2.40 114.38 118.33 1w09 h ARG 53 Ca -0.01 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.16 1w09 h ARG 53 Cb 1.37 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.92 1w09 h ARG 53 CO 0.10 0.07 -1.37 0.94 -1.51 0.00 0.00 179.97 178.20 1w09 n GLN 54 N -4.15 0.39 -1.75 0.20 7.27 -1.07 -4.46 117.38 113.81 1w09 n GLN 54 Ca -0.03 -0.06 -0.33 0.00 0.07 0.00 0.00 57.00 56.66 1w09 n GLN 54 Cb 0.16 -1.57 0.05 0.00 2.41 0.00 0.00 30.24 31.29 1w09 n GLN 54 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 1w09 n GLN 55 N -2.03 3.01 -4.38 3.69 10.64 -0.90 -4.99 117.38 122.42 1w09 n GLN 55 Ca 0.00 -3.68 -0.25 0.00 -1.83 0.00 0.00 57.00 51.23 1w09 n GLN 55 Cb 0.47 -2.28 -0.10 0.00 -0.86 0.00 0.00 30.24 27.48 1w09 n GLN 55 CO 0.00 0.00 0.00 0.08 -1.83 0.00 0.00 177.06 175.31 1w09 s VAL 56 N -4.91 2.82 0.31 -0.39 1.01 -1.23 -4.97 120.40 113.05 1w09 s VAL 56 Ca 0.57 -2.01 0.03 0.00 0.00 0.00 0.00 61.98 60.57 1w09 s VAL 56 Cb 0.46 -2.43 -0.05 0.00 0.00 0.00 0.00 36.38 34.35 1w09 s VAL 56 CO -0.10 -0.24 0.09 0.42 0.00 0.00 0.00 175.10 175.26 1w09 s THR 57 N -2.03 0.83 0.00 3.92 -4.23 -1.26 -5.07 115.64 107.79 1w09 s THR 57 Ca 0.26 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 58.77 1w09 s THR 57 Cb -0.07 -2.66 0.00 0.00 1.34 0.00 0.00 72.50 71.11 1w09 s THR 57 CO 0.15 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 174.84 1w09 n GLY 58 N -0.64 -1.19 3.76 3.99 0.00 -1.26 -4.67 105.19 105.18 1w09 n GLY 58 Ca -0.02 -1.43 -0.31 0.00 0.00 0.00 0.00 46.02 44.26 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 2.10 0.42 1.61 8.01 -1.26 -4.94 118.70 124.63 1w09 s GLU 59 Ca 0.00 1.22 0.18 0.00 0.01 0.00 0.00 54.97 56.37 1w09 s GLU 59 Cb 0.00 -1.88 0.91 0.00 -4.31 0.00 0.00 34.13 28.86 1w09 s GLU 59 CO 0.00 -1.77 1.88 -1.00 0.01 0.00 0.00 175.26 174.38 1w09 h PRO 60 N -1.22 0.00 -0.68 0.39 0.13 -2.01 -2.97 132.00 125.65 1w09 h PRO 60 Ca -0.43 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 64.67 1w09 h PRO 60 Cb 1.24 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.33 1w09 h PRO 60 CO 0.50 0.30 0.34 0.37 -0.23 0.00 0.00 178.00 179.28 1w09 h GLN 61 N 0.00 0.97 -0.27 0.86 4.15 -1.98 -1.91 115.11 116.93 1w09 h GLN 61 Ca -0.00 -0.13 -0.02 0.00 0.77 0.00 0.00 58.65 59.27 1w09 h GLN 61 Cb 0.60 -0.18 -0.01 0.00 0.21 0.00 0.00 27.48 28.10 1w09 h GLN 61 CO 0.04 0.75 0.10 0.93 -1.93 0.00 0.00 178.83 178.72 1w09 h GLU 62 N 0.94 0.41 -0.18 1.69 4.39 -1.88 -1.77 114.58 118.17 1w09 h GLU 62 Ca 0.24 -0.08 0.05 0.00 0.34 0.00 0.00 59.36 59.91 1w09 h GLU 62 Cb 0.09 -0.06 -0.05 0.00 -0.10 0.00 0.00 28.75 28.62 1w09 h GLU 62 CO -0.03 0.45 -0.16 0.00 -1.16 0.00 0.00 179.01 178.10 1w09 h ARG 63 N 0.28 -0.17 -0.84 2.33 3.08 -1.48 -1.42 114.38 116.17 1w09 h ARG 63 Ca 0.09 0.01 0.08 0.00 0.07 0.00 0.00 59.98 60.23 1w09 h ARG 63 Cb 0.20 0.04 -0.07 0.00 0.08 0.00 0.00 29.97 30.22 1w09 h ARG 63 CO -0.01 -0.11 0.49 -0.44 -1.07 0.00 0.00 179.97 178.84 1w09 h ASP 64 N -0.17 0.73 0.00 7.04 5.19 -1.17 -0.34 116.42 127.70 1w09 h ASP 64 Ca 0.11 0.04 -0.04 0.00 -0.62 0.00 0.00 57.03 56.52 1w09 h ASP 64 Cb 0.34 -0.11 -0.01 0.00 0.18 0.00 0.00 39.33 39.73 1w09 h ASP 64 CO -0.29 0.43 -0.10 0.50 -3.12 0.00 0.00 179.24 176.67 1w09 h LYS 65 N 0.85 0.23 -0.19 3.56 3.64 -0.42 0.14 116.57 124.38 1w09 h LYS 65 Ca 0.39 -0.05 -0.20 0.00 -1.27 0.00 0.00 60.65 59.53 1w09 h LYS 65 Cb 0.31 -0.03 0.01 0.00 -0.41 0.00 0.00 32.23 32.10 1w09 h LYS 65 CO -0.22 0.34 -0.65 0.00 -2.27 0.00 0.00 179.45 176.65 1w09 h ALA 66 N 1.68 0.33 -0.09 5.00 0.00 -0.11 -1.58 119.26 124.49 1w09 h ALA 66 Ca 0.05 -0.55 -0.15 0.00 0.00 0.00 0.00 54.91 54.26 1w09 h ALA 66 Cb 0.32 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.07 1w09 h ALA 66 CO 0.02 0.62 -0.59 -0.07 0.00 0.00 0.00 179.25 179.23 1w09 h LEU 67 N 0.50 0.34 -0.01 0.00 4.07 -0.75 -0.75 115.31 118.72 1w09 h LEU 67 Ca -0.03 -0.19 -0.02 0.00 0.08 0.00 0.00 57.88 57.72 1w09 h LEU 67 Cb 1.27 -0.10 0.00 0.00 1.08 0.00 0.00 40.66 42.92 1w09 h LEU 67 CO 0.14 0.85 -0.09 0.06 -1.08 0.00 0.00 178.44 178.32 1w09 h GLN 68 N 0.23 0.08 -0.26 1.13 3.07 -1.00 -1.83 115.11 116.54 1w09 h GLN 68 Ca -0.00 -0.07 -0.04 0.00 0.09 0.00 0.00 58.65 58.63 1w09 h GLN 68 Cb 1.10 0.02 -0.01 0.00 0.08 0.00 0.00 27.48 28.66 1w09 h GLN 68 CO 0.10 0.76 0.00 1.49 0.09 0.00 0.00 178.83 181.27 1w09 h GLU 69 N -0.58 0.39 -0.03 0.06 4.81 -1.32 -1.60 114.58 116.30 1w09 h GLU 69 Ca -0.01 -0.07 -0.01 0.00 -0.13 0.00 0.00 59.36 59.15 1w09 h GLU 69 Cb 0.78 -0.06 -0.00 0.00 0.63 0.00 0.00 28.75 30.10 1w09 h GLU 69 CO 0.02 0.42 -0.01 -0.07 -0.73 0.00 0.00 179.01 178.63 1w09 h LEU 70 N 0.38 0.07 -0.56 1.64 3.38 -1.14 0.42 115.31 119.50 1w09 h LEU 70 Ca 0.09 -0.38 0.07 0.00 0.09 0.00 0.00 57.88 57.74 1w09 h LEU 70 Cb 0.25 -0.02 -0.06 0.00 0.09 0.00 0.00 40.66 40.92 1w09 h LEU 70 CO 0.01 0.44 0.24 -0.09 0.09 0.00 0.00 178.44 179.12 1w09 h ARG 71 N -0.30 0.44 -0.07 1.13 2.43 -0.98 0.31 114.38 117.34 1w09 h ARG 71 Ca 0.01 -0.03 -0.15 0.00 -0.81 0.00 0.00 59.98 59.01 1w09 h ARG 71 Cb 0.41 -0.10 -0.01 0.00 -0.42 0.00 0.00 29.97 29.85 1w09 h ARG 71 CO 0.00 0.29 -0.61 1.96 -1.51 0.00 0.00 179.97 180.11 1w09 h GLN 72 N 0.45 0.24 -0.24 0.20 4.20 -1.26 -1.80 115.11 116.90 1w09 h GLN 72 Ca 0.27 -0.17 -0.02 0.00 0.06 0.00 0.00 58.65 58.80 1w09 h GLN 72 Cb 0.26 0.02 -0.01 0.00 0.30 0.00 0.00 27.48 28.06 1w09 h GLN 72 CO -0.24 0.77 0.09 0.93 -0.67 0.00 0.00 178.83 179.72 1w09 h GLU 73 N 0.18 0.37 -0.24 1.46 4.39 0.14 -1.51 114.58 119.36 1w09 h GLU 73 Ca -0.01 -0.07 -0.06 0.00 0.34 0.00 0.00 59.36 59.56 1w09 h GLU 73 Cb 1.11 -0.06 -0.01 0.00 -0.10 0.00 0.00 28.75 29.70 1w09 h GLU 73 CO 0.09 0.42 -0.09 -0.07 -1.16 0.00 0.00 179.01 178.21 1w09 h LEU 74 N 0.24 0.49 -1.07 1.33 3.38 -0.44 -0.34 115.31 118.90 1w09 h LEU 74 Ca 0.08 -0.39 0.15 0.00 0.09 0.00 0.00 57.88 57.82 1w09 h LEU 74 Cb 0.20 -0.14 -0.09 0.00 0.09 0.00 0.00 40.66 40.72 1w09 h LEU 74 CO -0.01 0.77 0.62 -1.13 0.09 0.00 0.00 178.44 178.78 1w09 h ASN 75 N 0.21 0.82 0.70 -0.43 -1.24 -1.22 0.55 115.58 114.97 1w09 h ASN 75 Ca 0.06 0.07 -0.26 0.00 0.71 0.00 0.00 56.30 56.87 1w09 h ASN 75 Cb 0.57 -0.09 -0.01 0.00 0.73 0.00 0.00 38.32 39.52 1w09 h ASN 75 CO 0.03 0.37 -1.23 0.71 -1.29 0.00 0.00 177.43 176.03 1w09 h THR 76 N 0.84 1.50 -0.02 -3.57 1.35 -1.17 -3.25 112.91 108.60 1w09 h THR 76 Ca 0.52 -3.12 -0.15 0.00 -0.55 0.00 0.00 66.41 63.12 1w09 h THR 76 Cb 0.71 2.89 -0.02 0.00 -1.73 0.00 0.00 68.15 70.01 1w09 h THR 76 CO -0.30 0.90 -0.67 -0.07 -0.25 0.00 0.00 175.52 175.13 1w09 h LEU 77 N 0.05 0.12 -0.55 3.87 3.38 0.38 -3.21 115.31 119.35 1w09 h LEU 77 Ca -0.12 -0.07 -0.15 0.00 0.09 0.00 0.00 57.88 57.62 1w09 h LEU 77 Cb 1.93 -0.03 -0.02 0.00 0.09 0.00 0.00 40.66 42.63 1w09 h LEU 77 CO 0.18 0.75 -0.72 0.00 0.09 0.00 0.00 178.44 178.74 1w09 h ALA 78 N 1.25 0.80 -0.15 1.53 0.00 -0.05 -3.15 119.26 119.49 1w09 h ALA 78 Ca -0.01 -0.65 0.03 0.00 0.00 0.00 0.00 54.91 54.28 1w09 h ALA 78 Cb 1.19 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.83 1w09 h ALA 78 CO 0.09 0.89 -0.06 -0.91 0.00 0.00 0.00 179.25 179.26 1w09 h ASN 79 N 0.01 -0.21 -0.30 0.00 2.35 -1.58 0.64 115.58 116.49 1w09 h ASN 79 Ca -0.01 0.06 -0.15 0.00 -0.55 0.00 0.00 56.30 55.64 1w09 h ASN 79 Cb 1.28 0.12 -0.01 0.00 0.05 0.00 0.00 38.32 39.76 1w09 h ASN 79 CO 0.10 -0.08 -0.39 1.55 -1.65 0.00 0.00 177.43 176.96 1w09 h PRO 80 N -0.04 0.85 0.30 0.81 0.13 -1.70 -2.71 132.00 129.65 1w09 h PRO 80 Ca 0.08 -0.44 -0.01 0.00 -0.87 0.00 0.00 66.00 64.75 1w09 h PRO 80 Cb 0.16 0.01 0.00 0.00 0.13 0.00 0.00 31.00 31.30 1w09 h PRO 80 CO -0.18 1.09 -0.15 0.35 -0.23 0.00 0.00 178.00 178.88 1w09 h PHE 81 N 0.70 -0.38 -0.43 1.56 3.57 -1.47 -1.90 116.94 118.59 1w09 h PHE 81 Ca 0.06 -0.01 0.11 0.00 3.53 0.00 0.00 57.97 61.66 1w09 h PHE 81 Cb 0.96 0.12 -0.02 0.00 2.79 0.00 0.00 35.95 39.81 1w09 h PHE 81 CO 0.06 -0.14 0.31 -0.07 -2.23 0.00 0.00 178.31 176.23 1w09 h LEU 82 N -0.55 0.06 -0.30 0.59 3.38 -0.92 -0.55 115.31 117.02 1w09 h LEU 82 Ca -0.04 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 57.83 1w09 h LEU 82 Cb 0.41 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 41.14 1w09 h LEU 82 CO 0.07 0.03 -0.20 0.00 0.09 0.00 0.00 178.44 178.43 1w09 h ALA 83 N 1.78 0.42 -0.58 1.53 0.00 -1.12 0.32 119.26 121.62 1w09 h ALA 83 Ca 0.20 -0.36 -0.02 0.00 0.00 0.00 0.00 54.91 54.74 1w09 h ALA 83 Cb 0.74 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.40 1w09 h ALA 83 CO -0.01 0.37 0.29 0.87 0.00 0.00 0.00 179.25 180.77 1w09 h LYS 84 N 0.41 0.83 0.03 0.00 1.57 -0.34 -0.52 116.57 118.56 1w09 h LYS 84 Ca 0.06 -0.12 -0.22 0.00 -1.87 0.00 0.00 60.65 58.50 1w09 h LYS 84 Cb 0.75 -0.15 -0.01 0.00 0.08 0.00 0.00 32.23 32.90 1w09 h LYS 84 CO 0.06 0.67 -0.98 -0.92 -0.57 0.00 0.00 179.45 177.70 1w09 h TYR 85 N 0.79 0.37 -0.47 -1.35 3.20 -1.31 -1.12 116.97 117.08 1w09 h TYR 85 Ca 0.20 -0.22 -0.11 0.00 3.14 0.00 0.00 58.73 61.74 1w09 h TYR 85 Cb 0.10 -0.03 -0.02 0.00 1.54 0.00 0.00 36.73 38.32 1w09 h TYR 85 CO -0.00 1.08 -0.14 0.07 -1.64 0.00 0.00 178.16 177.53 1w09 h ARG 86 N 0.11 0.89 -0.13 1.82 0.11 -0.18 0.49 114.38 117.50 1w09 h ARG 86 Ca -0.07 -0.33 -0.18 0.00 0.10 0.00 0.00 59.98 59.50 1w09 h ARG 86 Cb 1.65 -0.06 -0.00 0.00 1.11 0.00 0.00 29.97 32.67 1w09 h ARG 86 CO 0.15 0.97 -0.68 0.22 0.10 0.00 0.00 179.97 180.74 1w09 h ASP 87 N 0.80 0.61 0.63 0.08 3.58 -1.11 0.12 116.42 121.12 1w09 h ASP 87 Ca 0.12 -0.37 -0.11 0.00 0.42 0.00 0.00 57.03 57.09 1w09 h ASP 87 Cb 0.66 -0.18 -0.02 0.00 1.72 0.00 0.00 39.33 41.52 1w09 h ASP 87 CO 0.05 1.12 -0.52 0.15 -2.88 0.00 0.00 179.24 177.15 1w09 h PHE 88 N 0.37 0.00 0.09 0.28 3.57 -0.88 0.41 116.94 120.78 1w09 h PHE 88 Ca -0.02 0.00 -0.15 0.00 3.53 0.00 0.00 57.97 61.33 1w09 h PHE 88 Cb 1.26 0.00 0.02 0.00 2.79 0.00 0.00 35.95 40.01 1w09 h PHE 88 CO 0.05 0.52 -0.64 -0.07 -2.23 0.00 0.00 178.31 175.95 1w09 h LEU 89 N 0.00 0.41 -0.60 0.59 -0.00 0.15 -2.69 115.31 113.17 1w09 h LEU 89 Ca -0.01 -0.90 -0.15 0.00 -0.00 0.00 0.00 57.88 56.82 1w09 h LEU 89 Cb 0.98 -0.13 -0.01 0.00 -0.00 0.00 0.00 40.66 41.50 1w09 h LEU 89 CO 0.07 1.28 -0.55 0.11 -0.00 0.00 0.00 178.44 179.35 1w09 h LYS 90 N -0.39 0.43 -0.00 1.13 6.56 -0.70 -3.00 116.57 120.59 1w09 h LYS 90 Ca -0.10 -0.27 0.00 0.00 -1.06 0.00 0.00 60.65 59.21 1w09 h LYS 90 Cb 1.46 0.03 0.00 0.00 -0.57 0.00 0.00 32.23 33.15 1w09 h LYS 90 CO 0.12 0.87 -0.14 0.45 -2.06 0.00 0.00 179.45 178.69 1w09 n SER 91 N -3.94 0.46 -4.58 0.86 2.88 0.14 -4.78 113.62 104.66 1w09 n SER 91 Ca -0.03 -0.47 -0.42 0.00 -1.33 0.00 0.00 58.87 56.61 1w09 n SER 91 Cb 0.60 -0.07 -0.05 0.00 -0.75 0.00 0.00 64.21 63.93 1w09 n SER 91 CO 0.00 0.00 0.00 -1.00 -1.23 0.00 0.00 175.04 172.81 1w09 s HIS 92 N -2.56 3.07 -0.07 0.66 3.76 -1.01 -5.02 115.29 114.11 1w09 s HIS 92 Ca 0.26 0.50 0.05 0.00 -0.15 0.00 0.00 55.06 55.72 1w09 s HIS 92 Cb 0.20 -3.52 -0.00 0.00 1.11 0.00 0.00 32.58 30.36 1w09 s HIS 92 CO 0.50 -0.82 -0.22 -1.83 -0.85 0.00 0.00 174.74 171.52 1w09 s GLU 93 N 3.23 2.58 0.00 1.40 -1.05 -1.26 -4.97 118.70 118.62 1w09 s GLU 93 Ca 0.32 -0.81 0.01 0.00 -0.15 0.00 0.00 54.97 54.34 1w09 s GLU 93 Cb -0.13 -2.07 0.01 0.00 -0.44 0.00 0.00 34.13 31.51 1w09 s GLU 93 CO 0.19 0.25 0.53 1.28 0.95 0.00 0.00 175.26 178.45