#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 -0.07 0.53 1.47 1.43 -1.26 -5.00 118.68 115.79 1w09 s LEU 4 Ca 0.00 -0.77 0.25 0.00 -1.03 0.00 0.00 54.13 52.58 1w09 s LEU 4 Cb 0.00 0.32 1.39 0.00 0.03 0.00 0.00 46.19 47.93 1w09 s LEU 4 CO 0.00 -0.39 2.01 0.50 0.23 0.00 0.00 176.35 178.70 1w09 h LYS 5 N 8.30 0.00 -0.63 1.70 3.64 -2.05 -0.96 116.57 126.58 1w09 h LYS 5 Ca -0.15 -0.00 0.08 0.00 -1.27 0.00 0.00 60.65 59.31 1w09 h LYS 5 Cb 1.08 -0.00 -0.06 0.00 -0.41 0.00 0.00 32.23 32.83 1w09 h LYS 5 CO 0.35 0.00 0.29 0.00 -2.27 0.00 0.00 179.45 177.82 1w09 h ALA 6 N 1.75 0.83 0.07 5.00 0.00 -1.98 0.48 119.26 125.41 1w09 h ALA 6 Ca 0.24 0.05 -0.00 0.00 0.00 0.00 0.00 54.91 55.20 1w09 h ALA 6 Cb 0.95 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.71 1w09 h ALA 6 CO -0.00 -0.09 -0.03 -0.91 0.00 0.00 0.00 179.25 178.21 1w09 h ASN 7 N 0.52 -0.08 -0.52 0.00 4.21 -1.58 -1.66 115.58 116.47 1w09 h ASN 7 Ca 0.30 -0.18 0.04 0.00 1.21 0.00 0.00 56.30 57.66 1w09 h ASN 7 Cb 0.30 0.02 -0.03 0.00 -1.12 0.00 0.00 38.32 37.49 1w09 h ASN 7 CO -0.25 0.14 0.35 0.50 -1.29 0.00 0.00 177.43 176.88 1w09 h LYS 8 N -0.30 0.56 -0.50 0.81 3.11 -1.32 -1.35 116.57 117.57 1w09 h LYS 8 Ca -0.01 -0.03 -0.06 0.00 -2.81 0.00 0.00 60.65 57.74 1w09 h LYS 8 Cb 0.26 -0.13 -0.02 0.00 -1.00 0.00 0.00 32.23 31.34 1w09 h LYS 8 CO 0.02 0.37 0.08 0.22 -2.81 0.00 0.00 179.45 177.33 1w09 h ASP 9 N 0.58 0.80 -0.19 4.20 3.58 0.27 0.27 116.42 125.92 1w09 h ASP 9 Ca 0.21 -0.26 0.01 0.00 0.42 0.00 0.00 57.03 57.41 1w09 h ASP 9 Cb 0.13 -0.21 -0.01 0.00 1.72 0.00 0.00 39.33 40.95 1w09 h ASP 9 CO -0.06 0.85 0.12 0.25 -2.88 0.00 0.00 179.24 177.52 1w09 h LEU 10 N 0.71 0.19 0.33 2.28 7.12 -0.32 0.33 115.31 125.96 1w09 h LEU 10 Ca 0.15 -0.00 -0.01 0.00 0.13 0.00 0.00 57.88 58.15 1w09 h LEU 10 Cb 0.39 -0.04 -0.00 0.00 -0.53 0.00 0.00 40.66 40.48 1w09 h LEU 10 CO 0.01 0.14 -0.19 0.40 -0.13 0.00 0.00 178.44 178.67 1w09 h ILE 11 N 0.24 0.59 -0.51 4.05 1.08 -1.18 -1.85 117.51 119.94 1w09 h ILE 11 Ca 0.07 0.00 0.08 0.00 -0.39 0.00 0.00 64.86 64.62 1w09 h ILE 11 Cb -0.01 0.59 -0.03 0.00 -3.07 0.00 0.00 36.82 34.30 1w09 h ILE 11 CO -0.03 0.00 0.34 0.28 -0.69 0.00 0.00 178.15 178.05 1w09 h SER 12 N -0.50 0.32 -0.51 1.72 0.02 -0.71 0.72 113.55 114.62 1w09 h SER 12 Ca -0.04 0.00 -0.07 0.00 -0.84 0.00 0.00 61.79 60.85 1w09 h SER 12 Cb 0.41 -0.07 -0.02 0.00 0.14 0.00 0.00 62.40 62.86 1w09 h SER 12 CO 0.04 0.21 0.04 0.00 -1.14 0.00 0.00 176.83 175.98 1w09 h ALA 13 N 1.74 0.68 -0.32 3.77 0.00 0.32 0.43 119.26 125.88 1w09 h ALA 13 Ca 0.23 -0.26 -0.13 0.00 0.00 0.00 0.00 54.91 54.74 1w09 h ALA 13 Cb 0.42 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 18.02 1w09 h ALA 13 CO -0.06 0.45 -0.31 0.78 0.00 0.00 0.00 179.25 180.11 1w09 h GLY 14 N 0.74 0.84 0.45 0.00 0.00 -0.55 -0.25 103.07 104.31 1w09 h GLY 14 Ca 0.15 -0.86 -0.00 0.00 0.00 0.00 0.00 47.33 46.62 1w09 h GLY 14 CO 0.02 0.78 -0.47 1.41 0.00 0.00 0.00 176.54 178.27 1w09 h LEU 15 N 0.54 -1.31 -1.91 3.11 4.07 -0.62 0.38 115.31 119.56 1w09 h LEU 15 Ca 0.05 0.12 0.01 0.00 0.08 0.00 0.00 57.88 58.14 1w09 h LEU 15 Cb 0.89 0.45 -0.01 0.00 1.08 0.00 0.00 40.66 43.07 1w09 h LEU 15 CO 0.08 -0.60 0.08 0.07 -1.08 0.00 0.00 178.44 176.99 1w09 h LYS 16 N -0.88 0.12 -0.17 1.13 2.10 -0.14 0.25 116.57 118.99 1w09 h LYS 16 Ca -0.04 -0.01 -0.03 0.00 -2.00 0.00 0.00 60.65 58.58 1w09 h LYS 16 Cb 0.80 -0.03 -0.01 0.00 -0.90 0.00 0.00 32.23 32.09 1w09 h LYS 16 CO -0.12 0.08 -0.00 0.93 -2.00 0.00 0.00 179.45 178.34 1w09 h GLU 17 N 0.12 0.30 -0.11 0.07 4.39 0.25 -0.76 114.58 118.83 1w09 h GLU 17 Ca 0.05 -0.10 -0.07 0.00 0.34 0.00 0.00 59.36 59.58 1w09 h GLU 17 Cb 0.04 -0.03 0.00 0.00 -0.10 0.00 0.00 28.75 28.67 1w09 h GLU 17 CO -0.01 0.52 -0.22 0.35 -1.16 0.00 0.00 179.01 178.50 1w09 h PHE 18 N 0.04 0.43 -0.10 4.33 3.57 0.43 -0.70 116.94 124.95 1w09 h PHE 18 Ca 0.05 -0.16 0.03 0.00 3.53 0.00 0.00 57.97 61.43 1w09 h PHE 18 Cb 0.39 -0.08 -0.04 0.00 2.79 0.00 0.00 35.95 39.01 1w09 h PHE 18 CO 0.04 0.83 -0.13 0.66 -2.23 0.00 0.00 178.31 177.47 1w09 h SER 19 N -0.08 -0.40 0.03 0.41 4.64 -0.55 0.20 113.55 117.79 1w09 h SER 19 Ca 0.01 0.07 -0.08 0.00 -0.47 0.00 0.00 61.79 61.32 1w09 h SER 19 Cb 0.80 0.19 -0.01 0.00 -0.31 0.00 0.00 62.40 63.06 1w09 h SER 19 CO 0.05 -0.17 -0.24 0.58 -0.87 0.00 0.00 176.83 176.18 1w09 h VAL 20 N -0.17 1.25 -0.25 0.95 2.07 -1.19 -1.60 116.25 117.31 1w09 h VAL 20 Ca 0.08 -1.15 -0.05 0.00 0.82 0.00 0.00 66.70 66.40 1w09 h VAL 20 Cb 0.28 1.36 -0.01 0.00 -1.52 0.00 0.00 31.29 31.41 1w09 h VAL 20 CO -0.20 0.36 -0.03 0.25 0.02 0.00 0.00 177.57 177.97 1w09 h LEU 21 N 0.32 0.45 -0.82 2.57 5.85 -0.26 0.92 115.31 124.33 1w09 h LEU 21 Ca 0.05 -0.33 -0.11 0.00 0.84 0.00 0.00 57.88 58.33 1w09 h LEU 21 Cb 0.59 -0.12 -0.01 0.00 0.37 0.00 0.00 40.66 41.49 1w09 h LEU 21 CO 0.04 0.68 -0.31 -0.07 -0.34 0.00 0.00 178.44 178.43 1w09 h LEU 22 N 0.21 0.53 0.10 2.25 3.38 -0.52 0.89 115.31 122.16 1w09 h LEU 22 Ca 0.07 -0.20 -0.27 0.00 0.09 0.00 0.00 57.88 57.56 1w09 h LEU 22 Cb 0.46 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 41.06 1w09 h LEU 22 CO 0.02 0.82 -1.30 -0.55 0.09 0.00 0.00 178.44 177.52 1w09 h ASN 23 N 0.44 0.34 -0.46 -0.43 -1.07 -1.20 -3.30 115.58 109.91 1w09 h ASN 23 Ca 0.05 -0.39 0.00 0.00 0.07 0.00 0.00 56.30 56.03 1w09 h ASN 23 Cb 0.77 -0.11 0.00 0.00 -2.07 0.00 0.00 38.32 36.91 1w09 h ASN 23 CO 0.06 1.31 0.00 1.67 0.07 0.00 0.00 177.43 180.54 1w09 n GLN 24 N -3.47 3.92 -0.40 4.14 7.27 0.32 -4.72 117.38 124.44 1w09 n GLN 24 Ca -0.10 -2.96 -0.10 0.00 0.07 0.00 0.00 57.00 53.92 1w09 n GLN 24 Cb 1.02 -2.02 -0.08 0.00 2.41 0.00 0.00 30.24 31.57 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 0.26 -0.40 0.00 3.69 0.00 0.31 -4.91 117.38 116.32 1w09 n GLN 25 Ca 0.24 1.47 0.00 0.00 -0.00 0.00 0.00 57.00 58.71 1w09 n GLN 25 Cb 1.01 -2.16 0.00 0.00 0.00 0.00 0.00 30.24 29.09 1w09 n GLN 25 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.06 177.34 1w09 n VAL 26 N -5.23 -0.05 -3.94 1.69 0.31 -1.26 -5.04 118.33 104.80 1w09 n VAL 26 Ca 0.03 0.00 -0.30 0.00 -0.01 0.00 0.00 64.34 64.05 1w09 n VAL 26 Cb 0.27 -0.05 -0.15 0.00 -0.91 0.00 0.00 33.84 33.00 1w09 n VAL 26 CO 0.00 0.00 0.00 -0.36 -1.32 0.00 0.00 176.83 175.15 1w09 s PHE 27 N -0.07 3.21 -0.05 3.52 0.40 -1.26 -5.08 117.98 118.64 1w09 s PHE 27 Ca 0.00 -2.87 -0.04 0.00 -0.60 0.00 0.00 56.93 53.42 1w09 s PHE 27 Cb 0.00 -2.67 0.02 0.00 0.51 0.00 0.00 43.02 40.88 1w09 s PHE 27 CO 0.00 -0.87 0.14 1.21 0.70 0.00 0.00 175.22 176.40 1w09 s ASN 28 N 0.58 -0.13 0.47 1.36 3.84 -1.26 -5.09 114.94 114.70 1w09 s ASN 28 Ca 0.13 0.28 -0.24 0.00 0.21 0.00 0.00 52.86 53.24 1w09 s ASN 28 Cb -0.21 0.26 -0.08 0.00 -0.55 0.00 0.00 41.25 40.66 1w09 s ASN 28 CO -0.07 -0.07 1.24 -0.67 -2.79 0.00 0.00 177.10 174.74 1w09 n ASP 29 N 3.29 2.31 -4.70 -4.21 2.03 -1.26 -3.89 116.55 110.12 1w09 n ASP 29 Ca -0.16 1.05 -0.42 0.00 0.52 0.00 0.00 54.79 55.78 1w09 n ASP 29 Cb 0.57 -1.50 -0.03 0.00 -0.72 0.00 0.00 41.12 39.45 1w09 n ASP 29 CO 0.00 0.00 0.00 -2.16 -1.92 0.00 0.00 177.20 173.12 1w09 s PRO 30 N -2.39 4.34 -0.03 -0.67 0.04 -1.26 -5.11 135.00 129.93 1w09 s PRO 30 Ca 0.65 1.84 -0.30 0.00 0.04 0.00 0.00 61.00 63.23 1w09 s PRO 30 Cb -0.48 -3.48 -0.05 0.00 0.04 0.00 0.00 34.50 30.52 1w09 s PRO 30 CO 0.55 -0.45 1.42 -0.51 0.04 0.00 0.00 177.00 178.05 1w09 s LEU 31 N 1.90 4.30 0.38 -3.56 1.43 -1.25 -4.99 118.68 116.89 1w09 s LEU 31 Ca 0.60 2.08 -0.25 0.00 -1.03 0.00 0.00 54.13 55.53 1w09 s LEU 31 Cb -0.29 -3.55 -0.09 0.00 0.03 0.00 0.00 46.19 42.28 1w09 s LEU 31 CO 0.26 -0.75 1.07 0.54 0.23 0.00 0.00 176.35 177.70 1w09 s VAL 32 N 2.77 3.62 0.88 -1.59 0.11 -1.26 -5.04 120.40 119.88 1w09 s VAL 32 Ca 0.64 1.31 -0.14 0.00 -2.93 0.00 0.00 61.98 60.86 1w09 s VAL 32 Cb -0.30 -3.71 0.13 0.00 -1.53 0.00 0.00 36.38 30.97 1w09 s VAL 32 CO 0.25 0.07 1.24 -0.55 -3.33 0.00 0.00 175.10 172.78 1w09 s SER 33 N -1.42 3.89 0.15 3.54 0.15 -1.26 -4.83 113.70 113.92 1w09 s SER 33 Ca 0.56 0.57 -0.13 0.00 0.70 0.00 0.00 55.95 57.65 1w09 s SER 33 Cb -0.24 -0.87 0.03 0.00 -1.71 0.00 0.00 66.02 63.23 1w09 s SER 33 CO 0.31 -2.27 1.66 -0.33 1.20 0.00 0.00 173.24 173.80 1w09 h GLU 34 N -1.32 0.83 -0.45 5.44 4.39 -1.96 0.11 114.58 121.62 1w09 h GLU 34 Ca -0.45 -0.20 -0.09 0.00 0.34 0.00 0.00 59.36 58.96 1w09 h GLU 34 Cb 1.29 -0.11 -0.02 0.00 -0.10 0.00 0.00 28.75 29.81 1w09 h GLU 34 CO 0.54 0.79 -0.07 1.49 -1.16 0.00 0.00 179.01 180.60 1w09 h GLU 35 N 0.72 0.79 -0.22 2.33 4.81 -1.98 0.31 114.58 121.34 1w09 h GLU 35 Ca 0.16 -0.25 -0.18 0.00 -0.13 0.00 0.00 59.36 58.97 1w09 h GLU 35 Cb 0.34 -0.07 -0.00 0.00 0.63 0.00 0.00 28.75 29.64 1w09 h GLU 35 CO 0.00 0.85 -0.58 -0.44 -0.73 0.00 0.00 179.01 178.11 1w09 h ASP 36 N 0.73 0.77 -0.25 1.04 3.32 -1.89 -2.04 116.42 118.10 1w09 h ASP 36 Ca 0.13 -0.43 -0.06 0.00 0.02 0.00 0.00 57.03 56.69 1w09 h ASP 36 Cb 0.55 -0.22 -0.01 0.00 0.22 0.00 0.00 39.33 39.87 1w09 h ASP 36 CO 0.03 1.18 -0.09 -0.03 -1.72 0.00 0.00 179.24 178.62 1w09 h MET 37 N 0.52 0.50 -0.67 3.56 4.05 -0.45 -1.81 114.93 120.63 1w09 h MET 37 Ca 0.00 -0.20 0.06 0.00 -0.28 0.00 0.00 59.70 59.28 1w09 h MET 37 Cb 1.16 -0.02 -0.06 0.00 -0.80 0.00 0.00 31.60 31.88 1w09 h MET 37 CO 0.12 0.74 0.36 0.28 0.23 0.00 0.00 176.91 178.64 1w09 h VAL 38 N 0.23 0.95 -0.38 -5.77 2.07 -0.33 0.26 116.25 113.27 1w09 h VAL 38 Ca 0.06 -0.23 -0.02 0.00 0.82 0.00 0.00 66.70 67.34 1w09 h VAL 38 Cb 0.58 0.23 -0.02 0.00 -1.52 0.00 0.00 31.29 30.56 1w09 h VAL 38 CO 0.03 0.12 0.17 0.71 0.02 0.00 0.00 177.57 178.63 1w09 h THR 39 N 0.66 1.17 -0.58 2.57 1.35 -1.25 0.25 112.91 117.07 1w09 h THR 39 Ca 0.30 -0.50 0.00 0.00 -0.55 0.00 0.00 66.41 65.67 1w09 h THR 39 Cb 0.21 0.81 -0.03 0.00 -1.73 0.00 0.00 68.15 67.42 1w09 h THR 39 CO -0.20 0.19 0.38 0.58 -0.25 0.00 0.00 175.52 176.22 1w09 h VAL 40 N 0.47 1.15 -0.06 6.82 2.07 -0.48 0.60 116.25 126.81 1w09 h VAL 40 Ca 0.13 -0.28 -0.01 0.00 0.82 0.00 0.00 66.70 67.36 1w09 h VAL 40 Cb 0.13 0.31 -0.00 0.00 -1.52 0.00 0.00 31.29 30.21 1w09 h VAL 40 CO -0.02 0.15 0.01 0.58 0.02 0.00 0.00 177.57 178.31 1w09 h VAL 41 N 0.78 1.21 -0.76 2.57 2.07 -0.22 -1.57 116.25 120.33 1w09 h VAL 41 Ca 0.21 -0.63 0.06 0.00 0.82 0.00 0.00 66.70 67.16 1w09 h VAL 41 Cb -0.08 1.52 -0.06 0.00 -1.52 0.00 0.00 31.29 31.15 1w09 h VAL 41 CO -0.04 0.18 0.45 -0.08 0.02 0.00 0.00 177.57 178.09 1w09 h GLU 42 N -0.14 0.79 -0.89 1.57 4.81 -0.28 -0.62 114.58 119.81 1w09 h GLU 42 Ca 0.02 -0.05 0.00 0.00 -0.13 0.00 0.00 59.36 59.21 1w09 h GLU 42 Cb 0.27 -0.18 -0.04 0.00 0.63 0.00 0.00 28.75 29.43 1w09 h GLU 42 CO 0.00 0.52 0.58 0.22 -0.73 0.00 0.00 179.01 179.60 1w09 h ASP 43 N 0.81 1.04 -0.91 1.04 3.58 -0.73 -1.58 116.42 119.67 1w09 h ASP 43 Ca 0.34 -0.04 0.00 0.00 0.42 0.00 0.00 57.03 57.75 1w09 h ASP 43 Cb 0.19 -0.26 -0.04 0.00 1.72 0.00 0.00 39.33 40.93 1w09 h ASP 43 CO -0.18 0.77 0.57 -0.50 -2.88 0.00 0.00 179.24 177.02 1w09 h TRP 44 N 1.22 1.18 -0.20 0.28 6.55 -0.13 -0.36 115.95 124.49 1w09 h TRP 44 Ca 0.33 0.01 -0.05 0.00 0.95 0.00 0.00 58.89 60.12 1w09 h TRP 44 Cb -0.12 -0.39 -0.01 0.00 -0.86 0.00 0.00 29.16 27.79 1w09 h TRP 44 CO -0.01 0.77 -0.08 0.52 -1.05 0.00 0.00 178.44 178.59 1w09 h MET 45 N 1.25 0.41 -0.16 0.49 2.86 -0.31 -1.66 114.93 117.81 1w09 h MET 45 Ca 0.33 -0.17 -0.13 0.00 -2.06 0.00 0.00 59.70 57.67 1w09 h MET 45 Cb -0.09 -0.02 -0.01 0.00 0.06 0.00 0.00 31.60 31.54 1w09 h MET 45 CO -0.07 0.69 -0.46 -2.95 1.06 0.00 0.00 176.91 175.18 1w09 h ASN 46 N 0.11 0.44 -0.32 1.22 7.08 -1.18 -1.51 115.58 121.43 1w09 h ASN 46 Ca 0.05 -0.21 -0.01 0.00 -3.08 0.00 0.00 56.30 53.04 1w09 h ASN 46 Cb 0.56 -0.12 -0.01 0.00 -2.08 0.00 0.00 38.32 36.66 1w09 h ASN 46 CO 0.03 0.84 0.14 0.15 -2.08 0.00 0.00 177.43 176.51 1w09 h PHE 47 N 0.33 0.47 -0.15 4.14 3.57 -1.02 -1.32 116.94 122.95 1w09 h PHE 47 Ca 0.02 -0.03 -0.03 0.00 3.53 0.00 0.00 57.97 61.46 1w09 h PHE 47 Cb 0.94 -0.14 -0.01 0.00 2.79 0.00 0.00 35.95 39.53 1w09 h PHE 47 CO 0.03 0.43 -0.01 1.88 -2.23 0.00 0.00 178.31 178.41 1w09 h TYR 48 N 0.37 0.31 0.16 0.41 0.05 -1.18 0.19 116.97 117.28 1w09 h TYR 48 Ca 0.11 -0.06 0.01 0.00 0.05 0.00 0.00 58.73 58.84 1w09 h TYR 48 Cb 0.15 -0.08 -0.03 0.00 1.01 0.00 0.00 36.73 37.78 1w09 h TYR 48 CO -0.01 0.52 -0.29 0.82 -1.05 0.00 0.00 178.16 178.15 1w09 h ILE 49 N 0.01 0.38 -0.40 -2.88 5.03 -1.20 0.48 117.51 118.92 1w09 h ILE 49 Ca 0.04 0.00 -0.10 0.00 -0.12 0.00 0.00 64.86 64.69 1w09 h ILE 49 Cb 0.40 0.38 -0.02 0.00 -3.03 0.00 0.00 36.82 34.55 1w09 h ILE 49 CO 0.01 0.00 -0.14 0.78 -0.68 0.00 0.00 178.15 178.12 1w09 h ASN 50 N -0.53 0.73 -0.65 1.72 2.35 -1.27 -1.80 115.58 116.12 1w09 h ASN 50 Ca 0.02 -0.22 -0.07 0.00 -0.55 0.00 0.00 56.30 55.48 1w09 h ASN 50 Cb 0.54 -0.20 -0.03 0.00 0.05 0.00 0.00 38.32 38.69 1w09 h ASN 50 CO -0.14 0.88 0.14 0.22 -1.65 0.00 0.00 177.43 176.88 1w09 h TYR 51 N 0.66 1.12 -0.01 1.19 3.20 -0.17 -3.14 116.97 119.82 1w09 h TYR 51 Ca 0.11 -0.14 -0.23 0.00 3.14 0.00 0.00 58.73 61.61 1w09 h TYR 51 Cb 0.61 -0.31 0.01 0.00 1.54 0.00 0.00 36.73 38.57 1w09 h TYR 51 CO 0.03 0.92 -0.94 1.88 -1.64 0.00 0.00 178.16 178.41 1w09 h TYR 52 N 1.01 0.71 -0.16 -3.82 -1.99 0.14 -2.76 116.97 110.10 1w09 h TYR 52 Ca 0.21 -0.38 0.05 0.00 2.00 0.00 0.00 58.73 60.60 1w09 h TYR 52 Cb 0.39 -0.08 -0.01 0.00 2.00 0.00 0.00 36.73 39.03 1w09 h TYR 52 CO 0.03 1.20 0.13 0.07 -0.00 0.00 0.00 178.16 179.59 1w09 h ARG 53 N 0.28 0.00 -0.00 4.88 0.11 -1.28 0.23 114.38 118.60 1w09 h ARG 53 Ca -0.09 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.99 1w09 h ARG 53 Cb 1.58 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.66 1w09 h ARG 53 CO 0.17 0.00 -0.66 0.94 0.10 0.00 0.00 179.97 180.51 1w09 n GLN 54 N -4.26 0.29 0.00 0.08 7.27 -1.21 -4.09 117.38 115.46 1w09 n GLN 54 Ca 0.01 -0.21 0.11 0.00 0.07 0.00 0.00 57.00 56.98 1w09 n GLN 54 Cb 0.25 -1.50 0.09 0.00 2.41 0.00 0.00 30.24 31.50 1w09 n GLN 54 CO 0.00 0.00 0.00 0.94 0.07 0.00 0.00 177.06 178.07 1w09 n GLN 55 N -1.17 0.44 -2.22 3.69 -0.06 0.74 -4.97 117.38 113.84 1w09 n GLN 55 Ca 0.06 -0.33 -0.27 0.00 -2.00 0.00 0.00 57.00 54.46 1w09 n GLN 55 Cb 0.35 -1.49 0.16 0.00 -4.06 0.00 0.00 30.24 25.20 1w09 n GLN 55 CO 0.00 0.00 0.00 0.08 -0.20 0.00 0.00 177.06 176.94 1w09 s VAL 56 N -2.78 2.04 0.24 1.69 1.01 -0.73 -5.05 120.40 116.82 1w09 s VAL 56 Ca 0.14 -0.26 -0.05 0.00 0.00 0.00 0.00 61.98 61.82 1w09 s VAL 56 Cb 0.17 -2.79 -0.02 0.00 0.00 0.00 0.00 36.38 33.74 1w09 s VAL 56 CO 0.69 0.00 0.29 0.42 0.00 0.00 0.00 175.10 176.51 1w09 s THR 57 N -3.58 0.00 0.00 3.92 -4.23 -1.26 -5.08 115.64 105.41 1w09 s THR 57 Ca 0.71 -1.75 0.00 0.00 -1.18 0.00 0.00 61.69 59.47 1w09 s THR 57 Cb -0.04 -2.41 0.00 0.00 1.34 0.00 0.00 72.50 71.39 1w09 s THR 57 CO 0.49 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 175.18 1w09 n GLY 58 N -0.36 0.17 3.87 3.99 0.00 -1.26 -4.70 105.19 106.90 1w09 n GLY 58 Ca 0.01 -1.27 -0.30 0.00 0.00 0.00 0.00 46.02 44.46 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 2.88 0.52 1.61 2.02 -1.26 -4.97 118.70 119.50 1w09 s GLU 59 Ca 0.00 0.55 0.30 0.00 0.02 0.00 0.00 54.97 55.84 1w09 s GLU 59 Cb 0.00 -2.02 1.38 0.00 0.10 0.00 0.00 34.13 33.59 1w09 s GLU 59 CO 0.00 -1.04 2.01 -1.00 0.02 0.00 0.00 175.26 175.25 1w09 h PRO 60 N -0.66 0.00 -0.47 0.39 0.13 -2.01 -2.99 132.00 126.39 1w09 h PRO 60 Ca -0.45 0.00 -0.06 0.00 -0.87 0.00 0.00 66.00 64.62 1w09 h PRO 60 Cb 1.24 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.36 1w09 h PRO 60 CO 0.63 0.11 0.08 1.96 -0.23 0.00 0.00 178.00 180.54 1w09 h GLN 61 N 0.00 0.77 -0.52 0.86 7.50 -1.97 -1.99 115.11 119.77 1w09 h GLN 61 Ca -0.00 -0.21 -0.00 0.00 0.50 0.00 0.00 58.65 58.94 1w09 h GLN 61 Cb 0.47 -0.09 -0.03 0.00 0.05 0.00 0.00 27.48 27.88 1w09 h GLN 61 CO 0.01 0.79 0.32 0.93 -1.50 0.00 0.00 178.83 179.38 1w09 h GLU 62 N 0.64 0.70 -0.15 1.46 5.08 -1.86 -1.72 114.58 118.73 1w09 h GLU 62 Ca 0.14 -0.06 0.04 0.00 -1.00 0.00 0.00 59.36 58.48 1w09 h GLU 62 Cb 0.39 -0.15 -0.04 0.00 0.50 0.00 0.00 28.75 29.45 1w09 h GLU 62 CO 0.01 0.51 -0.10 0.00 -1.00 0.00 0.00 179.01 178.43 1w09 h ARG 63 N 0.70 -0.10 -0.86 2.33 2.47 -1.54 -1.31 114.38 116.08 1w09 h ARG 63 Ca 0.19 0.01 0.10 0.00 -1.26 0.00 0.00 59.98 59.01 1w09 h ARG 63 Cb -0.02 0.02 -0.07 0.00 -1.65 0.00 0.00 29.97 28.25 1w09 h ARG 63 CO -0.04 -0.07 0.50 0.22 0.56 0.00 0.00 179.97 181.15 1w09 h ASP 64 N -0.10 0.73 -0.09 7.04 3.58 -0.95 0.08 116.42 126.71 1w09 h ASP 64 Ca 0.09 0.04 -0.08 0.00 0.42 0.00 0.00 57.03 57.50 1w09 h ASP 64 Cb 0.23 -0.10 -0.01 0.00 1.72 0.00 0.00 39.33 41.17 1w09 h ASP 64 CO -0.21 0.42 -0.18 0.50 -2.88 0.00 0.00 179.24 176.88 1w09 h LYS 65 N 0.84 0.48 -0.35 0.28 3.64 -0.60 -1.25 116.57 119.62 1w09 h LYS 65 Ca 0.41 -0.16 -0.15 0.00 -1.27 0.00 0.00 60.65 59.49 1w09 h LYS 65 Cb 0.36 -0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 32.13 1w09 h LYS 65 CO -0.24 0.64 -0.37 0.00 -2.27 0.00 0.00 179.45 177.21 1w09 h ALA 66 N 1.37 0.69 -0.28 5.00 0.00 -0.10 -0.32 119.26 125.62 1w09 h ALA 66 Ca 0.07 -0.44 -0.12 0.00 0.00 0.00 0.00 54.91 54.42 1w09 h ALA 66 Cb 0.57 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.23 1w09 h ALA 66 CO 0.04 0.67 -0.32 -0.07 0.00 0.00 0.00 179.25 179.57 1w09 h LEU 67 N 0.67 0.61 0.00 0.00 4.07 -0.69 0.11 115.31 120.09 1w09 h LEU 67 Ca 0.06 -0.24 -0.03 0.00 0.08 0.00 0.00 57.88 57.75 1w09 h LEU 67 Cb 0.93 -0.17 0.00 0.00 1.08 0.00 0.00 40.66 42.51 1w09 h LEU 67 CO 0.09 0.89 -0.12 0.06 -1.08 0.00 0.00 178.44 178.28 1w09 h GLN 68 N 0.51 0.08 -0.71 1.13 3.07 -1.14 -0.95 115.11 117.10 1w09 h GLN 68 Ca 0.06 -0.08 -0.02 0.00 0.09 0.00 0.00 58.65 58.70 1w09 h GLN 68 Cb 0.80 0.02 -0.03 0.00 0.08 0.00 0.00 27.48 28.35 1w09 h GLN 68 CO 0.07 0.86 0.37 0.93 0.09 0.00 0.00 178.83 181.14 1w09 h GLU 69 N -0.67 1.00 -0.05 0.06 5.08 -1.08 0.32 114.58 119.24 1w09 h GLU 69 Ca -0.01 -0.13 -0.01 0.00 -1.00 0.00 0.00 59.36 58.20 1w09 h GLU 69 Cb 0.90 -0.19 -0.00 0.00 0.50 0.00 0.00 28.75 29.96 1w09 h GLU 69 CO 0.02 0.77 -0.00 1.25 -1.00 0.00 0.00 179.01 180.05 1w09 h LEU 70 N 0.98 0.09 -0.75 1.33 5.85 -1.06 0.42 115.31 122.18 1w09 h LEU 70 Ca 0.25 -0.33 0.08 0.00 0.84 0.00 0.00 57.88 58.71 1w09 h LEU 70 Cb 0.08 -0.03 -0.07 0.00 0.37 0.00 0.00 40.66 41.02 1w09 h LEU 70 CO -0.04 0.41 0.41 -0.09 -0.34 0.00 0.00 178.44 178.79 1w09 h ARG 71 N -0.22 0.70 -0.36 1.25 1.12 -0.88 0.20 114.38 116.20 1w09 h ARG 71 Ca 0.01 -0.04 -0.14 0.00 -1.11 0.00 0.00 59.98 58.71 1w09 h ARG 71 Cb 0.36 -0.16 -0.01 0.00 -0.01 0.00 0.00 29.97 30.15 1w09 h ARG 71 CO 0.00 0.47 -0.30 0.37 -3.11 0.00 0.00 179.97 177.40 1w09 h GLN 72 N 0.73 0.84 -0.96 0.20 4.15 -0.23 -1.79 115.11 118.05 1w09 h GLN 72 Ca 0.35 -0.42 0.04 0.00 0.77 0.00 0.00 58.65 59.39 1w09 h GLN 72 Cb 0.29 0.00 -0.06 0.00 0.21 0.00 0.00 27.48 27.93 1w09 h GLN 72 CO -0.22 1.06 0.63 1.49 -1.93 0.00 0.00 178.83 179.86 1w09 h GLU 73 N 0.64 1.16 -0.23 1.69 4.57 0.98 -1.33 114.58 122.07 1w09 h GLU 73 Ca 0.06 -0.07 -0.06 0.00 -1.18 0.00 0.00 59.36 58.12 1w09 h GLU 73 Cb 0.88 -0.26 -0.01 0.00 -0.16 0.00 0.00 28.75 29.20 1w09 h GLU 73 CO 0.08 0.77 -0.09 -0.07 -1.18 0.00 0.00 179.01 178.52 1w09 h LEU 74 N 1.20 0.47 -1.29 1.64 3.38 -0.51 0.14 115.31 120.34 1w09 h LEU 74 Ca 0.38 -0.39 0.18 0.00 0.09 0.00 0.00 57.88 58.14 1w09 h LEU 74 Cb 0.03 -0.13 -0.08 0.00 0.09 0.00 0.00 40.66 40.57 1w09 h LEU 74 CO -0.12 0.75 0.60 0.78 0.09 0.00 0.00 178.44 180.54 1w09 h ASN 75 N 0.17 0.61 0.00 -0.43 2.35 -0.54 0.49 115.58 118.24 1w09 h ASN 75 Ca 0.05 0.06 -0.02 0.00 -0.55 0.00 0.00 56.30 55.84 1w09 h ASN 75 Cb 0.57 -0.06 -0.00 0.00 0.05 0.00 0.00 38.32 38.88 1w09 h ASN 75 CO 0.03 0.26 -0.10 0.71 -1.65 0.00 0.00 177.43 176.68 1w09 h THR 76 N 0.62 1.62 -0.62 2.81 1.35 -1.09 -3.20 112.91 114.39 1w09 h THR 76 Ca 0.50 -2.26 0.06 0.00 -0.55 0.00 0.00 66.41 64.16 1w09 h THR 76 Cb 0.93 3.10 -0.04 0.00 -1.73 0.00 0.00 68.15 70.42 1w09 h THR 76 CO -0.24 0.55 0.41 -0.07 -0.25 0.00 0.00 175.52 175.91 1w09 h LEU 77 N -1.00 0.54 -0.44 3.87 3.38 -0.12 -2.28 115.31 119.26 1w09 h LEU 77 Ca -0.03 0.00 -0.17 0.00 0.09 0.00 0.00 57.88 57.78 1w09 h LEU 77 Cb 0.97 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 41.58 1w09 h LEU 77 CO -0.02 0.35 -0.78 0.00 0.09 0.00 0.00 178.44 178.09 1w09 h ALA 78 N 1.66 0.70 -0.43 1.53 0.00 -0.17 -3.29 119.26 119.27 1w09 h ALA 78 Ca 0.26 -0.69 0.09 0.00 0.00 0.00 0.00 54.91 54.57 1w09 h ALA 78 Cb 0.26 -0.11 -0.08 0.00 0.00 0.00 0.00 17.79 17.86 1w09 h ALA 78 CO -0.08 0.92 -0.10 -0.91 0.00 0.00 0.00 179.25 179.08 1w09 h ASN 79 N 0.04 -0.39 0.11 0.00 2.35 -1.40 0.23 115.58 116.52 1w09 h ASN 79 Ca -0.02 0.13 -0.12 0.00 -0.55 0.00 0.00 56.30 55.74 1w09 h ASN 79 Cb 1.37 0.26 -0.01 0.00 0.05 0.00 0.00 38.32 39.99 1w09 h ASN 79 CO 0.11 -0.14 -0.42 1.55 -1.65 0.00 0.00 177.43 176.88 1w09 h PRO 80 N 0.00 0.40 0.26 0.81 0.13 -1.66 -2.16 132.00 129.78 1w09 h PRO 80 Ca 0.20 -0.20 -0.01 0.00 -0.87 0.00 0.00 66.00 65.12 1w09 h PRO 80 Cb 0.31 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.45 1w09 h PRO 80 CO -0.44 0.75 -0.12 0.35 -0.23 0.00 0.00 178.00 178.31 1w09 h PHE 81 N 0.33 -0.32 0.00 1.56 3.57 -1.46 -1.85 116.94 118.77 1w09 h PHE 81 Ca 0.03 -0.01 -0.00 0.00 3.53 0.00 0.00 57.97 61.52 1w09 h PHE 81 Cb 0.88 0.11 -0.00 0.00 2.79 0.00 0.00 35.95 39.72 1w09 h PHE 81 CO 0.03 0.02 -0.02 -0.07 -2.23 0.00 0.00 178.31 176.03 1w09 h LEU 82 N -0.69 0.00 -0.26 0.59 3.38 -1.01 -1.68 115.31 115.63 1w09 h LEU 82 Ca -0.04 0.00 -0.12 0.00 0.09 0.00 0.00 57.88 57.81 1w09 h LEU 82 Cb 0.48 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.22 1w09 h LEU 82 CO 0.06 0.02 -0.32 0.00 0.09 0.00 0.00 178.44 178.29 1w09 h ALA 83 N 1.98 0.39 -0.51 1.53 0.00 -1.19 0.38 119.26 121.84 1w09 h ALA 83 Ca -0.00 -0.42 -0.05 0.00 0.00 0.00 0.00 54.91 54.44 1w09 h ALA 83 Cb 0.05 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.74 1w09 h ALA 83 CO 0.00 0.43 0.12 0.87 0.00 0.00 0.00 179.25 180.67 1w09 h LYS 84 N 0.41 0.81 -0.15 0.00 1.79 -0.48 -1.22 116.57 117.74 1w09 h LYS 84 Ca 0.03 -0.20 -0.15 0.00 -2.18 0.00 0.00 60.65 58.15 1w09 h LYS 84 Cb 0.90 -0.10 0.01 0.00 -1.58 0.00 0.00 32.23 31.45 1w09 h LYS 84 CO 0.08 0.79 -0.51 -0.92 -1.08 0.00 0.00 179.45 177.81 1w09 h TYR 85 N 0.70 0.80 -0.55 -1.35 3.20 -1.31 -0.93 116.97 117.53 1w09 h TYR 85 Ca 0.16 -0.33 0.01 0.00 3.14 0.00 0.00 58.73 61.71 1w09 h TYR 85 Cb 0.34 -0.13 -0.03 0.00 1.54 0.00 0.00 36.73 38.45 1w09 h TYR 85 CO 0.02 1.11 0.37 0.07 -1.64 0.00 0.00 178.16 178.09 1w09 h ARG 86 N 0.26 0.71 -0.11 1.82 0.11 -0.18 0.43 114.38 117.43 1w09 h ARG 86 Ca -0.02 -0.04 -0.17 0.00 0.10 0.00 0.00 59.98 59.84 1w09 h ARG 86 Cb 1.13 -0.16 -0.01 0.00 1.11 0.00 0.00 29.97 32.05 1w09 h ARG 86 CO 0.11 0.47 -0.66 -0.44 0.10 0.00 0.00 179.97 179.55 1w09 h ASP 87 N 0.73 0.52 0.57 0.08 5.19 -1.14 -1.82 116.42 120.55 1w09 h ASP 87 Ca 0.21 -0.31 -0.09 0.00 -0.62 0.00 0.00 57.03 56.21 1w09 h ASP 87 Cb -0.06 -0.15 -0.01 0.00 0.18 0.00 0.00 39.33 39.28 1w09 h ASP 87 CO -0.05 1.03 -0.42 0.15 -3.12 0.00 0.00 179.24 176.84 1w09 h PHE 88 N 0.32 0.00 0.07 4.55 3.57 0.42 0.37 116.94 126.24 1w09 h PHE 88 Ca -0.02 0.00 -0.14 0.00 3.53 0.00 0.00 57.97 61.34 1w09 h PHE 88 Cb 1.22 0.00 0.01 0.00 2.79 0.00 0.00 35.95 39.97 1w09 h PHE 88 CO 0.04 0.42 -0.58 -0.07 -2.23 0.00 0.00 178.31 175.89 1w09 h LEU 89 N 0.00 0.40 -0.43 0.59 -0.00 -0.05 -1.10 115.31 114.72 1w09 h LEU 89 Ca -0.00 -0.88 -0.18 0.00 -0.00 0.00 0.00 57.88 56.82 1w09 h LEU 89 Cb 0.82 -0.13 -0.00 0.00 -0.00 0.00 0.00 40.66 41.35 1w09 h LEU 89 CO 0.05 1.24 -0.68 0.07 -0.00 0.00 0.00 178.44 179.12 1w09 h LYS 90 N -0.39 0.46 -0.00 1.13 2.10 -1.28 -3.03 116.57 115.56 1w09 h LYS 90 Ca -0.09 -0.35 0.00 0.00 -2.00 0.00 0.00 60.65 58.21 1w09 h LYS 90 Cb 1.39 0.06 0.00 0.00 -0.90 0.00 0.00 32.23 32.78 1w09 h LYS 90 CO 0.11 0.98 -0.23 0.43 -2.00 0.00 0.00 179.45 178.74 1w09 n SER 91 N -3.88 0.55 -4.58 7.07 7.64 0.13 -4.86 113.62 115.69 1w09 n SER 91 Ca -0.04 -0.42 -0.44 0.00 1.01 0.00 0.00 58.87 58.98 1w09 n SER 91 Cb 0.68 0.00 -0.04 0.00 -1.01 0.00 0.00 64.21 63.85 1w09 n SER 91 CO 0.00 0.00 0.00 1.57 -3.01 0.00 0.00 175.04 173.60 1w09 n HIS 92 N -1.10 1.92 -4.04 1.43 -0.00 -0.42 -4.94 115.22 108.08 1w09 n HIS 92 Ca 0.11 -0.08 -0.32 0.00 0.46 0.00 0.00 57.72 57.89 1w09 n HIS 92 Cb 0.32 -2.71 -0.15 0.00 -0.12 0.00 0.00 29.99 27.33 1w09 n HIS 92 CO 0.00 0.00 0.00 -1.21 0.46 0.00 0.00 176.34 175.59 1w09 s GLU 93 N 6.33 2.10 0.00 1.57 2.02 -1.26 -5.02 118.70 124.44 1w09 s GLU 93 Ca 1.02 -1.27 0.00 0.00 0.02 0.00 0.00 54.97 54.74 1w09 s GLU 93 Cb -0.40 -2.83 0.00 0.00 0.10 0.00 0.00 34.13 31.00 1w09 s GLU 93 CO 0.37 -0.58 0.00 1.28 0.02 0.00 0.00 175.26 176.35