#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wf6 s SER 2 N 0.00 6.42 -0.30 1.61 1.04 -1.26 -5.04 113.70 116.16 1wf6 s SER 2 Ca 0.00 1.23 -0.11 0.00 0.48 0.00 0.00 55.95 57.55 1wf6 s SER 2 Cb 0.00 -2.37 0.18 0.00 0.10 0.00 0.00 66.02 63.92 1wf6 s SER 2 CO 0.00 -0.58 0.93 -0.55 0.98 0.00 0.00 173.24 174.02 1wf6 s SER 3 N -3.58 -0.70 0.00 7.02 0.15 -1.26 -5.10 113.70 110.23 1wf6 s SER 3 Ca 0.53 0.58 0.00 0.00 0.70 0.00 0.00 55.95 57.76 1wf6 s SER 3 Cb -0.10 1.64 0.00 0.00 -1.71 0.00 0.00 66.02 65.85 1wf6 s SER 3 CO 0.39 -0.13 0.00 0.61 1.20 0.00 0.00 173.24 175.31 1wf6 n GLY 4 N 5.32 0.99 1.49 9.45 0.00 -1.26 -3.16 105.19 118.01 1wf6 n GLY 4 Ca -0.06 -0.78 0.00 0.00 0.00 0.00 0.00 46.02 45.17 1wf6 n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1wf6 n SER 5 N 0.00 0.45 -3.60 1.61 7.64 -1.26 -4.83 113.62 113.62 1wf6 n SER 5 Ca 0.00 0.27 -0.07 0.00 1.01 0.00 0.00 58.87 60.08 1wf6 n SER 5 Cb 0.00 0.01 -0.05 0.00 -1.01 0.00 0.00 64.21 63.17 1wf6 n SER 5 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 1wf6 s SER 6 N -5.47 -0.23 0.00 6.43 1.04 -1.26 -4.83 113.70 109.38 1wf6 s SER 6 Ca 0.00 0.24 0.00 0.00 0.48 0.00 0.00 55.95 56.67 1wf6 s SER 6 Cb 0.00 0.19 0.00 0.00 0.10 0.00 0.00 66.02 66.31 1wf6 s SER 6 CO 0.00 -0.22 0.00 0.61 0.98 0.00 0.00 173.24 174.61 1wf6 n GLY 7 N 0.61 -1.07 2.49 7.32 0.00 -1.26 -5.06 105.19 108.22 1wf6 n GLY 7 Ca -0.06 -2.12 -0.00 0.00 0.00 0.00 0.00 46.02 43.84 1wf6 n GLY 7 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1wf6 n SER 8 N 0.00 -6.67 -1.80 1.61 2.88 -1.26 -4.82 113.62 103.55 1wf6 n SER 8 Ca 0.00 1.17 0.00 0.00 -1.33 0.00 0.00 58.87 58.71 1wf6 n SER 8 Cb 0.00 -4.55 0.00 0.00 -0.75 0.00 0.00 64.21 58.91 1wf6 n SER 8 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 1wf6 n GLU 9 N 0.61 -4.98 0.11 -1.46 1.02 -1.26 -4.96 120.64 109.73 1wf6 n GLU 9 Ca -0.01 3.58 0.00 0.00 -0.02 0.00 0.00 57.16 60.71 1wf6 n GLU 9 Cb 0.02 -3.90 0.00 0.00 -0.02 0.00 0.00 31.44 27.54 1wf6 n GLU 9 CO 0.00 0.00 0.00 0.43 1.18 0.00 0.00 177.13 178.74 1wf6 n SER 10 N 0.82 -1.97 -4.09 1.62 7.64 -1.26 -5.13 113.62 111.26 1wf6 n SER 10 Ca 0.00 0.64 -0.36 0.00 1.01 0.00 0.00 58.87 60.16 1wf6 n SER 10 Cb 0.00 2.06 0.06 0.00 -1.01 0.00 0.00 64.21 65.32 1wf6 n SER 10 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1wf6 n ILE 11 N -3.12 0.00 -3.80 0.44 3.06 -1.26 -5.01 119.36 109.66 1wf6 n ILE 11 Ca 0.00 -0.34 -0.12 0.00 -2.50 0.00 0.00 62.75 59.80 1wf6 n ILE 11 Cb 0.00 -0.15 -0.08 0.00 0.54 0.00 0.00 39.64 39.95 1wf6 n ILE 11 CO 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 176.55 174.05 1wf6 s ASN 13 N -1.79 4.33 -0.14 0.00 0.01 -1.26 -5.11 114.94 110.98 1wf6 s ASN 13 Ca -0.09 -0.13 -0.05 0.00 -0.71 0.00 0.00 52.86 51.89 1wf6 s ASN 13 Cb -0.03 -0.99 -0.03 0.00 0.41 0.00 0.00 41.25 40.60 1wf6 s ASN 13 CO -0.01 0.34 0.02 -0.94 -1.51 0.00 0.00 177.10 175.00 1wf6 s SER 14 N -0.87 5.29 -0.29 -1.22 1.04 -1.26 -5.02 113.70 111.37 1wf6 s SER 14 Ca 0.13 0.06 -0.19 0.00 0.48 0.00 0.00 55.95 56.42 1wf6 s SER 14 Cb -0.11 -1.76 0.18 0.00 0.10 0.00 0.00 66.02 64.43 1wf6 s SER 14 CO 0.02 0.25 1.19 -0.76 0.98 0.00 0.00 173.24 174.92 1wf6 s LEU 15 N -0.09 -0.23 -0.75 2.42 1.43 -1.26 -5.10 118.68 115.10 1wf6 s LEU 15 Ca 0.05 0.39 -0.18 0.00 -1.03 0.00 0.00 54.13 53.35 1wf6 s LEU 15 Cb -0.13 1.37 0.14 0.00 0.03 0.00 0.00 46.19 47.60 1wf6 s LEU 15 CO 0.02 -0.06 0.85 0.21 0.23 0.00 0.00 176.35 177.60 1wf6 s ASN 16 N 0.83 6.44 -0.29 2.29 3.84 -1.26 -4.94 114.94 121.86 1wf6 s ASN 16 Ca -0.04 -1.87 -0.22 0.00 0.21 0.00 0.00 52.86 50.94 1wf6 s ASN 16 Cb -0.03 -2.32 0.13 0.00 -0.55 0.00 0.00 41.25 38.48 1wf6 s ASN 16 CO -0.12 -1.00 1.02 -0.44 -2.79 0.00 0.00 177.10 173.78 1wf6 s SER 17 N 3.31 -0.46 0.23 -4.21 0.01 -1.26 -5.14 113.70 106.18 1wf6 s SER 17 Ca 0.20 0.83 -0.28 0.00 1.31 0.00 0.00 55.95 58.00 1wf6 s SER 17 Cb -0.15 0.97 -0.16 0.00 0.21 0.00 0.00 66.02 66.89 1wf6 s SER 17 CO -0.02 -0.14 0.69 0.29 0.41 0.00 0.00 173.24 174.48 1wf6 n LYS 18 N 2.77 0.48 -3.94 12.44 5.02 -1.26 -4.87 118.16 128.79 1wf6 n LYS 18 Ca -0.15 0.17 -0.11 0.00 -2.02 0.00 0.00 58.31 56.20 1wf6 n LYS 18 Cb 0.57 -1.30 -0.01 0.00 -0.02 0.00 0.00 35.03 34.26 1wf6 n LYS 18 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1wf6 s LEU 19 N 2.10 0.38 0.86 -0.35 1.43 -1.22 -5.12 118.68 116.77 1wf6 s LEU 19 Ca 0.62 -1.18 -0.13 0.00 -1.03 0.00 0.00 54.13 52.41 1wf6 s LEU 19 Cb -0.85 2.19 0.07 0.00 0.03 0.00 0.00 46.19 47.64 1wf6 s LEU 19 CO 0.57 -1.44 0.89 -0.62 0.23 0.00 0.00 176.35 175.98 1wf6 n GLU 20 N -0.51 -0.08 -0.86 1.70 -0.58 -1.26 -4.79 120.64 114.25 1wf6 n GLU 20 Ca -0.04 0.04 -0.19 0.00 -0.42 0.00 0.00 57.16 56.55 1wf6 n GLU 20 Cb 0.61 -2.19 -0.08 0.00 -0.57 0.00 0.00 31.44 29.21 1wf6 n GLU 20 CO 0.00 0.00 0.00 -0.35 -0.48 0.00 0.00 177.13 176.30 1wf6 n PRO 21 N -2.76 2.13 -3.62 3.49 -0.04 -1.26 -4.64 135.00 128.30 1wf6 n PRO 21 Ca 0.11 -1.25 -0.20 0.00 -0.04 0.00 0.00 63.50 62.12 1wf6 n PRO 21 Cb 0.52 -2.23 -0.02 0.00 -0.04 0.00 0.00 33.50 31.72 1wf6 n PRO 21 CO 0.00 0.00 0.00 0.95 -0.04 0.00 0.00 175.50 176.41 1wf6 s THR 22 N 2.18 3.79 0.07 0.52 -4.23 -1.25 -4.74 115.64 111.97 1wf6 s THR 22 Ca 0.51 -1.17 -0.34 0.00 -1.18 0.00 0.00 61.69 59.51 1wf6 s THR 22 Cb 0.19 -3.30 -0.19 0.00 1.34 0.00 0.00 72.50 70.54 1wf6 s THR 22 CO -0.02 -0.16 1.61 0.25 -0.54 0.00 0.00 174.62 175.76 1wf6 h LEU 23 N 1.06 -0.91 -1.57 4.79 7.12 -1.94 -1.04 115.31 122.82 1wf6 h LEU 23 Ca -0.45 0.04 0.08 0.00 0.13 0.00 0.00 57.88 57.68 1wf6 h LEU 23 Cb 1.26 0.24 -0.01 0.00 -0.53 0.00 0.00 40.66 41.62 1wf6 h LEU 23 CO 0.55 -0.62 0.59 -0.08 -0.13 0.00 0.00 178.44 178.75 1wf6 h GLU 24 N -1.02 0.00 -2.25 1.25 4.22 -1.96 0.02 114.58 114.84 1wf6 h GLU 24 Ca -0.10 0.00 -0.58 0.00 0.08 0.00 0.00 59.36 58.76 1wf6 h GLU 24 Cb 0.79 0.00 -0.42 0.00 0.50 0.00 0.00 28.75 29.62 1wf6 h GLU 24 CO 0.15 0.00 -0.68 0.09 -2.18 0.00 0.00 179.01 176.39 1wf6 n ASN 25 N -3.15 4.09 -0.09 1.04 3.02 -0.43 -4.78 115.26 114.97 1wf6 n ASN 25 Ca 0.05 -3.60 -0.23 0.00 -0.03 0.00 0.00 54.58 50.77 1wf6 n ASN 25 Cb 0.71 -0.58 -0.12 0.00 -0.61 0.00 0.00 39.78 39.18 1wf6 n ASN 25 CO 0.00 0.00 0.00 -0.11 -2.62 0.00 0.00 177.26 174.53 1wf6 n LEU 26 N -0.06 2.21 0.20 3.41 0.00 -0.01 -3.60 117.00 119.15 1wf6 n LEU 26 Ca 0.30 0.29 0.13 0.00 0.00 0.00 0.00 56.01 56.73 1wf6 n LEU 26 Cb 0.41 -0.97 0.72 0.00 0.00 0.00 0.00 43.42 43.58 1wf6 n LEU 26 CO 0.34 0.57 1.12 -0.33 0.00 0.00 0.00 177.39 179.08 1wf6 h GLU 27 N -0.61 0.00 -1.02 1.96 5.08 -1.86 -0.53 114.58 117.59 1wf6 h GLU 27 Ca -0.47 0.00 -0.62 0.00 -1.00 0.00 0.00 59.36 57.27 1wf6 h GLU 27 Cb 1.63 0.00 -0.37 0.00 0.50 0.00 0.00 28.75 30.51 1wf6 h GLU 27 CO -0.16 0.00 -0.07 0.09 -1.00 0.00 0.00 179.01 177.86 1wf6 n ASN 28 N -4.30 6.07 -4.94 1.42 3.02 -1.26 -4.96 115.26 110.32 1wf6 n ASN 28 Ca 0.01 -3.77 -0.26 0.00 -0.03 0.00 0.00 54.58 50.53 1wf6 n ASN 28 Cb 0.24 -0.63 -0.03 0.00 -0.61 0.00 0.00 39.78 38.75 1wf6 n ASN 28 CO 0.00 0.00 0.00 -0.22 -2.62 0.00 0.00 177.26 174.42 1wf6 s LEU 29 N -3.71 4.31 -0.67 3.41 2.96 -0.21 -3.38 118.68 121.40 1wf6 s LEU 29 Ca 0.56 0.16 0.04 0.00 -0.22 0.00 0.00 54.13 54.66 1wf6 s LEU 29 Cb 0.45 -2.88 0.16 0.00 0.50 0.00 0.00 46.19 44.41 1wf6 s LEU 29 CO -0.04 0.06 0.45 -0.62 -1.32 0.00 0.00 176.35 174.88 1wf6 s ASP 30 N -3.21 4.81 0.62 3.68 -1.08 -1.26 -4.90 116.67 115.32 1wf6 s ASP 30 Ca 0.34 -3.58 0.29 0.00 -0.52 0.00 0.00 52.55 49.08 1wf6 s ASP 30 Cb -0.11 -1.67 1.52 0.00 -1.46 0.00 0.00 42.92 41.19 1wf6 s ASP 30 CO 0.28 -0.14 1.90 1.62 0.52 0.00 0.00 175.17 179.35 1wf6 h VAL 31 N 4.70 0.25 -0.24 1.11 3.04 -1.96 1.32 116.25 124.47 1wf6 h VAL 31 Ca 0.08 0.00 -0.01 0.00 -1.01 0.00 0.00 66.70 65.76 1wf6 h VAL 31 Cb 0.80 0.64 -0.01 0.00 -2.01 0.00 0.00 31.29 30.71 1wf6 h VAL 31 CO 0.72 0.00 0.01 -1.20 -1.01 0.00 0.00 177.57 176.10 1wf6 n SER 32 N -3.43 2.94 -0.09 3.17 7.64 -1.26 -3.64 113.62 118.94 1wf6 n SER 32 Ca 0.04 -2.39 -0.15 0.00 1.01 0.00 0.00 58.87 57.38 1wf6 n SER 32 Cb 0.56 -0.58 -0.08 0.00 -1.01 0.00 0.00 64.21 63.10 1wf6 n SER 32 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1wf6 n ALA 33 N 0.23 1.64 -1.68 -0.43 0.00 0.45 -4.96 120.51 115.76 1wf6 n ALA 33 Ca 0.12 -0.79 -0.48 0.00 0.00 0.00 0.00 53.44 52.29 1wf6 n ALA 33 Cb 0.65 0.12 -0.05 0.00 0.00 0.00 0.00 19.45 20.18 1wf6 n ALA 33 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 1wf6 n PHE 34 N -3.28 2.33 1.74 0.00 3.72 -1.24 -4.82 117.46 115.92 1wf6 n PHE 34 Ca -0.34 0.01 0.15 0.00 -0.05 0.00 0.00 57.45 57.21 1wf6 n PHE 34 Cb 0.83 -2.66 0.85 0.00 -0.94 0.00 0.00 39.48 37.56 1wf6 n PHE 34 CO 0.00 0.00 0.00 1.04 -0.05 0.00 0.00 176.76 177.75 1wf6 n GLN 35 N 6.38 0.78 -0.93 -1.08 1.13 -1.26 -4.90 117.38 117.50 1wf6 n GLN 35 Ca 0.22 0.00 -0.36 0.00 -1.94 0.00 0.00 57.00 54.92 1wf6 n GLN 35 Cb 0.30 -1.50 0.06 0.00 0.11 0.00 0.00 30.24 29.21 1wf6 n GLN 35 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1wf6 n ALA 36 N -1.10 -5.05 -1.60 -1.58 0.00 -1.20 -4.91 120.51 105.08 1wf6 n ALA 36 Ca 0.20 -0.99 -0.31 0.00 0.00 0.00 0.00 53.44 52.33 1wf6 n ALA 36 Cb 0.15 -1.16 0.04 0.00 0.00 0.00 0.00 19.45 18.48 1wf6 n ALA 36 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1wf6 s PRO 37 N -2.41 3.04 0.00 0.00 0.04 -1.26 -4.93 135.00 129.48 1wf6 s PRO 37 Ca 0.43 1.01 0.25 0.00 0.04 0.00 0.00 61.00 62.72 1wf6 s PRO 37 Cb -0.08 -2.00 1.49 0.00 0.04 0.00 0.00 34.50 33.95 1wf6 s PRO 37 CO 0.73 -1.02 1.91 0.39 0.04 0.00 0.00 177.00 179.05 1wf6 n GLU 38 N -2.87 0.91 -0.21 4.56 1.02 -1.26 -2.43 120.64 120.37 1wf6 n GLU 38 Ca 0.08 0.00 0.06 0.00 -0.02 0.00 0.00 57.16 57.28 1wf6 n GLU 38 Cb 0.53 -1.43 0.09 0.00 -0.02 0.00 0.00 31.44 30.61 1wf6 n GLU 38 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 1wf6 n ASP 39 N -0.93 1.53 -0.37 1.62 9.92 -1.15 -3.36 116.55 123.81 1wf6 n ASP 39 Ca 0.19 -2.67 -0.11 0.00 -0.53 0.00 0.00 54.79 51.67 1wf6 n ASP 39 Cb 0.09 -0.33 -0.10 0.00 -0.64 0.00 0.00 41.12 40.13 1wf6 n ASP 39 CO 0.00 0.00 0.00 0.25 0.13 0.00 0.00 177.20 177.58 1wf6 h LEU 40 N 0.00 -2.11 -6.45 0.64 5.85 0.20 -0.32 115.31 113.12 1wf6 h LEU 40 Ca 0.00 0.32 -0.80 0.00 0.84 0.00 0.00 57.88 58.24 1wf6 h LEU 40 Cb 1.12 0.92 -0.28 0.00 0.37 0.00 0.00 40.66 42.79 1wf6 h LEU 40 CO 0.00 -0.26 0.88 0.18 -0.34 0.00 0.00 178.44 178.90 1wf6 n LEU 41 N -5.27 6.90 -4.68 2.25 4.77 0.46 -4.82 117.00 116.61 1wf6 n LEU 41 Ca 0.01 -5.34 -0.43 0.00 -0.03 0.00 0.00 56.01 50.23 1wf6 n LEU 41 Cb 0.28 -1.18 -0.02 0.00 -2.33 0.00 0.00 43.42 40.16 1wf6 n LEU 41 CO -0.13 1.94 1.01 -0.62 -1.33 0.00 0.00 177.39 178.25 1wf6 s ASP 42 N -1.59 7.00 -1.46 -1.43 2.15 -0.13 0.40 116.67 121.60 1wf6 s ASP 42 Ca 0.36 1.79 -0.08 0.00 0.43 0.00 0.00 52.55 55.05 1wf6 s ASP 42 Cb 0.14 -2.55 0.02 0.00 -0.30 0.00 0.00 42.92 40.23 1wf6 s ASP 42 CO -0.04 -0.65 0.86 0.61 -0.17 0.00 0.00 175.17 175.77 1wf6 n GLY 43 N 3.47 -0.53 2.98 2.66 0.00 -1.26 -4.97 105.19 107.55 1wf6 n GLY 43 Ca 0.12 0.18 -0.31 0.00 0.00 0.00 0.00 46.02 46.02 1wf6 n GLY 43 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wf6 s ARG 45 N 1.28 4.29 0.08 0.00 0.52 -1.26 -1.29 118.95 122.57 1wf6 s ARG 45 Ca -0.07 0.68 0.07 0.00 -0.52 0.00 0.00 55.73 55.90 1wf6 s ARG 45 Cb -0.19 -3.52 -0.03 0.00 0.52 0.00 0.00 34.95 31.72 1wf6 s ARG 45 CO -0.06 -0.11 -0.20 0.42 0.02 0.00 0.00 175.30 175.37 1wf6 s ILE 46 N 1.47 1.59 -0.22 1.52 1.09 0.15 0.28 121.20 127.08 1wf6 s ILE 46 Ca 0.31 -1.38 -0.02 0.00 -1.10 0.00 0.00 60.65 58.46 1wf6 s ILE 46 Cb -0.16 -1.43 0.01 0.00 -1.06 0.00 0.00 42.46 39.81 1wf6 s ILE 46 CO 0.12 0.00 -0.08 -0.47 -0.10 0.00 0.00 174.94 174.41 1wf6 s TYR 47 N -1.04 2.93 -0.19 3.97 5.04 0.30 0.36 117.35 128.72 1wf6 s TYR 47 Ca 0.05 -1.23 -0.27 0.00 -2.44 0.00 0.00 57.07 53.18 1wf6 s TYR 47 Cb -0.09 -2.05 -0.00 0.00 0.35 0.00 0.00 41.96 40.16 1wf6 s TYR 47 CO 0.03 -0.65 0.94 -0.51 -1.34 0.00 0.00 175.55 174.02 1wf6 s LEU 48 N 1.40 4.14 0.07 6.97 1.43 -1.25 -1.78 118.68 129.67 1wf6 s LEU 48 Ca 0.05 1.29 0.06 0.00 -1.03 0.00 0.00 54.13 54.49 1wf6 s LEU 48 Cb -0.14 -3.39 -0.03 0.00 0.03 0.00 0.00 46.19 42.65 1wf6 s LEU 48 CO -0.06 -0.53 -0.16 0.00 0.23 0.00 0.00 176.35 175.83 1wf6 n GLY 50 N 1.38 -0.54 2.72 0.00 0.00 -1.25 -2.24 105.19 105.26 1wf6 n GLY 50 Ca -0.20 0.20 -0.22 0.00 0.00 0.00 0.00 46.02 45.80 1wf6 n GLY 50 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1wf6 s PHE 51 N -3.25 0.42 0.07 1.61 0.08 -1.26 -3.41 117.98 112.23 1wf6 s PHE 51 Ca 0.48 -0.03 0.00 0.00 0.12 0.00 0.00 56.93 57.50 1wf6 s PHE 51 Cb -0.21 -0.68 0.00 0.00 -0.57 0.00 0.00 43.02 41.56 1wf6 s PHE 51 CO 0.59 -0.29 0.00 0.45 -0.10 0.00 0.00 175.22 175.87 1wf6 n SER 52 N 5.21 0.17 -3.03 1.36 2.88 -1.26 -4.64 113.62 114.31 1wf6 n SER 52 Ca -0.05 0.12 -0.02 0.00 -1.33 0.00 0.00 58.87 57.59 1wf6 n SER 52 Cb 0.50 0.02 0.02 0.00 -0.75 0.00 0.00 64.21 63.99 1wf6 n SER 52 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1wf6 n GLY 53 N 2.50 -2.46 0.44 0.46 0.00 -1.26 -4.07 105.19 100.80 1wf6 n GLY 53 Ca 0.00 -0.81 0.38 0.00 0.00 0.00 0.00 46.02 45.59 1wf6 n GLY 53 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1wf6 n ARG 54 N -1.43 -0.04 -0.33 1.61 1.74 -1.26 0.91 116.66 117.87 1wf6 n ARG 54 Ca 0.01 1.20 0.03 0.00 -0.77 0.00 0.00 57.85 58.32 1wf6 n ARG 54 Cb 0.03 -2.35 0.10 0.00 -1.02 0.00 0.00 32.46 29.22 1wf6 n ARG 54 CO 0.00 0.00 0.00 0.87 -1.52 0.00 0.00 177.63 176.98 1wf6 h LYS 55 N 0.00 -0.01 0.77 5.56 1.57 -1.84 0.70 116.57 123.31 1wf6 h LYS 55 Ca 0.84 0.00 -0.04 0.00 -1.87 0.00 0.00 60.65 59.58 1wf6 h LYS 55 Cb 2.67 0.00 0.01 0.00 0.08 0.00 0.00 32.23 34.99 1wf6 h LYS 55 CO -0.46 -0.01 -0.37 1.25 -0.57 0.00 0.00 179.45 179.30 1wf6 h LEU 56 N -0.01 -0.87 -0.96 2.94 5.85 0.39 -2.50 115.31 120.15 1wf6 h LEU 56 Ca 0.41 0.03 0.18 0.00 0.84 0.00 0.00 57.88 59.34 1wf6 h LEU 56 Cb 0.65 0.23 -0.17 0.00 0.37 0.00 0.00 40.66 41.73 1wf6 h LEU 56 CO -0.93 -0.50 -0.28 -0.67 -0.34 0.00 0.00 178.44 175.72 1wf6 n ASP 57 N -5.46 -0.42 0.00 1.25 2.03 -0.07 -0.09 116.55 113.79 1wf6 n ASP 57 Ca -0.13 1.65 0.00 0.00 0.52 0.00 0.00 54.79 56.84 1wf6 n ASP 57 Cb 0.41 -0.47 0.00 0.00 -0.72 0.00 0.00 41.12 40.34 1wf6 n ASP 57 CO 0.00 0.00 0.00 0.29 -1.92 0.00 0.00 177.20 175.57 1wf6 n LYS 58 N -5.52 0.00 -0.39 -0.67 4.76 0.22 -1.26 118.16 115.30 1wf6 n LYS 58 Ca 0.14 0.70 -0.09 0.00 -2.87 0.00 0.00 58.31 56.19 1wf6 n LYS 58 Cb 0.45 -1.48 -0.07 0.00 -1.84 0.00 0.00 35.03 32.10 1wf6 n LYS 58 CO 0.00 0.00 0.00 -0.07 -1.37 0.00 0.00 177.40 175.96 1wf6 h LEU 59 N 0.00 -1.98 -0.98 -0.35 4.07 -0.54 1.13 115.31 116.66 1wf6 h LEU 59 Ca 0.00 0.32 0.31 0.00 0.08 0.00 0.00 57.88 58.59 1wf6 h LEU 59 Cb 0.00 0.90 -0.18 0.00 1.08 0.00 0.00 40.66 42.46 1wf6 h LEU 59 CO 0.00 -0.26 0.18 0.54 -1.08 0.00 0.00 178.44 177.82 1wf6 n ARG 60 N -5.31 -0.07 -0.02 1.13 1.74 0.86 0.13 116.66 115.12 1wf6 n ARG 60 Ca 0.03 1.43 -0.16 0.00 -0.77 0.00 0.00 57.85 58.38 1wf6 n ARG 60 Cb 0.30 -2.36 -0.09 0.00 -1.02 0.00 0.00 32.46 29.29 1wf6 n ARG 60 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1wf6 h ARG 61 N 0.00 0.55 0.25 5.56 3.08 0.25 -2.82 114.38 121.25 1wf6 h ARG 61 Ca 0.67 -0.46 -0.01 0.00 0.07 0.00 0.00 59.98 60.25 1wf6 h ARG 61 Cb 1.53 0.10 0.00 0.00 0.08 0.00 0.00 29.97 31.68 1wf6 h ARG 61 CO -0.87 1.09 -0.13 -0.07 -1.07 0.00 0.00 179.97 178.92 1wf6 h LEU 62 N 0.15 -0.30 -0.92 3.04 4.07 0.54 0.85 115.31 122.74 1wf6 h LEU 62 Ca -0.04 0.01 0.12 0.00 0.08 0.00 0.00 57.88 58.05 1wf6 h LEU 62 Cb 1.21 0.08 -0.14 0.00 1.08 0.00 0.00 40.66 42.89 1wf6 h LEU 62 CO 0.11 -0.21 -0.42 -0.38 -1.08 0.00 0.00 178.44 176.47 1wf6 n ILE 63 N -2.96 -0.53 -0.19 1.22 5.41 0.29 0.19 119.36 122.79 1wf6 n ILE 63 Ca -0.04 2.17 -0.04 0.00 1.00 0.00 0.00 62.75 65.83 1wf6 n ILE 63 Cb 0.14 -2.81 0.06 0.00 -0.71 0.00 0.00 39.64 36.32 1wf6 n ILE 63 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 176.55 175.42 1wf6 h ASN 64 N 0.00 0.51 -0.23 4.38 -0.73 -1.40 0.34 115.58 118.45 1wf6 h ASN 64 Ca 0.26 0.01 0.02 0.00 1.87 0.00 0.00 56.30 58.47 1wf6 h ASN 64 Cb 0.49 -0.09 -0.01 0.00 0.27 0.00 0.00 38.32 38.98 1wf6 h ASN 64 CO -0.89 0.35 0.16 -1.28 -0.37 0.00 0.00 177.43 175.39 1wf6 h SER 65 N 0.63 0.20 1.62 1.15 0.87 0.94 0.54 113.55 119.50 1wf6 h SER 65 Ca 0.23 -0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.79 1wf6 h SER 65 Cb 0.07 -0.05 0.00 0.00 -0.44 0.00 0.00 62.40 61.98 1wf6 h SER 65 CO -0.12 0.14 -0.36 1.23 -0.53 0.00 0.00 176.83 177.19 1wf6 h GLY 66 N 0.24 0.00 0.00 5.77 0.00 0.32 -3.36 103.07 106.04 1wf6 h GLY 66 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.42 1wf6 h GLY 66 CO -0.02 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.13 1wf6 n GLY 67 N 1.14 1.11 3.69 4.60 0.00 0.10 0.17 105.19 116.01 1wf6 n GLY 67 Ca 0.03 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.74 1wf6 n GLY 67 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1wf6 s GLY 68 N -2.28 1.66 -0.23 -0.02 0.00 0.16 -4.46 107.32 102.16 1wf6 s GLY 68 Ca 0.00 0.34 -0.06 0.00 0.00 0.00 0.00 44.72 45.00 1wf6 s GLY 68 CO 0.00 0.77 0.03 0.14 0.00 0.00 0.00 173.10 174.04 1wf6 s VAL 69 N -2.75 4.05 -0.47 1.40 1.01 -0.41 -3.93 120.40 119.31 1wf6 s VAL 69 Ca 0.65 -0.27 -0.22 0.00 0.00 0.00 0.00 61.98 62.14 1wf6 s VAL 69 Cb -0.21 -2.87 0.03 0.00 0.00 0.00 0.00 36.38 33.34 1wf6 s VAL 69 CO 0.58 0.39 0.76 -0.60 0.00 0.00 0.00 175.10 176.22 1wf6 s ARG 70 N 1.35 3.33 -0.34 2.72 3.52 -1.25 0.30 118.95 128.58 1wf6 s ARG 70 Ca 0.05 -0.27 -0.24 0.00 -0.13 0.00 0.00 55.73 55.13 1wf6 s ARG 70 Cb -0.15 -3.97 0.01 0.00 -1.56 0.00 0.00 34.95 29.28 1wf6 s ARG 70 CO 0.02 -1.16 0.84 -0.06 -0.81 0.00 0.00 175.30 174.13 1wf6 s PHE 71 N 3.20 3.14 -1.14 5.12 0.40 0.16 -4.89 117.98 123.97 1wf6 s PHE 71 Ca 0.27 0.74 0.20 0.00 -0.60 0.00 0.00 56.93 57.53 1wf6 s PHE 71 Cb -0.13 -3.42 0.91 0.00 0.51 0.00 0.00 43.02 40.89 1wf6 s PHE 71 CO 0.20 -0.70 1.64 0.27 0.70 0.00 0.00 175.22 177.33 1wf6 n ASN 72 N 6.46 0.00 -4.10 1.36 6.94 -1.26 -3.86 115.26 120.80 1wf6 n ASN 72 Ca 0.05 0.34 -0.23 0.00 -0.02 0.00 0.00 54.58 54.72 1wf6 n ASN 72 Cb 0.48 -0.43 -0.15 0.00 -2.36 0.00 0.00 39.78 37.32 1wf6 n ASN 72 CO 0.00 0.00 0.00 -1.10 -1.03 0.00 0.00 177.26 175.13 1wf6 s GLN 73 N -2.86 1.27 -0.17 -3.83 -0.21 -1.26 -5.01 119.66 107.59 1wf6 s GLN 73 Ca 0.13 -0.50 -0.29 0.00 0.02 0.00 0.00 55.36 54.71 1wf6 s GLN 73 Cb 0.13 -1.19 -0.01 0.00 1.00 0.00 0.00 33.01 32.95 1wf6 s GLN 73 CO 0.35 0.26 1.21 -1.17 -2.12 0.00 0.00 175.29 173.82 1wf6 s LEU 74 N -0.17 4.18 0.00 2.90 1.98 -1.26 -4.87 118.68 121.44 1wf6 s LEU 74 Ca 0.02 1.64 -0.02 0.00 -2.89 0.00 0.00 54.13 52.89 1wf6 s LEU 74 Cb -0.07 -3.54 0.01 0.00 0.66 0.00 0.00 46.19 43.24 1wf6 s LEU 74 CO 0.00 -0.72 0.22 0.59 -1.89 0.00 0.00 176.35 174.55 1wf6 n ASN 75 N 6.38 -0.63 -0.18 3.68 3.02 -1.26 -4.94 115.26 121.33 1wf6 n ASN 75 Ca 0.13 -1.77 0.04 0.00 -0.03 0.00 0.00 54.58 52.95 1wf6 n ASN 75 Cb 0.45 1.14 0.17 0.00 -0.61 0.00 0.00 39.78 40.93 1wf6 n ASN 75 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 1wf6 n GLU 76 N -0.24 1.23 -0.07 3.52 1.02 -1.26 -3.50 120.64 121.34 1wf6 n GLU 76 Ca -0.00 -0.35 -0.21 0.00 -0.02 0.00 0.00 57.16 56.58 1wf6 n GLU 76 Cb 0.24 -1.14 -0.12 0.00 -0.02 0.00 0.00 31.44 30.40 1wf6 n GLU 76 CO 0.00 0.00 0.00 -0.44 1.18 0.00 0.00 177.13 177.87 1wf6 h ASP 77 N 0.60 0.11 -3.69 1.62 5.19 -1.95 -3.46 116.42 114.85 1wf6 h ASP 77 Ca 0.00 -0.67 -0.53 0.00 -0.62 0.00 0.00 57.03 55.21 1wf6 h ASP 77 Cb 0.14 -0.03 0.09 0.00 0.18 0.00 0.00 39.33 39.70 1wf6 h ASP 77 CO 0.00 1.49 0.79 0.54 -3.12 0.00 0.00 179.24 178.94 1wf6 s VAL 78 N -2.39 2.23 -0.38 -1.35 0.11 -1.23 -4.56 120.40 112.83 1wf6 s VAL 78 Ca -0.26 0.21 0.09 0.00 -2.93 0.00 0.00 61.98 59.10 1wf6 s VAL 78 Cb 0.05 -3.14 -0.11 0.00 -1.53 0.00 0.00 36.38 31.66 1wf6 s VAL 78 CO 0.65 0.04 0.37 0.35 -3.33 0.00 0.00 175.10 173.18 1wf6 n THR 79 N 1.24 0.00 -4.00 5.04 -2.24 0.81 -4.76 114.28 110.38 1wf6 n THR 79 Ca 0.04 -0.27 -0.11 0.00 -2.27 0.00 0.00 64.05 61.43 1wf6 n THR 79 Cb 0.39 0.91 -0.12 0.00 -2.10 0.00 0.00 70.33 69.41 1wf6 n THR 79 CO 0.00 0.00 0.00 -1.00 -0.57 0.00 0.00 175.07 173.50 1wf6 s HIS 80 N -1.97 0.34 -0.39 4.78 3.76 -0.51 -1.48 115.29 119.83 1wf6 s HIS 80 Ca 0.03 -0.41 0.01 0.00 -0.15 0.00 0.00 55.06 54.54 1wf6 s HIS 80 Cb 0.07 -0.23 0.12 0.00 1.11 0.00 0.00 32.58 33.65 1wf6 s HIS 80 CO 0.38 -0.12 0.17 0.08 -0.85 0.00 0.00 174.74 174.40 1wf6 s VAL 81 N -1.11 1.38 -0.70 -0.90 1.01 0.51 0.11 120.40 120.70 1wf6 s VAL 81 Ca -0.11 -2.19 -0.27 0.00 0.00 0.00 0.00 61.98 59.42 1wf6 s VAL 81 Cb -0.08 -1.99 0.01 0.00 0.00 0.00 0.00 36.38 34.32 1wf6 s VAL 81 CO -0.00 -0.79 1.46 -0.63 0.00 0.00 0.00 175.10 175.14 1wf6 s ILE 82 N 0.80 3.61 -0.16 2.22 -1.09 -0.73 -0.82 121.20 125.03 1wf6 s ILE 82 Ca 0.14 0.34 -0.19 0.00 -2.23 0.00 0.00 60.65 58.72 1wf6 s ILE 82 Cb -0.22 -4.61 -0.04 0.00 -1.58 0.00 0.00 42.46 36.01 1wf6 s ILE 82 CO -0.09 -1.56 0.51 -0.69 -1.23 0.00 0.00 174.94 171.88 1wf6 s VAL 83 N 6.78 5.14 -0.23 2.92 1.01 0.51 -2.26 120.40 134.28 1wf6 s VAL 83 Ca 0.45 0.98 -0.16 0.00 0.00 0.00 0.00 61.98 63.25 1wf6 s VAL 83 Cb -0.09 -3.84 -0.12 0.00 0.00 0.00 0.00 36.38 32.32 1wf6 s VAL 83 CO 0.17 0.25 -0.19 0.61 0.00 0.00 0.00 175.10 175.93 1wf6 n GLY 84 N 3.56 -0.61 0.35 4.51 0.00 -0.95 -3.85 105.19 108.20 1wf6 n GLY 84 Ca -0.05 -0.10 -0.23 0.00 0.00 0.00 0.00 46.02 45.63 1wf6 n GLY 84 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1wf6 n ASP 85 N -4.37 1.49 -3.67 1.61 2.03 -1.22 -4.99 116.55 107.43 1wf6 n ASP 85 Ca -0.38 0.25 -0.01 0.00 0.52 0.00 0.00 54.79 55.18 1wf6 n ASP 85 Cb 0.72 -0.62 -0.01 0.00 -0.72 0.00 0.00 41.12 40.49 1wf6 n ASP 85 CO 0.00 0.00 0.00 -0.72 -1.92 0.00 0.00 177.20 174.56 1wf6 s TYR 86 N -2.39 -0.07 -0.62 -0.67 -0.85 -1.26 -5.09 117.35 106.40 1wf6 s TYR 86 Ca -0.29 -0.12 0.04 0.00 -0.52 0.00 0.00 57.07 56.18 1wf6 s TYR 86 Cb 0.11 0.59 0.16 0.00 0.38 0.00 0.00 41.96 43.20 1wf6 s TYR 86 CO 0.37 -0.52 0.41 0.16 -1.52 0.00 0.00 175.55 174.44 1wf6 s ASP 87 N -2.99 4.37 -0.06 -0.18 -4.77 -1.26 -3.94 116.67 107.85 1wf6 s ASP 87 Ca 0.14 -3.50 0.17 0.00 -3.30 0.00 0.00 52.55 46.05 1wf6 s ASP 87 Cb 0.02 -1.51 -0.22 0.00 -1.09 0.00 0.00 42.92 40.13 1wf6 s ASP 87 CO -0.01 -0.14 0.51 0.47 0.70 0.00 0.00 175.17 176.70 1wf6 n ASP 88 N 2.43 0.50 -0.08 2.11 8.00 -1.26 -3.95 116.55 124.31 1wf6 n ASP 88 Ca 0.16 0.23 -0.14 0.00 0.71 0.00 0.00 54.79 55.75 1wf6 n ASP 88 Cb 0.35 0.56 -0.10 0.00 -0.02 0.00 0.00 41.12 41.91 1wf6 n ASP 88 CO 0.00 0.00 0.00 -0.08 -0.39 0.00 0.00 177.20 176.73 1wf6 h GLU 89 N 0.00 0.00 -0.11 -1.24 4.57 -2.01 -3.28 114.58 112.51 1wf6 h GLU 89 Ca -0.30 0.00 0.03 0.00 -1.18 0.00 0.00 59.36 57.91 1wf6 h GLU 89 Cb 1.84 0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 30.43 1wf6 h GLU 89 CO 0.04 0.83 0.45 1.25 -1.18 0.00 0.00 179.01 180.40 1wf6 h LEU 90 N -1.00 0.00 -0.43 1.64 7.12 -1.95 1.21 115.31 121.91 1wf6 h LEU 90 Ca -0.08 0.00 -0.18 0.00 0.13 0.00 0.00 57.88 57.75 1wf6 h LEU 90 Cb 0.92 0.00 -0.00 0.00 -0.53 0.00 0.00 40.66 41.05 1wf6 h LEU 90 CO -0.05 0.00 -0.63 0.11 -0.13 0.00 0.00 178.44 177.74 1wf6 h LYS 91 N 0.00 0.56 -0.54 1.25 1.57 -1.68 -3.03 116.57 114.70 1wf6 h LYS 91 Ca 0.05 -0.39 -0.06 0.00 -1.87 0.00 0.00 60.65 58.38 1wf6 h LYS 91 Cb 0.96 0.06 -0.02 0.00 0.08 0.00 0.00 32.23 33.31 1wf6 h LYS 91 CO -0.00 1.01 0.12 1.96 -0.57 0.00 0.00 179.45 181.97 1wf6 h GLN 92 N 0.41 0.87 0.00 3.15 4.20 0.14 -1.96 115.11 121.92 1wf6 h GLN 92 Ca -0.01 -0.22 -0.00 0.00 0.06 0.00 0.00 58.65 58.48 1wf6 h GLN 92 Cb 1.20 -0.11 -0.00 0.00 0.30 0.00 0.00 27.48 28.87 1wf6 h GLN 92 CO 0.12 0.83 -0.00 0.35 -0.67 0.00 0.00 178.83 179.45 1wf6 h PHE 93 N 0.76 0.00 0.00 2.96 3.57 -1.42 0.40 116.94 123.20 1wf6 h PHE 93 Ca 0.17 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.67 1wf6 h PHE 93 Cb 0.36 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.10 1wf6 h PHE 93 CO 0.02 0.00 0.00 0.91 -2.23 0.00 0.00 178.31 177.02 1wf6 n TRP 94 N -3.13 0.00 -0.19 0.41 8.01 -0.74 -1.93 117.44 119.87 1wf6 n TRP 94 Ca -0.02 0.00 0.03 0.00 -1.31 0.00 0.00 57.50 56.19 1wf6 n TRP 94 Cb 0.11 -0.19 0.07 0.00 -2.01 0.00 0.00 31.31 29.28 1wf6 n TRP 94 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 177.69 176.77 1wf6 n ASN 95 N -1.19 2.37 0.00 -0.99 4.13 0.14 -4.82 115.26 114.89 1wf6 n ASN 95 Ca 0.15 -2.15 0.00 0.00 1.68 0.00 0.00 54.58 54.26 1wf6 n ASN 95 Cb 0.17 -0.13 0.00 0.00 -1.54 0.00 0.00 39.78 38.28 1wf6 n ASN 95 CO 0.00 0.00 0.00 0.29 0.28 0.00 0.00 177.26 177.83 1wf6 n LYS 96 N -0.31 0.00 -3.62 3.52 5.02 -0.81 -5.09 118.16 116.87 1wf6 n LYS 96 Ca 0.06 0.00 -0.24 0.00 -2.02 0.00 0.00 58.31 56.11 1wf6 n LYS 96 Cb 0.36 -0.00 -0.02 0.00 -0.02 0.00 0.00 35.03 35.35 1wf6 n LYS 96 CO 0.00 0.00 0.00 -1.12 -0.52 0.00 0.00 177.40 175.76 1wf6 s SER 97 N 0.58 6.33 -0.64 4.39 0.01 -1.01 -5.05 113.70 118.31 1wf6 s SER 97 Ca 0.00 0.34 -0.19 0.00 1.31 0.00 0.00 55.95 57.41 1wf6 s SER 97 Cb 0.00 -1.98 0.11 0.00 0.21 0.00 0.00 66.02 64.36 1wf6 s SER 97 CO 0.00 -0.17 0.76 0.00 0.41 0.00 0.00 173.24 174.24 1wf6 s ALA 98 N -2.11 3.43 -0.17 1.44 0.00 -1.26 -4.56 121.76 118.53 1wf6 s ALA 98 Ca 0.38 -2.31 -0.28 0.00 0.00 0.00 0.00 51.96 49.75 1wf6 s ALA 98 Cb -0.10 -3.59 0.08 0.00 0.00 0.00 0.00 23.12 19.51 1wf6 s ALA 98 CO 0.32 -2.43 0.74 -1.58 0.00 0.00 0.00 175.76 172.82 1wf6 s HIS 99 N 2.63 -0.68 -0.49 0.00 5.04 -1.26 -5.03 115.29 115.50 1wf6 s HIS 99 Ca 0.14 1.45 0.03 0.00 -1.54 0.00 0.00 55.06 55.14 1wf6 s HIS 99 Cb -0.21 0.35 0.14 0.00 0.04 0.00 0.00 32.58 32.89 1wf6 s HIS 99 CO 0.04 -0.47 0.26 0.50 -2.34 0.00 0.00 174.74 172.74 1wf6 s ARG 100 N -0.41 1.64 0.87 2.88 3.00 -1.26 -4.89 118.95 120.78 1wf6 s ARG 100 Ca -0.05 -2.35 -0.12 0.00 -1.00 0.00 0.00 55.73 52.22 1wf6 s ARG 100 Cb -0.03 -2.79 0.12 0.00 0.00 0.00 0.00 34.95 32.25 1wf6 s ARG 100 CO 0.04 -1.15 1.12 -1.25 0.00 0.00 0.00 175.30 174.07 1wf6 s PRO 101 N -0.03 1.45 -0.65 5.12 0.04 -1.26 -4.97 135.00 134.69 1wf6 s PRO 101 Ca 0.18 0.40 -0.24 0.00 0.04 0.00 0.00 61.00 61.38 1wf6 s PRO 101 Cb -0.23 -1.86 0.05 0.00 0.04 0.00 0.00 34.50 32.50 1wf6 s PRO 101 CO -0.01 -2.01 1.03 -1.01 0.04 0.00 0.00 177.00 175.04 1wf6 s HIS 102 N -3.24 2.61 -0.81 0.56 3.76 -0.55 -4.80 115.29 112.83 1wf6 s HIS 102 Ca 0.63 -0.29 -0.22 0.00 -0.15 0.00 0.00 55.06 55.02 1wf6 s HIS 102 Cb -0.15 -4.32 0.07 0.00 1.11 0.00 0.00 32.58 29.30 1wf6 s HIS 102 CO 0.54 -1.67 1.15 0.08 -0.85 0.00 0.00 174.74 173.98 1wf6 s VAL 103 N 4.43 4.24 0.45 -0.90 1.01 -1.26 0.19 120.40 128.57 1wf6 s VAL 103 Ca 0.27 -0.61 0.03 0.00 0.00 0.00 0.00 61.98 61.67 1wf6 s VAL 103 Cb -0.14 -4.82 -0.02 0.00 0.00 0.00 0.00 36.38 31.40 1wf6 s VAL 103 CO 0.14 -1.63 0.07 0.68 0.00 0.00 0.00 175.10 174.36 1wf6 s VAL 104 N 4.18 0.87 0.03 2.92 -7.23 0.00 -1.05 120.40 120.13 1wf6 s VAL 104 Ca 0.31 -2.00 -0.00 0.00 -1.81 0.00 0.00 61.98 58.48 1wf6 s VAL 104 Cb -0.09 -2.28 -0.04 0.00 0.56 0.00 0.00 36.38 34.53 1wf6 s VAL 104 CO 0.02 0.00 0.15 -0.83 -0.31 0.00 0.00 175.10 174.13 1wf6 s GLY 105 N -3.72 2.12 0.41 2.32 0.00 -1.12 0.19 107.32 107.52 1wf6 s GLY 105 Ca 0.16 -0.86 0.27 0.00 0.00 0.00 0.00 44.72 44.29 1wf6 s GLY 105 CO 0.10 -0.80 1.61 0.00 0.00 0.00 0.00 173.10 174.00 1wf6 h ALA 106 N 3.51 2.56 -0.99 3.20 0.00 -1.86 0.78 119.26 126.45 1wf6 h ALA 106 Ca -0.47 0.16 0.27 0.00 0.00 0.00 0.00 54.91 54.87 1wf6 h ALA 106 Cb 1.17 0.24 -0.19 0.00 0.00 0.00 0.00 17.79 19.02 1wf6 h ALA 106 CO 0.69 -1.24 0.00 1.17 0.00 0.00 0.00 179.25 179.88 1wf6 n LYS 107 N -4.86 -0.08 0.04 0.00 4.81 -1.26 -0.19 118.16 116.61 1wf6 n LYS 107 Ca 0.38 1.49 -0.03 0.00 -0.87 0.00 0.00 58.31 59.28 1wf6 n LYS 107 Cb 1.39 -2.36 -0.01 0.00 0.02 0.00 0.00 35.03 34.07 1wf6 n LYS 107 CO 0.00 0.00 0.00 2.35 1.17 0.00 0.00 177.40 180.92 1wf6 h TRP 108 N 0.00 -0.21 -0.98 5.64 7.01 0.23 -0.13 115.95 127.51 1wf6 h TRP 108 Ca 0.59 0.00 0.10 0.00 2.11 0.00 0.00 58.89 61.70 1wf6 h TRP 108 Cb 1.21 0.08 -0.13 0.00 -2.10 0.00 0.00 29.16 28.22 1wf6 h TRP 108 CO -0.52 -0.10 -0.53 -0.11 -2.79 0.00 0.00 178.44 174.38 1wf6 n LEU 109 N -2.75 -0.95 -0.34 0.65 7.94 0.57 0.58 117.00 122.70 1wf6 n LEU 109 Ca -0.02 1.73 -0.04 0.00 -1.11 0.00 0.00 56.01 56.57 1wf6 n LEU 109 Cb 0.07 -0.26 0.01 0.00 0.53 0.00 0.00 43.42 43.77 1wf6 n LEU 109 CO 0.04 -1.44 0.58 -0.07 -1.11 0.00 0.00 177.39 175.39 1wf6 h LEU 110 N 0.00 -1.50 -1.44 -1.96 3.38 -0.33 1.53 115.31 115.00 1wf6 h LEU 110 Ca 0.19 0.29 0.01 0.00 0.09 0.00 0.00 57.88 58.46 1wf6 h LEU 110 Cb 0.44 0.75 -0.03 0.00 0.09 0.00 0.00 40.66 41.91 1wf6 h LEU 110 CO -0.93 -0.29 0.38 -0.33 0.09 0.00 0.00 178.44 177.36 1wf6 h GLU 111 N -0.06 0.75 0.22 1.13 4.39 0.21 0.75 114.58 121.97 1wf6 h GLU 111 Ca 0.28 -0.05 -0.00 0.00 0.34 0.00 0.00 59.36 59.93 1wf6 h GLU 111 Cb 0.56 -0.17 -0.01 0.00 -0.10 0.00 0.00 28.75 29.03 1wf6 h GLU 111 CO -0.89 0.50 -0.16 0.00 -1.16 0.00 0.00 179.01 177.30 1wf6 h PHE 113 N -0.38 0.00 -0.03 0.00 0.04 0.17 0.11 116.94 116.85 1wf6 h PHE 113 Ca -0.01 0.00 -0.06 0.00 2.80 0.00 0.00 57.97 60.70 1wf6 h PHE 113 Cb 0.33 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.48 1wf6 h PHE 113 CO -0.11 0.34 -0.21 1.03 -0.60 0.00 0.00 178.31 178.76 1wf6 h SER 114 N 0.00 0.24 1.38 2.17 0.87 0.13 -3.14 113.55 115.20 1wf6 h SER 114 Ca -0.00 -0.68 -0.01 0.00 -1.23 0.00 0.00 61.79 59.86 1wf6 h SER 114 Cb 0.84 -0.07 -0.00 0.00 -0.44 0.00 0.00 62.40 62.73 1wf6 h SER 114 CO 0.04 0.88 -0.07 0.11 -0.53 0.00 0.00 176.83 177.27 1wf6 h LYS 115 N -0.38 0.00 0.00 2.24 1.79 0.16 -3.46 116.57 116.92 1wf6 h LYS 115 Ca -0.02 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.45 1wf6 h LYS 115 Cb 0.89 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.54 1wf6 h LYS 115 CO 0.04 0.07 0.00 0.41 -1.08 0.00 0.00 179.45 178.89 1wf6 n GLY 116 N 0.51 1.64 3.21 3.86 0.00 0.25 -4.99 105.19 109.68 1wf6 n GLY 116 Ca 0.02 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.91 1wf6 n GLY 116 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1wf6 s TYR 117 N -2.33 1.12 0.19 1.61 -0.85 -0.37 -4.07 117.35 112.65 1wf6 s TYR 117 Ca 0.00 -1.18 -0.30 0.00 -0.52 0.00 0.00 57.07 55.08 1wf6 s TYR 117 Cb 0.00 -0.63 -0.08 0.00 0.38 0.00 0.00 41.96 41.63 1wf6 s TYR 117 CO 0.00 -0.41 1.16 -1.64 -1.52 0.00 0.00 175.55 173.15 1wf6 s MET 118 N -4.02 4.53 0.52 -3.49 -1.94 -1.26 -4.17 119.30 109.47 1wf6 s MET 118 Ca 0.28 1.82 0.06 0.00 -1.71 0.00 0.00 55.69 56.15 1wf6 s MET 118 Cb 0.07 -3.25 0.03 0.00 2.01 0.00 0.00 34.83 33.69 1wf6 s MET 118 CO 0.06 -0.02 0.41 -0.51 -0.01 0.00 0.00 175.02 174.95 1wf6 s LEU 119 N -0.37 2.85 0.48 -0.03 1.43 -1.26 -5.04 118.68 116.74 1wf6 s LEU 119 Ca 0.51 -1.14 -0.23 0.00 -1.03 0.00 0.00 54.13 52.24 1wf6 s LEU 119 Cb -0.32 -1.36 -0.07 0.00 0.03 0.00 0.00 46.19 44.48 1wf6 s LEU 119 CO 0.37 -1.02 1.31 -0.44 0.23 0.00 0.00 176.35 176.80 1wf6 s SER 120 N -4.26 5.80 0.01 2.29 0.01 -1.26 -4.93 113.70 111.36 1wf6 s SER 120 Ca 0.38 2.66 0.21 0.00 1.31 0.00 0.00 55.95 60.51 1wf6 s SER 120 Cb -0.02 -2.63 -0.23 0.00 0.21 0.00 0.00 66.02 63.35 1wf6 s SER 120 CO 0.23 -1.20 0.59 -0.62 0.41 0.00 0.00 173.24 172.65 1wf6 n GLU 121 N -0.53 0.65 -0.24 12.44 4.71 -1.26 -4.24 120.64 132.17 1wf6 n GLU 121 Ca 0.07 -0.05 -0.01 0.00 -0.01 0.00 0.00 57.16 57.16 1wf6 n GLU 121 Cb 0.45 -1.63 0.10 0.00 -1.01 0.00 0.00 31.44 29.36 1wf6 n GLU 121 CO 0.00 0.00 0.00 0.93 0.09 0.00 0.00 177.13 178.15 1wf6 h GLU 122 N 0.00 0.70 0.00 3.49 5.08 -1.98 0.25 114.58 122.13 1wf6 h GLU 122 Ca -0.10 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.22 1wf6 h GLU 122 Cb 1.25 -0.16 0.00 0.00 0.50 0.00 0.00 28.75 30.34 1wf6 h GLU 122 CO 0.01 0.47 0.00 -0.35 -1.00 0.00 0.00 179.01 178.14 1wf6 n PRO 123 N -4.76 0.75 -2.78 2.33 -0.04 -1.26 -2.93 135.00 126.31 1wf6 n PRO 123 Ca 0.09 0.00 -0.02 0.00 -0.04 0.00 0.00 63.50 63.52 1wf6 n PRO 123 Cb 0.17 -1.34 0.05 0.00 -0.04 0.00 0.00 33.50 32.34 1wf6 n PRO 123 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 1wf6 n TYR 124 N -0.84 1.31 -3.18 0.54 4.01 0.81 -5.07 117.16 114.73 1wf6 n TYR 124 Ca 0.12 -2.26 -0.38 0.00 -0.16 0.00 0.00 57.90 55.23 1wf6 n TYR 124 Cb 0.06 -0.26 -0.06 0.00 -0.31 0.00 0.00 39.34 38.77 1wf6 n TYR 124 CO 0.00 0.00 0.00 0.42 -0.46 0.00 0.00 176.86 176.82 1wf6 s ILE 125 N -3.74 4.64 -0.41 -0.72 -1.09 -0.67 -2.80 121.20 116.42 1wf6 s ILE 125 Ca 0.28 1.27 -0.11 0.00 -2.23 0.00 0.00 60.65 59.87 1wf6 s ILE 125 Cb 0.35 -3.91 0.06 0.00 -1.58 0.00 0.00 42.46 37.37 1wf6 s ILE 125 CO -0.03 0.42 0.26 -2.28 -1.23 0.00 0.00 174.94 172.08 1wf6 s HIS 126 N -1.27 3.29 0.01 3.97 2.46 -0.21 -4.87 115.29 118.66 1wf6 s HIS 126 Ca 0.35 -1.22 -0.03 0.00 0.47 0.00 0.00 55.06 54.63 1wf6 s HIS 126 Cb -0.19 -2.79 -0.02 0.00 -0.13 0.00 0.00 32.58 29.45 1wf6 s HIS 126 CO 0.21 -0.77 -0.07 0.45 -2.47 0.00 0.00 174.74 172.09 1wf6 n SER 127 N 4.99 1.00 0.00 9.88 2.88 -1.26 -4.92 113.62 126.20 1wf6 n SER 127 Ca -0.11 0.14 0.00 0.00 -1.33 0.00 0.00 58.87 57.57 1wf6 n SER 127 Cb 0.44 -0.34 0.00 0.00 -0.75 0.00 0.00 64.21 63.56 1wf6 n SER 127 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1wf6 n GLY 128 N 2.96 -0.08 3.77 0.46 0.00 -1.26 -5.10 105.19 105.94 1wf6 n GLY 128 Ca -0.05 0.19 -0.39 0.00 0.00 0.00 0.00 46.02 45.77 1wf6 n GLY 128 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1wf6 s PRO 129 N 0.00 4.50 -0.23 1.61 0.04 -1.26 -5.04 135.00 134.61 1wf6 s PRO 129 Ca 0.00 1.69 -0.07 0.00 0.04 0.00 0.00 61.00 62.65 1wf6 s PRO 129 Cb 0.00 -2.98 0.11 0.00 0.04 0.00 0.00 34.50 31.67 1wf6 s PRO 129 CO 0.00 0.12 0.49 -1.12 0.04 0.00 0.00 177.00 176.53 1wf6 s SER 130 N -1.13 -0.52 0.36 6.66 0.01 -1.26 -4.88 113.70 112.95 1wf6 s SER 130 Ca 0.49 1.09 0.00 0.00 1.31 0.00 0.00 55.95 58.84 1wf6 s SER 130 Cb -0.28 1.64 0.00 0.00 0.21 0.00 0.00 66.02 67.58 1wf6 s SER 130 CO 0.36 -0.23 0.00 -0.24 0.41 0.00 0.00 173.24 173.54 1wf6 n SER 131 N 5.41 -2.26 0.00 2.44 2.88 -1.25 -4.70 113.62 116.13 1wf6 n SER 131 Ca -0.09 0.66 0.00 0.00 -1.33 0.00 0.00 58.87 58.12 1wf6 n SER 131 Cb 0.49 2.22 0.00 0.00 -0.75 0.00 0.00 64.21 66.17 1wf6 n SER 131 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42