#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 -0.82 0.49 1.61 1.04 -1.26 -5.17 113.70 109.59 1wf6 s SER 2 Ca 0.00 0.95 0.05 0.00 0.48 0.00 0.00 55.95 57.43 1wf6 s SER 2 Cb 0.00 1.86 0.03 0.00 0.10 0.00 0.00 66.02 68.01 1wf6 s SER 2 CO 0.00 -0.16 0.67 -0.55 0.98 0.00 0.00 173.24 174.19 1wf6 s SER 3 N 2.68 5.45 0.37 7.02 0.15 -1.26 -5.13 113.70 122.99 1wf6 s SER 3 Ca -0.00 -0.28 -0.10 0.00 0.70 0.00 0.00 55.95 56.27 1wf6 s SER 3 Cb -0.09 -0.68 0.03 0.00 -1.71 0.00 0.00 66.02 63.57 1wf6 s SER 3 CO -0.18 -0.97 0.66 -0.83 1.20 0.00 0.00 173.24 173.13 1wf6 s GLY 4 N -4.40 0.88 0.14 9.45 0.00 -1.26 -5.19 107.32 106.93 1wf6 s GLY 4 Ca 0.57 -1.10 -0.25 0.00 0.00 0.00 0.00 44.72 43.94 1wf6 s GLY 4 CO 0.36 -0.61 0.88 -1.35 0.00 0.00 0.00 173.10 172.38 1wf6 s SER 5 N -3.15 -0.26 0.08 1.64 1.04 -1.26 -5.18 113.70 106.61 1wf6 s SER 5 Ca 0.22 -0.32 0.07 0.00 0.48 0.00 0.00 55.95 56.40 1wf6 s SER 5 Cb -0.03 0.51 -0.03 0.00 0.10 0.00 0.00 66.02 66.57 1wf6 s SER 5 CO 0.16 -0.92 -0.19 -0.94 0.98 0.00 0.00 173.24 172.32 1wf6 s SER 6 N -2.83 2.34 -0.36 7.02 1.04 -1.26 -5.09 113.70 114.56 1wf6 s SER 6 Ca 0.10 -0.61 -0.05 0.00 0.48 0.00 0.00 55.95 55.87 1wf6 s SER 6 Cb -0.02 -0.15 0.20 0.00 0.10 0.00 0.00 66.02 66.15 1wf6 s SER 6 CO -0.00 0.07 1.00 -0.83 0.98 0.00 0.00 173.24 174.45 1wf6 s GLY 7 N -1.60 -1.64 -0.61 7.32 0.00 -1.26 -5.10 107.32 104.44 1wf6 s GLY 7 Ca 0.05 0.73 0.00 0.00 0.00 0.00 0.00 44.72 45.50 1wf6 s GLY 7 CO 0.03 4.18 0.39 -1.35 0.00 0.00 0.00 173.10 176.36 1wf6 s SER 8 N 1.45 4.90 -0.20 1.64 1.04 -1.26 -5.06 113.70 116.20 1wf6 s SER 8 Ca 0.20 -3.02 -0.08 0.00 0.48 0.00 0.00 55.95 53.53 1wf6 s SER 8 Cb 0.06 -1.77 -0.04 0.00 0.10 0.00 0.00 66.02 64.37 1wf6 s SER 8 CO -0.11 -0.29 0.09 -1.61 0.98 0.00 0.00 173.24 172.29 1wf6 s GLU 9 N -0.30 3.98 0.09 4.02 2.02 -1.26 -4.86 118.70 122.40 1wf6 s GLU 9 Ca 0.18 -0.33 0.00 0.00 0.02 0.00 0.00 54.97 54.84 1wf6 s GLU 9 Cb -0.21 -3.31 0.00 0.00 0.10 0.00 0.00 34.13 30.71 1wf6 s GLU 9 CO -0.03 0.19 0.00 0.43 0.02 0.00 0.00 175.26 175.87 1wf6 n SER 10 N 3.82 -7.83 -3.93 -0.19 7.64 -1.26 -5.07 113.62 106.80 1wf6 n SER 10 Ca -0.16 1.30 -0.11 0.00 1.01 0.00 0.00 58.87 60.91 1wf6 n SER 10 Cb 0.52 -4.32 -0.13 0.00 -1.01 0.00 0.00 64.21 59.27 1wf6 n SER 10 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 1wf6 s ILE 11 N -0.45 0.11 0.17 0.44 1.09 -1.26 -5.16 121.20 116.14 1wf6 s ILE 11 Ca 0.00 -0.42 0.00 0.00 -1.10 0.00 0.00 60.65 59.13 1wf6 s ILE 11 Cb 0.00 -0.17 -0.04 0.00 -1.06 0.00 0.00 42.46 41.19 1wf6 s ILE 11 CO 0.00 -0.20 0.34 0.00 -0.10 0.00 0.00 174.94 174.98 1wf6 s ASN 13 N -3.08 1.46 -0.32 0.00 2.47 -1.26 -5.09 114.94 109.11 1wf6 s ASN 13 Ca 0.37 -0.14 0.05 0.00 0.42 0.00 0.00 52.86 53.55 1wf6 s ASN 13 Cb -0.11 0.10 0.19 0.00 -1.45 0.00 0.00 41.25 39.99 1wf6 s ASN 13 CO 0.28 -0.30 0.65 -0.94 -3.72 0.00 0.00 177.10 173.08 1wf6 s SER 14 N 2.24 -1.47 0.17 -4.21 1.04 -1.26 -5.15 113.70 105.05 1wf6 s SER 14 Ca 0.04 -0.06 -0.23 0.00 0.48 0.00 0.00 55.95 56.18 1wf6 s SER 14 Cb -0.14 1.91 0.07 0.00 0.10 0.00 0.00 66.02 67.96 1wf6 s SER 14 CO -0.08 -0.24 1.02 -0.22 0.98 0.00 0.00 173.24 174.69 1wf6 s LEU 15 N 2.59 -0.06 1.11 2.42 2.96 -1.26 -5.16 118.68 121.28 1wf6 s LEU 15 Ca 0.13 -0.58 -0.20 0.00 -0.22 0.00 0.00 54.13 53.26 1wf6 s LEU 15 Cb -0.08 2.10 0.06 0.00 0.50 0.00 0.00 46.19 48.78 1wf6 s LEU 15 CO -0.21 -0.95 -0.24 0.59 -1.32 0.00 0.00 176.35 174.22 1wf6 n ASN 16 N -0.94 -2.48 -4.51 3.68 4.13 -1.26 -4.45 115.26 109.43 1wf6 n ASN 16 Ca -0.04 -0.12 -0.35 0.00 1.68 0.00 0.00 54.58 55.74 1wf6 n ASN 16 Cb 0.60 -0.88 -0.16 0.00 -1.54 0.00 0.00 39.78 37.81 1wf6 n ASN 16 CO 0.00 0.00 0.00 -0.24 0.28 0.00 0.00 177.26 177.30 1wf6 n SER 17 N -0.90 0.10 -3.15 6.41 2.88 -1.26 -4.76 113.62 112.93 1wf6 n SER 17 Ca 0.00 -0.11 0.05 0.00 -1.33 0.00 0.00 58.87 57.47 1wf6 n SER 17 Cb 0.64 -0.91 -0.01 0.00 -0.75 0.00 0.00 64.21 63.18 1wf6 n SER 17 CO 0.00 0.00 0.00 -0.75 -1.23 0.00 0.00 175.04 173.06 1wf6 s LYS 18 N 8.46 0.41 0.00 -1.46 2.20 -1.26 -4.95 119.74 123.13 1wf6 s LYS 18 Ca 1.30 0.67 0.00 0.00 -0.36 0.00 0.00 55.97 57.58 1wf6 s LYS 18 Cb -1.03 0.36 0.00 0.00 -1.51 0.00 0.00 37.83 35.66 1wf6 s LYS 18 CO 0.48 -0.51 0.00 1.28 -0.36 0.00 0.00 175.35 176.24 1wf6 n LEU 19 N 5.42 0.00 -4.84 5.43 4.32 -1.10 -4.88 117.00 121.35 1wf6 n LEU 19 Ca -0.02 0.00 -0.33 0.00 -0.02 0.00 0.00 56.01 55.65 1wf6 n LEU 19 Cb 0.53 0.00 -0.06 0.00 -1.62 0.00 0.00 43.42 42.26 1wf6 n LEU 19 CO -0.04 -0.34 0.47 -1.61 -1.22 0.00 0.00 177.39 174.65 1wf6 s GLU 20 N -0.76 4.07 -1.19 3.23 2.02 -1.26 -4.80 118.70 120.02 1wf6 s GLU 20 Ca 0.00 0.79 -0.10 0.00 0.02 0.00 0.00 54.97 55.67 1wf6 s GLU 20 Cb 0.00 -2.41 -0.07 0.00 0.10 0.00 0.00 34.13 31.75 1wf6 s GLU 20 CO 0.00 0.13 2.37 -0.35 0.02 0.00 0.00 175.26 177.43 1wf6 n PRO 21 N -0.35 2.61 -4.34 0.39 -0.04 -1.26 -4.57 135.00 127.44 1wf6 n PRO 21 Ca 0.04 -1.89 -0.28 0.00 -0.04 0.00 0.00 63.50 61.33 1wf6 n PRO 21 Cb 0.53 -2.74 -0.11 0.00 -0.04 0.00 0.00 33.50 31.15 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 3.22 2.78 0.16 0.52 -4.23 -1.26 -4.55 115.64 112.28 1wf6 s THR 22 Ca 0.53 -1.75 -0.30 0.00 -1.18 0.00 0.00 61.69 58.99 1wf6 s THR 22 Cb 0.14 -2.33 -0.04 0.00 1.34 0.00 0.00 72.50 71.61 1wf6 s THR 22 CO -0.03 -0.05 1.55 0.25 -0.54 0.00 0.00 174.62 175.81 1wf6 h LEU 23 N 3.27 -1.88 0.00 4.79 7.12 -1.92 -2.04 115.31 124.66 1wf6 h LEU 23 Ca -0.48 0.28 0.00 0.00 0.13 0.00 0.00 57.88 57.82 1wf6 h LEU 23 Cb 1.19 0.82 0.00 0.00 -0.53 0.00 0.00 40.66 42.15 1wf6 h LEU 23 CO 0.49 -0.32 0.00 -0.62 -0.13 0.00 0.00 178.44 177.86 1wf6 n GLU 24 N -5.34 0.00 -1.00 1.25 1.02 -1.26 -1.75 120.64 113.56 1wf6 n GLU 24 Ca 0.01 0.76 -0.26 0.00 -0.02 0.00 0.00 57.16 57.64 1wf6 n GLU 24 Cb 0.32 -1.44 -0.05 0.00 -0.02 0.00 0.00 31.44 30.25 1wf6 n GLU 24 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 1wf6 n ASN 25 N -2.41 6.43 -0.05 1.62 3.02 -0.86 -4.04 115.26 118.97 1wf6 n ASN 25 Ca 0.00 -2.42 -0.04 0.00 -0.03 0.00 0.00 54.58 52.09 1wf6 n ASN 25 Cb 0.00 -1.31 -0.14 0.00 -0.61 0.00 0.00 39.78 37.72 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 3.57 0.29 -0.07 3.41 7.94 -0.72 -3.87 117.00 127.54 1wf6 n LEU 26 Ca 0.57 0.13 -0.14 0.00 -1.11 0.00 0.00 56.01 55.46 1wf6 n LEU 26 Cb 0.31 0.29 -0.05 0.00 0.53 0.00 0.00 43.42 44.50 1wf6 n LEU 26 CO 0.64 0.33 0.52 -0.33 -1.11 0.00 0.00 177.39 177.44 1wf6 h GLU 27 N 0.00 0.65 -1.12 1.96 5.08 -1.82 -3.01 114.58 116.32 1wf6 h GLU 27 Ca -0.34 -0.38 -0.50 0.00 -1.00 0.00 0.00 59.36 57.13 1wf6 h GLU 27 Cb 1.87 0.03 -0.24 0.00 0.50 0.00 0.00 28.75 30.92 1wf6 h GLU 27 CO 0.03 0.99 0.65 -1.71 -1.00 0.00 0.00 179.01 177.97 1wf6 n ASN 28 N -4.26 5.93 -4.93 1.42 2.85 -1.26 -4.94 115.26 110.07 1wf6 n ASN 28 Ca -0.05 -3.44 -0.26 0.00 -0.11 0.00 0.00 54.58 50.72 1wf6 n ASN 28 Cb 0.50 -0.92 -0.01 0.00 1.24 0.00 0.00 39.78 40.58 1wf6 n ASN 28 CO 0.00 0.00 0.00 -0.22 -2.11 0.00 0.00 177.26 174.93 1wf6 s LEU 29 N -2.94 3.94 -0.62 1.20 2.96 -1.14 -2.72 118.68 119.36 1wf6 s LEU 29 Ca 0.50 0.61 0.04 0.00 -0.22 0.00 0.00 54.13 55.07 1wf6 s LEU 29 Cb 0.40 -3.49 0.15 0.00 0.50 0.00 0.00 46.19 43.76 1wf6 s LEU 29 CO 0.03 -0.34 0.39 -0.62 -1.32 0.00 0.00 176.35 174.49 1wf6 s ASP 30 N -3.86 4.55 0.62 3.68 2.15 -1.26 -4.91 116.67 117.64 1wf6 s ASP 30 Ca 0.42 -3.46 0.29 0.00 0.43 0.00 0.00 52.55 50.23 1wf6 s ASP 30 Cb -0.10 -1.62 1.57 0.00 -0.30 0.00 0.00 42.92 42.48 1wf6 s ASP 30 CO 0.37 -0.15 1.94 1.62 -0.17 0.00 0.00 175.17 178.77 1wf6 h VAL 31 N 4.89 0.23 0.00 1.11 3.04 -1.96 1.53 116.25 125.09 1wf6 h VAL 31 Ca 0.05 0.00 -0.01 0.00 -1.01 0.00 0.00 66.70 65.73 1wf6 h VAL 31 Cb 0.82 0.67 -0.00 0.00 -2.01 0.00 0.00 31.29 30.77 1wf6 h VAL 31 CO 0.70 0.00 -0.03 0.28 -1.01 0.00 0.00 177.57 177.51 1wf6 h SER 32 N 0.00 0.00 -0.10 3.17 0.02 -1.98 -3.13 113.55 111.53 1wf6 h SER 32 Ca 0.10 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 61.04 1wf6 h SER 32 Cb 0.86 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.39 1wf6 h SER 32 CO -0.00 0.03 0.02 0.00 -1.14 0.00 0.00 176.83 175.73 1wf6 h ALA 33 N 1.97 0.14 -1.32 3.77 0.00 0.18 -3.43 119.26 120.58 1wf6 h ALA 33 Ca -0.00 -0.15 -0.77 0.00 0.00 0.00 0.00 54.91 53.98 1wf6 h ALA 33 Cb 0.75 -0.04 0.01 0.00 0.00 0.00 0.00 17.79 18.51 1wf6 h ALA 33 CO 0.00 -0.21 0.89 1.19 0.00 0.00 0.00 179.25 181.13 1wf6 n PHE 34 N -4.85 1.93 1.44 0.00 3.72 -1.19 -4.80 117.46 113.72 1wf6 n PHE 34 Ca -0.06 0.69 0.14 0.00 -0.05 0.00 0.00 57.45 58.17 1wf6 n PHE 34 Cb 0.17 -2.40 0.49 0.00 -0.94 0.00 0.00 39.48 36.80 1wf6 n PHE 34 CO 0.00 0.00 0.00 0.94 -0.05 0.00 0.00 176.76 177.65 1wf6 n GLN 35 N 5.27 1.53 -0.88 -1.08 7.27 -1.26 -4.95 117.38 123.28 1wf6 n GLN 35 Ca 0.30 -0.90 -0.36 0.00 0.07 0.00 0.00 57.00 56.11 1wf6 n GLN 35 Cb 0.08 -1.48 0.08 0.00 2.41 0.00 0.00 30.24 31.33 1wf6 n GLN 35 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 1wf6 n ALA 36 N 0.05 -5.10 -1.58 1.69 0.00 -1.22 -4.91 120.51 109.44 1wf6 n ALA 36 Ca 0.18 -1.27 -0.31 0.00 0.00 0.00 0.00 53.44 52.04 1wf6 n ALA 36 Cb 0.36 -1.11 0.05 0.00 0.00 0.00 0.00 19.45 18.74 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 -2.56 2.99 0.00 0.00 0.04 -1.26 -4.93 135.00 129.28 1wf6 s PRO 37 Ca 0.44 0.98 0.25 0.00 0.04 0.00 0.00 61.00 62.71 1wf6 s PRO 37 Cb -0.01 -2.00 1.36 0.00 0.04 0.00 0.00 34.50 33.90 1wf6 s PRO 37 CO 0.68 -1.06 1.85 0.39 0.04 0.00 0.00 177.00 178.89 1wf6 n GLU 38 N -3.01 0.54 -0.24 4.56 1.02 -1.26 -2.29 120.64 119.96 1wf6 n GLU 38 Ca 0.08 0.03 0.08 0.00 -0.02 0.00 0.00 57.16 57.32 1wf6 n GLU 38 Cb 0.53 -1.50 0.12 0.00 -0.02 0.00 0.00 31.44 30.58 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 -1.17 1.84 -0.39 1.62 9.92 -1.21 -2.13 116.55 125.03 1wf6 n ASP 39 Ca 0.15 -2.97 -0.10 0.00 -0.53 0.00 0.00 54.79 51.34 1wf6 n ASP 39 Cb 0.15 -0.40 -0.08 0.00 -0.64 0.00 0.00 41.12 40.15 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 0.14 -2.04 -5.50 0.64 5.85 0.90 0.22 115.31 115.52 1wf6 h LEU 40 Ca -0.01 0.32 -0.77 0.00 0.84 0.00 0.00 57.88 58.27 1wf6 h LEU 40 Cb 1.09 0.92 -0.29 0.00 0.37 0.00 0.00 40.66 42.75 1wf6 h LEU 40 CO 0.00 -0.25 0.85 0.18 -0.34 0.00 0.00 178.44 178.88 1wf6 n LEU 41 N -5.29 7.13 -4.73 2.25 4.77 0.50 -4.84 117.00 116.79 1wf6 n LEU 41 Ca 0.03 -5.14 -0.42 0.00 -0.03 0.00 0.00 56.01 50.45 1wf6 n LEU 41 Cb 0.29 -1.04 -0.03 0.00 -2.33 0.00 0.00 43.42 40.30 1wf6 n LEU 41 CO -0.14 1.94 1.30 -0.62 -1.33 0.00 0.00 177.39 178.54 1wf6 s ASP 42 N -1.47 6.44 -1.62 -1.43 2.15 0.77 -1.99 116.67 119.52 1wf6 s ASP 42 Ca 0.46 2.81 -0.14 0.00 0.43 0.00 0.00 52.55 56.12 1wf6 s ASP 42 Cb 0.33 -2.61 0.11 0.00 -0.30 0.00 0.00 42.92 40.45 1wf6 s ASP 42 CO -0.27 -0.91 0.72 0.61 -0.17 0.00 0.00 175.17 175.14 1wf6 n GLY 43 N 3.47 -0.40 2.99 2.66 0.00 -1.26 -4.93 105.19 107.72 1wf6 n GLY 43 Ca 0.13 0.14 -0.31 0.00 0.00 0.00 0.00 46.02 45.99 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 1.26 3.40 0.12 0.00 0.52 -1.26 -1.54 118.95 121.45 1wf6 s ARG 45 Ca -0.06 -0.23 0.06 0.00 -0.52 0.00 0.00 55.73 54.98 1wf6 s ARG 45 Cb -0.19 -3.91 -0.04 0.00 0.52 0.00 0.00 34.95 31.32 1wf6 s ARG 45 CO -0.06 -0.96 -0.03 0.42 0.02 0.00 0.00 175.30 174.69 1wf6 s ILE 46 N 2.86 3.73 -0.21 1.52 1.09 -0.75 0.13 121.20 129.56 1wf6 s ILE 46 Ca 0.24 -1.21 -0.02 0.00 -1.10 0.00 0.00 60.65 58.56 1wf6 s ILE 46 Cb -0.14 -2.80 -0.00 0.00 -1.06 0.00 0.00 42.46 38.46 1wf6 s ILE 46 CO 0.18 0.05 -0.09 -0.47 -0.10 0.00 0.00 174.94 174.51 1wf6 s TYR 47 N -1.41 2.90 -0.22 3.97 6.14 0.62 -1.29 117.35 128.06 1wf6 s TYR 47 Ca 0.25 -1.14 -0.27 0.00 0.64 0.00 0.00 57.07 56.55 1wf6 s TYR 47 Cb -0.11 -2.05 -0.00 0.00 0.42 0.00 0.00 41.96 40.23 1wf6 s TYR 47 CO 0.17 -0.62 0.92 -0.51 0.64 0.00 0.00 175.55 176.15 1wf6 s LEU 48 N 1.41 4.11 -0.08 6.97 1.43 -1.26 -1.16 118.68 130.09 1wf6 s LEU 48 Ca 0.05 1.21 0.03 0.00 -1.03 0.00 0.00 54.13 54.39 1wf6 s LEU 48 Cb -0.14 -3.35 0.00 0.00 0.03 0.00 0.00 46.19 42.74 1wf6 s LEU 48 CO -0.06 -0.56 -0.19 0.00 0.23 0.00 0.00 176.35 175.77 1wf6 n GLY 50 N 3.58 -0.38 3.34 0.00 0.00 -1.26 0.95 105.19 111.42 1wf6 n GLY 50 Ca -0.20 0.18 -0.10 0.00 0.00 0.00 0.00 46.02 45.90 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 -3.14 -0.71 -0.28 1.61 0.08 -1.26 -3.31 117.98 110.97 1wf6 s PHE 51 Ca 0.17 1.47 -0.19 0.00 0.12 0.00 0.00 56.93 58.50 1wf6 s PHE 51 Cb -0.02 0.34 0.09 0.00 -0.57 0.00 0.00 43.02 42.86 1wf6 s PHE 51 CO 0.40 -0.39 0.78 -1.12 -0.10 0.00 0.00 175.22 174.79 1wf6 s SER 52 N 1.57 -0.77 0.00 1.36 0.01 -1.26 -4.70 113.70 109.91 1wf6 s SER 52 Ca -0.09 1.31 0.00 0.00 1.31 0.00 0.00 55.95 58.48 1wf6 s SER 52 Cb -0.08 1.32 0.00 0.00 0.21 0.00 0.00 66.02 67.47 1wf6 s SER 52 CO -0.14 -0.21 0.00 0.61 0.41 0.00 0.00 173.24 173.91 1wf6 n GLY 53 N 3.62 0.92 0.11 3.44 0.00 -1.26 -4.35 105.19 107.66 1wf6 n GLY 53 Ca -0.18 -0.98 -0.22 0.00 0.00 0.00 0.00 46.02 44.64 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 0.00 0.57 -0.32 1.61 1.74 -1.26 -2.93 116.66 116.07 1wf6 n ARG 54 Ca 0.00 0.56 0.18 0.00 -0.77 0.00 0.00 57.85 57.82 1wf6 n ARG 54 Cb 0.00 -1.73 0.38 0.00 -1.02 0.00 0.00 32.46 30.09 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 -1.00 0.31 0.06 5.56 1.57 -1.84 0.47 116.57 121.70 1wf6 h LYS 55 Ca -0.37 -0.02 -0.00 0.00 -1.87 0.00 0.00 60.65 58.38 1wf6 h LYS 55 Cb 1.33 -0.07 0.00 0.00 0.08 0.00 0.00 32.23 33.57 1wf6 h LYS 55 CO -0.23 0.20 -0.03 1.25 -0.57 0.00 0.00 179.45 180.08 1wf6 h LEU 56 N 0.31 -0.06 -0.73 2.94 5.85 -1.78 -2.79 115.31 119.05 1wf6 h LEU 56 Ca 0.64 0.00 0.18 0.00 0.84 0.00 0.00 57.88 59.54 1wf6 h LEU 56 Cb 1.35 0.02 -0.14 0.00 0.37 0.00 0.00 40.66 42.26 1wf6 h LEU 56 CO -0.60 -0.01 -0.05 -0.67 -0.34 0.00 0.00 178.44 176.77 1wf6 n ASP 57 N -2.40 -0.14 0.06 1.25 2.03 -0.85 0.62 116.55 117.11 1wf6 n ASP 57 Ca -0.01 1.25 -0.06 0.00 0.52 0.00 0.00 54.79 56.49 1wf6 n ASP 57 Cb 0.03 -0.43 -0.03 0.00 -0.72 0.00 0.00 41.12 39.97 1wf6 n ASP 57 CO 0.00 0.00 0.00 0.11 -1.92 0.00 0.00 177.20 175.39 1wf6 h LYS 58 N 0.00 -0.27 -0.67 -0.67 1.79 -0.12 0.58 116.57 117.19 1wf6 h LYS 58 Ca 0.41 0.02 0.14 0.00 -2.18 0.00 0.00 60.65 59.04 1wf6 h LYS 58 Cb 0.79 0.06 -0.12 0.00 -1.58 0.00 0.00 32.23 31.38 1wf6 h LYS 58 CO -0.71 -0.18 -0.08 -0.07 -1.08 0.00 0.00 179.45 177.33 1wf6 h LEU 59 N -0.28 -0.46 -0.85 2.94 4.07 0.47 0.54 115.31 121.73 1wf6 h LEU 59 Ca -0.01 0.19 0.21 0.00 0.08 0.00 0.00 57.88 58.35 1wf6 h LEU 59 Cb 0.27 0.36 -0.12 0.00 1.08 0.00 0.00 40.66 42.25 1wf6 h LEU 59 CO -0.08 -0.18 0.31 0.03 -1.08 0.00 0.00 178.44 177.43 1wf6 h ARG 60 N 0.05 0.32 -0.13 1.13 3.08 0.19 0.64 114.38 119.67 1wf6 h ARG 60 Ca 0.34 -0.02 -0.20 0.00 0.07 0.00 0.00 59.98 60.18 1wf6 h ARG 60 Cb 0.56 -0.07 0.01 0.00 0.08 0.00 0.00 29.97 30.55 1wf6 h ARG 60 CO -0.64 0.21 -0.70 0.00 -1.07 0.00 0.00 179.97 177.77 1wf6 h ARG 61 N 0.33 0.70 0.23 0.04 3.08 0.21 -2.74 114.38 116.23 1wf6 h ARG 61 Ca 0.52 -0.58 -0.01 0.00 0.07 0.00 0.00 59.98 59.98 1wf6 h ARG 61 Cb 0.98 0.12 0.00 0.00 0.08 0.00 0.00 29.97 31.16 1wf6 h ARG 61 CO -0.55 1.19 -0.13 -0.07 -1.07 0.00 0.00 179.97 179.34 1wf6 h LEU 62 N 0.38 -0.33 -0.94 3.04 4.07 0.26 1.51 115.31 123.30 1wf6 h LEU 62 Ca -0.05 0.02 0.14 0.00 0.08 0.00 0.00 57.88 58.07 1wf6 h LEU 62 Cb 1.34 0.09 -0.15 0.00 1.08 0.00 0.00 40.66 43.02 1wf6 h LEU 62 CO 0.14 -0.21 -0.40 0.40 -1.08 0.00 0.00 178.44 177.29 1wf6 h ILE 63 N -0.34 0.02 -0.48 1.22 2.04 0.00 1.12 117.51 121.09 1wf6 h ILE 63 Ca -0.03 0.00 0.02 0.00 1.00 0.00 0.00 64.86 65.84 1wf6 h ILE 63 Cb 0.27 0.02 -0.03 0.00 -0.74 0.00 0.00 36.82 36.35 1wf6 h ILE 63 CO 0.04 0.00 0.29 0.78 0.00 0.00 0.00 178.15 179.26 1wf6 h ASN 64 N -0.03 0.48 -0.86 1.72 2.35 -1.34 0.94 115.58 118.85 1wf6 h ASN 64 Ca 0.32 -0.00 0.11 0.00 -0.55 0.00 0.00 56.30 56.17 1wf6 h ASN 64 Cb 0.58 -0.11 -0.06 0.00 0.05 0.00 0.00 38.32 38.78 1wf6 h ASN 64 CO -0.94 0.35 0.56 -1.28 -1.65 0.00 0.00 177.43 174.46 1wf6 h SER 65 N 0.59 0.73 -0.02 5.81 0.87 0.98 0.48 113.55 122.99 1wf6 h SER 65 Ca 0.19 0.02 0.00 0.00 -1.23 0.00 0.00 61.79 60.77 1wf6 h SER 65 Cb -0.01 -0.13 0.00 0.00 -0.44 0.00 0.00 62.40 61.82 1wf6 h SER 65 CO -0.07 0.42 0.00 0.61 -0.53 0.00 0.00 176.83 177.26 1wf6 n GLY 66 N -1.42 -0.24 2.40 5.77 0.00 0.26 -4.01 105.19 107.95 1wf6 n GLY 66 Ca 0.15 -0.38 0.00 0.00 0.00 0.00 0.00 46.02 45.79 1wf6 n GLY 66 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1wf6 n GLY 67 N 1.12 2.52 3.39 -0.02 0.00 0.17 0.19 105.19 112.56 1wf6 n GLY 67 Ca 0.20 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.89 1wf6 n GLY 67 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1wf6 n GLY 68 N -2.00 -2.16 3.26 -0.02 0.00 0.30 -4.63 105.19 99.95 1wf6 n GLY 68 Ca 0.00 -0.75 -0.35 0.00 0.00 0.00 0.00 46.02 44.91 1wf6 n GLY 68 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1wf6 s VAL 69 N -2.37 3.27 -0.60 1.61 1.01 -0.59 -3.84 120.40 118.90 1wf6 s VAL 69 Ca 0.56 -0.82 -0.28 0.00 0.00 0.00 0.00 61.98 61.45 1wf6 s VAL 69 Cb -0.20 -2.63 0.03 0.00 0.00 0.00 0.00 36.38 33.58 1wf6 s VAL 69 CO 0.68 0.22 1.17 -0.60 0.00 0.00 0.00 175.10 176.57 1wf6 s ARG 70 N 1.41 3.45 -0.14 2.72 3.52 -1.26 -1.81 118.95 126.84 1wf6 s ARG 70 Ca 0.02 0.13 -0.29 0.00 -0.13 0.00 0.00 55.73 55.45 1wf6 s ARG 70 Cb -0.16 -4.04 -0.01 0.00 -1.56 0.00 0.00 34.95 29.18 1wf6 s ARG 70 CO -0.02 -1.71 1.02 -0.06 -0.81 0.00 0.00 175.30 173.71 1wf6 s PHE 71 N 4.92 3.46 -0.49 5.12 0.40 -0.41 -4.90 117.98 126.09 1wf6 s PHE 71 Ca 0.40 1.56 0.26 0.00 -0.60 0.00 0.00 56.93 58.55 1wf6 s PHE 71 Cb -0.08 -3.21 0.85 0.00 0.51 0.00 0.00 43.02 41.09 1wf6 s PHE 71 CO 0.23 -0.31 1.76 -0.91 0.70 0.00 0.00 175.22 176.69 1wf6 h ASN 72 N 7.20 0.00 -3.00 1.36 4.21 -1.94 -3.38 115.58 120.03 1wf6 h ASN 72 Ca -0.28 0.00 -0.49 0.00 1.21 0.00 0.00 56.30 56.74 1wf6 h ASN 72 Cb 1.12 0.00 -0.14 0.00 -1.12 0.00 0.00 38.32 38.19 1wf6 h ASN 72 CO 0.89 0.00 -0.63 0.00 -1.29 0.00 0.00 177.43 176.40 1wf6 s GLN 73 N -3.26 1.63 0.27 0.81 -2.07 -1.26 -5.05 119.66 110.73 1wf6 s GLN 73 Ca 0.07 -1.88 0.08 0.00 -1.82 0.00 0.00 55.36 51.81 1wf6 s GLN 73 Cb 0.10 -1.03 -0.04 0.00 -1.09 0.00 0.00 33.01 30.95 1wf6 s GLN 73 CO 0.55 -0.09 0.15 -1.17 -1.32 0.00 0.00 175.29 173.41 1wf6 s LEU 74 N -3.49 3.61 0.00 2.60 0.20 -1.26 -4.92 118.68 115.42 1wf6 s LEU 74 Ca 0.33 -0.41 0.00 0.00 0.69 0.00 0.00 54.13 54.75 1wf6 s LEU 74 Cb 0.07 -2.14 0.00 0.00 -0.43 0.00 0.00 46.19 43.69 1wf6 s LEU 74 CO 0.14 -0.08 0.00 -0.46 -0.29 0.00 0.00 176.35 175.66 1wf6 n ASN 75 N -1.13 0.00 0.18 3.68 0.23 -1.26 -4.95 115.26 112.01 1wf6 n ASN 75 Ca -0.07 0.00 0.14 0.00 -0.53 0.00 0.00 54.58 54.12 1wf6 n ASN 75 Cb 0.59 0.00 0.63 0.00 -2.08 0.00 0.00 39.78 38.91 1wf6 n ASN 75 CO 0.00 0.00 0.00 -0.33 -0.93 0.00 0.00 177.26 176.00 1wf6 h GLU 76 N 0.00 0.00 -0.24 -3.83 5.08 -1.98 -2.25 114.58 111.36 1wf6 h GLU 76 Ca 0.00 0.00 -0.09 0.00 -1.00 0.00 0.00 59.36 58.27 1wf6 h GLU 76 Cb 0.00 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.25 1wf6 h GLU 76 CO 0.00 0.00 -0.19 -0.44 -1.00 0.00 0.00 179.01 177.38 1wf6 h ASP 77 N 0.00 0.58 -1.32 1.42 5.19 -1.97 -3.44 116.42 116.88 1wf6 h ASP 77 Ca 0.00 -0.45 -0.75 0.00 -0.62 0.00 0.00 57.03 55.21 1wf6 h ASP 77 Cb 0.24 -0.16 0.05 0.00 0.18 0.00 0.00 39.33 39.64 1wf6 h ASP 77 CO 0.00 0.91 0.32 0.52 -3.12 0.00 0.00 179.24 177.87 1wf6 n VAL 78 N -4.42 0.02 0.71 -1.35 0.31 -0.85 -4.76 118.33 108.00 1wf6 n VAL 78 Ca -0.04 -0.00 0.07 0.00 -0.01 0.00 0.00 64.34 64.35 1wf6 n VAL 78 Cb 0.40 -0.46 -0.08 0.00 -0.91 0.00 0.00 33.84 32.79 1wf6 n VAL 78 CO 0.00 0.00 0.00 0.35 -1.32 0.00 0.00 176.83 175.86 1wf6 n THR 79 N 2.30 0.00 -3.48 2.52 -2.24 0.34 -4.89 114.28 108.84 1wf6 n THR 79 Ca 0.21 -0.15 -0.13 0.00 -2.27 0.00 0.00 64.05 61.71 1wf6 n THR 79 Cb 0.12 1.00 -0.03 0.00 -2.10 0.00 0.00 70.33 69.32 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 -2.42 -0.52 -0.30 4.78 3.76 -1.14 -4.14 115.29 115.30 1wf6 s HIS 80 Ca 0.06 0.48 -0.02 0.00 -0.15 0.00 0.00 55.06 55.42 1wf6 s HIS 80 Cb 0.11 0.47 0.10 0.00 1.11 0.00 0.00 32.58 34.38 1wf6 s HIS 80 CO 0.62 -0.76 0.13 0.08 -0.85 0.00 0.00 174.74 173.96 1wf6 s VAL 81 N -3.04 0.30 -0.63 -0.90 1.01 0.19 -0.28 120.40 117.06 1wf6 s VAL 81 Ca -0.02 -1.08 -0.27 0.00 0.00 0.00 0.00 61.98 60.61 1wf6 s VAL 81 Cb -0.01 -1.25 0.03 0.00 0.00 0.00 0.00 36.38 35.16 1wf6 s VAL 81 CO -0.07 -0.73 1.16 -0.63 0.00 0.00 0.00 175.10 174.83 1wf6 s ILE 82 N 1.83 4.01 -0.19 2.22 -1.09 -0.31 -0.87 121.20 126.79 1wf6 s ILE 82 Ca 0.10 0.59 -0.24 0.00 -2.23 0.00 0.00 60.65 58.87 1wf6 s ILE 82 Cb -0.17 -4.75 -0.02 0.00 -1.58 0.00 0.00 42.46 35.94 1wf6 s ILE 82 CO -0.30 -1.46 0.76 -0.69 -1.23 0.00 0.00 174.94 172.02 1wf6 s VAL 83 N 4.96 4.92 -0.21 2.92 1.01 0.49 -0.99 120.40 133.51 1wf6 s VAL 83 Ca 0.37 1.46 -0.16 0.00 0.00 0.00 0.00 61.98 63.66 1wf6 s VAL 83 Cb -0.09 -4.06 -0.19 0.00 0.00 0.00 0.00 36.38 32.03 1wf6 s VAL 83 CO 0.21 0.04 0.12 0.61 0.00 0.00 0.00 175.10 176.07 1wf6 n GLY 84 N 3.64 -0.68 0.72 4.51 0.00 0.27 -3.98 105.19 109.67 1wf6 n GLY 84 Ca 0.03 -0.03 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 -4.12 1.26 -3.52 1.61 2.03 -1.21 -5.00 116.55 107.60 1wf6 n ASP 85 Ca -0.37 0.00 -0.13 0.00 0.52 0.00 0.00 54.79 54.81 1wf6 n ASP 85 Cb 0.82 0.00 -0.04 0.00 -0.72 0.00 0.00 41.12 41.18 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 -1.95 -0.48 -0.73 -0.67 -0.85 -1.26 -5.08 117.35 106.33 1wf6 s TYR 86 Ca 0.00 0.65 -0.01 0.00 -0.52 0.00 0.00 57.07 57.18 1wf6 s TYR 86 Cb 0.00 0.47 0.18 0.00 0.38 0.00 0.00 41.96 43.00 1wf6 s TYR 86 CO 0.00 -0.54 0.57 0.16 -1.52 0.00 0.00 175.55 174.21 1wf6 s ASP 87 N -1.69 5.44 -0.22 -0.18 -4.77 -1.26 -4.06 116.67 109.94 1wf6 s ASP 87 Ca -0.03 -3.29 -0.17 0.00 -3.30 0.00 0.00 52.55 45.76 1wf6 s ASP 87 Cb -0.01 -1.85 -0.14 0.00 -1.09 0.00 0.00 42.92 39.84 1wf6 s ASP 87 CO -0.00 -0.27 -0.05 0.47 0.70 0.00 0.00 175.17 176.02 1wf6 n ASP 88 N 2.89 1.89 -0.40 2.11 8.00 -1.26 -4.22 116.55 125.55 1wf6 n ASP 88 Ca 0.14 0.43 0.35 0.00 0.71 0.00 0.00 54.79 56.41 1wf6 n ASP 88 Cb 0.37 -0.89 0.59 0.00 -0.02 0.00 0.00 41.12 41.17 1wf6 n ASP 88 CO 0.00 0.00 0.00 1.21 -0.39 0.00 0.00 177.20 178.02 1wf6 n GLU 89 N -4.41 -0.04 -0.10 -1.24 2.13 -1.26 0.19 120.64 115.91 1wf6 n GLU 89 Ca -0.33 1.13 -0.06 0.00 0.66 0.00 0.00 57.16 58.55 1wf6 n GLU 89 Cb 0.66 -2.19 0.00 0.00 0.27 0.00 0.00 31.44 30.18 1wf6 n GLU 89 CO 0.00 0.00 0.00 -0.07 -0.41 0.00 0.00 177.13 176.65 1wf6 h LEU 90 N 0.00 -0.68 -0.93 4.31 -0.00 -1.97 -0.69 115.31 115.34 1wf6 h LEU 90 Ca 0.78 0.15 0.15 0.00 -0.00 0.00 0.00 57.88 58.95 1wf6 h LEU 90 Cb 2.44 0.36 -0.15 0.00 -0.00 0.00 0.00 40.66 43.30 1wf6 h LEU 90 CO -0.45 -0.24 -0.36 0.29 -0.00 0.00 0.00 178.44 177.68 1wf6 n LYS 91 N -5.37 -0.21 0.12 1.13 5.02 0.50 0.19 118.16 119.53 1wf6 n LYS 91 Ca 0.01 1.44 -0.13 0.00 -2.02 0.00 0.00 58.31 57.61 1wf6 n LYS 91 Cb 0.28 -2.14 -0.06 0.00 -0.02 0.00 0.00 35.03 33.10 1wf6 n LYS 91 CO 0.00 0.00 0.00 1.96 -0.52 0.00 0.00 177.40 178.84 1wf6 h GLN 92 N 0.00 -0.46 -0.68 1.97 1.08 -1.22 0.38 115.11 116.19 1wf6 h GLN 92 Ca 0.33 0.03 0.05 0.00 -1.45 0.00 0.00 58.65 57.61 1wf6 h GLN 92 Cb 0.56 0.11 -0.05 0.00 -0.05 0.00 0.00 27.48 28.05 1wf6 h GLN 92 CO -0.93 -0.31 0.39 0.35 -0.95 0.00 0.00 178.83 177.38 1wf6 h PHE 93 N -0.48 0.72 0.00 2.96 3.57 0.71 0.20 116.94 124.62 1wf6 h PHE 93 Ca 0.03 0.02 -0.03 0.00 3.53 0.00 0.00 57.97 61.52 1wf6 h PHE 93 Cb 0.50 -0.22 -0.00 0.00 2.79 0.00 0.00 35.95 39.01 1wf6 h PHE 93 CO -0.23 0.36 -0.14 -1.49 -2.23 0.00 0.00 178.31 174.58 1wf6 h TRP 94 N 0.73 0.00 0.00 0.41 6.55 0.27 0.35 115.95 124.25 1wf6 h TRP 94 Ca 0.29 0.00 0.00 0.00 0.95 0.00 0.00 58.89 60.13 1wf6 h TRP 94 Cb 0.14 0.00 0.00 0.00 -0.86 0.00 0.00 29.16 28.44 1wf6 h TRP 94 CO -0.07 0.14 -0.11 0.09 -1.05 0.00 0.00 178.44 177.45 1wf6 n ASN 95 N -4.00 0.11 0.00 -3.49 4.13 0.13 -4.43 115.26 107.71 1wf6 n ASN 95 Ca -0.02 0.34 0.00 0.00 1.68 0.00 0.00 54.58 56.58 1wf6 n ASN 95 Cb 0.23 -0.34 0.00 0.00 -1.54 0.00 0.00 39.78 38.12 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 -1.50 0.00 -3.55 3.52 5.02 0.94 -5.05 118.16 117.54 1wf6 n LYS 96 Ca 0.07 0.00 -0.25 0.00 -2.02 0.00 0.00 58.31 56.11 1wf6 n LYS 96 Cb 0.34 0.00 -0.02 0.00 -0.02 0.00 0.00 35.03 35.33 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 -0.81 6.34 -0.60 4.39 0.01 0.38 -5.05 113.70 118.37 1wf6 s SER 97 Ca 0.00 0.41 -0.17 0.00 1.31 0.00 0.00 55.95 57.50 1wf6 s SER 97 Cb 0.00 -2.01 0.13 0.00 0.21 0.00 0.00 66.02 64.34 1wf6 s SER 97 CO 0.00 -0.18 0.62 0.00 0.41 0.00 0.00 173.24 174.10 1wf6 s ALA 98 N -2.11 3.58 -0.04 1.44 0.00 -1.26 -4.16 121.76 119.21 1wf6 s ALA 98 Ca 0.39 -2.48 -0.24 0.00 0.00 0.00 0.00 51.96 49.63 1wf6 s ALA 98 Cb -0.10 -3.42 0.05 0.00 0.00 0.00 0.00 23.12 19.65 1wf6 s ALA 98 CO 0.32 -2.21 0.52 -1.58 0.00 0.00 0.00 175.76 172.81 1wf6 s HIS 99 N 1.97 -0.46 -0.47 0.00 5.04 -1.26 -5.11 115.29 115.00 1wf6 s HIS 99 Ca 0.09 0.79 0.03 0.00 -1.54 0.00 0.00 55.06 54.43 1wf6 s HIS 99 Cb -0.25 0.27 0.13 0.00 0.04 0.00 0.00 32.58 32.77 1wf6 s HIS 99 CO 0.03 -0.50 0.24 0.50 -2.34 0.00 0.00 174.74 172.67 1wf6 s ARG 100 N -1.16 1.57 0.84 2.88 6.06 -1.26 -4.88 118.95 123.00 1wf6 s ARG 100 Ca -0.11 -2.24 -0.12 0.00 -2.50 0.00 0.00 55.73 50.76 1wf6 s ARG 100 Cb -0.02 -2.76 0.09 0.00 0.06 0.00 0.00 34.95 32.32 1wf6 s ARG 100 CO 0.07 -1.13 1.11 -1.25 -2.50 0.00 0.00 175.30 171.60 1wf6 s PRO 101 N 0.13 1.74 -0.67 5.12 0.04 -1.26 -4.95 135.00 135.14 1wf6 s PRO 101 Ca 0.17 0.51 -0.27 0.00 0.04 0.00 0.00 61.00 61.45 1wf6 s PRO 101 Cb -0.25 -1.89 0.02 0.00 0.04 0.00 0.00 34.50 32.42 1wf6 s PRO 101 CO -0.00 -1.83 1.35 -1.01 0.04 0.00 0.00 177.00 175.54 1wf6 s HIS 102 N -3.20 2.27 -0.73 0.56 3.76 -1.26 -4.85 115.29 111.84 1wf6 s HIS 102 Ca 0.62 0.20 -0.20 0.00 -0.15 0.00 0.00 55.06 55.52 1wf6 s HIS 102 Cb -0.15 -4.52 0.10 0.00 1.11 0.00 0.00 32.58 29.13 1wf6 s HIS 102 CO 0.54 -2.01 0.95 0.08 -0.85 0.00 0.00 174.74 173.45 1wf6 s VAL 103 N 6.02 4.58 0.46 -0.90 1.01 -1.26 0.57 120.40 130.88 1wf6 s VAL 103 Ca 0.42 -0.90 0.02 0.00 0.00 0.00 0.00 61.98 61.53 1wf6 s VAL 103 Cb -0.09 -4.67 -0.02 0.00 0.00 0.00 0.00 36.38 31.61 1wf6 s VAL 103 CO 0.19 -1.39 0.06 0.68 0.00 0.00 0.00 175.10 174.64 1wf6 s VAL 104 N 3.28 0.89 0.10 2.92 -7.23 -0.05 -1.32 120.40 118.98 1wf6 s VAL 104 Ca 0.23 -2.00 0.03 0.00 -1.81 0.00 0.00 61.98 58.43 1wf6 s VAL 104 Cb -0.15 -2.25 -0.04 0.00 0.56 0.00 0.00 36.38 34.50 1wf6 s VAL 104 CO 0.03 0.00 0.13 -0.83 -0.31 0.00 0.00 175.10 174.12 1wf6 s GLY 105 N -3.75 1.95 0.40 2.32 0.00 -1.14 0.19 107.32 107.28 1wf6 s GLY 105 Ca 0.14 -1.04 0.23 0.00 0.00 0.00 0.00 44.72 44.06 1wf6 s GLY 105 CO 0.09 -1.03 1.63 0.00 0.00 0.00 0.00 173.10 173.79 1wf6 h ALA 106 N 2.97 2.38 -0.93 3.20 0.00 -1.87 0.55 119.26 125.56 1wf6 h ALA 106 Ca -0.47 0.17 0.22 0.00 0.00 0.00 0.00 54.91 54.83 1wf6 h ALA 106 Cb 1.17 0.21 -0.18 0.00 0.00 0.00 0.00 17.79 19.00 1wf6 h ALA 106 CO 0.67 -1.04 -0.12 1.17 0.00 0.00 0.00 179.25 179.93 1wf6 n LYS 107 N -4.91 -0.08 0.04 0.00 4.81 -1.26 -0.01 118.16 116.75 1wf6 n LYS 107 Ca 0.35 1.43 -0.04 0.00 -0.87 0.00 0.00 58.31 59.18 1wf6 n LYS 107 Cb 1.26 -2.20 -0.03 0.00 0.02 0.00 0.00 35.03 34.09 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 -0.39 -1.00 5.64 7.01 -0.23 -0.36 115.95 126.63 1wf6 h TRP 108 Ca 0.50 0.01 0.10 0.00 2.11 0.00 0.00 58.89 61.61 1wf6 h TRP 108 Cb 0.90 0.16 -0.13 0.00 -2.10 0.00 0.00 29.16 28.00 1wf6 h TRP 108 CO -0.61 -0.16 -0.56 1.25 -2.79 0.00 0.00 178.44 175.57 1wf6 h LEU 109 N -0.22 -2.07 -0.77 0.65 5.85 -0.53 0.69 115.31 118.91 1wf6 h LEU 109 Ca -0.01 0.33 0.07 0.00 0.84 0.00 0.00 57.88 59.11 1wf6 h LEU 109 Cb 0.21 0.93 -0.09 0.00 0.37 0.00 0.00 40.66 42.08 1wf6 h LEU 109 CO -0.05 -0.24 -0.46 0.18 -0.34 0.00 0.00 178.44 177.53 1wf6 n LEU 110 N -5.28 -0.82 -0.31 2.25 4.77 0.42 0.91 117.00 118.94 1wf6 n LEU 110 Ca 0.03 1.60 0.03 0.00 -0.03 0.00 0.00 56.01 57.64 1wf6 n LEU 110 Cb 0.28 -0.29 0.18 0.00 -2.33 0.00 0.00 43.42 41.26 1wf6 n LEU 110 CO -0.16 -1.23 1.17 -0.33 -1.33 0.00 0.00 177.39 175.51 1wf6 h GLU 111 N 0.00 0.83 -0.31 3.23 4.39 0.11 1.23 114.58 124.06 1wf6 h GLU 111 Ca 0.12 -0.05 0.07 0.00 0.34 0.00 0.00 59.36 59.84 1wf6 h GLU 111 Cb 0.32 -0.19 -0.07 0.00 -0.10 0.00 0.00 28.75 28.71 1wf6 h GLU 111 CO -0.73 0.55 -0.15 0.00 -1.16 0.00 0.00 179.01 177.52 1wf6 h PHE 113 N -0.10 0.67 -0.97 0.00 0.04 0.11 0.16 116.94 116.86 1wf6 h PHE 113 Ca 0.16 -0.26 0.08 0.00 2.80 0.00 0.00 57.97 60.76 1wf6 h PHE 113 Cb 0.35 -0.12 -0.07 0.00 2.20 0.00 0.00 35.95 38.31 1wf6 h PHE 113 CO -0.35 1.00 0.62 1.03 -0.60 0.00 0.00 178.31 180.01 1wf6 h SER 114 N 0.15 0.95 1.39 2.17 0.87 0.22 0.54 113.55 119.84 1wf6 h SER 114 Ca -0.00 0.02 -0.12 0.00 -1.23 0.00 0.00 61.79 60.46 1wf6 h SER 114 Cb 0.99 -0.18 -0.02 0.00 -0.44 0.00 0.00 62.40 62.75 1wf6 h SER 114 CO 0.08 0.58 -0.62 0.11 -0.53 0.00 0.00 176.83 176.45 1wf6 h LYS 115 N 1.06 0.00 0.00 2.24 1.79 0.16 -3.45 116.57 118.37 1wf6 h LYS 115 Ca 0.44 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.91 1wf6 h LYS 115 Cb 0.28 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.93 1wf6 h LYS 115 CO -0.19 0.52 0.00 0.41 -1.08 0.00 0.00 179.45 179.11 1wf6 n GLY 116 N 1.25 1.10 2.97 3.86 0.00 0.37 -4.95 105.19 109.80 1wf6 n GLY 116 Ca 0.01 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.93 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 -2.29 0.27 0.34 1.61 1.13 -0.08 -4.14 117.35 114.19 1wf6 s TYR 117 Ca 0.00 -0.44 -0.29 0.00 -1.41 0.00 0.00 57.07 54.93 1wf6 s TYR 117 Cb 0.00 -0.19 -0.11 0.00 -1.10 0.00 0.00 41.96 40.56 1wf6 s TYR 117 CO 0.00 -0.14 1.55 -1.33 -2.51 0.00 0.00 175.55 173.12 1wf6 n MET 118 N 1.84 2.73 -4.02 -3.49 2.81 -1.26 -4.37 117.12 111.37 1wf6 n MET 118 Ca -0.22 0.96 -0.27 0.00 -1.81 0.00 0.00 57.70 56.37 1wf6 n MET 118 Cb 0.56 -2.73 -0.03 0.00 -0.71 0.00 0.00 33.22 30.31 1wf6 n MET 118 CO 0.00 0.00 0.00 -0.51 1.51 0.00 0.00 175.97 176.97 1wf6 s LEU 119 N -1.34 2.74 0.55 4.03 1.43 -1.26 -5.02 118.68 119.80 1wf6 s LEU 119 Ca 0.58 -1.25 -0.21 0.00 -1.03 0.00 0.00 54.13 52.22 1wf6 s LEU 119 Cb -0.48 -1.21 -0.05 0.00 0.03 0.00 0.00 46.19 44.48 1wf6 s LEU 119 CO 0.57 -0.97 1.32 -0.94 0.23 0.00 0.00 176.35 176.55 1wf6 s SER 120 N -4.17 5.30 0.01 2.29 1.04 -1.26 -4.92 113.70 111.99 1wf6 s SER 120 Ca 0.32 2.67 0.23 0.00 0.48 0.00 0.00 55.95 59.64 1wf6 s SER 120 Cb -0.01 -2.63 0.06 0.00 0.10 0.00 0.00 66.02 63.54 1wf6 s SER 120 CO 0.19 -1.54 1.08 -0.62 0.98 0.00 0.00 173.24 173.33 1wf6 n GLU 121 N -1.10 0.07 -0.14 4.02 1.02 -1.26 -4.17 120.64 119.09 1wf6 n GLU 121 Ca 0.11 -0.01 -0.10 0.00 -0.02 0.00 0.00 57.16 57.14 1wf6 n GLU 121 Cb 0.46 -1.52 -0.01 0.00 -0.02 0.00 0.00 31.44 30.35 1wf6 n GLU 121 CO 0.00 0.00 0.00 0.93 1.18 0.00 0.00 177.13 179.24 1wf6 h GLU 122 N 0.00 0.69 -0.12 3.49 5.08 -1.99 -1.96 114.58 119.77 1wf6 h GLU 122 Ca 0.00 -0.20 0.00 0.00 -1.00 0.00 0.00 59.36 58.16 1wf6 h GLU 122 Cb 0.56 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.74 1wf6 h GLU 122 CO 0.00 0.76 0.00 -0.35 -1.00 0.00 0.00 179.01 178.42 1wf6 n PRO 123 N -4.48 0.75 -2.73 2.33 -0.04 -1.26 -2.93 135.00 126.64 1wf6 n PRO 123 Ca -0.01 0.00 -0.03 0.00 -0.04 0.00 0.00 63.50 63.42 1wf6 n PRO 123 Cb 0.26 -1.06 0.08 0.00 -0.04 0.00 0.00 33.50 32.75 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 -0.40 -0.47 -3.40 0.54 4.02 -0.78 -5.02 117.16 111.66 1wf6 n TYR 124 Ca 0.00 -2.08 -0.32 0.00 -0.01 0.00 0.00 57.90 55.49 1wf6 n TYR 124 Cb 0.03 0.64 -0.05 0.00 -0.02 0.00 0.00 39.34 39.93 1wf6 n TYR 124 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 176.86 176.27 1wf6 s ILE 125 N -1.74 4.91 -0.33 -0.72 -1.09 -0.97 -2.89 121.20 118.37 1wf6 s ILE 125 Ca 0.20 0.51 -0.02 0.00 -2.23 0.00 0.00 60.65 59.11 1wf6 s ILE 125 Cb 0.40 -3.62 0.06 0.00 -1.58 0.00 0.00 42.46 37.72 1wf6 s ILE 125 CO -0.06 -0.07 0.06 -2.28 -1.23 0.00 0.00 174.94 171.35 1wf6 s HIS 126 N -1.82 3.35 0.45 3.97 2.46 -0.44 -4.87 115.29 118.40 1wf6 s HIS 126 Ca 0.48 -1.98 0.06 0.00 0.47 0.00 0.00 55.06 54.09 1wf6 s HIS 126 Cb -0.11 -2.39 -0.02 0.00 -0.13 0.00 0.00 32.58 29.92 1wf6 s HIS 126 CO 0.21 -0.84 0.24 0.45 -2.47 0.00 0.00 174.74 172.33 1wf6 s SER 127 N 1.38 4.53 -0.26 9.88 0.15 -1.26 -4.95 113.70 123.17 1wf6 s SER 127 Ca -0.01 -1.13 0.02 0.00 0.70 0.00 0.00 55.95 55.52 1wf6 s SER 127 Cb -0.20 -0.18 0.07 0.00 -1.71 0.00 0.00 66.02 63.99 1wf6 s SER 127 CO -0.02 -0.72 -0.04 -0.83 1.20 0.00 0.00 173.24 172.83 1wf6 s GLY 128 N -4.02 1.44 0.05 9.45 0.00 -1.26 -4.99 107.32 107.99 1wf6 s GLY 128 Ca 0.37 -1.62 -0.17 0.00 0.00 0.00 0.00 44.72 43.30 1wf6 s GLY 128 CO 0.21 0.91 1.18 -0.56 0.00 0.00 0.00 173.10 174.84 1wf6 h PRO 129 N 7.88 0.58 -6.21 2.90 0.13 -2.06 -3.49 132.00 131.74 1wf6 h PRO 129 Ca -0.16 -0.56 0.00 0.00 -0.87 0.00 0.00 66.00 64.41 1wf6 h PRO 129 Cb 1.05 0.14 -0.00 0.00 0.13 0.00 0.00 31.00 32.33 1wf6 h PRO 129 CO 0.44 1.18 -0.83 0.43 -0.23 0.00 0.00 178.00 179.00 1wf6 n SER 130 N -4.08 -6.75 -4.07 1.44 7.64 -1.26 -4.98 113.62 101.56 1wf6 n SER 130 Ca -0.10 0.61 -0.26 0.00 1.01 0.00 0.00 58.87 60.14 1wf6 n SER 130 Cb 0.73 -1.94 -0.16 0.00 -1.01 0.00 0.00 64.21 61.82 1wf6 n SER 130 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 1wf6 s SER 131 N -0.86 2.00 0.00 6.43 0.01 -1.26 -5.34 113.70 114.68 1wf6 s SER 131 Ca -0.01 -0.34 0.00 0.00 1.31 0.00 0.00 55.95 56.92 1wf6 s SER 131 Cb 0.00 -0.81 0.00 0.00 0.21 0.00 0.00 66.02 65.42 1wf6 s SER 131 CO 0.08 0.08 0.00 0.61 0.41 0.00 0.00 173.24 174.42