#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wyn n SER 2 N 0.00 -2.77 -0.13 1.61 3.41 -1.26 -4.98 113.62 109.51 1wyn n SER 2 Ca 0.00 0.20 -0.26 0.00 -0.26 0.00 0.00 58.87 58.55 1wyn n SER 2 Cb 0.00 -1.06 -0.09 0.00 -0.26 0.00 0.00 64.21 62.81 1wyn n SER 2 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1wyn n SER 3 N -0.48 1.90 0.00 4.04 7.64 -1.26 -5.13 113.62 120.33 1wyn n SER 3 Ca 0.04 0.33 0.00 0.00 1.01 0.00 0.00 58.87 60.25 1wyn n SER 3 Cb 0.57 -0.78 0.00 0.00 -1.01 0.00 0.00 64.21 62.98 1wyn n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1wyn n GLY 4 N 1.34 -2.12 3.09 0.23 0.00 -1.26 -5.05 105.19 101.42 1wyn n GLY 4 Ca -0.47 -2.09 -0.12 0.00 0.00 0.00 0.00 46.02 43.35 1wyn n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1wyn s SER 5 N -3.12 0.93 0.79 1.61 1.04 -1.26 -5.14 113.70 108.55 1wyn s SER 5 Ca 0.00 -0.69 -0.16 0.00 0.48 0.00 0.00 55.95 55.58 1wyn s SER 5 Cb 0.00 0.06 -0.05 0.00 0.10 0.00 0.00 66.02 66.12 1wyn s SER 5 CO 0.00 -0.29 0.24 -0.24 0.98 0.00 0.00 173.24 173.93 1wyn n SER 6 N 1.00 -2.34 -4.51 7.02 2.88 -1.26 -4.99 113.62 111.42 1wyn n SER 6 Ca -0.20 0.48 -0.30 0.00 -1.33 0.00 0.00 58.87 57.53 1wyn n SER 6 Cb 0.57 -1.11 -0.11 0.00 -0.75 0.00 0.00 64.21 62.80 1wyn n SER 6 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 1wyn s GLY 7 N -1.47 1.69 -0.33 0.46 0.00 -1.26 -5.05 107.32 101.36 1wyn s GLY 7 Ca 0.59 -1.27 -0.36 0.00 0.00 0.00 0.00 44.72 43.68 1wyn s GLY 7 CO 0.64 -1.22 2.13 1.16 0.00 0.00 0.00 173.10 175.81 1wyn n ASN 8 N 1.00 2.17 -4.81 1.64 6.94 -1.26 -4.93 115.26 116.00 1wyn n ASN 8 Ca -0.15 0.51 -0.23 0.00 -0.02 0.00 0.00 54.58 54.69 1wyn n ASN 8 Cb 0.52 -1.24 0.08 0.00 -2.36 0.00 0.00 39.78 36.78 1wyn n ASN 8 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1wyn s ARG 9 N 5.86 2.04 -0.18 -3.83 1.04 -1.26 -5.09 118.95 117.53 1wyn s ARG 9 Ca 1.08 -0.81 -0.02 0.00 -1.04 0.00 0.00 55.73 54.94 1wyn s ARG 9 Cb -0.89 -2.34 -0.01 0.00 -2.04 0.00 0.00 34.95 29.67 1wyn s ARG 9 CO 0.51 -1.18 -0.09 -0.51 -0.04 0.00 0.00 175.30 173.99 1wyn s LEU 10 N -5.05 2.77 -1.09 -1.89 1.43 -1.26 -5.02 118.68 108.56 1wyn s LEU 10 Ca 0.62 -0.39 -0.26 0.00 -1.03 0.00 0.00 54.13 53.08 1wyn s LEU 10 Cb -0.08 -1.67 -0.19 0.00 0.03 0.00 0.00 46.19 44.28 1wyn s LEU 10 CO 0.43 0.05 2.09 -0.76 0.23 0.00 0.00 176.35 178.39 1wyn s LEU 11 N 1.05 2.53 -0.18 1.79 2.01 -1.26 -4.79 118.68 119.83 1wyn s LEU 11 Ca -0.00 -1.07 -0.22 0.00 0.01 0.00 0.00 54.13 52.85 1wyn s LEU 11 Cb -0.15 -2.59 0.06 0.00 0.01 0.00 0.00 46.19 43.52 1wyn s LEU 11 CO -0.01 -4.37 0.59 -0.44 1.01 0.00 0.00 176.35 173.13 1wyn s SER 12 N 8.22 -0.60 0.00 2.29 0.01 -1.26 -5.03 113.70 117.33 1wyn s SER 12 Ca 0.79 1.04 0.15 0.00 1.31 0.00 0.00 55.95 59.24 1wyn s SER 12 Cb -0.05 1.04 0.04 0.00 0.21 0.00 0.00 66.02 67.26 1wyn s SER 12 CO 0.16 -0.30 0.87 0.29 0.41 0.00 0.00 173.24 174.68 1wyn n LYS 13 N 2.31 1.56 -3.56 12.44 5.02 -1.26 -4.92 118.16 129.75 1wyn n LYS 13 Ca -0.15 -0.99 -0.06 0.00 -2.02 0.00 0.00 58.31 55.08 1wyn n LYS 13 Cb 0.56 -1.26 -0.02 0.00 -0.02 0.00 0.00 35.03 34.30 1wyn n LYS 13 CO 0.00 0.00 0.00 -0.47 -0.52 0.00 0.00 177.40 176.41 1wyn s TYR 14 N -1.62 -0.25 -0.29 2.13 6.14 -1.26 -4.46 117.35 117.73 1wyn s TYR 14 Ca 0.14 0.12 -0.16 0.00 0.64 0.00 0.00 57.07 57.81 1wyn s TYR 14 Cb 0.12 0.54 0.17 0.00 0.42 0.00 0.00 41.96 43.22 1wyn s TYR 14 CO 0.31 -0.47 1.08 0.34 0.64 0.00 0.00 175.55 177.45 1wyn s ASP 15 N -2.47 -0.36 0.49 4.32 2.15 -1.26 -5.02 116.67 114.51 1wyn s ASP 15 Ca 0.07 0.56 0.28 0.00 0.43 0.00 0.00 52.55 53.89 1wyn s ASP 15 Cb -0.01 1.21 1.17 0.00 -0.30 0.00 0.00 42.92 44.99 1wyn s ASP 15 CO -0.06 -0.09 1.92 1.55 -0.17 0.00 0.00 175.17 178.32 1wyn h PRO 16 N 6.05 0.00 0.14 4.34 0.13 -2.02 -2.02 132.00 138.63 1wyn h PRO 16 Ca -0.25 0.00 -0.35 0.00 -0.87 0.00 0.00 66.00 64.53 1wyn h PRO 16 Cb 1.17 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.29 1wyn h PRO 16 CO 0.18 0.15 -1.88 -0.56 -0.23 0.00 0.00 178.00 175.66 1wyn h GLN 17 N 0.00 0.30 -0.19 0.86 3.07 -2.02 -3.39 115.11 113.74 1wyn h GLN 17 Ca -0.00 -0.51 -0.03 0.00 0.09 0.00 0.00 58.65 58.20 1wyn h GLN 17 Cb 0.60 0.19 -0.01 0.00 0.08 0.00 0.00 27.48 28.34 1wyn h GLN 17 CO 0.02 1.25 0.01 0.87 0.09 0.00 0.00 178.83 181.07 1wyn h LYS 18 N 0.04 0.33 -0.92 0.06 1.79 -1.95 -3.08 116.57 112.85 1wyn h LYS 18 Ca -0.39 -0.10 0.26 0.00 -2.18 0.00 0.00 60.65 58.24 1wyn h LYS 18 Cb 2.03 -0.03 -0.17 0.00 -1.58 0.00 0.00 32.23 32.47 1wyn h LYS 18 CO 0.11 0.51 0.05 -1.91 -1.08 0.00 0.00 179.45 177.14 1wyn n GLU 19 N -4.72 -0.07 -0.31 3.15 2.13 -0.76 0.19 120.64 120.24 1wyn n GLU 19 Ca -0.04 1.37 -0.05 0.00 0.66 0.00 0.00 57.16 59.10 1wyn n GLU 19 Cb 0.21 -2.20 0.07 0.00 0.27 0.00 0.00 31.44 29.79 1wyn n GLU 19 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1wyn h ALA 20 N 1.84 1.08 -0.85 4.31 0.00 -1.72 -2.61 119.26 121.31 1wyn h ALA 20 Ca 0.57 -0.15 0.07 0.00 0.00 0.00 0.00 54.91 55.40 1wyn h ALA 20 Cb 1.22 -0.33 -0.07 0.00 0.00 0.00 0.00 17.79 18.61 1wyn h ALA 20 CO -0.85 0.63 0.52 0.93 0.00 0.00 0.00 179.25 180.48 1wyn h GLU 21 N 1.19 0.90 0.13 0.00 5.08 0.21 -0.85 114.58 121.22 1wyn h GLU 21 Ca 0.29 -0.05 -0.01 0.00 -1.00 0.00 0.00 59.36 58.59 1wyn h GLU 21 Cb 0.10 -0.20 0.00 0.00 0.50 0.00 0.00 28.75 29.15 1wyn h GLU 21 CO -0.04 0.59 -0.06 -0.07 -1.00 0.00 0.00 179.01 178.43 1wyn h LEU 22 N 0.92 -0.15 -1.08 1.33 3.38 -1.04 0.91 115.31 119.59 1wyn h LEU 22 Ca 0.38 0.01 0.33 0.00 0.09 0.00 0.00 57.88 58.69 1wyn h LEU 22 Cb 0.23 0.04 -0.14 0.00 0.09 0.00 0.00 40.66 40.88 1wyn h LEU 22 CO -0.20 -0.10 0.61 0.08 0.09 0.00 0.00 178.44 178.93 1wyn h ARG 23 N -0.19 0.29 -0.04 1.13 0.11 -1.47 1.27 114.38 115.49 1wyn h ARG 23 Ca -0.02 -0.02 -0.13 0.00 0.10 0.00 0.00 59.98 59.92 1wyn h ARG 23 Cb 0.13 -0.06 -0.01 0.00 1.11 0.00 0.00 29.97 31.13 1wyn h ARG 23 CO 0.03 0.19 -0.56 1.15 0.10 0.00 0.00 179.97 180.88 1wyn h THR 24 N 0.29 1.39 0.00 0.08 2.02 -1.06 0.36 112.91 115.99 1wyn h THR 24 Ca 0.74 -1.91 -0.11 0.00 0.77 0.00 0.00 66.41 65.90 1wyn h THR 24 Cb 1.78 1.99 -0.02 0.00 -1.74 0.00 0.00 68.15 70.17 1wyn h THR 24 CO -0.56 0.55 -0.70 -0.25 0.37 0.00 0.00 175.52 174.93 1wyn h TRP 25 N 0.08 0.00 0.00 3.16 7.01 0.39 -3.30 115.95 123.29 1wyn h TRP 25 Ca -0.00 0.00 -0.14 0.00 2.11 0.00 0.00 58.89 60.85 1wyn h TRP 25 Cb 1.02 0.00 -0.02 0.00 -2.10 0.00 0.00 29.16 28.06 1wyn h TRP 25 CO 0.01 0.48 -0.98 -0.89 -2.79 0.00 0.00 178.44 174.26 1wyn n ILE 26 N -3.13 1.49 -0.32 2.65 5.41 0.15 -3.43 119.36 122.18 1wyn n ILE 26 Ca -0.00 0.07 0.23 0.00 1.00 0.00 0.00 62.75 64.04 1wyn n ILE 26 Cb 0.74 -2.18 0.44 0.00 -0.71 0.00 0.00 39.64 37.93 1wyn n ILE 26 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 176.55 176.22 1wyn h GLU 27 N -1.00 0.11 -0.14 0.38 5.08 -0.46 0.55 114.58 119.10 1wyn h GLU 27 Ca -0.21 -0.01 -0.21 0.00 -1.00 0.00 0.00 59.36 57.93 1wyn h GLU 27 Cb 0.99 -0.02 0.01 0.00 0.50 0.00 0.00 28.75 30.22 1wyn h GLU 27 CO -0.13 0.07 -0.76 0.78 -1.00 0.00 0.00 179.01 177.97 1wyn h GLY 28 N 0.11 0.79 0.77 -3.84 0.00 -1.74 1.12 103.07 100.28 1wyn h GLY 28 Ca 0.71 -1.11 -0.02 0.00 0.00 0.00 0.00 47.33 46.91 1wyn h GLY 28 CO -0.75 0.99 -0.42 1.41 0.00 0.00 0.00 176.54 177.77 1wyn h LEU 29 N 0.49 -1.09 0.01 3.11 3.38 0.03 -3.20 115.31 118.04 1wyn h LEU 29 Ca -0.05 0.07 -0.25 0.00 0.09 0.00 0.00 57.88 57.74 1wyn h LEU 29 Cb 1.38 0.33 -0.04 0.00 0.09 0.00 0.00 40.66 42.42 1wyn h LEU 29 CO 0.15 -0.63 -1.32 0.71 0.09 0.00 0.00 178.44 177.44 1wyn h THR 30 N -0.99 1.33 0.00 0.22 1.35 -1.35 -3.48 112.91 109.98 1wyn h THR 30 Ca -0.07 -3.09 0.00 0.00 -0.55 0.00 0.00 66.41 62.69 1wyn h THR 30 Cb 0.82 2.67 0.00 0.00 -1.73 0.00 0.00 68.15 69.91 1wyn h THR 30 CO 0.05 0.77 0.00 0.61 -0.25 0.00 0.00 175.52 176.69 1wyn n GLY 31 N 1.45 0.55 2.30 5.82 0.00 0.39 -5.05 105.19 110.65 1wyn n GLY 31 Ca -0.08 -0.35 -0.12 0.00 0.00 0.00 0.00 46.02 45.47 1wyn n GLY 31 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1wyn n LEU 32 N 0.00 0.00 -4.20 0.99 4.77 -1.13 -4.97 117.00 112.46 1wyn n LEU 32 Ca 0.00 -1.40 -0.29 0.00 -0.03 0.00 0.00 56.01 54.29 1wyn n LEU 32 Cb 0.00 -0.29 -0.16 0.00 -2.33 0.00 0.00 43.42 40.63 1wyn n LEU 32 CO 0.00 -0.68 -0.53 -0.55 -1.33 0.00 0.00 177.39 174.30 1wyn s SER 33 N -3.21 2.61 0.03 -1.43 0.15 -1.26 -4.66 113.70 105.93 1wyn s SER 33 Ca 0.37 -0.43 -0.11 0.00 0.70 0.00 0.00 55.95 56.47 1wyn s SER 33 Cb -0.03 -0.76 -0.33 0.00 -1.71 0.00 0.00 66.02 63.19 1wyn s SER 33 CO 0.24 0.19 1.00 0.40 1.20 0.00 0.00 173.24 176.27 1wyn h ILE 34 N 5.21 1.30 0.00 6.45 2.04 -1.91 -3.49 117.51 127.12 1wyn h ILE 34 Ca -0.31 -2.79 0.00 0.00 1.00 0.00 0.00 64.86 62.75 1wyn h ILE 34 Cb 1.18 2.98 0.00 0.00 -0.74 0.00 0.00 36.82 40.24 1wyn h ILE 34 CO 0.47 0.84 0.00 0.61 0.00 0.00 0.00 178.15 180.07 1wyn n GLY 35 N 1.68 -1.03 0.00 5.37 0.00 -1.26 -3.80 105.19 106.15 1wyn n GLY 35 Ca -0.15 -2.20 0.08 0.00 0.00 0.00 0.00 46.02 43.75 1wyn n GLY 35 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1wyn n PRO 36 N -0.16 0.45 -3.83 1.61 -0.04 -1.26 -4.68 135.00 127.09 1wyn n PRO 36 Ca 0.00 0.02 -0.12 0.00 -0.04 0.00 0.00 63.50 63.36 1wyn n PRO 36 Cb 0.00 -1.50 -0.11 0.00 -0.04 0.00 0.00 33.50 31.85 1wyn n PRO 36 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1wyn s ASP 37 N -2.08 -0.10 -0.11 3.54 1.01 -1.26 -5.09 116.67 112.59 1wyn s ASP 37 Ca 0.22 0.08 -0.05 0.00 0.71 0.00 0.00 52.55 53.51 1wyn s ASP 37 Cb 0.10 0.30 -0.02 0.00 1.01 0.00 0.00 42.92 44.32 1wyn s ASP 37 CO 0.18 -0.25 -0.10 0.15 0.21 0.00 0.00 175.17 175.36 1wyn h PHE 38 N 4.88 0.00 -0.92 4.23 3.57 -1.88 -2.70 116.94 124.12 1wyn h PHE 38 Ca -0.28 0.00 0.26 0.00 3.53 0.00 0.00 57.97 61.48 1wyn h PHE 38 Cb 1.19 0.00 -0.15 0.00 2.79 0.00 0.00 35.95 39.78 1wyn h PHE 38 CO 0.51 0.00 0.27 0.37 -2.23 0.00 0.00 178.31 177.23 1wyn h GLN 39 N -0.84 0.17 0.08 1.11 -0.00 -1.97 -0.67 115.11 112.99 1wyn h GLN 39 Ca 0.00 -0.01 -0.00 0.00 -0.00 0.00 0.00 58.65 58.64 1wyn h GLN 39 Cb 0.28 -0.04 0.00 0.00 0.00 0.00 0.00 27.48 27.72 1wyn h GLN 39 CO 0.00 0.11 -0.04 0.87 0.00 0.00 0.00 178.83 179.78 1wyn h LYS 40 N 0.18 -0.10 -1.12 1.69 6.56 -1.91 0.44 116.57 122.31 1wyn h LYS 40 Ca 0.60 0.01 0.37 0.00 -1.06 0.00 0.00 60.65 60.57 1wyn h LYS 40 Cb 1.28 0.02 -0.10 0.00 -0.57 0.00 0.00 32.23 32.87 1wyn h LYS 40 CO -0.70 -0.07 0.74 0.41 -2.06 0.00 0.00 179.45 177.78 1wyn n GLY 41 N 1.04 -0.65 0.10 3.86 0.00 -1.02 0.21 105.19 108.74 1wyn n GLY 41 Ca -0.01 0.56 -0.12 0.00 0.00 0.00 0.00 46.02 46.45 1wyn n GLY 41 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1wyn n LEU 42 N -4.05 1.07 0.00 0.99 4.77 -0.29 -4.55 117.00 114.94 1wyn n LEU 42 Ca 0.31 0.14 0.00 0.00 -0.03 0.00 0.00 56.01 56.43 1wyn n LEU 42 Cb 1.24 -0.03 0.00 0.00 -2.33 0.00 0.00 43.42 42.30 1wyn n LEU 42 CO 0.17 0.58 0.33 1.17 -1.33 0.00 0.00 177.39 178.31 1wyn n LYS 43 N -3.01 0.00 -0.51 3.23 4.81 0.55 0.20 118.16 123.43 1wyn n LYS 43 Ca -0.30 0.66 0.42 0.00 -0.87 0.00 0.00 58.31 58.22 1wyn n LYS 43 Cb 1.09 -1.03 0.69 0.00 0.02 0.00 0.00 35.03 35.79 1wyn n LYS 43 CO 0.00 0.00 0.00 -0.40 1.17 0.00 0.00 177.40 178.17 1wyn n ASP 44 N -2.34 0.16 -0.73 3.14 5.75 -1.20 -4.73 116.55 116.60 1wyn n ASP 44 Ca 0.00 1.28 0.00 0.00 -0.01 0.00 0.00 54.79 56.06 1wyn n ASP 44 Cb 0.00 -0.63 0.00 0.00 -1.03 0.00 0.00 41.12 39.46 1wyn n ASP 44 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1wyn n GLY 45 N -1.58 0.61 0.13 6.12 0.00 0.53 -4.22 105.19 106.78 1wyn n GLY 45 Ca 0.40 -0.48 -0.26 0.00 0.00 0.00 0.00 46.02 45.68 1wyn n GLY 45 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1wyn n THR 46 N -1.30 1.54 -0.05 2.61 -2.24 -1.26 -4.47 114.28 109.12 1wyn n THR 46 Ca 0.00 -0.32 -0.07 0.00 -2.27 0.00 0.00 64.05 61.39 1wyn n THR 46 Cb 0.44 -1.87 -0.06 0.00 -2.10 0.00 0.00 70.33 66.74 1wyn n THR 46 CO 0.00 0.00 0.00 0.40 -0.57 0.00 0.00 175.07 174.90 1wyn h ILE 47 N -0.85 0.80 -0.69 2.28 2.04 -1.88 -3.32 117.51 115.89 1wyn h ILE 47 Ca -0.59 -1.56 0.28 0.00 1.00 0.00 0.00 64.86 63.99 1wyn h ILE 47 Cb 1.58 1.51 -0.11 0.00 -0.74 0.00 0.00 36.82 39.06 1wyn h ILE 47 CO -0.31 0.27 0.39 0.18 0.00 0.00 0.00 178.15 178.67 1wyn n LEU 48 N -4.73 0.20 0.32 1.44 4.77 -1.26 0.65 117.00 118.39 1wyn n LEU 48 Ca -0.05 1.02 -0.13 0.00 -0.03 0.00 0.00 56.01 56.82 1wyn n LEU 48 Cb 0.22 -0.50 -0.06 0.00 -2.33 0.00 0.00 43.42 40.75 1wyn n LEU 48 CO 0.16 -1.13 0.39 0.00 -1.33 0.00 0.00 177.39 175.48 1wyn h THR 50 N -1.07 0.49 -0.88 0.00 1.35 0.11 -0.93 112.91 111.99 1wyn h THR 50 Ca -0.09 -0.03 0.19 0.00 -0.55 0.00 0.00 66.41 65.93 1wyn h THR 50 Cb 0.64 0.39 -0.17 0.00 -1.73 0.00 0.00 68.15 67.29 1wyn h THR 50 CO 0.14 0.02 -0.15 0.25 -0.25 0.00 0.00 175.52 175.53 1wyn h LEU 51 N 0.10 -0.70 0.31 3.87 5.85 -1.22 -0.10 115.31 123.42 1wyn h LEU 51 Ca 0.31 0.26 -0.02 0.00 0.84 0.00 0.00 57.88 59.27 1wyn h LEU 51 Cb 0.49 0.51 0.00 0.00 0.37 0.00 0.00 40.66 42.03 1wyn h LEU 51 CO -0.53 -0.29 -0.15 -0.03 -0.34 0.00 0.00 178.44 177.11 1wyn h MET 52 N 0.02 -0.40 -1.26 1.25 4.05 -1.14 -2.75 114.93 114.69 1wyn h MET 52 Ca 0.45 0.03 0.37 0.00 -0.28 0.00 0.00 59.70 60.26 1wyn h MET 52 Cb 0.75 0.09 -0.05 0.00 -0.80 0.00 0.00 31.60 31.59 1wyn h MET 52 CO -0.88 -0.11 1.02 -0.91 0.23 0.00 0.00 176.91 176.26 1wyn h ASN 53 N -0.68 0.00 0.03 1.39 2.35 -0.51 0.69 115.58 118.86 1wyn h ASN 53 Ca -0.04 0.00 -0.17 0.00 -0.55 0.00 0.00 56.30 55.54 1wyn h ASN 53 Cb 0.47 0.00 0.02 0.00 0.05 0.00 0.00 38.32 38.86 1wyn h ASN 53 CO 0.07 0.00 -0.69 0.11 -1.65 0.00 0.00 177.43 175.27 1wyn h LYS 54 N 0.00 0.41 0.40 0.81 1.79 -0.94 -3.37 116.57 115.66 1wyn h LYS 54 Ca 0.60 -0.48 -0.02 0.00 -2.18 0.00 0.00 60.65 58.56 1wyn h LYS 54 Cb 2.64 0.15 0.00 0.00 -1.58 0.00 0.00 32.23 33.44 1wyn h LYS 54 CO -0.01 1.15 -0.19 -0.07 -1.08 0.00 0.00 179.45 179.25 1wyn h LEU 55 N -0.12 -0.46 -8.98 2.94 3.38 0.48 -3.43 115.31 109.12 1wyn h LEU 55 Ca -0.10 -0.10 -0.62 0.00 0.09 0.00 0.00 57.88 57.15 1wyn h LEU 55 Cb 1.42 0.12 -0.17 0.00 0.09 0.00 0.00 40.66 42.11 1wyn h LEU 55 CO 0.13 -0.03 -0.57 -1.58 0.09 0.00 0.00 178.44 176.48 1wyn s GLN 56 N -4.00 3.91 -1.01 1.13 0.74 0.26 -5.03 119.66 115.66 1wyn s GLN 56 Ca -0.12 -0.37 -0.24 0.00 0.05 0.00 0.00 55.36 54.68 1wyn s GLN 56 Cb 0.01 -3.28 -0.06 0.00 1.10 0.00 0.00 33.01 30.78 1wyn s GLN 56 CO 0.41 0.13 1.94 -1.25 -0.55 0.00 0.00 175.29 175.97 1wyn s PRO 57 N 0.76 2.54 0.00 1.67 0.04 -1.26 -3.26 135.00 135.50 1wyn s PRO 57 Ca 0.04 -0.62 0.00 0.00 0.04 0.00 0.00 61.00 60.46 1wyn s PRO 57 Cb -0.13 -5.13 0.00 0.00 0.04 0.00 0.00 34.50 29.28 1wyn s PRO 57 CO 0.02 -3.59 0.00 0.41 0.04 0.00 0.00 177.00 173.88 1wyn n GLY 58 N 6.47 0.68 0.05 0.56 0.00 -1.26 -5.09 105.19 106.60 1wyn n GLY 58 Ca 0.42 -0.30 -0.04 0.00 0.00 0.00 0.00 46.02 46.09 1wyn n GLY 58 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1wyn n SER 59 N 0.00 1.10 -4.72 1.61 3.41 -1.20 -4.94 113.62 108.88 1wyn n SER 59 Ca 0.00 0.32 -0.39 0.00 -0.26 0.00 0.00 58.87 58.53 1wyn n SER 59 Cb 0.00 -0.67 -0.05 0.00 -0.26 0.00 0.00 64.21 63.23 1wyn n SER 59 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 1wyn s VAL 60 N -1.95 5.08 -0.01 -3.33 1.01 -1.26 -4.86 120.40 115.08 1wyn s VAL 60 Ca -0.13 1.32 -0.25 0.00 0.00 0.00 0.00 61.98 62.92 1wyn s VAL 60 Cb 0.02 -3.98 -0.19 0.00 0.00 0.00 0.00 36.38 32.22 1wyn s VAL 60 CO 0.20 0.28 1.28 1.55 0.00 0.00 0.00 175.10 178.41 1wyn h PRO 61 N 6.71 0.06 -3.11 2.72 0.13 -1.95 -3.48 132.00 133.06 1wyn h PRO 61 Ca -0.41 -0.03 0.00 0.00 -0.87 0.00 0.00 66.00 64.69 1wyn h PRO 61 Cb 1.19 0.00 -0.09 0.00 0.13 0.00 0.00 31.00 32.23 1wyn h PRO 61 CO 0.75 0.52 0.15 0.21 -0.23 0.00 0.00 178.00 179.40 1wyn s LYS 62 N -4.27 1.45 -0.09 0.86 2.20 -1.26 -5.17 119.74 113.47 1wyn s LYS 62 Ca -0.16 -0.76 0.03 0.00 -0.36 0.00 0.00 55.97 54.73 1wyn s LYS 62 Cb 0.02 0.57 0.01 0.00 -1.51 0.00 0.00 37.83 36.92 1wyn s LYS 62 CO 0.69 -0.64 -0.19 0.42 -0.36 0.00 0.00 175.35 175.27 1wyn s ILE 63 N -3.84 1.68 -0.58 5.43 1.01 -1.26 -4.92 121.20 118.72 1wyn s ILE 63 Ca 0.07 -0.80 -0.23 0.00 0.00 0.00 0.00 60.65 59.69 1wyn s ILE 63 Cb -0.02 -1.48 0.05 0.00 0.01 0.00 0.00 42.46 41.02 1wyn s ILE 63 CO -0.04 0.48 0.91 0.20 0.00 0.00 0.00 174.94 176.49 1wyn s ASN 64 N 0.48 6.28 -0.35 3.58 0.01 -1.26 -4.91 114.94 118.76 1wyn s ASN 64 Ca -0.17 -0.59 -0.02 0.00 -0.71 0.00 0.00 52.86 51.37 1wyn s ASN 64 Cb -0.17 -2.42 0.15 0.00 0.41 0.00 0.00 41.25 39.22 1wyn s ASN 64 CO 0.07 -1.25 2.32 -1.14 -1.51 0.00 0.00 177.10 175.58 1wyn n ARG 65 N 7.40 2.01 -4.55 -0.60 3.00 -1.26 -4.72 116.66 117.94 1wyn n ARG 65 Ca -0.01 -1.81 -0.32 0.00 -0.00 0.00 0.00 57.85 55.71 1wyn n ARG 65 Cb 0.47 -1.80 -0.05 0.00 0.00 0.00 0.00 32.46 31.07 1wyn n ARG 65 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.63 176.51 1wyn s SER 66 N 0.28 4.28 -0.09 6.15 0.01 -1.26 -5.06 113.70 118.00 1wyn s SER 66 Ca 0.41 -1.58 0.15 0.00 1.31 0.00 0.00 55.95 56.25 1wyn s SER 66 Cb 0.29 0.59 -0.23 0.00 0.21 0.00 0.00 66.02 66.88 1wyn s SER 66 CO -0.08 -0.96 0.46 0.80 0.41 0.00 0.00 173.24 173.87 1wyn n MET 67 N -1.43 0.65 -1.41 12.44 1.56 -1.26 -4.73 117.12 122.95 1wyn n MET 67 Ca -0.16 0.18 -0.52 0.00 -0.27 0.00 0.00 57.70 56.93 1wyn n MET 67 Cb 0.66 -1.69 -0.05 0.00 2.15 0.00 0.00 33.22 34.29 1wyn n MET 67 CO 0.00 0.00 0.00 1.04 -0.73 0.00 0.00 175.97 176.28 1wyn n GLN 68 N -2.92 0.00 0.50 2.12 3.00 -1.26 -4.75 117.38 114.08 1wyn n GLN 68 Ca -0.22 0.00 -0.20 0.00 -0.01 0.00 0.00 57.00 56.57 1wyn n GLN 68 Cb 1.07 -1.21 -0.10 0.00 0.00 0.00 0.00 30.24 30.00 1wyn n GLN 68 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.06 176.15 1wyn h ASN 69 N 1.93 -1.13 -1.22 1.08 4.21 -1.99 -1.74 115.58 116.72 1wyn h ASN 69 Ca -0.38 0.04 0.35 0.00 1.21 0.00 0.00 56.30 57.52 1wyn h ASN 69 Cb 1.39 0.30 -0.08 0.00 -1.12 0.00 0.00 38.32 38.81 1wyn h ASN 69 CO 0.59 -0.79 0.83 4.11 -1.29 0.00 0.00 177.43 180.88 1wyn h TRP 70 N -1.30 0.34 -0.19 1.19 0.09 -1.99 0.40 115.95 114.50 1wyn h TRP 70 Ca -0.13 0.01 -0.08 0.00 0.09 0.00 0.00 58.89 58.78 1wyn h TRP 70 Cb 1.00 -0.10 -0.00 0.00 0.08 0.00 0.00 29.16 30.14 1wyn h TRP 70 CO -0.01 -0.02 -0.21 0.45 0.09 0.00 0.00 178.44 178.74 1wyn h HIS 71 N 0.16 0.58 -0.41 0.12 3.86 -1.79 -2.04 115.15 115.62 1wyn h HIS 71 Ca 0.66 -0.18 -0.08 0.00 -1.16 0.00 0.00 60.37 59.61 1wyn h HIS 71 Cb 2.17 -0.12 -0.01 0.00 1.06 0.00 0.00 27.41 30.51 1wyn h HIS 71 CO -0.00 0.85 -0.04 1.96 0.86 0.00 0.00 177.93 181.56 1wyn h GLN 72 N 0.13 0.75 0.36 2.45 4.20 0.55 -3.17 115.11 120.39 1wyn h GLN 72 Ca 0.03 -0.26 -0.02 0.00 0.06 0.00 0.00 58.65 58.46 1wyn h GLN 72 Cb 0.77 -0.06 0.00 0.00 0.30 0.00 0.00 27.48 28.49 1wyn h GLN 72 CO 0.05 0.86 -0.17 -0.07 -0.67 0.00 0.00 178.83 178.83 1wyn h LEU 73 N 0.58 -0.41 -0.94 1.46 -0.00 -0.88 -2.83 115.31 112.29 1wyn h LEU 73 Ca 0.11 0.01 0.25 0.00 -0.00 0.00 0.00 57.88 58.25 1wyn h LEU 73 Cb 0.54 0.11 -0.17 0.00 -0.00 0.00 0.00 40.66 41.14 1wyn h LEU 73 CO 0.03 -0.28 0.05 -0.08 -0.00 0.00 0.00 178.44 178.15 1wyn h GLU 74 N -0.49 0.04 -0.42 1.13 4.81 -1.37 0.18 114.58 118.46 1wyn h GLU 74 Ca -0.05 -0.00 0.05 0.00 -0.13 0.00 0.00 59.36 59.23 1wyn h GLU 74 Cb 0.38 -0.01 -0.08 0.00 0.63 0.00 0.00 28.75 29.66 1wyn h GLU 74 CO 0.08 0.03 -0.56 -0.91 -0.73 0.00 0.00 179.01 176.92 1wyn h ASN 75 N 0.04 -1.86 -0.17 1.04 2.35 -1.47 0.20 115.58 115.70 1wyn h ASN 75 Ca 0.57 0.24 0.03 0.00 -0.55 0.00 0.00 56.30 56.59 1wyn h ASN 75 Cb 1.14 0.76 -0.02 0.00 0.05 0.00 0.00 38.32 40.25 1wyn h ASN 75 CO -0.86 -0.40 0.01 -0.07 -1.65 0.00 0.00 177.43 174.47 1wyn h LEU 76 N -0.39 -0.03 -1.18 1.61 3.38 -1.06 -0.68 115.31 116.96 1wyn h LEU 76 Ca 0.07 0.03 0.20 0.00 0.09 0.00 0.00 57.88 58.28 1wyn h LEU 76 Cb 0.59 0.05 -0.09 0.00 0.09 0.00 0.00 40.66 41.30 1wyn h LEU 76 CO -0.60 0.01 0.62 0.28 0.09 0.00 0.00 178.44 178.84 1wyn h SER 77 N 0.08 0.66 0.01 -0.43 0.02 -0.38 0.15 113.55 113.65 1wyn h SER 77 Ca 0.08 0.08 -0.00 0.00 -0.84 0.00 0.00 61.79 61.11 1wyn h SER 77 Cb 0.09 -0.04 0.00 0.00 0.14 0.00 0.00 62.40 62.59 1wyn h SER 77 CO -0.12 0.23 -0.01 0.78 -1.14 0.00 0.00 176.83 176.57 1wyn h ASN 78 N 0.64 -0.02 -0.05 3.07 2.35 0.11 -3.08 115.58 118.59 1wyn h ASN 78 Ca 0.55 -0.60 0.03 0.00 -0.55 0.00 0.00 56.30 55.74 1wyn h ASN 78 Cb 1.03 0.00 -0.04 0.00 0.05 0.00 0.00 38.32 39.37 1wyn h ASN 78 CO -0.32 0.60 -0.16 0.15 -1.65 0.00 0.00 177.43 176.05 1wyn h PHE 79 N -0.64 -0.41 -0.24 1.19 3.57 -0.21 -2.11 116.94 118.10 1wyn h PHE 79 Ca -0.00 0.02 0.03 0.00 3.53 0.00 0.00 57.97 61.55 1wyn h PHE 79 Cb 0.61 0.19 -0.06 0.00 2.79 0.00 0.00 35.95 39.48 1wyn h PHE 79 CO 0.14 -0.23 -0.48 0.82 -2.23 0.00 0.00 178.31 176.33 1wyn h ILE 80 N -0.24 0.00 -1.02 1.41 2.04 -0.85 0.76 117.51 119.62 1wyn h ILE 80 Ca 0.07 0.00 0.24 0.00 1.00 0.00 0.00 64.86 66.17 1wyn h ILE 80 Cb 0.33 0.00 -0.11 0.00 -0.74 0.00 0.00 36.82 36.31 1wyn h ILE 80 CO -0.19 0.00 0.63 0.11 0.00 0.00 0.00 178.15 178.70 1wyn h LYS 81 N -0.43 0.51 -0.80 2.37 1.57 -1.43 0.20 116.57 118.56 1wyn h LYS 81 Ca 0.04 -0.03 -0.01 0.00 -1.87 0.00 0.00 60.65 58.79 1wyn h LYS 81 Cb 0.55 -0.12 -0.04 0.00 0.08 0.00 0.00 32.23 32.71 1wyn h LYS 81 CO -0.45 0.34 0.48 0.00 -0.57 0.00 0.00 179.45 179.25 1wyn h ALA 82 N 1.67 1.02 -0.33 3.86 0.00 -0.19 -2.77 119.26 122.51 1wyn h ALA 82 Ca 0.61 -0.10 0.04 0.00 0.00 0.00 0.00 54.91 55.46 1wyn h ALA 82 Cb 1.29 -0.32 -0.04 0.00 0.00 0.00 0.00 17.79 18.72 1wyn h ALA 82 CO -0.37 0.49 0.09 0.52 0.00 0.00 0.00 179.25 179.98 1wyn h MET 83 N 1.10 0.21 -0.91 0.00 2.86 0.48 -1.46 114.93 117.21 1wyn h MET 83 Ca 0.29 -0.01 0.17 0.00 -2.06 0.00 0.00 59.70 58.08 1wyn h MET 83 Cb -0.03 -0.05 -0.07 0.00 0.06 0.00 0.00 31.60 31.51 1wyn h MET 83 CO -0.05 0.14 0.59 0.28 1.06 0.00 0.00 176.91 178.92 1wyn h VAL 84 N 0.21 0.76 -0.33 -2.22 2.07 -1.29 -0.42 116.25 115.04 1wyn h VAL 84 Ca 0.15 -0.21 -0.17 0.00 0.82 0.00 0.00 66.70 67.29 1wyn h VAL 84 Cb 0.15 0.11 -0.00 0.00 -1.52 0.00 0.00 31.29 30.03 1wyn h VAL 84 CO -0.18 0.11 -0.46 0.28 0.02 0.00 0.00 177.57 177.34 1wyn h SER 85 N 0.60 0.98 -0.47 0.57 0.02 -1.18 -3.21 113.55 110.87 1wyn h SER 85 Ca 0.47 -0.50 0.08 0.00 -0.84 0.00 0.00 61.79 61.00 1wyn h SER 85 Cb 0.90 -0.28 -0.07 0.00 0.14 0.00 0.00 62.40 63.09 1wyn h SER 85 CO -0.22 1.29 0.08 0.22 -1.14 0.00 0.00 176.83 177.07 1wyn h TYR 86 N 0.70 0.13 0.00 3.45 3.20 -0.30 -3.45 116.97 120.71 1wyn h TYR 86 Ca 0.04 0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.94 1wyn h TYR 86 Cb 1.07 0.01 0.00 0.00 1.54 0.00 0.00 36.73 39.35 1wyn h TYR 86 CO 0.07 -0.01 0.00 0.41 -1.64 0.00 0.00 178.16 176.99 1wyn n GLY 87 N -1.28 0.03 3.94 1.82 0.00 -1.01 -5.13 105.19 103.56 1wyn n GLY 87 Ca 0.05 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.83 1wyn n GLY 87 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1wyn s MET 88 N 0.00 3.47 0.58 1.61 -1.94 -1.18 -5.06 119.30 116.78 1wyn s MET 88 Ca 0.00 -0.33 -0.09 0.00 -1.71 0.00 0.00 55.69 53.56 1wyn s MET 88 Cb 0.00 -2.65 -0.03 0.00 2.01 0.00 0.00 34.83 34.16 1wyn s MET 88 CO 0.00 0.13 0.95 -0.80 -0.01 0.00 0.00 175.02 175.28 1wyn s ASN 89 N -4.04 6.05 0.02 3.03 -0.87 -1.26 -4.74 114.94 113.12 1wyn s ASN 89 Ca 0.40 1.14 0.15 0.00 -1.57 0.00 0.00 52.86 52.98 1wyn s ASN 89 Cb -0.10 -2.23 0.64 0.00 -0.02 0.00 0.00 41.25 39.54 1wyn s ASN 89 CO 0.36 -0.87 1.47 -0.81 -2.57 0.00 0.00 177.10 174.69 1wyn n PRO 90 N -2.61 0.02 -0.00 -0.60 -0.04 -1.26 -2.06 135.00 128.45 1wyn n PRO 90 Ca 0.04 0.27 0.08 0.00 -0.04 0.00 0.00 63.50 63.86 1wyn n PRO 90 Cb 0.55 -1.53 -0.10 0.00 -0.04 0.00 0.00 33.50 32.38 1wyn n PRO 90 CO 0.00 0.00 0.00 1.33 -0.04 0.00 0.00 175.50 176.79 1wyn n VAL 91 N -1.56 0.00 -0.66 0.52 0.24 -1.26 -4.28 118.33 111.33 1wyn n VAL 91 Ca 0.03 -0.09 0.02 0.00 -2.04 0.00 0.00 64.34 62.26 1wyn n VAL 91 Cb 0.17 0.97 0.32 0.00 -1.47 0.00 0.00 33.84 33.83 1wyn n VAL 91 CO 0.00 0.00 0.00 0.47 -2.14 0.00 0.00 176.83 175.16 1wyn n ASP 92 N -1.44 4.86 -4.89 -1.34 9.92 -0.87 -4.93 116.55 117.86 1wyn n ASP 92 Ca 0.03 -2.88 -0.27 0.00 -0.53 0.00 0.00 54.79 51.15 1wyn n ASP 92 Cb 0.28 -0.68 -0.01 0.00 -0.64 0.00 0.00 41.12 40.07 1wyn n ASP 92 CO 0.00 0.00 0.00 -0.76 0.13 0.00 0.00 177.20 176.57 1wyn s LEU 93 N -2.42 2.66 0.06 0.64 1.43 -1.25 -4.35 118.68 115.45 1wyn s LEU 93 Ca 0.47 -1.29 -0.08 0.00 -1.03 0.00 0.00 54.13 52.20 1wyn s LEU 93 Cb 0.36 -1.14 -0.00 0.00 0.03 0.00 0.00 46.19 45.43 1wyn s LEU 93 CO 0.13 -1.08 0.16 0.72 0.23 0.00 0.00 176.35 176.51 1wyn s PHE 94 N -2.78 0.16 0.20 0.29 -0.12 -1.26 -4.80 117.98 109.66 1wyn s PHE 94 Ca 0.31 -0.50 -0.18 0.00 -0.05 0.00 0.00 56.93 56.50 1wyn s PHE 94 Cb -0.02 -0.09 -0.08 0.00 -0.63 0.00 0.00 43.02 42.21 1wyn s PHE 94 CO 0.19 -0.46 0.67 -1.21 -0.05 0.00 0.00 175.22 174.36 1wyn s GLU 95 N -3.23 4.18 0.41 1.99 2.02 -1.26 -4.96 118.70 117.85 1wyn s GLU 95 Ca 0.00 0.77 0.16 0.00 0.02 0.00 0.00 54.97 55.92 1wyn s GLU 95 Cb 0.02 -2.91 1.04 0.00 0.10 0.00 0.00 34.13 32.38 1wyn s GLU 95 CO -0.07 0.42 1.88 0.00 0.02 0.00 0.00 175.26 177.51 1wyn h ALA 96 N 3.49 2.12 -0.22 5.21 0.00 -1.94 -1.07 119.26 126.85 1wyn h ALA 96 Ca -0.48 0.01 -0.06 0.00 0.00 0.00 0.00 54.91 54.38 1wyn h ALA 96 Cb 1.19 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.93 1wyn h ALA 96 CO 0.65 -0.37 -0.10 -0.91 0.00 0.00 0.00 179.25 178.52 1wyn h ASN 97 N 0.45 0.47 -0.86 0.00 2.35 -1.97 -1.57 115.58 114.45 1wyn h ASN 97 Ca 0.43 -0.41 0.36 0.00 -0.55 0.00 0.00 56.30 56.13 1wyn h ASN 97 Cb 0.98 -0.13 -0.16 0.00 0.05 0.00 0.00 38.32 39.07 1wyn h ASN 97 CO -0.16 0.78 0.45 0.47 -1.65 0.00 0.00 177.43 177.32 1wyn n ASP 98 N -4.53 0.28 -0.09 5.81 8.00 -0.41 -0.67 116.55 124.94 1wyn n ASP 98 Ca -0.04 1.43 -0.15 0.00 0.71 0.00 0.00 54.79 56.74 1wyn n ASP 98 Cb 0.33 -0.69 -0.07 0.00 -0.02 0.00 0.00 41.12 40.67 1wyn n ASP 98 CO 0.00 0.00 0.00 -0.11 -0.39 0.00 0.00 177.20 176.70 1wyn n LEU 99 N -4.96 1.85 -0.11 0.64 7.94 -1.17 -0.13 117.00 121.06 1wyn n LEU 99 Ca 0.32 0.49 -0.05 0.00 -1.11 0.00 0.00 56.01 55.67 1wyn n LEU 99 Cb 1.09 -0.91 -0.04 0.00 0.53 0.00 0.00 43.42 44.10 1wyn n LEU 99 CO 0.01 -0.02 0.50 0.15 -1.11 0.00 0.00 177.39 176.91 1wyn h PHE 100 N -1.00 -0.67 -0.93 1.96 3.57 -0.15 -0.64 116.94 119.08 1wyn h PHE 100 Ca -0.22 0.04 -0.59 0.00 3.53 0.00 0.00 57.97 60.73 1wyn h PHE 100 Cb 1.00 0.33 -0.28 0.00 2.79 0.00 0.00 35.95 39.80 1wyn h PHE 100 CO -0.07 -0.16 0.76 0.39 -2.23 0.00 0.00 178.31 177.00 1wyn n GLU 101 N -3.77 2.46 -1.92 1.11 -0.58 0.15 -4.86 120.64 113.23 1wyn n GLU 101 Ca -0.00 -2.99 0.00 0.00 -0.42 0.00 0.00 57.16 53.75 1wyn n GLU 101 Cb 0.11 -2.17 0.00 0.00 -0.57 0.00 0.00 31.44 28.81 1wyn n GLU 101 CO 0.00 0.00 0.00 -1.13 -0.48 0.00 0.00 177.13 175.52 1wyn n SER 102 N -0.84 -0.65 0.17 1.62 3.41 -0.25 -4.65 113.62 112.43 1wyn n SER 102 Ca 0.58 0.33 0.11 0.00 -0.26 0.00 0.00 58.87 59.62 1wyn n SER 102 Cb 0.92 -0.78 0.56 0.00 -0.26 0.00 0.00 64.21 64.66 1wyn n SER 102 CO 0.00 0.00 0.00 1.23 -0.16 0.00 0.00 175.04 176.11 1wyn h GLY 103 N 0.00 0.00 -5.93 5.00 0.00 -0.67 -3.40 103.07 98.07 1wyn h GLY 103 Ca 0.00 0.00 0.25 0.00 0.00 0.00 0.00 47.33 47.58 1wyn h GLY 103 CO 0.00 0.00 0.27 0.21 0.00 0.00 0.00 176.54 177.02 1wyn s ASN 104 N -3.93 -0.29 0.00 0.19 3.84 0.82 -4.81 114.94 110.76 1wyn s ASN 104 Ca -0.02 0.25 0.21 0.00 0.21 0.00 0.00 52.86 53.50 1wyn s ASN 104 Cb 0.06 1.27 -0.16 0.00 -0.55 0.00 0.00 41.25 41.87 1wyn s ASN 104 CO 0.19 -0.06 0.93 0.23 -2.79 0.00 0.00 177.10 175.60 1wyn n MET 105 N 5.24 0.51 0.06 0.43 2.81 -1.26 -4.09 117.12 120.82 1wyn n MET 105 Ca -0.08 -0.28 -0.22 0.00 -1.81 0.00 0.00 57.70 55.31 1wyn n MET 105 Cb 0.54 -1.47 -0.15 0.00 -0.71 0.00 0.00 33.22 31.44 1wyn n MET 105 CO 0.00 0.00 0.00 1.79 1.51 0.00 0.00 175.97 179.27 1wyn h THR 106 N 0.67 1.04 0.00 2.03 1.35 -1.95 -2.87 112.91 113.18 1wyn h THR 106 Ca 0.00 -2.49 -0.09 0.00 -0.55 0.00 0.00 66.41 63.28 1wyn h THR 106 Cb 0.56 2.81 -0.01 0.00 -1.73 0.00 0.00 68.15 69.77 1wyn h THR 106 CO 0.00 0.79 -0.43 -0.61 -0.25 0.00 0.00 175.52 175.02 1wyn h GLN 107 N -0.07 0.00 0.00 4.72 5.75 -1.81 -2.48 115.11 121.22 1wyn h GLN 107 Ca -0.31 0.00 -0.21 0.00 -0.15 0.00 0.00 58.65 57.98 1wyn h GLN 107 Cb 1.95 0.00 -0.03 0.00 1.07 0.00 0.00 27.48 30.47 1wyn h GLN 107 CO 0.14 0.43 -1.05 0.28 -2.65 0.00 0.00 178.83 175.98 1wyn h VAL 108 N 0.00 1.57 0.44 2.39 2.07 -1.71 -3.16 116.25 117.85 1wyn h VAL 108 Ca -0.00 -3.28 -0.02 0.00 0.82 0.00 0.00 66.70 64.22 1wyn h VAL 108 Cb 0.83 2.77 0.00 0.00 -1.52 0.00 0.00 31.29 33.38 1wyn h VAL 108 CO 0.06 0.89 -0.21 -0.61 0.02 0.00 0.00 177.57 177.72 1wyn h GLN 109 N 0.00 -0.57 -0.98 1.57 4.15 -1.31 -3.21 115.11 114.75 1wyn h GLN 109 Ca -0.04 0.04 0.20 0.00 0.77 0.00 0.00 58.65 59.62 1wyn h GLN 109 Cb 1.77 0.13 -0.09 0.00 0.21 0.00 0.00 27.48 29.50 1wyn h GLN 109 CO 0.12 -0.36 0.62 -0.39 -1.93 0.00 0.00 178.83 176.89 1wyn h VAL 110 N -1.14 0.69 -0.53 2.39 -1.51 -1.61 -0.65 116.25 113.89 1wyn h VAL 110 Ca -0.06 -0.22 0.10 0.00 -1.23 0.00 0.00 66.70 65.28 1wyn h VAL 110 Cb 0.48 -0.02 -0.08 0.00 -2.13 0.00 0.00 31.29 29.54 1wyn h VAL 110 CO 0.10 0.12 0.07 -1.28 -1.23 0.00 0.00 177.57 175.35 1wyn h SER 111 N 0.65 -0.09 -0.36 4.19 0.87 -1.59 0.18 113.55 117.41 1wyn h SER 111 Ca 0.55 0.11 -0.09 0.00 -1.23 0.00 0.00 61.79 61.13 1wyn h SER 111 Cb 1.01 0.17 -0.01 0.00 -0.44 0.00 0.00 62.40 63.13 1wyn h SER 111 CO -0.32 -0.02 -0.15 -0.07 -0.53 0.00 0.00 176.83 175.74 1wyn h LEU 112 N 0.19 0.75 -2.03 2.23 3.38 -1.14 0.34 115.31 119.03 1wyn h LEU 112 Ca 0.27 -0.39 -0.01 0.00 0.09 0.00 0.00 57.88 57.83 1wyn h LEU 112 Cb 0.40 -0.21 -0.00 0.00 0.09 0.00 0.00 40.66 40.94 1wyn h LEU 112 CO -0.39 0.98 -0.07 -0.07 0.09 0.00 0.00 178.44 178.98 1wyn h LEU 113 N 0.52 0.00 0.16 1.67 3.38 -0.69 -1.04 115.31 119.31 1wyn h LEU 113 Ca 0.08 0.00 -0.33 0.00 0.09 0.00 0.00 57.88 57.73 1wyn h LEU 113 Cb 0.68 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.43 1wyn h LEU 113 CO 0.05 0.07 -1.64 0.00 0.09 0.00 0.00 178.44 177.00 1wyn h ALA 114 N 1.93 0.18 -0.41 1.53 0.00 -0.42 -3.26 119.26 118.81 1wyn h ALA 114 Ca -0.00 -1.13 -0.03 0.00 0.00 0.00 0.00 54.91 53.75 1wyn h ALA 114 Cb 0.13 0.48 -0.02 0.00 0.00 0.00 0.00 17.79 18.38 1wyn h ALA 114 CO 0.01 0.96 0.14 1.25 0.00 0.00 0.00 179.25 181.62 1wyn h LEU 115 N -0.05 0.53 0.07 0.00 5.85 -0.59 -2.90 115.31 118.23 1wyn h LEU 115 Ca -0.33 -0.06 -0.00 0.00 0.84 0.00 0.00 57.88 58.32 1wyn h LEU 115 Cb 1.97 -0.14 0.00 0.00 0.37 0.00 0.00 40.66 42.87 1wyn h LEU 115 CO 0.13 0.50 -0.03 0.00 -0.34 0.00 0.00 178.44 178.69 1wyn h ALA 116 N 1.58 -0.09 0.00 1.25 0.00 -1.33 -0.94 119.26 119.73 1wyn h ALA 116 Ca 0.14 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1wyn h ALA 116 Cb 0.15 0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.98 1wyn h ALA 116 CO -0.01 -0.41 0.25 0.78 0.00 0.00 0.00 179.25 179.86 1wyn h GLY 117 N -0.38 0.00 0.12 0.00 0.00 -1.55 0.22 103.07 101.48 1wyn h GLY 117 Ca -0.01 0.00 -0.37 0.00 0.00 0.00 0.00 47.33 46.96 1wyn h GLY 117 CO 0.02 0.00 -2.32 1.17 0.00 0.00 0.00 176.54 175.40 1wyn n LYS 118 N -2.46 0.68 0.08 4.80 3.00 -1.01 -4.38 118.16 118.87 1wyn n LYS 118 Ca -0.02 0.06 -0.10 0.00 -0.00 0.00 0.00 58.31 58.25 1wyn n LYS 118 Cb 0.29 -1.55 -0.03 0.00 0.00 0.00 0.00 35.03 33.73 1wyn n LYS 118 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1wyn h ALA 119 N 0.80 0.45 -1.60 3.14 0.00 0.55 -3.23 119.26 119.36 1wyn h ALA 119 Ca -0.52 -0.75 0.47 0.00 0.00 0.00 0.00 54.91 54.10 1wyn h ALA 119 Cb 2.16 -0.06 -0.07 0.00 0.00 0.00 0.00 17.79 19.82 1wyn h ALA 119 CO 0.02 0.92 1.14 1.57 0.00 0.00 0.00 179.25 182.90 1wyn h LYS 120 N 0.12 0.01 -0.82 0.00 2.10 -0.89 0.15 116.57 117.24 1wyn h LYS 120 Ca -0.06 -0.00 0.20 0.00 -2.00 0.00 0.00 60.65 58.80 1wyn h LYS 120 Cb 1.57 -0.00 -0.13 0.00 -0.90 0.00 0.00 32.23 32.77 1wyn h LYS 120 CO 0.14 0.01 0.16 0.00 -2.00 0.00 0.00 179.45 177.77 1wyn h THR 121 N 0.01 0.36 -0.94 0.07 1.03 -1.82 0.11 112.91 111.73 1wyn h THR 121 Ca 0.77 -0.07 0.28 0.00 -0.01 0.00 0.00 66.41 67.38 1wyn h THR 121 Cb 3.05 0.14 -0.17 0.00 -1.07 0.00 0.00 68.15 70.11 1wyn h THR 121 CO -0.03 0.04 0.19 0.11 -0.01 0.00 0.00 175.52 175.81 1wyn h LYS 122 N 0.19 0.09 -2.10 0.00 1.79 -0.95 -2.81 116.57 112.78 1wyn h LYS 122 Ca 0.49 -0.01 -0.58 0.00 -2.18 0.00 0.00 60.65 58.38 1wyn h LYS 122 Cb 0.94 -0.02 -0.41 0.00 -1.58 0.00 0.00 32.23 31.16 1wyn h LYS 122 CO -0.63 0.06 -0.85 0.41 -1.08 0.00 0.00 179.45 177.35 1wyn n GLY 123 N -1.41 3.91 3.66 3.86 0.00 0.36 -5.09 105.19 110.47 1wyn n GLY 123 Ca 0.24 -2.19 -0.47 0.00 0.00 0.00 0.00 46.02 43.61 1wyn n GLY 123 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1wyn n LEU 124 N 1.05 2.89 -4.78 0.99 4.77 -1.06 -4.95 117.00 115.91 1wyn n LEU 124 Ca 0.26 1.09 -0.30 0.00 -0.03 0.00 0.00 56.01 57.02 1wyn n LEU 124 Cb 0.47 -1.39 0.09 0.00 -2.33 0.00 0.00 43.42 40.26 1wyn n LEU 124 CO 0.29 -0.39 0.70 -1.10 -1.33 0.00 0.00 177.39 175.56 1wyn s GLN 125 N 0.91 2.11 0.13 3.23 -0.21 -1.26 -5.00 119.66 119.56 1wyn s GLN 125 Ca 0.80 0.84 -0.30 0.00 0.02 0.00 0.00 55.36 56.72 1wyn s GLN 125 Cb -0.72 -1.90 -0.06 0.00 1.00 0.00 0.00 33.01 31.32 1wyn s GLN 125 CO 0.39 -1.65 1.03 -1.54 -2.12 0.00 0.00 175.29 171.40 1wyn s SER 126 N -3.68 7.38 0.00 5.90 1.04 -1.26 -5.00 113.70 118.08 1wyn s SER 126 Ca 0.61 1.92 0.00 0.00 0.48 0.00 0.00 55.95 58.96 1wyn s SER 126 Cb -0.16 -2.59 0.00 0.00 0.10 0.00 0.00 66.02 63.37 1wyn s SER 126 CO 0.55 -0.16 0.00 0.61 0.98 0.00 0.00 173.24 175.23 1wyn n GLY 127 N 2.24 1.45 3.19 7.32 0.00 -1.26 -5.18 105.19 112.94 1wyn n GLY 127 Ca 0.03 -0.89 -0.14 0.00 0.00 0.00 0.00 46.02 45.01 1wyn n GLY 127 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1wyn s VAL 128 N -2.60 0.97 0.33 1.61 0.11 -1.26 -5.16 120.40 114.41 1wyn s VAL 128 Ca 0.00 -1.68 -0.08 0.00 -2.93 0.00 0.00 61.98 57.29 1wyn s VAL 128 Cb 0.00 -1.41 0.01 0.00 -1.53 0.00 0.00 36.38 33.45 1wyn s VAL 128 CO 0.00 -0.57 0.55 -0.62 -3.33 0.00 0.00 175.10 171.13 1wyn s ASP 129 N -2.51 0.51 -0.59 3.54 -1.08 -1.26 -5.10 116.67 110.18 1wyn s ASP 129 Ca 0.07 -1.30 0.06 0.00 -0.52 0.00 0.00 52.55 50.86 1wyn s ASP 129 Cb -0.02 0.69 0.24 0.00 -1.46 0.00 0.00 42.92 42.37 1wyn s ASP 129 CO 0.00 -1.36 0.66 -0.38 0.52 0.00 0.00 175.17 174.61 1wyn n ILE 130 N -0.52 1.55 0.00 4.11 5.41 -1.26 -4.94 119.36 123.70 1wyn n ILE 130 Ca -0.02 -4.88 0.00 0.00 1.00 0.00 0.00 62.75 58.85 1wyn n ILE 130 Cb 0.61 -2.07 0.00 0.00 -0.71 0.00 0.00 39.64 37.48 1wyn n ILE 130 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1wyn n GLY 131 N 1.13 2.08 3.07 7.39 0.00 -1.26 -5.02 105.19 112.57 1wyn n GLY 131 Ca 0.27 -0.70 -0.43 0.00 0.00 0.00 0.00 46.02 45.16 1wyn n GLY 131 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1wyn n VAL 132 N 0.07 4.77 -3.16 1.61 0.24 -1.26 -4.94 118.33 115.66 1wyn n VAL 132 Ca 0.00 -5.20 -0.46 0.00 -2.04 0.00 0.00 64.34 56.64 1wyn n VAL 132 Cb 0.00 -2.29 -0.02 0.00 -1.47 0.00 0.00 33.84 30.06 1wyn n VAL 132 CO 0.00 0.00 0.00 -0.75 -2.14 0.00 0.00 176.83 173.94 1wyn s LYS 133 N -0.99 3.70 0.10 7.34 2.36 -1.26 -4.66 119.74 126.33 1wyn s LYS 133 Ca 0.35 -2.31 0.00 0.00 -2.55 0.00 0.00 55.97 51.46 1wyn s LYS 133 Cb 0.03 -4.66 0.00 0.00 -1.05 0.00 0.00 37.83 32.16 1wyn s LYS 133 CO 0.03 -1.48 0.00 0.66 1.55 0.00 0.00 175.35 176.11 1wyn n TYR 134 N 4.84 -0.64 -1.51 4.03 4.01 -1.26 -5.07 117.16 121.55 1wyn n TYR 134 Ca 0.20 0.11 -0.52 0.00 -0.16 0.00 0.00 57.90 57.53 1wyn n TYR 134 Cb 0.47 0.26 -0.05 0.00 -0.31 0.00 0.00 39.34 39.71 1wyn n TYR 134 CO 0.00 0.00 0.00 -1.13 -0.46 0.00 0.00 176.86 175.27 1wyn n SER 135 N -3.13 0.32 -4.87 7.72 3.41 -1.26 -4.93 113.62 110.87 1wyn n SER 135 Ca 0.00 1.14 -0.33 0.00 -0.26 0.00 0.00 58.87 59.42 1wyn n SER 135 Cb 0.13 -1.05 -0.05 0.00 -0.26 0.00 0.00 64.21 62.97 1wyn n SER 135 CO 0.00 0.00 0.00 -1.83 -0.16 0.00 0.00 175.04 173.05 1wyn s GLU 136 N -0.35 3.78 0.11 4.33 -1.05 -1.26 -5.01 118.70 119.26 1wyn s GLU 136 Ca 0.78 0.21 -0.23 0.00 -0.15 0.00 0.00 54.97 55.58 1wyn s GLU 136 Cb -1.02 -2.82 -0.07 0.00 -0.44 0.00 0.00 34.13 29.78 1wyn s GLU 136 CO 0.54 0.43 1.69 -0.22 0.95 0.00 0.00 175.26 178.66 1wyn h LYS 137 N 3.05 -0.15 -1.65 -4.83 1.63 -2.06 -3.45 116.57 109.12 1wyn h LYS 137 Ca -0.47 0.01 0.05 0.00 -0.85 0.00 0.00 60.65 59.39 1wyn h LYS 137 Cb 1.18 0.03 -0.24 0.00 -0.60 0.00 0.00 32.23 32.60 1wyn h LYS 137 CO 0.69 -0.10 0.44 -1.14 -3.45 0.00 0.00 179.45 175.89 1wyn s GLN 138 N -6.16 0.60 -0.25 1.90 0.74 -1.26 -5.18 119.66 110.05 1wyn s GLN 138 Ca -0.14 0.47 -0.29 0.00 0.05 0.00 0.00 55.36 55.45 1wyn s GLN 138 Cb 0.09 0.29 0.17 0.00 1.10 0.00 0.00 33.01 34.65 1wyn s GLN 138 CO 0.67 -0.12 1.24 -2.00 -0.55 0.00 0.00 175.29 174.53 1wyn s GLU 139 N -0.26 0.25 -0.82 1.67 2.12 -1.26 -5.09 118.70 115.31 1wyn s GLU 139 Ca 0.00 0.10 -0.25 0.00 0.36 0.00 0.00 54.97 55.18 1wyn s GLU 139 Cb -0.03 0.12 -0.01 0.00 0.26 0.00 0.00 34.13 34.47 1wyn s GLU 139 CO -0.02 -0.07 1.72 0.50 -0.54 0.00 0.00 175.26 176.85 1wyn s ARG 140 N -0.84 2.88 -0.06 4.30 6.06 -1.26 -4.82 118.95 125.21 1wyn s ARG 140 Ca 0.05 -0.20 -0.22 0.00 -2.50 0.00 0.00 55.73 52.85 1wyn s ARG 140 Cb -0.02 -4.80 -0.18 0.00 0.06 0.00 0.00 34.95 30.02 1wyn s ARG 140 CO -0.06 -2.77 0.89 1.03 -2.50 0.00 0.00 175.30 171.89 1wyn h SER 141 N 11.81 -0.11 0.00 -2.12 0.87 -2.00 -3.48 113.55 118.52 1wyn h SER 141 Ca -0.04 -0.48 0.00 0.00 -1.23 0.00 0.00 61.79 60.05 1wyn h SER 141 Cb 1.06 0.03 0.00 0.00 -0.44 0.00 0.00 62.40 63.04 1wyn h SER 141 CO 1.27 0.51 0.00 0.61 -0.53 0.00 0.00 176.83 178.69 1wyn n GLY 142 N 0.76 0.29 3.66 5.77 0.00 -1.26 -5.17 105.19 109.24 1wyn n GLY 142 Ca -0.08 0.29 -0.29 0.00 0.00 0.00 0.00 46.02 45.95 1wyn n GLY 142 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1wyn s PRO 143 N 0.00 0.11 0.69 1.61 0.04 -1.26 -4.95 135.00 131.24 1wyn s PRO 143 Ca 0.00 0.41 -0.18 0.00 0.04 0.00 0.00 61.00 61.27 1wyn s PRO 143 Cb 0.00 -1.71 -0.15 0.00 0.04 0.00 0.00 34.50 32.68 1wyn s PRO 143 CO 0.00 -2.92 -0.38 0.45 0.04 0.00 0.00 177.00 174.19 1wyn n SER 144 N -4.29 -4.56 -3.34 6.66 2.88 -1.26 -4.99 113.62 104.71 1wyn n SER 144 Ca 0.06 0.48 -0.03 0.00 -1.33 0.00 0.00 58.87 58.05 1wyn n SER 144 Cb 0.58 -0.81 -0.05 0.00 -0.75 0.00 0.00 64.21 63.18 1wyn n SER 144 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 1wyn s SER 145 N -1.00 -0.66 0.00 -3.46 1.04 -1.26 -5.28 113.70 103.09 1wyn s SER 145 Ca 0.50 0.75 0.00 0.00 0.48 0.00 0.00 55.95 57.69 1wyn s SER 145 Cb -0.38 1.72 0.00 0.00 0.10 0.00 0.00 66.02 67.46 1wyn s SER 145 CO 0.72 -0.27 0.00 0.61 0.98 0.00 0.00 173.24 175.29