#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wyn s SER 2 N 0.00 4.98 0.24 1.61 1.04 -1.26 -5.07 113.70 115.24 1wyn s SER 2 Ca 0.00 1.49 -0.21 0.00 0.48 0.00 0.00 55.95 57.71 1wyn s SER 2 Cb 0.00 -2.31 0.06 0.00 0.10 0.00 0.00 66.02 63.87 1wyn s SER 2 CO 0.00 -1.68 0.91 -0.44 0.98 0.00 0.00 173.24 173.00 1wyn s SER 3 N -3.83 -0.08 0.03 7.02 0.01 -1.26 -5.19 113.70 110.41 1wyn s SER 3 Ca 0.59 -0.71 0.00 0.00 1.31 0.00 0.00 55.95 57.14 1wyn s SER 3 Cb -0.14 0.62 0.00 0.00 0.21 0.00 0.00 66.02 66.71 1wyn s SER 3 CO 0.55 -1.20 0.00 0.61 0.41 0.00 0.00 173.24 173.61 1wyn n GLY 4 N -0.56 0.81 3.16 3.44 0.00 -1.26 -5.13 105.19 105.65 1wyn n GLY 4 Ca -0.05 -1.88 -0.12 0.00 0.00 0.00 0.00 46.02 43.97 1wyn n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1wyn s SER 5 N -1.00 -0.35 0.44 1.61 0.15 -1.26 -5.16 113.70 108.12 1wyn s SER 5 Ca 0.00 0.66 0.04 0.00 0.70 0.00 0.00 55.95 57.35 1wyn s SER 5 Cb 0.00 0.58 -0.05 0.00 -1.71 0.00 0.00 66.02 64.84 1wyn s SER 5 CO 0.00 -0.15 0.02 -0.44 1.20 0.00 0.00 173.24 173.86 1wyn s SER 6 N 0.94 3.78 0.00 5.45 0.01 -1.26 -5.06 113.70 117.56 1wyn s SER 6 Ca -0.06 -1.49 0.00 0.00 1.31 0.00 0.00 55.95 55.71 1wyn s SER 6 Cb -0.07 0.01 0.00 0.00 0.21 0.00 0.00 66.02 66.17 1wyn s SER 6 CO -0.07 -0.64 0.00 0.61 0.41 0.00 0.00 173.24 173.56 1wyn n GLY 7 N -1.05 0.71 3.87 3.44 0.00 -1.26 -4.86 105.19 106.05 1wyn n GLY 7 Ca -0.10 -0.09 -0.28 0.00 0.00 0.00 0.00 46.02 45.55 1wyn n GLY 7 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1wyn s ASN 8 N -1.00 4.51 0.76 1.61 4.22 -1.26 -5.04 114.94 118.73 1wyn s ASN 8 Ca 0.00 -1.36 -0.14 0.00 -2.14 0.00 0.00 52.86 49.22 1wyn s ASN 8 Cb 0.00 0.47 0.06 0.00 1.28 0.00 0.00 41.25 43.06 1wyn s ASN 8 CO 0.00 -1.06 1.21 -0.60 -2.04 0.00 0.00 177.10 174.61 1wyn s ARG 9 N -4.19 1.94 -0.90 3.55 3.52 -1.26 -4.88 118.95 116.72 1wyn s ARG 9 Ca 0.27 1.77 -0.24 0.00 -0.13 0.00 0.00 55.73 57.39 1wyn s ARG 9 Cb -0.01 -1.81 0.02 0.00 -1.56 0.00 0.00 34.95 31.59 1wyn s ARG 9 CO 0.16 -1.99 1.54 -0.51 -0.81 0.00 0.00 175.30 173.70 1wyn s LEU 10 N -5.36 3.34 -0.16 -0.88 1.43 -1.26 -4.92 118.68 110.88 1wyn s LEU 10 Ca 0.74 -0.93 -0.11 0.00 -1.03 0.00 0.00 54.13 52.80 1wyn s LEU 10 Cb -0.29 -2.56 0.05 0.00 0.03 0.00 0.00 46.19 43.41 1wyn s LEU 10 CO 0.47 -1.89 0.39 -0.76 0.23 0.00 0.00 176.35 174.80 1wyn s LEU 11 N 6.47 0.18 -0.23 1.79 1.43 -1.26 -5.14 118.68 121.92 1wyn s LEU 11 Ca 0.50 0.83 -0.06 0.00 -1.03 0.00 0.00 54.13 54.37 1wyn s LEU 11 Cb -0.04 1.32 -0.03 0.00 0.03 0.00 0.00 46.19 47.47 1wyn s LEU 11 CO -0.00 -0.17 0.04 -0.55 0.23 0.00 0.00 176.35 175.90 1wyn s SER 12 N 0.88 5.01 0.29 2.29 0.15 -1.26 -5.05 113.70 116.01 1wyn s SER 12 Ca -0.05 -0.20 0.04 0.00 0.70 0.00 0.00 55.95 56.43 1wyn s SER 12 Cb -0.06 -1.89 -0.03 0.00 -1.71 0.00 0.00 66.02 62.33 1wyn s SER 12 CO -0.07 0.00 0.21 -1.59 1.20 0.00 0.00 173.24 172.99 1wyn s LYS 13 N 1.38 1.58 -0.23 5.44 -2.85 -1.26 -5.10 119.74 118.69 1wyn s LYS 13 Ca 0.05 -1.90 -0.03 0.00 -1.00 0.00 0.00 55.97 53.09 1wyn s LYS 13 Cb -0.15 0.18 0.07 0.00 -2.06 0.00 0.00 37.83 35.87 1wyn s LYS 13 CO 0.02 -0.53 0.07 -0.47 0.10 0.00 0.00 175.35 174.55 1wyn s TYR 14 N -3.67 0.87 -0.08 1.78 6.14 -1.26 -4.39 117.35 116.74 1wyn s TYR 14 Ca 0.38 -0.91 0.00 0.00 0.64 0.00 0.00 57.07 57.19 1wyn s TYR 14 Cb 0.04 -1.06 -0.03 0.00 0.42 0.00 0.00 41.96 41.34 1wyn s TYR 14 CO 0.21 -0.67 -0.06 0.34 0.64 0.00 0.00 175.55 176.00 1wyn s ASP 15 N 1.91 4.70 0.45 4.32 2.15 -1.26 -5.00 116.67 123.93 1wyn s ASP 15 Ca 0.03 -0.02 0.30 0.00 0.43 0.00 0.00 52.55 53.29 1wyn s ASP 15 Cb -0.17 -1.25 1.25 0.00 -0.30 0.00 0.00 42.92 42.45 1wyn s ASP 15 CO -0.16 0.35 1.89 1.55 -0.17 0.00 0.00 175.17 178.63 1wyn h PRO 16 N 5.38 0.00 0.03 4.34 0.13 -2.02 -2.98 132.00 136.88 1wyn h PRO 16 Ca -0.47 0.00 -0.38 0.00 -0.87 0.00 0.00 66.00 64.28 1wyn h PRO 16 Cb 1.18 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 32.25 1wyn h PRO 16 CO 0.53 0.00 -2.16 1.04 -0.23 0.00 0.00 178.00 177.18 1wyn n GLN 17 N -2.77 0.64 -0.27 0.86 6.02 -1.26 -4.40 117.38 116.20 1wyn n GLN 17 Ca 0.01 0.29 0.05 0.00 -0.01 0.00 0.00 57.00 57.34 1wyn n GLN 17 Cb 0.27 -1.60 0.19 0.00 1.02 0.00 0.00 30.24 30.13 1wyn n GLN 17 CO 0.00 0.00 0.00 0.87 -1.01 0.00 0.00 177.06 176.92 1wyn h LYS 18 N -0.47 0.55 -0.88 -1.09 1.79 -1.98 -1.16 116.57 113.33 1wyn h LYS 18 Ca -0.54 -0.03 0.24 0.00 -2.18 0.00 0.00 60.65 58.13 1wyn h LYS 18 Cb 1.73 -0.12 -0.15 0.00 -1.58 0.00 0.00 32.23 32.11 1wyn h LYS 18 CO -0.17 0.36 0.19 1.49 -1.08 0.00 0.00 179.45 180.24 1wyn h GLU 19 N 0.56 0.16 -0.41 3.15 4.22 -1.73 0.70 114.58 121.23 1wyn h GLU 19 Ca 0.42 -0.01 -0.07 0.00 0.08 0.00 0.00 59.36 59.79 1wyn h GLU 19 Cb 0.58 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.78 1wyn h GLU 19 CO -0.36 0.10 -0.03 0.00 -2.18 0.00 0.00 179.01 176.55 1wyn h ALA 20 N 1.81 1.18 -0.70 2.92 0.00 -1.43 -2.66 119.26 120.37 1wyn h ALA 20 Ca 0.55 -0.25 -0.01 0.00 0.00 0.00 0.00 54.91 55.20 1wyn h ALA 20 Cb 1.12 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 18.70 1wyn h ALA 20 CO -0.70 0.53 0.41 0.93 0.00 0.00 0.00 179.25 180.42 1wyn h GLU 21 N 0.63 0.96 0.27 0.00 5.08 0.49 -1.06 114.58 120.95 1wyn h GLU 21 Ca 0.12 -0.09 -0.01 0.00 -1.00 0.00 0.00 59.36 58.38 1wyn h GLU 21 Cb 0.44 -0.20 0.00 0.00 0.50 0.00 0.00 28.75 29.49 1wyn h GLU 21 CO 0.02 0.69 -0.13 -0.07 -1.00 0.00 0.00 179.01 178.52 1wyn h LEU 22 N 0.97 -0.30 -1.23 1.33 3.38 -1.02 -0.38 115.31 118.06 1wyn h LEU 22 Ca 0.25 0.01 0.27 0.00 0.09 0.00 0.00 57.88 58.50 1wyn h LEU 22 Cb -0.01 0.08 -0.11 0.00 0.09 0.00 0.00 40.66 40.71 1wyn h LEU 22 CO -0.04 -0.16 0.65 0.08 0.09 0.00 0.00 178.44 179.05 1wyn h ARG 23 N -0.47 0.43 0.00 1.13 0.11 -1.52 0.83 114.38 114.88 1wyn h ARG 23 Ca -0.04 -0.03 -0.11 0.00 0.10 0.00 0.00 59.98 59.90 1wyn h ARG 23 Cb 0.27 -0.10 -0.02 0.00 1.11 0.00 0.00 29.97 31.24 1wyn h ARG 23 CO 0.06 0.29 -0.54 1.15 0.10 0.00 0.00 179.97 181.02 1wyn h THR 24 N 0.45 1.33 0.00 0.08 2.02 -1.17 0.24 112.91 115.85 1wyn h THR 24 Ca 0.63 -1.90 -0.13 0.00 0.77 0.00 0.00 66.41 65.77 1wyn h THR 24 Cb 1.46 2.04 -0.02 0.00 -1.74 0.00 0.00 68.15 69.89 1wyn h THR 24 CO -0.37 0.53 -1.04 -0.25 0.37 0.00 0.00 175.52 174.76 1wyn h TRP 25 N 0.00 0.00 0.11 3.16 7.01 0.21 -3.27 115.95 123.17 1wyn h TRP 25 Ca -0.01 0.00 -0.30 0.00 2.11 0.00 0.00 58.89 60.69 1wyn h TRP 25 Cb 1.00 0.00 -0.01 0.00 -2.10 0.00 0.00 29.16 28.05 1wyn h TRP 25 CO 0.00 0.50 -1.58 0.82 -2.79 0.00 0.00 178.44 175.39 1wyn h ILE 26 N 0.00 0.89 -0.79 2.65 2.04 0.21 -3.20 117.51 119.32 1wyn h ILE 26 Ca -0.09 -2.36 0.07 0.00 1.00 0.00 0.00 64.86 63.48 1wyn h ILE 26 Cb 1.46 2.59 -0.05 0.00 -0.74 0.00 0.00 36.82 40.08 1wyn h ILE 26 CO 0.05 0.72 0.51 -0.33 0.00 0.00 0.00 178.15 179.10 1wyn h GLU 27 N -0.26 0.78 -0.00 2.37 5.08 -0.68 -1.37 114.58 120.49 1wyn h GLU 27 Ca -0.35 -0.05 -0.18 0.00 -1.00 0.00 0.00 59.36 57.79 1wyn h GLU 27 Cb 1.80 -0.18 -0.02 0.00 0.50 0.00 0.00 28.75 30.86 1wyn h GLU 27 CO 0.04 0.52 -0.81 0.78 -1.00 0.00 0.00 179.01 178.54 1wyn h GLY 28 N 0.81 0.13 0.42 -3.84 0.00 -1.71 0.38 103.07 99.26 1wyn h GLY 28 Ca 0.35 -0.23 -0.02 0.00 0.00 0.00 0.00 47.33 47.43 1wyn h GLY 28 CO -0.13 0.20 -0.20 1.41 0.00 0.00 0.00 176.54 177.82 1wyn h LEU 29 N 0.07 -0.47 -0.26 3.11 3.38 -1.27 -3.32 115.31 116.55 1wyn h LEU 29 Ca -0.03 0.02 -0.19 0.00 0.09 0.00 0.00 57.88 57.77 1wyn h LEU 29 Cb 1.41 0.12 -0.02 0.00 0.09 0.00 0.00 40.66 42.26 1wyn h LEU 29 CO 0.12 -0.23 -0.88 0.71 0.09 0.00 0.00 178.44 178.24 1wyn h THR 30 N -0.77 1.61 0.00 0.22 1.35 -1.51 -3.48 112.91 110.33 1wyn h THR 30 Ca -0.06 -2.94 0.00 0.00 -0.55 0.00 0.00 66.41 62.87 1wyn h THR 30 Cb 0.43 2.60 0.00 0.00 -1.73 0.00 0.00 68.15 69.45 1wyn h THR 30 CO 0.09 0.84 0.00 0.61 -0.25 0.00 0.00 175.52 176.81 1wyn n GLY 31 N 0.97 0.51 2.60 5.82 0.00 0.13 -5.06 105.19 110.17 1wyn n GLY 31 Ca -0.01 -0.70 -0.13 0.00 0.00 0.00 0.00 46.02 45.18 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 -4.14 0.99 4.77 -1.18 -4.99 117.00 112.45 1wyn n LEU 32 Ca 0.00 -1.66 -0.29 0.00 -0.03 0.00 0.00 56.01 54.03 1wyn n LEU 32 Cb 0.00 -0.29 -0.17 0.00 -2.33 0.00 0.00 43.42 40.64 1wyn n LEU 32 CO 0.00 -0.64 -0.52 -0.55 -1.33 0.00 0.00 177.39 174.34 1wyn s SER 33 N -3.40 2.52 0.04 -1.43 0.15 -1.26 -4.67 113.70 105.66 1wyn s SER 33 Ca 0.41 -0.44 -0.16 0.00 0.70 0.00 0.00 55.95 56.45 1wyn s SER 33 Cb -0.03 -1.09 -0.28 0.00 -1.71 0.00 0.00 66.02 62.91 1wyn s SER 33 CO 0.26 0.12 1.09 0.40 1.20 0.00 0.00 173.24 176.31 1wyn h ILE 34 N 5.72 1.32 0.00 6.45 2.04 -1.92 -3.49 117.51 127.63 1wyn h ILE 34 Ca -0.25 -2.38 0.00 0.00 1.00 0.00 0.00 64.86 63.22 1wyn h ILE 34 Cb 1.21 2.69 0.00 0.00 -0.74 0.00 0.00 36.82 39.98 1wyn h ILE 34 CO 0.47 0.72 0.00 0.61 0.00 0.00 0.00 178.15 179.95 1wyn n GLY 35 N 1.33 -0.39 0.00 5.37 0.00 -1.26 -3.71 105.19 106.52 1wyn n GLY 35 Ca -0.13 -2.26 0.08 0.00 0.00 0.00 0.00 46.02 43.70 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 -0.44 0.45 -3.83 1.61 -0.04 -1.26 -4.63 135.00 126.87 1wyn n PRO 36 Ca 0.00 0.02 -0.13 0.00 -0.04 0.00 0.00 63.50 63.35 1wyn n PRO 36 Cb 0.00 -1.50 -0.14 0.00 -0.04 0.00 0.00 33.50 31.82 1wyn n PRO 36 CO 0.00 0.00 0.00 0.34 -0.04 0.00 0.00 175.50 175.80 1wyn s ASP 37 N -2.08 -0.04 -0.06 3.54 -1.08 -1.26 -5.08 116.67 110.61 1wyn s ASP 37 Ca 0.22 0.12 -0.02 0.00 -0.52 0.00 0.00 52.55 52.35 1wyn s ASP 37 Cb 0.11 0.09 -0.01 0.00 -1.46 0.00 0.00 42.92 41.65 1wyn s ASP 37 CO 0.19 -0.05 0.11 0.15 0.52 0.00 0.00 175.17 176.09 1wyn h PHE 38 N 6.40 -0.07 -0.90 -5.34 3.57 -1.90 -1.34 116.94 117.36 1wyn h PHE 38 Ca -0.30 -0.00 0.23 0.00 3.53 0.00 0.00 57.97 61.43 1wyn h PHE 38 Cb 1.18 0.02 -0.16 0.00 2.79 0.00 0.00 35.95 39.79 1wyn h PHE 38 CO 0.43 -0.04 0.02 0.37 -2.23 0.00 0.00 178.31 176.86 1wyn h GLN 39 N -0.68 0.06 0.12 1.11 -0.00 -1.98 -0.70 115.11 113.04 1wyn h GLN 39 Ca -0.01 -0.00 -0.01 0.00 -0.00 0.00 0.00 58.65 58.63 1wyn h GLN 39 Cb 0.06 -0.01 0.00 0.00 0.00 0.00 0.00 27.48 27.52 1wyn h GLN 39 CO 0.01 0.04 -0.06 0.87 0.00 0.00 0.00 178.83 179.69 1wyn h LYS 40 N 0.06 -0.16 -1.10 1.69 1.57 -1.92 0.53 116.57 117.25 1wyn h LYS 40 Ca 0.52 0.01 0.36 0.00 -1.87 0.00 0.00 60.65 59.67 1wyn h LYS 40 Cb 1.01 0.04 -0.09 0.00 0.08 0.00 0.00 32.23 33.27 1wyn h LYS 40 CO -0.82 -0.11 0.74 0.41 -0.57 0.00 0.00 179.45 179.10 1wyn n GLY 41 N 0.71 -0.63 0.12 3.86 0.00 -0.50 0.17 105.19 108.92 1wyn n GLY 41 Ca -0.02 0.53 -0.17 0.00 0.00 0.00 0.00 46.02 46.36 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 -3.89 2.16 -0.07 0.99 4.77 -0.30 -4.56 117.00 116.10 1wyn n LEU 42 Ca 0.29 0.05 -0.02 0.00 -0.03 0.00 0.00 56.01 56.31 1wyn n LEU 42 Cb 1.21 -0.63 -0.02 0.00 -2.33 0.00 0.00 43.42 41.65 1wyn n LEU 42 CO 0.18 0.78 0.39 1.17 -1.33 0.00 0.00 177.39 178.59 1wyn n LYS 43 N -3.22 -0.07 -0.25 3.23 4.81 0.44 0.13 118.16 123.23 1wyn n LYS 43 Ca -0.36 0.88 0.23 0.00 -0.87 0.00 0.00 58.31 58.19 1wyn n LYS 43 Cb 1.04 -1.31 0.43 0.00 0.02 0.00 0.00 35.03 35.22 1wyn n LYS 43 CO 0.00 0.00 0.00 -3.47 1.17 0.00 0.00 177.40 175.10 1wyn n ASP 44 N -3.25 0.23 -0.24 3.14 -0.08 -1.15 -4.76 116.55 110.43 1wyn n ASP 44 Ca 0.00 1.30 0.00 0.00 -1.51 0.00 0.00 54.79 54.58 1wyn n ASP 44 Cb 0.04 -0.61 0.00 0.00 2.34 0.00 0.00 41.12 42.89 1wyn n ASP 44 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1wyn n GLY 45 N -1.22 0.98 0.09 0.27 0.00 0.35 -4.32 105.19 101.33 1wyn n GLY 45 Ca 0.28 -0.44 -0.11 0.00 0.00 0.00 0.00 46.02 45.75 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 -1.76 1.46 0.07 2.61 -2.24 -1.26 -4.34 114.28 108.82 1wyn n THR 46 Ca 0.00 0.11 -0.08 0.00 -2.27 0.00 0.00 64.05 61.81 1wyn n THR 46 Cb 0.30 -2.26 -0.05 0.00 -2.10 0.00 0.00 70.33 66.21 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 -1.00 0.47 -0.97 2.28 2.04 -1.88 -3.22 117.51 115.23 1wyn h ILE 47 Ca -0.14 -1.00 0.33 0.00 1.00 0.00 0.00 64.86 65.05 1wyn h ILE 47 Cb 0.84 0.82 -0.09 0.00 -0.74 0.00 0.00 36.82 37.65 1wyn h ILE 47 CO -0.08 0.13 0.63 0.18 0.00 0.00 0.00 178.15 179.01 1wyn n LEU 48 N -4.95 0.13 0.15 1.44 4.77 -1.26 0.81 117.00 118.09 1wyn n LEU 48 Ca -0.06 0.91 -0.08 0.00 -0.03 0.00 0.00 56.01 56.75 1wyn n LEU 48 Cb 0.21 -0.45 -0.04 0.00 -2.33 0.00 0.00 43.42 40.81 1wyn n LEU 48 CO 0.18 -0.99 0.22 0.00 -1.33 0.00 0.00 177.39 175.48 1wyn h THR 50 N -1.10 0.67 -0.89 0.00 1.35 0.40 -1.76 112.91 111.57 1wyn h THR 50 Ca -0.05 -0.15 0.17 0.00 -0.55 0.00 0.00 66.41 65.83 1wyn h THR 50 Cb 0.40 0.19 -0.16 0.00 -1.73 0.00 0.00 68.15 66.85 1wyn h THR 50 CO 0.08 0.08 -0.27 0.25 -0.25 0.00 0.00 175.52 175.41 1wyn h LEU 51 N 0.44 -0.98 0.59 3.87 5.85 -1.05 -0.31 115.31 123.71 1wyn h LEU 51 Ca 0.40 0.28 -0.03 0.00 0.84 0.00 0.00 57.88 59.37 1wyn h LEU 51 Cb 0.59 0.60 0.01 0.00 0.37 0.00 0.00 40.66 42.23 1wyn h LEU 51 CO -0.39 -0.30 -0.29 -0.03 -0.34 0.00 0.00 178.44 177.10 1wyn h MET 52 N -0.01 -0.77 -1.04 1.25 4.05 -1.40 -2.74 114.93 114.27 1wyn h MET 52 Ca 0.40 0.05 0.42 0.00 -0.28 0.00 0.00 59.70 60.29 1wyn h MET 52 Cb 0.64 0.17 -0.17 0.00 -0.80 0.00 0.00 31.60 31.44 1wyn h MET 52 CO -0.92 -0.49 0.58 0.09 0.23 0.00 0.00 176.91 176.40 1wyn n ASN 53 N -5.41 0.33 -0.14 1.39 3.02 -0.21 0.14 115.26 114.38 1wyn n ASN 53 Ca -0.13 1.60 -0.09 0.00 -0.03 0.00 0.00 54.58 55.94 1wyn n ASN 53 Cb 0.34 -0.78 -0.00 0.00 -0.61 0.00 0.00 39.78 38.72 1wyn n ASN 53 CO 0.00 0.00 0.00 0.11 -2.62 0.00 0.00 177.26 174.75 1wyn h LYS 54 N 0.00 0.59 0.03 3.52 1.79 -1.03 -3.22 116.57 118.26 1wyn h LYS 54 Ca 0.84 -0.09 -0.00 0.00 -2.18 0.00 0.00 60.65 59.22 1wyn h LYS 54 Cb 2.30 -0.11 0.00 0.00 -1.58 0.00 0.00 32.23 32.84 1wyn h LYS 54 CO -0.72 0.52 -0.02 -0.07 -1.08 0.00 0.00 179.45 178.08 1wyn h LEU 55 N 0.53 -0.04 -8.45 2.94 3.38 0.13 -3.44 115.31 110.36 1wyn h LEU 55 Ca 0.14 -0.61 -0.66 0.00 0.09 0.00 0.00 57.88 56.84 1wyn h LEU 55 Cb 0.12 0.01 -0.28 0.00 0.09 0.00 0.00 40.66 40.59 1wyn h LEU 55 CO -0.02 0.62 -0.76 -1.58 0.09 0.00 0.00 178.44 176.79 1wyn s GLN 56 N -3.44 3.33 0.00 1.13 0.74 0.93 -4.98 119.66 117.37 1wyn s GLN 56 Ca -0.16 -0.68 0.09 0.00 0.05 0.00 0.00 55.36 54.67 1wyn s GLN 56 Cb -0.00 -2.79 0.56 0.00 1.10 0.00 0.00 33.01 31.88 1wyn s GLN 56 CO 0.63 -0.01 1.00 -0.35 -0.55 0.00 0.00 175.29 176.01 1wyn n PRO 57 N 4.20 0.48 -2.89 1.67 -0.04 -1.24 -3.47 135.00 133.71 1wyn n PRO 57 Ca -0.19 0.00 -0.12 0.00 -0.04 0.00 0.00 63.50 63.15 1wyn n PRO 57 Cb 0.52 -1.30 0.05 0.00 -0.04 0.00 0.00 33.50 32.72 1wyn n PRO 57 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1wyn n GLY 58 N -0.02 1.79 0.52 0.55 0.00 -1.26 -4.99 105.19 101.77 1wyn n GLY 58 Ca 0.07 -0.68 -0.02 0.00 0.00 0.00 0.00 46.02 45.39 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 0.24 0.69 -4.65 1.61 3.41 -1.23 -5.00 113.62 108.70 1wyn n SER 59 Ca 0.12 0.11 -0.37 0.00 -0.26 0.00 0.00 58.87 58.47 1wyn n SER 59 Cb 0.70 -0.38 -0.10 0.00 -0.26 0.00 0.00 64.21 64.17 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 -1.65 5.30 -0.02 -3.33 1.01 -1.26 -4.76 120.40 115.68 1wyn s VAL 60 Ca -0.07 0.16 -0.25 0.00 0.00 0.00 0.00 61.98 61.82 1wyn s VAL 60 Cb 0.01 -3.47 -0.19 0.00 0.00 0.00 0.00 36.38 32.73 1wyn s VAL 60 CO 0.10 0.34 1.19 1.55 0.00 0.00 0.00 175.10 178.28 1wyn h PRO 61 N 7.59 -0.11 -2.65 2.72 0.13 -1.95 -3.48 132.00 134.26 1wyn h PRO 61 Ca -0.38 0.01 -0.09 0.00 -0.87 0.00 0.00 66.00 64.67 1wyn h PRO 61 Cb 1.17 0.02 -0.19 0.00 0.13 0.00 0.00 31.00 32.14 1wyn h PRO 61 CO 0.64 0.34 -0.06 0.21 -0.23 0.00 0.00 178.00 178.90 1wyn s LYS 62 N -4.17 0.87 -0.15 0.86 2.20 -1.26 -5.16 119.74 112.94 1wyn s LYS 62 Ca -0.15 -0.06 -0.04 0.00 -0.36 0.00 0.00 55.97 55.36 1wyn s LYS 62 Cb 0.01 0.40 -0.03 0.00 -1.51 0.00 0.00 37.83 36.70 1wyn s LYS 62 CO 0.61 -0.27 -0.02 0.42 -0.36 0.00 0.00 175.35 175.74 1wyn s ILE 63 N -1.54 4.09 -0.63 5.43 1.01 -1.26 -4.94 121.20 123.35 1wyn s ILE 63 Ca -0.11 -0.30 -0.24 0.00 0.00 0.00 0.00 60.65 60.00 1wyn s ILE 63 Cb -0.02 -2.78 0.05 0.00 0.01 0.00 0.00 42.46 39.71 1wyn s ILE 63 CO 0.05 0.51 1.03 0.20 0.00 0.00 0.00 174.94 176.73 1wyn s ASN 64 N 0.12 6.25 -0.29 3.58 0.01 -1.26 -4.91 114.94 118.44 1wyn s ASN 64 Ca 0.00 -0.59 -0.03 0.00 -0.71 0.00 0.00 52.86 51.52 1wyn s ASN 64 Cb -0.13 -2.46 0.01 0.00 0.41 0.00 0.00 41.25 39.08 1wyn s ASN 64 CO 0.02 -1.44 2.76 0.54 -1.51 0.00 0.00 177.10 177.47 1wyn n ARG 65 N 7.99 2.08 -4.31 -0.60 5.12 -1.26 -4.75 116.66 120.94 1wyn n ARG 65 Ca 0.00 -1.71 -0.25 0.00 -1.93 0.00 0.00 57.85 53.96 1wyn n ARG 65 Cb 0.47 -1.92 -0.09 0.00 -1.16 0.00 0.00 32.46 29.76 1wyn n ARG 65 CO 0.00 0.00 0.00 -1.12 -1.93 0.00 0.00 177.63 174.58 1wyn s SER 66 N 0.81 4.28 -0.45 0.55 0.01 -1.26 -5.03 113.70 112.61 1wyn s SER 66 Ca 0.51 -0.63 -0.00 0.00 1.31 0.00 0.00 55.95 57.13 1wyn s SER 66 Cb 0.31 -0.72 0.39 0.00 0.21 0.00 0.00 66.02 66.22 1wyn s SER 66 CO -0.11 0.07 1.92 0.23 0.41 0.00 0.00 173.24 175.76 1wyn n MET 67 N -0.27 2.16 -4.15 12.44 2.81 -1.26 -4.60 117.12 124.25 1wyn n MET 67 Ca -0.09 -2.40 -0.25 0.00 -1.81 0.00 0.00 57.70 53.15 1wyn n MET 67 Cb 0.57 -1.94 -0.06 0.00 -0.71 0.00 0.00 33.22 31.08 1wyn n MET 67 CO 0.00 0.00 0.00 -0.65 1.51 0.00 0.00 175.97 176.83 1wyn s GLN 68 N -2.74 2.70 0.00 0.03 -1.52 -1.26 -5.04 119.66 111.84 1wyn s GLN 68 Ca 0.47 -1.05 0.00 0.00 -1.95 0.00 0.00 55.36 52.83 1wyn s GLN 68 Cb 0.37 -2.49 0.00 0.00 -0.22 0.00 0.00 33.01 30.67 1wyn s GLN 68 CO 0.02 0.44 0.67 0.09 -0.25 0.00 0.00 175.29 176.26 1wyn n ASN 69 N -0.57 0.00 -0.34 5.90 3.02 -1.26 -1.30 115.26 120.72 1wyn n ASN 69 Ca -0.08 0.72 0.06 0.00 -0.03 0.00 0.00 54.58 55.25 1wyn n ASN 69 Cb 0.56 -0.31 0.13 0.00 -0.61 0.00 0.00 39.78 39.55 1wyn n ASN 69 CO 0.00 0.00 0.00 -2.67 -2.62 0.00 0.00 177.26 171.97 1wyn n TRP 70 N -1.44 0.33 0.15 3.10 2.14 -1.26 -0.05 117.44 120.41 1wyn n TRP 70 Ca 0.00 1.15 -0.14 0.00 2.07 0.00 0.00 57.50 60.58 1wyn n TRP 70 Cb 0.00 -1.04 -0.06 0.00 -0.81 0.00 0.00 31.31 29.39 1wyn n TRP 70 CO 0.00 0.00 0.00 0.45 2.07 0.00 0.00 177.69 180.21 1wyn h HIS 71 N 0.00 -0.82 -0.98 -2.67 3.86 -1.93 -0.98 115.15 111.62 1wyn h HIS 71 Ca 0.45 0.01 0.14 0.00 -1.16 0.00 0.00 60.37 59.81 1wyn h HIS 71 Cb 0.68 0.33 -0.09 0.00 1.06 0.00 0.00 27.41 29.40 1wyn h HIS 71 CO -0.72 -0.42 0.60 1.96 0.86 0.00 0.00 177.93 180.21 1wyn h GLN 72 N -0.57 0.86 0.42 2.45 4.20 0.89 -2.22 115.11 121.14 1wyn h GLN 72 Ca 0.01 -0.05 -0.02 0.00 0.06 0.00 0.00 58.65 58.65 1wyn h GLN 72 Cb 0.57 -0.20 0.00 0.00 0.30 0.00 0.00 27.48 28.15 1wyn h GLN 72 CO -0.12 0.57 -0.20 -0.07 -0.67 0.00 0.00 178.83 178.34 1wyn h LEU 73 N 0.89 -0.48 -0.98 1.46 -0.00 -0.31 -2.91 115.31 112.98 1wyn h LEU 73 Ca 0.51 -0.01 0.27 0.00 -0.00 0.00 0.00 57.88 58.65 1wyn h LEU 73 Cb 0.61 0.12 -0.18 0.00 -0.00 0.00 0.00 40.66 41.22 1wyn h LEU 73 CO -0.31 -0.30 0.04 -0.08 -0.00 0.00 0.00 178.44 177.79 1wyn h GLU 74 N -0.62 0.02 -0.34 1.13 4.81 -0.57 0.10 114.58 119.11 1wyn h GLU 74 Ca -0.06 -0.00 0.05 0.00 -0.13 0.00 0.00 59.36 59.22 1wyn h GLU 74 Cb 0.47 -0.00 -0.08 0.00 0.63 0.00 0.00 28.75 29.76 1wyn h GLU 74 CO 0.10 0.01 -0.54 -0.91 -0.73 0.00 0.00 179.01 176.94 1wyn h ASN 75 N 0.02 -1.78 0.16 1.04 2.35 -1.38 0.24 115.58 116.23 1wyn h ASN 75 Ca 0.60 0.23 -0.01 0.00 -0.55 0.00 0.00 56.30 56.57 1wyn h ASN 75 Cb 1.23 0.72 0.00 0.00 0.05 0.00 0.00 38.32 40.32 1wyn h ASN 75 CO -0.90 -0.42 -0.08 -0.07 -1.65 0.00 0.00 177.43 174.31 1wyn h LEU 76 N -0.44 -0.18 -1.08 1.61 3.38 -0.93 -1.11 115.31 116.56 1wyn h LEU 76 Ca 0.07 -0.07 0.27 0.00 0.09 0.00 0.00 57.88 58.24 1wyn h LEU 76 Cb 0.62 0.05 -0.12 0.00 0.09 0.00 0.00 40.66 41.29 1wyn h LEU 76 CO -0.55 -0.05 0.61 0.28 0.09 0.00 0.00 178.44 178.82 1wyn h SER 77 N -0.30 0.60 0.07 -0.43 0.02 -0.59 0.17 113.55 113.09 1wyn h SER 77 Ca -0.02 0.14 -0.00 0.00 -0.84 0.00 0.00 61.79 61.06 1wyn h SER 77 Cb 0.23 0.05 0.00 0.00 0.14 0.00 0.00 62.40 62.82 1wyn h SER 77 CO 0.04 0.05 -0.03 0.78 -1.14 0.00 0.00 176.83 176.52 1wyn h ASN 78 N 0.49 -0.08 -0.42 3.07 2.35 -0.21 -3.13 115.58 117.65 1wyn h ASN 78 Ca 0.66 -0.51 0.08 0.00 -0.55 0.00 0.00 56.30 55.98 1wyn h ASN 78 Cb 1.39 0.02 -0.07 0.00 0.05 0.00 0.00 38.32 39.71 1wyn h ASN 78 CO -0.46 0.52 -0.03 0.15 -1.65 0.00 0.00 177.43 175.96 1wyn h PHE 79 N -0.73 -0.07 -0.03 1.19 3.57 0.10 -2.33 116.94 118.64 1wyn h PHE 79 Ca -0.01 0.03 0.01 0.00 3.53 0.00 0.00 57.97 61.54 1wyn h PHE 79 Cb 0.59 0.10 -0.03 0.00 2.79 0.00 0.00 35.95 39.39 1wyn h PHE 79 CO 0.12 -0.11 -0.30 0.82 -2.23 0.00 0.00 178.31 176.61 1wyn h ILE 80 N 0.08 0.00 -1.20 1.41 2.04 -0.81 -0.13 117.51 118.90 1wyn h ILE 80 Ca 0.21 0.00 0.36 0.00 1.00 0.00 0.00 64.86 66.42 1wyn h ILE 80 Cb 0.31 0.00 -0.10 0.00 -0.74 0.00 0.00 36.82 36.29 1wyn h ILE 80 CO -0.37 0.00 0.79 0.11 0.00 0.00 0.00 178.15 178.68 1wyn h LYS 81 N -0.35 0.20 -0.29 2.37 1.79 -1.44 0.98 116.57 119.82 1wyn h LYS 81 Ca 0.01 -0.01 -0.09 0.00 -2.18 0.00 0.00 60.65 58.38 1wyn h LYS 81 Cb 0.39 -0.05 -0.02 0.00 -1.58 0.00 0.00 32.23 30.98 1wyn h LYS 81 CO -0.21 0.13 -0.18 0.00 -1.08 0.00 0.00 179.45 178.11 1wyn h ALA 82 N 1.57 1.15 -0.47 3.86 0.00 -0.51 -2.97 119.26 121.89 1wyn h ALA 82 Ca 0.70 -0.31 -0.03 0.00 0.00 0.00 0.00 54.91 55.27 1wyn h ALA 82 Cb 2.11 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 19.75 1wyn h ALA 82 CO -0.31 0.54 0.19 0.52 0.00 0.00 0.00 179.25 180.20 1wyn h MET 83 N 0.47 0.69 -0.79 0.00 2.86 0.20 -1.91 114.93 116.46 1wyn h MET 83 Ca 0.08 -0.12 0.11 0.00 -2.06 0.00 0.00 59.70 57.70 1wyn h MET 83 Cb 0.59 -0.11 -0.08 0.00 0.06 0.00 0.00 31.60 32.06 1wyn h MET 83 CO 0.04 0.62 0.42 0.28 1.06 0.00 0.00 176.91 179.32 1wyn h VAL 84 N 0.61 0.84 -0.40 -2.22 2.07 -1.34 -1.36 116.25 114.45 1wyn h VAL 84 Ca 0.16 -0.23 -0.13 0.00 0.82 0.00 0.00 66.70 67.31 1wyn h VAL 84 Cb 0.18 0.11 -0.01 0.00 -1.52 0.00 0.00 31.29 30.04 1wyn h VAL 84 CO -0.01 0.12 -0.28 -1.28 0.02 0.00 0.00 177.57 176.14 1wyn h SER 85 N 0.67 0.89 -0.46 0.57 0.87 -1.46 -3.17 113.55 111.46 1wyn h SER 85 Ca 0.40 -0.36 0.09 0.00 -1.23 0.00 0.00 61.79 60.69 1wyn h SER 85 Cb 0.44 -0.25 -0.09 0.00 -0.44 0.00 0.00 62.40 62.07 1wyn h SER 85 CO -0.29 1.11 -0.09 0.22 -0.53 0.00 0.00 176.83 177.25 1wyn h TYR 86 N 0.73 -0.20 0.00 2.24 3.20 -0.44 -3.45 116.97 119.04 1wyn h TYR 86 Ca 0.08 0.04 0.00 0.00 3.14 0.00 0.00 58.73 61.99 1wyn h TYR 86 Cb 0.84 0.16 0.00 0.00 1.54 0.00 0.00 36.73 39.27 1wyn h TYR 86 CO 0.05 -0.18 0.00 0.41 -1.64 0.00 0.00 178.16 176.80 1wyn n GLY 87 N -1.33 0.20 3.21 1.82 0.00 -1.04 -5.12 105.19 102.94 1wyn n GLY 87 Ca 0.04 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.88 1wyn n GLY 87 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1wyn n MET 88 N 0.00 0.33 -3.74 1.61 2.81 -1.20 -5.08 117.12 111.86 1wyn n MET 88 Ca 0.00 -2.41 -0.22 0.00 -1.81 0.00 0.00 57.70 53.26 1wyn n MET 88 Cb 0.00 -0.38 -0.02 0.00 -0.71 0.00 0.00 33.22 32.11 1wyn n MET 88 CO 0.00 0.00 0.00 -0.80 1.51 0.00 0.00 175.97 176.68 1wyn s ASN 89 N -4.17 6.30 0.00 7.83 -0.87 -1.26 -4.90 114.94 117.87 1wyn s ASN 89 Ca 0.53 0.20 0.14 0.00 -1.57 0.00 0.00 52.86 52.16 1wyn s ASN 89 Cb -0.04 -1.91 0.68 0.00 -0.02 0.00 0.00 41.25 39.97 1wyn s ASN 89 CO 0.34 -0.16 1.43 -0.81 -2.57 0.00 0.00 177.10 175.32 1wyn n PRO 90 N -1.56 0.11 -0.01 -0.60 -0.04 -1.26 -2.49 135.00 129.16 1wyn n PRO 90 Ca -0.07 0.20 0.04 0.00 -0.04 0.00 0.00 63.50 63.62 1wyn n PRO 90 Cb 0.57 -1.50 -0.06 0.00 -0.04 0.00 0.00 33.50 32.47 1wyn n PRO 90 CO 0.00 0.00 0.00 1.55 -0.04 0.00 0.00 175.50 177.01 1wyn n VAL 91 N -1.38 0.03 1.12 0.52 3.14 -1.26 -4.50 118.33 115.99 1wyn n VAL 91 Ca 0.05 -0.19 0.01 0.00 -2.96 0.00 0.00 64.34 61.25 1wyn n VAL 91 Cb 0.14 0.25 0.03 0.00 -1.06 0.00 0.00 33.84 33.20 1wyn n VAL 91 CO 0.00 0.00 0.00 0.47 -6.46 0.00 0.00 176.83 170.84 1wyn n ASP 92 N -1.81 1.11 -4.98 6.55 8.00 -1.04 -4.83 116.55 119.55 1wyn n ASP 92 Ca -0.02 -2.06 -0.22 0.00 0.71 0.00 0.00 54.79 53.20 1wyn n ASP 92 Cb 0.24 -0.38 0.03 0.00 -0.02 0.00 0.00 41.12 40.99 1wyn n ASP 92 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1wyn s LEU 93 N -0.48 3.05 -0.06 0.64 1.43 -1.25 -4.23 118.68 117.79 1wyn s LEU 93 Ca 0.05 -0.93 -0.08 0.00 -1.03 0.00 0.00 54.13 52.14 1wyn s LEU 93 Cb 0.03 -1.62 0.02 0.00 0.03 0.00 0.00 46.19 44.65 1wyn s LEU 93 CO 0.02 -1.15 0.22 0.72 0.23 0.00 0.00 176.35 176.38 1wyn s PHE 94 N -2.65 -0.19 0.69 0.29 -0.71 -1.26 -4.78 117.98 109.37 1wyn s PHE 94 Ca 0.51 0.44 -0.11 0.00 -1.04 0.00 0.00 56.93 56.73 1wyn s PHE 94 Cb -0.05 0.06 0.00 0.00 -1.21 0.00 0.00 43.02 41.83 1wyn s PHE 94 CO 0.32 -0.17 1.06 -1.21 -1.34 0.00 0.00 175.22 173.88 1wyn s GLU 95 N -0.28 2.99 0.17 1.99 2.02 -1.26 -4.90 118.70 119.44 1wyn s GLU 95 Ca -0.04 0.79 -0.10 0.00 0.02 0.00 0.00 54.97 55.63 1wyn s GLU 95 Cb -0.03 -2.01 0.07 0.00 0.10 0.00 0.00 34.13 32.26 1wyn s GLU 95 CO 0.01 -1.02 1.67 0.00 0.02 0.00 0.00 175.26 175.94 1wyn h ALA 96 N -0.65 0.80 -0.65 5.21 0.00 -1.93 -2.98 119.26 119.07 1wyn h ALA 96 Ca -0.44 -0.25 -0.05 0.00 0.00 0.00 0.00 54.91 54.17 1wyn h ALA 96 Cb 1.22 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 18.75 1wyn h ALA 96 CO 0.59 0.55 0.22 -2.95 0.00 0.00 0.00 179.25 177.66 1wyn h ASN 97 N 0.90 0.93 -0.95 0.00 7.08 -1.96 -0.77 115.58 120.81 1wyn h ASN 97 Ca 0.19 -0.20 0.30 0.00 -3.08 0.00 0.00 56.30 53.51 1wyn h ASN 97 Cb 0.41 -0.24 -0.18 0.00 -2.08 0.00 0.00 38.32 36.23 1wyn h ASN 97 CO 0.01 0.88 0.16 0.47 -2.08 0.00 0.00 177.43 176.87 1wyn n ASP 98 N -4.37 0.02 -0.09 6.14 8.00 -1.12 0.39 116.55 125.52 1wyn n ASP 98 Ca 0.04 1.60 -0.22 0.00 0.71 0.00 0.00 54.79 56.92 1wyn n ASP 98 Cb 0.20 -0.64 -0.12 0.00 -0.02 0.00 0.00 41.12 40.54 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 -5.34 2.04 0.07 0.64 7.94 -1.11 -0.04 117.00 121.20 1wyn n LEU 99 Ca 0.26 0.36 -0.11 0.00 -1.11 0.00 0.00 56.01 55.42 1wyn n LEU 99 Cb 0.88 -0.98 -0.07 0.00 0.53 0.00 0.00 43.42 43.78 1wyn n LEU 99 CO -0.05 0.43 0.51 0.15 -1.11 0.00 0.00 177.39 177.32 1wyn h PHE 100 N -0.77 -1.02 -0.85 1.96 3.57 0.03 -2.26 116.94 117.60 1wyn h PHE 100 Ca -0.40 0.03 -0.49 0.00 3.53 0.00 0.00 57.97 60.64 1wyn h PHE 100 Cb 1.49 0.43 -0.26 0.00 2.79 0.00 0.00 35.95 40.41 1wyn h PHE 100 CO 0.08 -0.39 0.62 0.39 -2.23 0.00 0.00 178.31 176.78 1wyn n GLU 101 N -4.43 2.19 -1.76 1.11 1.02 0.16 -4.86 120.64 114.07 1wyn n GLU 101 Ca -0.05 -2.63 -0.00 0.00 -0.02 0.00 0.00 57.16 54.45 1wyn n GLU 101 Cb 0.27 -2.03 -0.00 0.00 -0.02 0.00 0.00 31.44 29.66 1wyn n GLU 101 CO 0.00 0.00 0.00 -1.13 1.18 0.00 0.00 177.13 177.18 1wyn n SER 102 N -0.77 -0.53 0.18 1.62 3.41 -0.85 -4.67 113.62 112.01 1wyn n SER 102 Ca 0.52 0.25 0.12 0.00 -0.26 0.00 0.00 58.87 59.50 1wyn n SER 102 Cb 1.19 -0.77 0.62 0.00 -0.26 0.00 0.00 64.21 64.99 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 -5.92 5.00 0.00 -0.62 -3.40 103.07 98.14 1wyn h GLY 103 Ca -0.00 0.00 0.23 0.00 0.00 0.00 0.00 47.33 47.56 1wyn h GLY 103 CO 0.00 0.00 0.18 0.21 0.00 0.00 0.00 176.54 176.93 1wyn s ASN 104 N -4.06 -0.45 0.00 0.19 3.84 0.94 -4.82 114.94 110.58 1wyn s ASN 104 Ca -0.03 0.36 0.20 0.00 0.21 0.00 0.00 52.86 53.60 1wyn s ASN 104 Cb 0.07 1.41 -0.21 0.00 -0.55 0.00 0.00 41.25 41.96 1wyn s ASN 104 CO 0.21 -0.08 0.84 0.23 -2.79 0.00 0.00 177.10 175.50 1wyn n MET 105 N 5.31 0.49 0.05 0.43 2.81 -1.26 -4.02 117.12 120.93 1wyn n MET 105 Ca -0.07 -0.01 -0.22 0.00 -1.81 0.00 0.00 57.70 55.59 1wyn n MET 105 Cb 0.54 -1.43 -0.14 0.00 -0.71 0.00 0.00 33.22 31.47 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 0.02 0.96 -0.25 2.03 1.35 -1.94 -3.01 112.91 112.07 1wyn h THR 106 Ca 0.00 -2.46 -0.07 0.00 -0.55 0.00 0.00 66.41 63.33 1wyn h THR 106 Cb 0.47 2.74 -0.01 0.00 -1.73 0.00 0.00 68.15 69.61 1wyn h THR 106 CO 0.00 0.80 -0.17 -0.61 -0.25 0.00 0.00 175.52 175.30 1wyn h GLN 107 N -0.06 0.44 0.01 4.72 5.75 -1.92 -1.79 115.11 122.26 1wyn h GLN 107 Ca -0.33 -0.13 -0.20 0.00 -0.15 0.00 0.00 58.65 57.84 1wyn h GLN 107 Cb 1.96 -0.04 -0.01 0.00 1.07 0.00 0.00 27.48 30.46 1wyn h GLN 107 CO 0.13 0.59 -0.89 0.28 -2.65 0.00 0.00 178.83 176.29 1wyn h VAL 108 N 0.40 1.51 0.30 2.39 2.07 -1.73 -2.73 116.25 118.46 1wyn h VAL 108 Ca 0.07 -2.67 -0.01 0.00 0.82 0.00 0.00 66.70 64.91 1wyn h VAL 108 Cb 0.53 2.50 0.00 0.00 -1.52 0.00 0.00 31.29 32.80 1wyn h VAL 108 CO 0.03 0.78 -0.14 -0.61 0.02 0.00 0.00 177.57 177.65 1wyn h GLN 109 N 0.10 -0.39 -0.84 1.57 4.15 -1.34 -3.13 115.11 115.23 1wyn h GLN 109 Ca -0.05 0.03 0.06 0.00 0.77 0.00 0.00 58.65 59.46 1wyn h GLN 109 Cb 1.53 0.09 -0.05 0.00 0.21 0.00 0.00 27.48 29.26 1wyn h GLN 109 CO 0.14 -0.05 0.55 -0.39 -1.93 0.00 0.00 178.83 177.15 1wyn h VAL 110 N -0.86 1.08 -0.52 2.39 -1.51 -1.45 -2.11 116.25 113.27 1wyn h VAL 110 Ca -0.04 -0.33 0.10 0.00 -1.23 0.00 0.00 66.70 65.20 1wyn h VAL 110 Cb 0.52 0.03 -0.08 0.00 -2.13 0.00 0.00 31.29 29.62 1wyn h VAL 110 CO 0.07 0.18 0.06 -1.28 -1.23 0.00 0.00 177.57 175.36 1wyn h SER 111 N 0.97 -0.11 -0.39 4.19 0.87 -1.49 0.26 113.55 117.84 1wyn h SER 111 Ca 0.35 0.11 -0.13 0.00 -1.23 0.00 0.00 61.79 60.90 1wyn h SER 111 Cb 0.17 0.18 -0.01 0.00 -0.44 0.00 0.00 62.40 62.29 1wyn h SER 111 CO -0.12 -0.03 -0.26 -0.07 -0.53 0.00 0.00 176.83 175.82 1wyn h LEU 112 N 0.18 0.90 -1.91 2.23 3.38 -1.36 -0.28 115.31 118.45 1wyn h LEU 112 Ca 0.27 -0.43 -0.03 0.00 0.09 0.00 0.00 57.88 57.78 1wyn h LEU 112 Cb 0.39 -0.25 -0.00 0.00 0.09 0.00 0.00 40.66 40.89 1wyn h LEU 112 CO -0.39 1.14 -0.12 -0.07 0.09 0.00 0.00 178.44 179.08 1wyn h LEU 113 N 0.67 0.00 0.13 1.67 3.38 -0.67 0.10 115.31 120.60 1wyn h LEU 113 Ca 0.08 0.00 -0.34 0.00 0.09 0.00 0.00 57.88 57.71 1wyn h LEU 113 Cb 0.83 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.57 1wyn h LEU 113 CO 0.07 0.12 -1.75 0.00 0.09 0.00 0.00 178.44 176.98 1wyn h ALA 114 N 1.88 0.32 -0.33 1.53 0.00 -0.28 -3.27 119.26 119.11 1wyn h ALA 114 Ca -0.00 -1.23 -0.14 0.00 0.00 0.00 0.00 54.91 53.54 1wyn h ALA 114 Cb 0.27 0.47 -0.01 0.00 0.00 0.00 0.00 17.79 18.52 1wyn h ALA 114 CO 0.02 1.19 -0.35 1.25 0.00 0.00 0.00 179.25 181.35 1wyn h LEU 115 N 0.08 0.78 -0.81 0.00 5.85 -0.71 -3.07 115.31 117.43 1wyn h LEU 115 Ca -0.33 -0.34 -0.04 0.00 0.84 0.00 0.00 57.88 58.02 1wyn h LEU 115 Cb 2.05 -0.22 -0.04 0.00 0.37 0.00 0.00 40.66 42.83 1wyn h LEU 115 CO 0.14 1.06 0.35 0.00 -0.34 0.00 0.00 178.44 179.65 1wyn h ALA 116 N 0.98 1.05 -1.00 1.25 0.00 -1.13 -2.37 119.26 118.05 1wyn h ALA 116 Ca 0.06 -0.18 0.12 0.00 0.00 0.00 0.00 54.91 54.91 1wyn h ALA 116 Cb 0.89 -0.32 -0.08 0.00 0.00 0.00 0.00 17.79 18.28 1wyn h ALA 116 CO 0.08 0.65 0.63 0.78 0.00 0.00 0.00 179.25 181.39 1wyn h GLY 117 N 1.17 1.62 0.90 0.00 0.00 -1.58 -1.12 103.07 104.05 1wyn h GLY 117 Ca 0.27 -0.42 -0.15 0.00 0.00 0.00 0.00 47.33 47.03 1wyn h GLY 117 CO -0.03 0.16 -0.52 1.70 0.00 0.00 0.00 176.54 177.85 1wyn h LYS 118 N 0.98 0.54 -0.88 4.80 3.64 -1.52 -3.22 116.57 120.91 1wyn h LYS 118 Ca 0.50 -0.44 0.09 0.00 -1.27 0.00 0.00 60.65 59.53 1wyn h LYS 118 Cb 0.50 0.09 -0.06 0.00 -0.41 0.00 0.00 32.23 32.35 1wyn h LYS 118 CO -0.26 1.07 0.57 0.00 -2.27 0.00 0.00 179.45 178.55 1wyn h ALA 119 N 0.48 1.62 -1.06 5.00 0.00 -0.87 -1.74 119.26 122.69 1wyn h ALA 119 Ca -0.03 -0.01 0.34 0.00 0.00 0.00 0.00 54.91 55.21 1wyn h ALA 119 Cb 1.16 -0.21 -0.14 0.00 0.00 0.00 0.00 17.79 18.59 1wyn h ALA 119 CO 0.11 0.21 0.63 0.87 0.00 0.00 0.00 179.25 181.06 1wyn h LYS 120 N 0.90 0.27 -1.02 0.00 1.57 -1.23 0.10 116.57 117.15 1wyn h LYS 120 Ca 0.40 -0.02 0.39 0.00 -1.87 0.00 0.00 60.65 59.56 1wyn h LYS 120 Cb 0.36 -0.06 -0.14 0.00 0.08 0.00 0.00 32.23 32.47 1wyn h LYS 120 CO -0.17 0.18 0.61 -2.37 -0.57 0.00 0.00 179.45 177.13 1wyn n THR 121 N -4.96 -0.30 -0.31 -0.16 5.66 -0.66 0.28 114.28 113.84 1wyn n THR 121 Ca 0.32 1.68 0.03 0.00 -3.05 0.00 0.00 64.05 63.03 1wyn n THR 121 Cb 1.07 -2.74 0.10 0.00 -1.55 0.00 0.00 70.33 67.21 1wyn n THR 121 CO 0.00 0.00 0.00 0.11 -3.05 0.00 0.00 175.07 172.13 1wyn h LYS 122 N 0.00 -0.01 -0.69 1.09 6.56 -1.01 -3.35 116.57 119.17 1wyn h LYS 122 Ca 0.75 0.00 -0.19 0.00 -1.06 0.00 0.00 60.65 60.16 1wyn h LYS 122 Cb 2.19 0.00 -0.16 0.00 -0.57 0.00 0.00 32.23 33.69 1wyn h LYS 122 CO -0.55 -0.01 -0.50 0.41 -2.06 0.00 0.00 179.45 176.74 1wyn n GLY 123 N -1.55 -0.29 3.61 3.86 0.00 0.14 -5.15 105.19 105.81 1wyn n GLY 123 Ca 0.12 0.30 -0.25 0.00 0.00 0.00 0.00 46.02 46.20 1wyn n GLY 123 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 173.32 174.79 1wyn n LEU 124 N 2.48 0.00 -4.12 0.99 -0.00 -1.02 -5.03 117.00 110.30 1wyn n LEU 124 Ca 0.15 -2.75 -0.34 0.00 -0.00 0.00 0.00 56.01 53.07 1wyn n LEU 124 Cb 0.58 -0.01 -0.13 0.00 -0.00 0.00 0.00 43.42 43.86 1wyn n LEU 124 CO 0.00 -0.56 -0.29 -1.58 -0.00 0.00 0.00 177.39 174.96 1wyn s GLN 125 N -4.12 2.08 0.02 1.47 2.00 -1.26 -5.07 119.66 114.78 1wyn s GLN 125 Ca 0.27 -1.59 -0.39 0.00 -2.00 0.00 0.00 55.36 51.66 1wyn s GLN 125 Cb -0.02 -3.31 -0.20 0.00 0.80 0.00 0.00 33.01 30.28 1wyn s GLN 125 CO 0.17 -0.84 1.02 0.43 -0.50 0.00 0.00 175.29 175.57 1wyn n SER 126 N 4.53 -0.12 0.00 6.67 7.64 -1.26 -4.90 113.62 126.18 1wyn n SER 126 Ca -0.06 1.16 0.00 0.00 1.01 0.00 0.00 58.87 60.98 1wyn n SER 126 Cb 0.42 -0.92 0.00 0.00 -1.01 0.00 0.00 64.21 62.70 1wyn n SER 126 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1wyn n GLY 127 N 1.54 4.56 3.35 0.23 0.00 -1.26 -5.12 105.19 108.49 1wyn n GLY 127 Ca 0.20 -0.61 -0.38 0.00 0.00 0.00 0.00 46.02 45.23 1wyn n GLY 127 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 1wyn n VAL 128 N 0.00 1.17 -0.52 1.61 3.14 -1.26 -4.93 118.33 117.55 1wyn n VAL 128 Ca 0.00 -0.48 -0.29 0.00 -2.96 0.00 0.00 64.34 60.61 1wyn n VAL 128 Cb 0.00 -0.40 0.27 0.00 -1.06 0.00 0.00 33.84 32.65 1wyn n VAL 128 CO 0.00 0.00 0.00 -1.81 -6.46 0.00 0.00 176.83 168.56 1wyn s ASP 129 N -1.17 -0.03 -0.16 6.55 1.01 -1.26 -4.99 116.67 116.62 1wyn s ASP 129 Ca 0.61 1.11 -0.23 0.00 0.71 0.00 0.00 52.55 54.76 1wyn s ASP 129 Cb -0.42 -1.66 -0.20 0.00 1.01 0.00 0.00 42.92 41.65 1wyn s ASP 129 CO 0.62 -4.77 0.46 0.40 0.21 0.00 0.00 175.17 172.09 1wyn h ILE 130 N -3.01 1.23 -5.22 0.77 5.03 -2.02 -3.50 117.51 110.79 1wyn h ILE 130 Ca -0.52 -2.08 0.01 0.00 -0.12 0.00 0.00 64.86 62.14 1wyn h ILE 130 Cb 1.34 2.49 -0.08 0.00 -3.03 0.00 0.00 36.82 37.53 1wyn h ILE 130 CO 0.39 0.42 -1.27 0.61 -0.68 0.00 0.00 178.15 177.62 1wyn n GLY 131 N 1.57 -4.29 3.26 5.37 0.00 -1.26 -5.06 105.19 104.78 1wyn n GLY 131 Ca -0.16 1.23 -0.13 0.00 0.00 0.00 0.00 46.02 46.96 1wyn n GLY 131 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1wyn s VAL 132 N -0.87 0.04 -0.11 1.61 1.01 -1.26 -5.06 120.40 115.77 1wyn s VAL 132 Ca -0.18 -0.29 0.04 0.00 0.00 0.00 0.00 61.98 61.55 1wyn s VAL 132 Cb 0.01 -0.60 -0.09 0.00 0.00 0.00 0.00 36.38 35.70 1wyn s VAL 132 CO 0.68 -0.16 -0.05 2.29 0.00 0.00 0.00 175.10 177.86 1wyn n LYS 133 N 1.80 1.22 -3.49 2.72 2.85 -1.26 -5.09 118.16 116.91 1wyn n LYS 133 Ca -0.19 0.04 -0.09 0.00 -1.05 0.00 0.00 58.31 57.02 1wyn n LYS 133 Cb 0.57 -1.24 -0.02 0.00 -0.65 0.00 0.00 35.03 33.69 1wyn n LYS 133 CO 0.00 0.00 0.00 -0.47 -0.05 0.00 0.00 177.40 176.88 1wyn s TYR 134 N -2.23 -0.39 -0.29 5.58 5.04 -1.26 -5.15 117.35 118.64 1wyn s TYR 134 Ca -0.11 0.26 0.02 0.00 -2.44 0.00 0.00 57.07 54.79 1wyn s TYR 134 Cb 0.04 0.54 0.18 0.00 0.35 0.00 0.00 41.96 43.07 1wyn s TYR 134 CO 0.32 -0.61 0.55 -1.54 -1.34 0.00 0.00 175.55 172.93 1wyn s SER 135 N -2.50 -1.11 0.34 4.32 1.04 -1.26 -5.16 113.70 109.36 1wyn s SER 135 Ca 0.04 0.44 -0.10 0.00 0.48 0.00 0.00 55.95 56.81 1wyn s SER 135 Cb -0.01 1.90 -0.07 0.00 0.10 0.00 0.00 66.02 67.94 1wyn s SER 135 CO -0.10 -0.29 0.68 -0.70 0.98 0.00 0.00 173.24 173.81 1wyn s GLU 136 N 2.78 3.79 -0.11 4.02 2.56 -1.26 -5.09 118.70 125.40 1wyn s GLU 136 Ca 0.15 0.36 -0.02 0.00 0.00 0.00 0.00 54.97 55.46 1wyn s GLU 136 Cb -0.13 -2.50 0.04 0.00 2.00 0.00 0.00 34.13 33.54 1wyn s GLU 136 CO -0.23 0.11 0.03 0.21 -0.56 0.00 0.00 175.26 174.82 1wyn s LYS 137 N -3.46 0.48 -0.21 4.30 2.20 -1.26 -5.11 119.74 116.68 1wyn s LYS 137 Ca 0.49 -0.00 -0.04 0.00 -0.36 0.00 0.00 55.97 56.06 1wyn s LYS 137 Cb -0.11 -1.27 0.11 0.00 -1.51 0.00 0.00 37.83 35.05 1wyn s LYS 137 CO 0.27 -0.42 0.35 -1.14 -0.36 0.00 0.00 175.35 174.05 1wyn s GLN 138 N 1.99 0.29 -0.28 4.03 0.74 -1.26 -5.14 119.66 120.03 1wyn s GLN 138 Ca 0.03 0.66 -0.25 0.00 0.05 0.00 0.00 55.36 55.85 1wyn s GLN 138 Cb -0.14 -0.28 0.13 0.00 1.10 0.00 0.00 33.01 33.83 1wyn s GLN 138 CO -0.06 -0.49 1.09 -2.00 -0.55 0.00 0.00 175.29 173.29 1wyn s GLU 139 N 2.52 0.44 -0.03 1.67 -6.30 -1.26 -5.12 118.70 110.63 1wyn s GLU 139 Ca 0.07 0.49 0.01 0.00 -2.50 0.00 0.00 54.97 53.04 1wyn s GLU 139 Cb -0.14 0.21 0.01 0.00 0.00 0.00 0.00 34.13 34.22 1wyn s GLU 139 CO -0.13 -0.06 -0.05 0.50 0.02 0.00 0.00 175.26 175.53 1wyn s ARG 140 N 0.10 0.71 -0.30 4.30 3.52 -1.26 -5.12 118.95 120.91 1wyn s ARG 140 Ca 0.04 -0.16 -0.14 0.00 -0.13 0.00 0.00 55.73 55.34 1wyn s ARG 140 Cb -0.05 -0.71 0.18 0.00 -1.56 0.00 0.00 34.95 32.81 1wyn s ARG 140 CO -0.07 0.01 1.03 -1.54 -0.81 0.00 0.00 175.30 173.92 1wyn s SER 141 N 0.49 -0.51 -0.50 -2.12 1.04 -1.26 -5.09 113.70 105.76 1wyn s SER 141 Ca -0.06 0.47 0.08 0.00 0.48 0.00 0.00 55.95 56.92 1wyn s SER 141 Cb -0.10 1.49 0.31 0.00 0.10 0.00 0.00 66.02 67.81 1wyn s SER 141 CO 0.00 -0.10 0.76 0.61 0.98 0.00 0.00 173.24 175.50 1wyn n GLY 142 N 5.21 4.38 3.77 7.32 0.00 -1.26 -5.10 105.19 119.51 1wyn n GLY 142 Ca -0.07 -2.26 -0.33 0.00 0.00 0.00 0.00 46.02 43.35 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 -2.54 2.90 0.24 1.61 0.04 -1.26 -4.94 135.00 131.05 1wyn s PRO 143 Ca 0.42 1.42 -0.30 0.00 0.04 0.00 0.00 61.00 62.58 1wyn s PRO 143 Cb 0.25 -1.96 -0.15 0.00 0.04 0.00 0.00 34.50 32.68 1wyn s PRO 143 CO -0.09 -1.18 1.08 0.43 0.04 0.00 0.00 177.00 177.28 1wyn n SER 144 N -2.23 1.31 -4.76 6.66 7.64 -1.26 -4.90 113.62 116.08 1wyn n SER 144 Ca 0.11 1.16 -0.40 0.00 1.01 0.00 0.00 58.87 60.75 1wyn n SER 144 Cb 0.52 -1.26 -0.04 0.00 -1.01 0.00 0.00 64.21 62.43 1wyn n SER 144 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 1wyn s SER 145 N -0.30 7.11 0.00 6.43 1.04 -1.26 -5.22 113.70 121.50 1wyn s SER 145 Ca 0.65 2.34 0.00 0.00 0.48 0.00 0.00 55.95 59.42 1wyn s SER 145 Cb -0.77 -2.63 0.00 0.00 0.10 0.00 0.00 66.02 62.73 1wyn s SER 145 CO 0.56 -0.26 0.00 0.61 0.98 0.00 0.00 173.24 175.13