#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 6.59 -0.10 1.61 0.15 -1.26 -4.99 113.70 115.70 1wyn s SER 2 Ca 0.00 -1.90 -0.29 0.00 0.70 0.00 0.00 55.95 54.46 1wyn s SER 2 Cb 0.00 -2.43 -0.05 0.00 -1.71 0.00 0.00 66.02 61.82 1wyn s SER 2 CO 0.00 -1.16 1.75 -0.44 1.20 0.00 0.00 173.24 174.59 1wyn s SER 3 N 3.90 6.44 0.00 5.45 0.01 -1.26 -4.73 113.70 123.51 1wyn s SER 3 Ca 0.35 2.12 0.00 0.00 1.31 0.00 0.00 55.95 59.73 1wyn s SER 3 Cb -0.04 -2.53 0.00 0.00 0.21 0.00 0.00 66.02 63.66 1wyn s SER 3 CO -0.09 -1.14 0.00 0.61 0.41 0.00 0.00 173.24 173.03 1wyn n GLY 4 N 4.50 -1.65 3.57 3.44 0.00 -1.26 -4.91 105.19 108.88 1wyn n GLY 4 Ca 0.19 -2.06 -0.41 0.00 0.00 0.00 0.00 46.02 43.75 1wyn n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1wyn s SER 5 N -4.00 6.31 -0.30 1.61 0.01 -1.26 -5.01 113.70 111.06 1wyn s SER 5 Ca 0.00 0.07 -0.11 0.00 1.31 0.00 0.00 55.95 57.22 1wyn s SER 5 Cb 0.00 -2.25 0.14 0.00 0.21 0.00 0.00 66.02 64.11 1wyn s SER 5 CO 0.00 -0.39 0.71 -0.44 0.41 0.00 0.00 173.24 173.53 1wyn s SER 6 N 1.71 -1.05 0.00 2.44 0.01 -1.26 -5.06 113.70 110.49 1wyn s SER 6 Ca 0.18 1.44 0.00 0.00 1.31 0.00 0.00 55.95 58.87 1wyn s SER 6 Cb -0.16 2.19 0.00 0.00 0.21 0.00 0.00 66.02 68.26 1wyn s SER 6 CO 0.12 -0.20 0.00 0.61 0.41 0.00 0.00 173.24 174.18 1wyn n GLY 7 N 5.36 0.13 3.44 3.44 0.00 -1.26 -5.07 105.19 111.23 1wyn n GLY 7 Ca -0.11 -0.33 -0.16 0.00 0.00 0.00 0.00 46.02 45.41 1wyn n GLY 7 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1wyn s ASN 8 N 0.00 -0.52 -0.51 1.61 3.84 -1.26 -5.12 114.94 112.97 1wyn s ASN 8 Ca 0.00 0.48 -0.18 0.00 0.21 0.00 0.00 52.86 53.37 1wyn s ASN 8 Cb 0.00 0.49 0.07 0.00 -0.55 0.00 0.00 41.25 41.25 1wyn s ASN 8 CO 0.00 -0.60 0.59 -0.60 -2.79 0.00 0.00 177.10 173.70 1wyn s ARG 9 N -1.48 3.08 -0.07 0.43 3.00 -1.26 -5.04 118.95 117.62 1wyn s ARG 9 Ca -0.10 -1.06 0.04 0.00 -1.00 0.00 0.00 55.73 53.61 1wyn s ARG 9 Cb -0.01 -4.13 -0.00 0.00 0.00 0.00 0.00 34.95 30.80 1wyn s ARG 9 CO 0.06 -1.23 -0.20 -0.48 0.00 0.00 0.00 175.30 173.45 1wyn s LEU 10 N 2.42 1.95 0.83 -0.88 2.34 -1.26 -5.12 118.68 118.97 1wyn s LEU 10 Ca 0.12 -0.44 -0.15 0.00 0.06 0.00 0.00 54.13 53.72 1wyn s LEU 10 Cb -0.21 -1.16 -0.03 0.00 -0.56 0.00 0.00 46.19 44.23 1wyn s LEU 10 CO 0.10 0.15 0.31 0.00 -1.06 0.00 0.00 176.35 175.85 1wyn n LEU 11 N 3.33 -0.50 -4.56 1.48 -0.00 -1.26 -4.77 117.00 110.72 1wyn n LEU 11 Ca -0.19 0.45 -0.30 0.00 -0.00 0.00 0.00 56.01 55.97 1wyn n LEU 11 Cb 0.53 -1.15 -0.05 0.00 -0.00 0.00 0.00 43.42 42.75 1wyn n LEU 11 CO 0.26 -3.70 1.39 -0.44 -0.00 0.00 0.00 177.39 174.90 1wyn s SER 12 N -1.62 5.27 -0.13 1.45 0.01 -1.26 -4.93 113.70 112.50 1wyn s SER 12 Ca 0.59 -0.57 -0.29 0.00 1.31 0.00 0.00 55.95 56.99 1wyn s SER 12 Cb -0.28 -2.56 -0.04 0.00 0.21 0.00 0.00 66.02 63.35 1wyn s SER 12 CO 0.65 -2.59 1.58 -0.75 0.41 0.00 0.00 173.24 172.54 1wyn s LYS 13 N 6.85 4.05 -0.32 12.44 2.20 -1.26 -4.92 119.74 138.79 1wyn s LYS 13 Ca 0.67 1.92 -0.08 0.00 -0.36 0.00 0.00 55.97 58.13 1wyn s LYS 13 Cb -0.07 -3.97 0.02 0.00 -1.51 0.00 0.00 37.83 32.30 1wyn s LYS 13 CO 0.02 -0.98 0.11 -0.47 -0.36 0.00 0.00 175.35 173.67 1wyn s TYR 14 N 4.37 3.19 -0.00 4.03 6.14 -1.26 -4.81 117.35 129.02 1wyn s TYR 14 Ca 0.70 -1.01 0.07 0.00 0.64 0.00 0.00 57.07 57.46 1wyn s TYR 14 Cb -0.29 -2.30 -0.02 0.00 0.42 0.00 0.00 41.96 39.78 1wyn s TYR 14 CO 0.27 -0.60 -0.20 0.34 0.64 0.00 0.00 175.55 175.99 1wyn s ASP 15 N 1.50 2.41 0.50 4.32 2.15 -1.26 -5.03 116.67 121.26 1wyn s ASP 15 Ca 0.02 -0.41 0.28 0.00 0.43 0.00 0.00 52.55 52.88 1wyn s ASP 15 Cb -0.18 -0.25 1.19 0.00 -0.30 0.00 0.00 42.92 43.38 1wyn s ASP 15 CO 0.04 0.23 1.93 1.55 -0.17 0.00 0.00 175.17 178.74 1wyn h PRO 16 N 5.44 0.00 0.09 4.34 0.13 -2.01 -3.02 132.00 136.96 1wyn h PRO 16 Ca -0.40 0.00 -0.19 0.00 -0.87 0.00 0.00 66.00 64.55 1wyn h PRO 16 Cb 1.14 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.28 1wyn h PRO 16 CO 0.47 0.13 -0.92 1.96 -0.23 0.00 0.00 178.00 179.41 1wyn h GLN 17 N 0.00 0.19 -0.54 0.86 7.50 -2.02 -3.36 115.11 117.74 1wyn h GLN 17 Ca -0.00 -0.33 0.08 0.00 0.50 0.00 0.00 58.65 58.90 1wyn h GLN 17 Cb 0.59 0.12 -0.07 0.00 0.05 0.00 0.00 27.48 28.17 1wyn h GLN 17 CO 0.02 1.16 0.17 0.87 -1.50 0.00 0.00 178.83 179.54 1wyn h LYS 18 N -0.53 0.32 -0.99 1.46 1.79 -1.98 -1.75 116.57 114.89 1wyn h LYS 18 Ca -0.19 -0.02 0.32 0.00 -2.18 0.00 0.00 60.65 58.58 1wyn h LYS 18 Cb 1.53 -0.07 -0.18 0.00 -1.58 0.00 0.00 32.23 31.92 1wyn h LYS 18 CO 0.05 0.21 0.19 -1.91 -1.08 0.00 0.00 179.45 176.92 1wyn n GLU 19 N -5.04 -0.07 -0.12 3.15 0.00 -1.15 0.18 120.64 117.58 1wyn n GLU 19 Ca 0.07 1.44 -0.08 0.00 0.00 0.00 0.00 57.16 58.60 1wyn n GLU 19 Cb 0.24 -2.39 0.08 0.00 0.00 0.00 0.00 31.44 29.38 1wyn n GLU 19 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 1wyn h ALA 20 N 1.98 0.90 -0.77 4.31 0.00 -1.50 -2.81 119.26 121.37 1wyn h ALA 20 Ca 0.68 -0.34 0.07 0.00 0.00 0.00 0.00 54.91 55.32 1wyn h ALA 20 Cb 1.56 -0.18 -0.05 0.00 0.00 0.00 0.00 17.79 19.12 1wyn h ALA 20 CO -0.88 0.63 0.51 0.93 0.00 0.00 0.00 179.25 180.44 1wyn h GLU 21 N 0.77 0.79 0.08 0.00 5.08 0.19 0.28 114.58 121.78 1wyn h GLU 21 Ca 0.12 -0.05 -0.00 0.00 -1.00 0.00 0.00 59.36 58.43 1wyn h GLU 21 Cb 0.64 -0.18 0.00 0.00 0.50 0.00 0.00 28.75 29.72 1wyn h GLU 21 CO 0.04 0.53 -0.04 -0.07 -1.00 0.00 0.00 179.01 178.47 1wyn h LEU 22 N 0.82 -0.09 -1.56 1.33 3.38 -1.14 -2.11 115.31 115.94 1wyn h LEU 22 Ca 0.34 0.00 0.33 0.00 0.09 0.00 0.00 57.88 58.64 1wyn h LEU 22 Cb 0.26 0.02 -0.09 0.00 0.09 0.00 0.00 40.66 40.94 1wyn h LEU 22 CO -0.12 -0.02 0.78 0.08 0.09 0.00 0.00 178.44 179.25 1wyn h ARG 23 N -0.19 0.20 0.00 1.13 -0.00 -1.48 1.18 114.38 115.23 1wyn h ARG 23 Ca -0.01 -0.01 -0.11 0.00 -0.00 0.00 0.00 59.98 59.84 1wyn h ARG 23 Cb 0.08 -0.05 -0.02 0.00 -0.00 0.00 0.00 29.97 29.99 1wyn h ARG 23 CO 0.02 0.14 -0.55 1.15 -0.00 0.00 0.00 179.97 180.73 1wyn h THR 24 N 0.21 1.31 0.04 0.08 2.02 -0.98 0.10 112.91 115.69 1wyn h THR 24 Ca 0.65 -1.92 -0.29 0.00 0.77 0.00 0.00 66.41 65.62 1wyn h THR 24 Cb 2.01 2.06 -0.03 0.00 -1.74 0.00 0.00 68.15 70.45 1wyn h THR 24 CO -0.24 0.54 -1.55 -0.25 0.37 0.00 0.00 175.52 174.38 1wyn h TRP 25 N 0.00 0.16 0.01 3.16 7.01 0.19 -3.34 115.95 123.14 1wyn h TRP 25 Ca -0.01 -0.11 -0.00 0.00 2.11 0.00 0.00 58.89 60.88 1wyn h TRP 25 Cb 1.02 -0.01 0.00 0.00 -2.10 0.00 0.00 29.16 28.07 1wyn h TRP 25 CO 0.00 1.17 -0.00 0.82 -2.79 0.00 0.00 178.44 177.64 1wyn h ILE 26 N 0.02 0.97 -0.98 2.65 2.04 -0.30 -2.94 117.51 118.97 1wyn h ILE 26 Ca -0.23 -1.71 0.33 0.00 1.00 0.00 0.00 64.86 64.24 1wyn h ILE 26 Cb 1.97 1.83 -0.17 0.00 -0.74 0.00 0.00 36.82 39.71 1wyn h ILE 26 CO 0.11 0.33 0.30 -0.33 0.00 0.00 0.00 178.15 178.56 1wyn h GLU 27 N -1.00 0.06 -0.03 2.37 5.08 -0.99 0.90 114.58 120.98 1wyn h GLU 27 Ca -0.00 -0.00 -0.19 0.00 -1.00 0.00 0.00 59.36 58.16 1wyn h GLU 27 Cb 0.54 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.77 1wyn h GLU 27 CO 0.00 0.04 -0.82 0.78 -1.00 0.00 0.00 179.01 178.01 1wyn h GLY 28 N 0.07 0.34 0.79 -3.84 0.00 -1.68 0.78 103.07 99.52 1wyn h GLY 28 Ca 0.70 -0.54 -0.03 0.00 0.00 0.00 0.00 47.33 47.45 1wyn h GLY 28 CO -0.80 0.48 -0.33 1.41 0.00 0.00 0.00 176.54 177.30 1wyn h LEU 29 N 0.19 -0.78 0.00 3.11 3.38 0.92 -3.29 115.31 118.84 1wyn h LEU 29 Ca -0.04 -0.00 -0.19 0.00 0.09 0.00 0.00 57.88 57.73 1wyn h LEU 29 Cb 1.43 0.20 -0.03 0.00 0.09 0.00 0.00 40.66 42.35 1wyn h LEU 29 CO 0.13 -0.43 -1.03 0.71 0.09 0.00 0.00 178.44 177.91 1wyn h THR 30 N -1.15 1.27 0.00 0.22 1.35 -1.14 -3.48 112.91 109.97 1wyn h THR 30 Ca -0.09 -2.90 0.00 0.00 -0.55 0.00 0.00 66.41 62.87 1wyn h THR 30 Cb 0.74 2.61 0.00 0.00 -1.73 0.00 0.00 68.15 69.76 1wyn h THR 30 CO 0.16 0.72 0.00 0.61 -0.25 0.00 0.00 175.52 176.76 1wyn n GLY 31 N 1.36 0.43 3.97 5.82 0.00 0.27 -5.05 105.19 111.98 1wyn n GLY 31 Ca -0.03 -0.93 -0.21 0.00 0.00 0.00 0.00 46.02 44.84 1wyn n GLY 31 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1wyn s LEU 32 N 0.00 3.12 -0.26 0.99 1.43 -1.13 -4.98 118.68 117.85 1wyn s LEU 32 Ca 0.00 -0.88 0.02 0.00 -1.03 0.00 0.00 54.13 52.24 1wyn s LEU 32 Cb 0.00 -1.73 0.05 0.00 0.03 0.00 0.00 46.19 44.54 1wyn s LEU 32 CO 0.00 -1.08 -0.09 -0.44 0.23 0.00 0.00 176.35 174.97 1wyn s SER 33 N -4.43 4.48 0.10 2.29 0.01 -1.26 -4.58 113.70 110.31 1wyn s SER 33 Ca 0.51 -1.32 -0.35 0.00 1.31 0.00 0.00 55.95 56.10 1wyn s SER 33 Cb -0.05 -1.59 -0.16 0.00 0.21 0.00 0.00 66.02 64.44 1wyn s SER 33 CO 0.31 -0.19 1.56 0.40 0.41 0.00 0.00 173.24 175.73 1wyn h ILE 34 N 6.64 0.00 0.00 1.44 2.04 -1.95 -3.49 117.51 122.19 1wyn h ILE 34 Ca -0.21 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.65 1wyn h ILE 34 Cb 1.05 0.00 0.00 0.00 -0.74 0.00 0.00 36.82 37.13 1wyn h ILE 34 CO 0.49 0.00 0.00 0.61 0.00 0.00 0.00 178.15 179.25 1wyn n GLY 35 N -1.51 0.69 0.19 5.37 0.00 -1.26 -4.24 105.19 104.43 1wyn n GLY 35 Ca -0.10 -2.18 -0.03 0.00 0.00 0.00 0.00 46.02 43.71 1wyn n GLY 35 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1wyn h PRO 36 N 8.34 0.25 -3.95 1.61 0.13 -2.03 -3.38 132.00 132.96 1wyn h PRO 36 Ca 0.00 -0.13 -0.73 0.00 -0.87 0.00 0.00 66.00 64.27 1wyn h PRO 36 Cb 0.00 0.00 -0.31 0.00 0.13 0.00 0.00 31.00 30.83 1wyn h PRO 36 CO 0.00 0.66 -0.26 -0.51 -0.23 0.00 0.00 178.00 177.66 1wyn s ASP 37 N -6.88 5.81 0.08 1.44 1.11 -1.26 -4.97 116.67 112.00 1wyn s ASP 37 Ca -0.04 -2.42 -0.21 0.00 0.18 0.00 0.00 52.55 50.06 1wyn s ASP 37 Cb 0.13 -2.01 -0.07 0.00 1.07 0.00 0.00 42.92 42.04 1wyn s ASP 37 CO 0.78 -0.56 1.34 0.15 1.18 0.00 0.00 175.17 178.07 1wyn h PHE 38 N 7.82 -1.08 -0.98 4.23 3.57 -1.92 0.25 116.94 128.83 1wyn h PHE 38 Ca -0.07 0.05 0.30 0.00 3.53 0.00 0.00 57.97 61.78 1wyn h PHE 38 Cb 1.02 0.51 -0.15 0.00 2.79 0.00 0.00 35.95 40.13 1wyn h PHE 38 CO 0.76 -0.31 0.50 0.37 -2.23 0.00 0.00 178.31 177.40 1wyn h GLN 39 N -0.24 0.31 0.02 1.11 -0.00 -1.97 -2.15 115.11 112.19 1wyn h GLN 39 Ca 0.05 -0.02 -0.00 0.00 -0.00 0.00 0.00 58.65 58.68 1wyn h GLN 39 Cb 0.37 -0.07 0.00 0.00 0.00 0.00 0.00 27.48 27.78 1wyn h GLN 39 CO -0.38 0.20 -0.01 0.87 0.00 0.00 0.00 178.83 179.51 1wyn h LYS 40 N 0.32 -0.02 -0.72 1.69 1.79 -1.24 0.94 116.57 119.32 1wyn h LYS 40 Ca 0.69 0.00 0.28 0.00 -2.18 0.00 0.00 60.65 59.44 1wyn h LYS 40 Cb 1.53 0.00 -0.11 0.00 -1.58 0.00 0.00 32.23 32.08 1wyn h LYS 40 CO -0.61 -0.01 0.42 0.41 -1.08 0.00 0.00 179.45 178.58 1wyn n GLY 41 N 0.12 -0.50 0.11 3.86 0.00 0.63 0.23 105.19 109.65 1wyn n GLY 41 Ca -0.00 0.51 -0.14 0.00 0.00 0.00 0.00 46.02 46.38 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 -4.27 1.63 -0.07 0.99 4.77 -0.85 -4.36 117.00 114.85 1wyn n LEU 42 Ca 0.25 0.27 -0.02 0.00 -0.03 0.00 0.00 56.01 56.48 1wyn n LEU 42 Cb 0.89 -0.38 -0.02 0.00 -2.33 0.00 0.00 43.42 41.58 1wyn n LEU 42 CO 0.04 0.61 0.34 1.17 -1.33 0.00 0.00 177.39 178.23 1wyn n LYS 43 N -3.21 -0.07 -0.34 3.23 4.81 0.64 0.19 118.16 123.42 1wyn n LYS 43 Ca -0.26 0.77 0.17 0.00 -0.87 0.00 0.00 58.31 58.12 1wyn n LYS 43 Cb 1.05 -1.14 0.40 0.00 0.02 0.00 0.00 35.03 35.36 1wyn n LYS 43 CO 0.00 0.00 0.00 -0.44 1.17 0.00 0.00 177.40 178.13 1wyn h ASP 44 N 0.00 0.65 -0.09 3.14 3.32 -1.77 -3.42 116.42 118.25 1wyn h ASP 44 Ca 0.03 0.10 0.00 0.00 0.02 0.00 0.00 57.03 57.18 1wyn h ASP 44 Cb 0.06 -0.01 0.00 0.00 0.22 0.00 0.00 39.33 39.61 1wyn h ASP 44 CO -0.15 0.17 0.00 0.61 -1.72 0.00 0.00 179.24 178.15 1wyn n GLY 45 N -1.37 1.10 0.10 2.75 0.00 0.51 -4.51 105.19 103.77 1wyn n GLY 45 Ca 0.25 -0.46 -0.16 0.00 0.00 0.00 0.00 46.02 45.65 1wyn n GLY 45 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 1wyn h THR 46 N 0.00 1.44 0.00 2.61 1.35 -1.76 -3.34 112.91 113.20 1wyn h THR 46 Ca 0.00 -3.03 -0.10 0.00 -0.55 0.00 0.00 66.41 62.73 1wyn h THR 46 Cb 0.53 2.91 -0.01 0.00 -1.73 0.00 0.00 68.15 69.85 1wyn h THR 46 CO 0.00 0.88 -0.94 -0.38 -0.25 0.00 0.00 175.52 174.83 1wyn n ILE 47 N -3.51 1.47 -0.28 6.82 5.41 -1.26 -4.13 119.36 123.88 1wyn n ILE 47 Ca -0.10 0.09 0.25 0.00 1.00 0.00 0.00 62.75 64.00 1wyn n ILE 47 Cb 1.03 -2.25 0.44 0.00 -0.71 0.00 0.00 39.64 38.14 1wyn n ILE 47 CO 0.00 0.00 0.00 0.18 0.00 0.00 0.00 176.55 176.73 1wyn n LEU 48 N -4.52 0.17 0.32 1.39 4.77 -1.26 0.72 117.00 118.59 1wyn n LEU 48 Ca -0.19 0.99 -0.13 0.00 -0.03 0.00 0.00 56.01 56.65 1wyn n LEU 48 Cb 0.46 -0.48 -0.06 0.00 -2.33 0.00 0.00 43.42 41.00 1wyn n LEU 48 CO 0.14 -1.09 0.37 0.00 -1.33 0.00 0.00 177.39 175.48 1wyn h THR 50 N -1.14 0.44 -0.90 0.00 1.35 0.14 -0.58 112.91 112.22 1wyn h THR 50 Ca -0.09 -0.02 0.21 0.00 -0.55 0.00 0.00 66.41 65.96 1wyn h THR 50 Cb 0.66 0.38 -0.17 0.00 -1.73 0.00 0.00 68.15 67.29 1wyn h THR 50 CO 0.14 0.01 -0.09 0.25 -0.25 0.00 0.00 175.52 175.58 1wyn h LEU 51 N 0.06 -0.61 0.45 3.87 5.85 -1.34 0.08 115.31 123.66 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 0.50 0.49 0.00 0.00 0.37 0.00 0.00 40.66 42.02 1wyn h LEU 51 CO -0.58 -0.29 -0.21 -0.03 -0.34 0.00 0.00 178.44 176.99 1wyn h MET 52 N 0.03 -0.58 -1.10 1.25 4.05 -1.10 -2.87 114.93 114.62 1wyn h MET 52 Ca 0.48 0.04 0.35 0.00 -0.28 0.00 0.00 59.70 60.29 1wyn h MET 52 Cb 0.86 0.13 -0.14 0.00 -0.80 0.00 0.00 31.60 31.65 1wyn h MET 52 CO -0.87 -0.31 0.66 -0.91 0.23 0.00 0.00 176.91 175.72 1wyn h ASN 53 N -0.76 0.42 -0.63 1.39 2.35 -0.65 0.69 115.58 118.39 1wyn h ASN 53 Ca -0.06 0.16 -0.00 0.00 -0.55 0.00 0.00 56.30 55.85 1wyn h ASN 53 Cb 0.54 0.12 -0.03 0.00 0.05 0.00 0.00 38.32 39.00 1wyn h ASN 53 CO 0.10 -0.13 0.38 0.11 -1.65 0.00 0.00 177.43 176.24 1wyn h LYS 54 N 0.25 0.86 -0.00 0.81 1.79 -0.97 -3.15 116.57 116.16 1wyn h LYS 54 Ca 0.74 -0.08 -0.03 0.00 -2.18 0.00 0.00 60.65 59.10 1wyn h LYS 54 Cb 1.92 -0.18 0.00 0.00 -1.58 0.00 0.00 32.23 32.40 1wyn h LYS 54 CO -0.51 0.62 -0.11 -0.07 -1.08 0.00 0.00 179.45 178.30 1wyn h LEU 55 N 0.86 0.10 -8.54 2.94 3.38 0.28 -3.44 115.31 110.88 1wyn h LEU 55 Ca 0.23 -0.79 -0.66 0.00 0.09 0.00 0.00 57.88 56.75 1wyn h LEU 55 Cb -0.01 -0.03 -0.27 0.00 0.09 0.00 0.00 40.66 40.43 1wyn h LEU 55 CO -0.04 0.87 -0.76 -1.58 0.09 0.00 0.00 178.44 177.03 1wyn s GLN 56 N -3.07 3.38 0.00 1.13 0.74 0.78 -4.98 119.66 117.63 1wyn s GLN 56 Ca -0.17 -0.67 0.16 0.00 0.05 0.00 0.00 55.36 54.73 1wyn s GLN 56 Cb -0.00 -2.73 0.93 0.00 1.10 0.00 0.00 33.01 32.30 1wyn s GLN 56 CO 0.71 0.10 1.35 -0.35 -0.55 0.00 0.00 175.29 176.54 1wyn n PRO 57 N 3.88 0.48 -2.89 1.67 -0.04 -1.25 -3.61 135.00 133.25 1wyn n PRO 57 Ca -0.18 0.00 -0.12 0.00 -0.04 0.00 0.00 63.50 63.16 1wyn n PRO 57 Cb 0.52 -1.50 0.05 0.00 -0.04 0.00 0.00 33.50 32.53 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 1.55 0.29 0.55 0.00 -1.26 -4.98 105.19 101.31 1wyn n GLY 58 Ca 0.12 -0.54 -0.13 0.00 0.00 0.00 0.00 46.02 45.47 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 0.47 1.71 -4.38 1.61 3.41 -1.24 -5.00 113.62 110.20 1wyn n SER 59 Ca 0.12 0.29 -0.33 0.00 -0.26 0.00 0.00 58.87 58.69 1wyn n SER 59 Cb 0.68 -0.66 -0.14 0.00 -0.26 0.00 0.00 64.21 63.82 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 -2.63 2.94 -0.02 -3.33 1.01 -1.26 -4.69 120.40 112.42 1wyn s VAL 60 Ca -0.26 -0.72 -0.25 0.00 0.00 0.00 0.00 61.98 60.75 1wyn s VAL 60 Cb 0.06 -2.20 -0.19 0.00 0.00 0.00 0.00 36.38 34.05 1wyn s VAL 60 CO 0.36 0.55 1.19 1.55 0.00 0.00 0.00 175.10 178.75 1wyn h PRO 61 N 6.33 -0.10 -3.76 2.72 0.13 -1.95 -3.48 132.00 131.89 1wyn h PRO 61 Ca -0.31 0.01 -0.09 0.00 -0.87 0.00 0.00 66.00 64.74 1wyn h PRO 61 Cb 1.20 0.02 -0.09 0.00 0.13 0.00 0.00 31.00 32.26 1wyn h PRO 61 CO 0.53 0.36 -0.16 0.21 -0.23 0.00 0.00 178.00 178.71 1wyn s LYS 62 N -4.17 1.56 -0.06 0.86 2.20 -1.26 -5.17 119.74 113.70 1wyn s LYS 62 Ca -0.15 -1.33 0.02 0.00 -0.36 0.00 0.00 55.97 54.15 1wyn s LYS 62 Cb 0.01 0.45 0.01 0.00 -1.51 0.00 0.00 37.83 36.80 1wyn s LYS 62 CO 0.62 -0.64 -0.12 0.42 -0.36 0.00 0.00 175.35 175.27 1wyn s ILE 63 N -3.92 1.08 -0.28 5.43 1.01 -1.26 -4.98 121.20 118.29 1wyn s ILE 63 Ca 0.24 -0.46 -0.29 0.00 0.00 0.00 0.00 60.65 60.14 1wyn s ILE 63 Cb -0.00 -0.99 0.00 0.00 0.01 0.00 0.00 42.46 41.49 1wyn s ILE 63 CO 0.10 0.34 1.20 0.20 0.00 0.00 0.00 174.94 176.78 1wyn s ASN 64 N 0.58 6.84 -0.63 3.58 0.01 -1.26 -4.92 114.94 119.14 1wyn s ASN 64 Ca -0.12 1.24 -0.00 0.00 -0.71 0.00 0.00 52.86 53.27 1wyn s ASN 64 Cb -0.15 -2.54 0.43 0.00 0.41 0.00 0.00 41.25 39.40 1wyn s ASN 64 CO 0.03 -0.93 1.83 0.54 -1.51 0.00 0.00 177.10 177.07 1wyn n ARG 65 N 6.97 2.91 -4.10 -0.60 5.12 -1.26 -4.82 116.66 120.88 1wyn n ARG 65 Ca 0.13 -3.57 -0.25 0.00 -1.93 0.00 0.00 57.85 52.24 1wyn n ARG 65 Cb 0.46 -2.28 -0.07 0.00 -1.16 0.00 0.00 32.46 29.42 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 -2.07 4.47 -0.63 0.55 0.01 -1.26 -5.04 113.70 109.72 1wyn s SER 66 Ca 0.59 -1.08 -0.00 0.00 1.31 0.00 0.00 55.95 56.76 1wyn s SER 66 Cb 0.47 -0.42 0.43 0.00 0.21 0.00 0.00 66.02 66.71 1wyn s SER 66 CO -0.11 -0.58 1.86 0.80 0.41 0.00 0.00 173.24 175.62 1wyn n MET 67 N -1.28 2.88 -4.05 12.44 1.56 -1.26 -4.78 117.12 122.63 1wyn n MET 67 Ca -0.01 -3.53 -0.22 0.00 -0.27 0.00 0.00 57.70 53.67 1wyn n MET 67 Cb 0.64 -2.28 -0.06 0.00 2.15 0.00 0.00 33.22 33.68 1wyn n MET 67 CO 0.00 0.00 0.00 -0.65 -0.73 0.00 0.00 175.97 174.59 1wyn s GLN 68 N -3.83 2.49 -0.08 2.12 -1.52 -1.26 -5.06 119.66 112.53 1wyn s GLN 68 Ca 0.60 -1.43 -0.03 0.00 -1.95 0.00 0.00 55.36 52.55 1wyn s GLN 68 Cb 0.48 -2.28 -0.01 0.00 -0.22 0.00 0.00 33.01 30.97 1wyn s GLN 68 CO -0.09 0.16 0.11 -0.91 -0.25 0.00 0.00 175.29 174.31 1wyn h ASN 69 N 1.51 -0.08 -0.69 5.90 2.35 -1.98 -2.46 115.58 120.12 1wyn h ASN 69 Ca -0.44 0.00 0.15 0.00 -0.55 0.00 0.00 56.30 55.45 1wyn h ASN 69 Cb 1.25 0.02 -0.10 0.00 0.05 0.00 0.00 38.32 39.54 1wyn h ASN 69 CO 0.62 0.37 0.15 4.11 -1.65 0.00 0.00 177.43 181.02 1wyn h TRP 70 N -0.95 0.22 -0.16 1.19 0.09 -1.99 0.10 115.95 114.46 1wyn h TRP 70 Ca -0.01 0.04 -0.01 0.00 0.09 0.00 0.00 58.89 59.00 1wyn h TRP 70 Cb 0.07 0.01 -0.01 0.00 0.08 0.00 0.00 29.16 29.31 1wyn h TRP 70 CO 0.00 -0.08 0.06 0.45 0.09 0.00 0.00 178.44 178.96 1wyn h HIS 71 N 0.25 0.24 -0.90 0.12 3.86 -1.97 -2.45 115.15 114.30 1wyn h HIS 71 Ca 0.38 -0.02 0.06 0.00 -1.16 0.00 0.00 60.37 59.64 1wyn h HIS 71 Cb 0.63 -0.07 -0.06 0.00 1.06 0.00 0.00 27.41 28.97 1wyn h HIS 71 CO -0.27 0.31 0.56 1.96 0.86 0.00 0.00 177.93 181.35 1wyn h GLN 72 N 0.10 1.00 0.31 2.45 4.20 -0.73 -2.67 115.11 119.77 1wyn h GLN 72 Ca 0.05 -0.06 -0.01 0.00 0.06 0.00 0.00 58.65 58.69 1wyn h GLN 72 Cb 0.17 -0.22 -0.00 0.00 0.30 0.00 0.00 27.48 27.73 1wyn h GLN 72 CO -0.00 0.66 -0.19 -0.07 -0.67 0.00 0.00 178.83 178.55 1wyn h LEU 73 N 1.03 -0.48 -0.87 1.46 -0.00 -0.64 -2.84 115.31 112.96 1wyn h LEU 73 Ca 0.39 0.03 0.18 0.00 -0.00 0.00 0.00 57.88 58.48 1wyn h LEU 73 Cb 0.17 0.14 -0.16 0.00 -0.00 0.00 0.00 40.66 40.81 1wyn h LEU 73 CO -0.17 -0.31 -0.17 -0.08 -0.00 0.00 0.00 178.44 177.71 1wyn h GLU 74 N -0.49 0.01 -0.98 1.13 4.81 -1.09 0.44 114.58 118.41 1wyn h GLU 74 Ca -0.03 -0.00 0.34 0.00 -0.13 0.00 0.00 59.36 59.54 1wyn h GLU 74 Cb 0.40 -0.00 -0.17 0.00 0.63 0.00 0.00 28.75 29.61 1wyn h GLU 74 CO 0.03 0.01 0.37 -0.91 -0.73 0.00 0.00 179.01 177.78 1wyn h ASN 75 N 0.01 0.10 0.11 1.04 2.35 -1.38 0.32 115.58 118.14 1wyn h ASN 75 Ca 0.43 0.25 -0.15 0.00 -0.55 0.00 0.00 56.30 56.28 1wyn h ASN 75 Cb 0.70 0.30 0.02 0.00 0.05 0.00 0.00 38.32 39.39 1wyn h ASN 75 CO -0.87 -0.33 -0.68 -0.07 -1.65 0.00 0.00 177.43 173.83 1wyn h LEU 76 N 0.09 0.36 -0.79 1.61 3.38 -0.25 -2.69 115.31 117.02 1wyn h LEU 76 Ca 0.73 -0.95 0.15 0.00 0.09 0.00 0.00 57.88 57.89 1wyn h LEU 76 Cb 1.73 -0.12 -0.10 0.00 0.09 0.00 0.00 40.66 42.27 1wyn h LEU 76 CO -0.77 1.33 0.35 -1.28 0.09 0.00 0.00 178.44 178.16 1wyn h SER 77 N -0.51 0.36 0.07 -0.43 0.87 0.48 0.47 113.55 114.87 1wyn h SER 77 Ca -0.12 0.10 -0.21 0.00 -1.23 0.00 0.00 61.79 60.33 1wyn h SER 77 Cb 1.51 0.06 0.00 0.00 -0.44 0.00 0.00 62.40 63.54 1wyn h SER 77 CO 0.11 0.14 -0.78 -0.55 -0.53 0.00 0.00 176.83 175.22 1wyn h ASN 78 N 0.50 0.71 -0.13 6.23 7.08 -0.63 -2.90 115.58 126.45 1wyn h ASN 78 Ca 0.43 -0.48 -0.09 0.00 -3.08 0.00 0.00 56.30 53.09 1wyn h ASN 78 Cb 0.65 -0.21 -0.02 0.00 -2.08 0.00 0.00 38.32 36.66 1wyn h ASN 78 CO -0.39 1.25 -0.18 0.15 -2.08 0.00 0.00 177.43 176.17 1wyn h PHE 79 N 0.40 0.58 0.22 4.14 3.57 -0.79 -2.72 116.94 122.34 1wyn h PHE 79 Ca -0.05 -0.11 -0.01 0.00 3.53 0.00 0.00 57.97 61.33 1wyn h PHE 79 Cb 1.38 -0.15 0.00 0.00 2.79 0.00 0.00 35.95 39.98 1wyn h PHE 79 CO 0.07 0.68 -0.11 0.82 -2.23 0.00 0.00 178.31 177.54 1wyn h ILE 80 N 0.48 0.86 -0.78 1.41 2.04 -0.12 -3.01 117.51 118.39 1wyn h ILE 80 Ca 0.08 -0.63 0.17 0.00 1.00 0.00 0.00 64.86 65.48 1wyn h ILE 80 Cb 0.59 1.21 -0.05 0.00 -0.74 0.00 0.00 36.82 37.83 1wyn h ILE 80 CO 0.04 0.14 0.52 0.11 0.00 0.00 0.00 178.15 178.96 1wyn h LYS 81 N -0.62 0.37 0.07 2.37 1.79 -1.48 -1.75 116.57 117.31 1wyn h LYS 81 Ca -0.03 -0.02 0.01 0.00 -2.18 0.00 0.00 60.65 58.43 1wyn h LYS 81 Cb 0.45 -0.08 -0.02 0.00 -1.58 0.00 0.00 32.23 30.99 1wyn h LYS 81 CO 0.05 0.24 -0.15 0.00 -1.08 0.00 0.00 179.45 178.52 1wyn h ALA 82 N 1.64 -0.23 -0.49 3.86 0.00 -1.35 -2.78 119.26 119.91 1wyn h ALA 82 Ca 0.39 -0.02 0.10 0.00 0.00 0.00 0.00 54.91 55.38 1wyn h ALA 82 Cb 0.96 0.23 -0.10 0.00 0.00 0.00 0.00 17.79 18.88 1wyn h ALA 82 CO -0.12 -0.66 -0.23 0.52 0.00 0.00 0.00 179.25 178.75 1wyn h MET 83 N -0.28 -0.12 -0.90 0.00 2.86 -1.26 0.97 114.93 116.20 1wyn h MET 83 Ca 0.03 0.01 0.21 0.00 -2.06 0.00 0.00 59.70 57.88 1wyn h MET 83 Cb 0.31 0.03 -0.12 0.00 0.06 0.00 0.00 31.60 31.87 1wyn h MET 83 CO -0.09 -0.08 0.42 0.28 1.06 0.00 0.00 176.91 178.49 1wyn h VAL 84 N -0.13 0.53 -0.23 -2.22 2.07 -1.46 0.04 116.25 114.85 1wyn h VAL 84 Ca 0.23 -0.16 -0.13 0.00 0.82 0.00 0.00 66.70 67.46 1wyn h VAL 84 Cb 0.48 0.03 -0.00 0.00 -1.52 0.00 0.00 31.29 30.28 1wyn h VAL 84 CO -0.57 0.08 -0.36 -1.28 0.02 0.00 0.00 177.57 175.46 1wyn h SER 85 N 0.46 0.72 -0.99 0.57 0.87 -0.70 -3.14 113.55 111.33 1wyn h SER 85 Ca 0.55 -0.52 0.17 0.00 -1.23 0.00 0.00 61.79 60.76 1wyn h SER 85 Cb 1.00 -0.21 -0.09 0.00 -0.44 0.00 0.00 62.40 62.66 1wyn h SER 85 CO -0.49 1.10 0.62 0.22 -0.53 0.00 0.00 176.83 177.74 1wyn h TYR 86 N 0.36 1.03 0.00 2.24 3.20 0.98 -3.45 116.97 121.33 1wyn h TYR 86 Ca 0.02 0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.92 1wyn h TYR 86 Cb 0.95 -0.32 0.00 0.00 1.54 0.00 0.00 36.73 38.91 1wyn h TYR 86 CO 0.08 0.29 0.00 0.41 -1.64 0.00 0.00 178.16 177.30 1wyn n GLY 87 N -1.36 1.11 3.95 1.82 0.00 -0.70 -5.10 105.19 104.91 1wyn n GLY 87 Ca 0.21 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 46.00 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 2.84 0.49 1.61 -1.94 -1.06 -5.05 119.30 116.20 1wyn s MET 88 Ca 0.00 -0.50 -0.09 0.00 -1.71 0.00 0.00 55.69 53.40 1wyn s MET 88 Cb 0.00 -2.48 -0.05 0.00 2.01 0.00 0.00 34.83 34.31 1wyn s MET 88 CO 0.00 -0.51 0.85 -0.80 -0.01 0.00 0.00 175.02 174.55 1wyn s ASN 89 N -4.31 6.35 0.00 3.03 -0.87 -1.26 -4.76 114.94 113.12 1wyn s ASN 89 Ca 0.52 1.14 0.15 0.00 -1.57 0.00 0.00 52.86 53.10 1wyn s ASN 89 Cb -0.10 -2.34 0.73 0.00 -0.02 0.00 0.00 41.25 39.52 1wyn s ASN 89 CO 0.39 -0.59 1.42 -0.81 -2.57 0.00 0.00 177.10 174.94 1wyn n PRO 90 N -2.05 0.18 -0.00 -0.60 -0.04 -1.26 -2.21 135.00 129.01 1wyn n PRO 90 Ca 0.03 0.16 0.07 0.00 -0.04 0.00 0.00 63.50 63.72 1wyn n PRO 90 Cb 0.54 -1.50 -0.10 0.00 -0.04 0.00 0.00 33.50 32.41 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 -1.32 0.00 -0.09 0.52 0.24 -1.26 -4.41 118.33 112.01 1wyn n VAL 91 Ca 0.06 -0.28 0.02 0.00 -2.04 0.00 0.00 64.34 62.10 1wyn n VAL 91 Cb 0.13 0.36 0.21 0.00 -1.47 0.00 0.00 33.84 33.07 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 -1.82 3.64 -4.85 -1.34 8.00 -0.94 -4.90 116.55 114.34 1wyn n ASP 92 Ca -0.01 -2.57 -0.27 0.00 0.71 0.00 0.00 54.79 52.64 1wyn n ASP 92 Cb 0.32 -0.62 -0.03 0.00 -0.02 0.00 0.00 41.12 40.77 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 -1.59 2.72 -0.02 0.64 1.43 -1.25 -3.98 118.68 116.63 1wyn s LEU 93 Ca 0.31 -1.28 -0.15 0.00 -1.03 0.00 0.00 54.13 51.99 1wyn s LEU 93 Cb 0.24 -1.18 0.02 0.00 0.03 0.00 0.00 46.19 45.30 1wyn s LEU 93 CO 0.09 -0.95 0.31 0.72 0.23 0.00 0.00 176.35 176.75 1wyn s PHE 94 N -2.75 -0.20 0.62 0.29 -0.71 -1.26 -4.76 117.98 109.20 1wyn s PHE 94 Ca 0.30 0.33 -0.10 0.00 -1.04 0.00 0.00 56.93 56.42 1wyn s PHE 94 Cb -0.01 0.10 0.15 0.00 -1.21 0.00 0.00 43.02 42.06 1wyn s PHE 94 CO 0.18 -0.37 0.53 0.39 -1.34 0.00 0.00 175.22 174.61 1wyn n GLU 95 N 1.42 -2.20 -0.04 1.99 -0.58 -1.26 -4.87 120.64 115.11 1wyn n GLU 95 Ca -0.21 -0.84 0.02 0.00 -0.42 0.00 0.00 57.16 55.71 1wyn n GLU 95 Cb 0.56 -0.82 -0.16 0.00 -0.57 0.00 0.00 31.44 30.45 1wyn n GLU 95 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1wyn n ALA 96 N -3.96 2.23 0.05 0.62 0.00 -1.26 -4.38 120.51 113.81 1wyn n ALA 96 Ca -0.10 -0.86 -0.14 0.00 0.00 0.00 0.00 53.44 52.35 1wyn n ALA 96 Cb 0.29 -0.53 -0.14 0.00 0.00 0.00 0.00 19.45 19.08 1wyn n ALA 96 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.50 176.59 1wyn h ASN 97 N 0.00 0.26 -0.83 0.00 2.35 -1.95 -3.07 115.58 112.33 1wyn h ASN 97 Ca -0.23 -0.35 0.21 0.00 -0.55 0.00 0.00 56.30 55.37 1wyn h ASN 97 Cb 1.54 -0.08 -0.14 0.00 0.05 0.00 0.00 38.32 39.68 1wyn h ASN 97 CO 0.01 1.29 0.06 -2.24 -1.65 0.00 0.00 177.43 174.90 1wyn h ASP 98 N 0.04 -0.30 0.00 5.81 3.04 -1.84 0.23 116.42 123.40 1wyn h ASP 98 Ca -0.19 0.21 -0.03 0.00 -3.24 0.00 0.00 57.03 53.78 1wyn h ASP 98 Cb 1.96 0.36 -0.00 0.00 -1.04 0.00 0.00 39.33 40.61 1wyn h ASP 98 CO 0.15 -0.21 -0.17 0.25 -2.04 0.00 0.00 179.24 177.22 1wyn h LEU 99 N 0.11 0.00 -0.12 0.15 5.85 -1.69 1.76 115.31 121.36 1wyn h LEU 99 Ca 0.48 -0.78 0.02 0.00 0.84 0.00 0.00 57.88 58.43 1wyn h LEU 99 Cb 0.91 0.00 -0.03 0.00 0.37 0.00 0.00 40.66 41.91 1wyn h LEU 99 CO -0.72 0.99 -0.23 0.15 -0.34 0.00 0.00 178.44 178.29 1wyn h PHE 100 N -1.00 -0.70 -0.75 1.25 3.57 -1.32 -1.45 116.94 116.54 1wyn h PHE 100 Ca -0.04 0.03 -0.43 0.00 3.53 0.00 0.00 57.97 61.05 1wyn h PHE 100 Cb 0.90 0.32 -0.23 0.00 2.79 0.00 0.00 35.95 39.73 1wyn h PHE 100 CO 0.21 -0.21 0.56 0.39 -2.23 0.00 0.00 178.31 177.02 1wyn n GLU 101 N -3.80 2.06 -2.25 1.11 1.02 0.76 -4.85 120.64 114.69 1wyn n GLU 101 Ca -0.02 -2.34 -0.01 0.00 -0.02 0.00 0.00 57.16 54.77 1wyn n GLU 101 Cb 0.15 -1.92 -0.00 0.00 -0.02 0.00 0.00 31.44 29.65 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 -0.60 -1.03 0.23 1.62 3.41 -0.55 -4.70 113.62 112.01 1wyn n SER 102 Ca 0.46 0.40 0.16 0.00 -0.26 0.00 0.00 58.87 59.63 1wyn n SER 102 Cb 1.12 -1.07 0.83 0.00 -0.26 0.00 0.00 64.21 64.82 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 0.25 -3.41 103.07 98.99 1wyn h GLY 103 Ca -0.02 0.00 0.24 0.00 0.00 0.00 0.00 47.33 47.56 1wyn h GLY 103 CO 0.02 0.00 0.26 0.21 0.00 0.00 0.00 176.54 177.03 1wyn s ASN 104 N -4.53 -0.32 -0.01 0.19 3.04 0.57 -4.83 114.94 109.04 1wyn s ASN 104 Ca -0.03 0.27 0.20 0.00 0.04 0.00 0.00 52.86 53.35 1wyn s ASN 104 Cb 0.09 1.30 -0.26 0.00 -1.54 0.00 0.00 41.25 40.84 1wyn s ASN 104 CO 0.30 -0.06 0.65 0.23 -3.04 0.00 0.00 177.10 175.18 1wyn n MET 105 N 5.23 0.56 0.03 0.43 2.81 -1.26 -3.96 117.12 120.96 1wyn n MET 105 Ca -0.08 -0.09 -0.19 0.00 -1.81 0.00 0.00 57.70 55.53 1wyn n MET 105 Cb 0.54 -1.45 -0.11 0.00 -0.71 0.00 0.00 33.22 31.48 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 0.00 1.37 -0.19 2.03 1.35 -1.96 -2.43 112.91 113.08 1wyn h THR 106 Ca 0.00 -2.22 -0.12 0.00 -0.55 0.00 0.00 66.41 63.52 1wyn h THR 106 Cb 0.68 2.60 -0.01 0.00 -1.73 0.00 0.00 68.15 69.69 1wyn h THR 106 CO 0.00 0.66 -0.40 -0.61 -0.25 0.00 0.00 175.52 174.92 1wyn h GLN 107 N 0.08 0.44 0.00 4.72 5.75 -1.92 -2.73 115.11 121.45 1wyn h GLN 107 Ca -0.11 -0.21 -0.10 0.00 -0.15 0.00 0.00 58.65 58.07 1wyn h GLN 107 Cb 1.54 -0.00 -0.01 0.00 1.07 0.00 0.00 27.48 30.08 1wyn h GLN 107 CO 0.17 0.77 -0.48 0.28 -2.65 0.00 0.00 178.83 176.91 1wyn h VAL 108 N 0.36 1.00 0.13 2.39 2.07 -1.71 -2.89 116.25 117.60 1wyn h VAL 108 Ca 0.03 -1.89 -0.01 0.00 0.82 0.00 0.00 66.70 65.65 1wyn h VAL 108 Cb 0.86 2.14 0.00 0.00 -1.52 0.00 0.00 31.29 32.77 1wyn h VAL 108 CO 0.07 0.47 -0.06 -0.61 0.02 0.00 0.00 177.57 177.46 1wyn h GLN 109 N 0.00 -0.17 -0.75 1.57 4.15 -1.19 -3.24 115.11 115.49 1wyn h GLN 109 Ca -0.00 0.01 0.04 0.00 0.77 0.00 0.00 58.65 59.46 1wyn h GLN 109 Cb 1.10 0.04 -0.05 0.00 0.21 0.00 0.00 27.48 28.78 1wyn h GLN 109 CO 0.06 0.28 0.47 -0.39 -1.93 0.00 0.00 178.83 177.32 1wyn h VAL 110 N -0.72 1.09 -0.80 2.39 -1.51 -1.56 -1.80 116.25 113.34 1wyn h VAL 110 Ca -0.02 -0.31 0.19 0.00 -1.23 0.00 0.00 66.70 65.33 1wyn h VAL 110 Cb 0.53 0.11 -0.13 0.00 -2.13 0.00 0.00 31.29 29.66 1wyn h VAL 110 CO 0.03 0.16 0.07 -1.28 -1.23 0.00 0.00 177.57 175.33 1wyn h SER 111 N 0.90 -0.25 -0.12 4.19 0.87 -1.56 0.50 113.55 118.08 1wyn h SER 111 Ca 0.31 0.20 -0.21 0.00 -1.23 0.00 0.00 61.79 60.86 1wyn h SER 111 Cb 0.05 0.32 0.01 0.00 -0.44 0.00 0.00 62.40 62.34 1wyn h SER 111 CO -0.12 -0.17 -0.73 -0.07 -0.53 0.00 0.00 176.83 175.20 1wyn h LEU 112 N 0.14 0.85 -1.74 2.23 3.38 -1.47 -0.50 115.31 118.20 1wyn h LEU 112 Ca 0.45 -0.65 -0.00 0.00 0.09 0.00 0.00 57.88 57.77 1wyn h LEU 112 Cb 0.84 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 41.32 1wyn h LEU 112 CO -0.67 1.37 0.11 -0.07 0.09 0.00 0.00 178.44 179.27 1wyn h LEU 113 N 0.40 0.25 0.05 1.67 3.38 -0.11 -0.47 115.31 120.48 1wyn h LEU 113 Ca -0.06 -0.01 -0.17 0.00 0.09 0.00 0.00 57.88 57.73 1wyn h LEU 113 Cb 1.37 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 42.05 1wyn h LEU 113 CO 0.15 0.21 -0.86 0.00 0.09 0.00 0.00 178.44 178.03 1wyn h ALA 114 N 1.84 0.12 -0.67 1.53 0.00 -0.08 -3.25 119.26 118.74 1wyn h ALA 114 Ca 0.07 -0.89 0.09 0.00 0.00 0.00 0.00 54.91 54.18 1wyn h ALA 114 Cb 0.02 0.36 -0.04 0.00 0.00 0.00 0.00 17.79 18.12 1wyn h ALA 114 CO -0.01 0.48 0.45 1.25 0.00 0.00 0.00 179.25 181.42 1wyn h LEU 115 N -0.72 0.50 0.50 0.00 5.85 -0.92 -2.60 115.31 117.93 1wyn h LEU 115 Ca -0.20 0.01 -0.02 0.00 0.84 0.00 0.00 57.88 58.50 1wyn h LEU 115 Cb 1.38 -0.10 0.00 0.00 0.37 0.00 0.00 40.66 42.32 1wyn h LEU 115 CO -0.02 0.31 -0.24 0.00 -0.34 0.00 0.00 178.44 178.14 1wyn h ALA 116 N 1.65 -0.67 -1.07 1.25 0.00 -1.21 -1.53 119.26 117.68 1wyn h ALA 116 Ca 0.31 -0.19 0.30 0.00 0.00 0.00 0.00 54.91 55.33 1wyn h ALA 116 Cb 0.46 0.26 -0.11 0.00 0.00 0.00 0.00 17.79 18.39 1wyn h ALA 116 CO -0.10 -0.76 0.67 0.78 0.00 0.00 0.00 179.25 179.84 1wyn h GLY 117 N -0.90 1.51 1.05 0.00 0.00 -1.50 0.19 103.07 103.42 1wyn h GLY 117 Ca -0.07 -0.22 -0.20 0.00 0.00 0.00 0.00 47.33 46.84 1wyn h GLY 117 CO 0.11 -0.26 -0.72 1.70 0.00 0.00 0.00 176.54 177.37 1wyn h LYS 118 N 0.37 0.66 -0.13 4.80 3.64 -1.39 -3.18 116.57 121.35 1wyn h LYS 118 Ca 0.66 -0.58 -0.01 0.00 -1.27 0.00 0.00 60.65 59.45 1wyn h LYS 118 Cb 1.65 0.13 -0.01 0.00 -0.41 0.00 0.00 32.23 33.60 1wyn h LYS 118 CO -0.40 1.19 0.02 0.00 -2.27 0.00 0.00 179.45 177.99 1wyn h ALA 119 N 0.48 1.80 -1.31 5.00 0.00 0.37 -2.51 119.26 123.08 1wyn h ALA 119 Ca -0.06 -0.06 0.41 0.00 0.00 0.00 0.00 54.91 55.19 1wyn h ALA 119 Cb 1.37 -0.06 -0.11 0.00 0.00 0.00 0.00 17.79 18.98 1wyn h ALA 119 CO 0.15 0.16 0.87 0.87 0.00 0.00 0.00 179.25 181.29 1wyn h LYS 120 N 0.18 0.12 -1.69 0.00 1.57 -1.07 0.15 116.57 115.83 1wyn h LYS 120 Ca 0.05 -0.01 0.49 0.00 -1.87 0.00 0.00 60.65 59.31 1wyn h LYS 120 Cb 0.09 -0.03 -0.07 0.00 0.08 0.00 0.00 32.23 32.30 1wyn h LYS 120 CO -0.00 0.08 1.33 -2.37 -0.57 0.00 0.00 179.45 177.93 1wyn n THR 121 N -4.58 0.00 -0.26 -0.16 5.66 -0.95 0.43 114.28 114.43 1wyn n THR 121 Ca 0.35 1.39 0.06 0.00 -3.05 0.00 0.00 64.05 62.80 1wyn n THR 121 Cb 1.36 -2.35 0.19 0.00 -1.55 0.00 0.00 70.33 67.99 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 0.27 -2.05 1.09 6.56 -0.95 -3.18 116.57 118.31 1wyn h LYS 122 Ca 0.80 -0.02 -0.51 0.00 -1.06 0.00 0.00 60.65 59.87 1wyn h LYS 122 Cb 3.47 -0.06 -0.40 0.00 -0.57 0.00 0.00 32.23 34.66 1wyn h LYS 122 CO -0.01 0.18 -1.09 0.41 -2.06 0.00 0.00 179.45 176.88 1wyn n GLY 123 N -1.35 3.86 2.40 3.86 0.00 0.17 -5.11 105.19 109.02 1wyn n GLY 123 Ca 0.15 -1.87 -0.40 0.00 0.00 0.00 0.00 46.02 43.90 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 0.34 -0.05 -3.93 0.99 4.32 -1.19 -4.93 117.00 112.56 1wyn n LEU 124 Ca 0.26 0.80 -0.27 0.00 -0.02 0.00 0.00 56.01 56.77 1wyn n LEU 124 Cb 0.60 -0.63 -0.17 0.00 -1.62 0.00 0.00 43.42 41.60 1wyn n LEU 124 CO 0.23 -1.35 -0.45 -1.10 -1.22 0.00 0.00 177.39 173.51 1wyn s GLN 125 N -0.03 1.65 0.36 3.23 -0.21 -1.26 -5.10 119.66 118.29 1wyn s GLN 125 Ca 0.62 -0.30 0.06 0.00 0.02 0.00 0.00 55.36 55.75 1wyn s GLN 125 Cb -0.86 -1.66 -0.07 0.00 1.00 0.00 0.00 33.01 31.42 1wyn s GLN 125 CO 0.39 -0.25 0.02 -1.12 -2.12 0.00 0.00 175.29 172.21 1wyn s SER 126 N 1.64 3.19 0.00 5.90 0.01 -1.26 -5.02 113.70 118.15 1wyn s SER 126 Ca 0.04 -1.35 0.00 0.00 1.31 0.00 0.00 55.95 55.95 1wyn s SER 126 Cb -0.13 -0.25 0.00 0.00 0.21 0.00 0.00 66.02 65.85 1wyn s SER 126 CO -0.08 -0.49 0.00 0.61 0.41 0.00 0.00 173.24 173.69 1wyn n GLY 127 N -0.82 -1.51 3.38 3.44 0.00 -1.26 -5.14 105.19 103.28 1wyn n GLY 127 Ca -0.04 0.55 -0.30 0.00 0.00 0.00 0.00 46.02 46.23 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 0.00 2.35 -0.19 1.61 0.11 -1.26 -5.13 120.40 117.89 1wyn s VAL 128 Ca 0.00 -1.38 -0.34 0.00 -2.93 0.00 0.00 61.98 57.34 1wyn s VAL 128 Cb 0.00 -1.95 0.14 0.00 -1.53 0.00 0.00 36.38 33.04 1wyn s VAL 128 CO 0.00 0.32 1.20 1.51 -3.33 0.00 0.00 175.10 174.80 1wyn s ASP 129 N -1.40 -0.15 -0.16 3.54 1.47 -1.26 -5.08 116.67 113.63 1wyn s ASP 129 Ca 0.13 0.05 -0.13 0.00 1.18 0.00 0.00 52.55 53.78 1wyn s ASP 129 Cb -0.10 0.15 -0.08 0.00 -0.34 0.00 0.00 42.92 42.55 1wyn s ASP 129 CO 0.03 -0.23 -0.02 0.40 0.68 0.00 0.00 175.17 176.03 1wyn h ILE 130 N 2.06 0.32 0.00 2.11 5.03 -2.09 -3.49 117.51 121.45 1wyn h ILE 130 Ca -0.10 -1.40 0.00 0.00 -0.12 0.00 0.00 64.86 63.24 1wyn h ILE 130 Cb 1.17 0.76 0.00 0.00 -3.03 0.00 0.00 36.82 35.73 1wyn h ILE 130 CO 0.24 0.11 0.00 0.61 -0.68 0.00 0.00 178.15 178.43 1wyn n GLY 131 N 1.57 -0.52 3.33 5.37 0.00 -1.26 -5.13 105.19 108.54 1wyn n GLY 131 Ca -0.15 0.50 -0.38 0.00 0.00 0.00 0.00 46.02 45.99 1wyn n GLY 131 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1wyn s VAL 132 N 0.00 4.08 -0.29 1.61 -7.23 -1.26 -5.04 120.40 112.27 1wyn s VAL 132 Ca 0.00 -0.92 -0.24 0.00 -1.81 0.00 0.00 61.98 59.01 1wyn s VAL 132 Cb 0.00 -3.24 0.17 0.00 0.56 0.00 0.00 36.38 33.87 1wyn s VAL 132 CO 0.00 -0.12 1.29 -1.59 -0.31 0.00 0.00 175.10 174.36 1wyn s LYS 133 N 1.48 0.20 -0.13 4.82 -2.85 -1.26 -4.85 119.74 117.16 1wyn s LYS 133 Ca 0.01 0.26 -0.07 0.00 -1.00 0.00 0.00 55.97 55.17 1wyn s LYS 133 Cb -0.19 0.09 -0.04 0.00 -2.06 0.00 0.00 37.83 35.64 1wyn s LYS 133 CO 0.04 -0.03 0.12 0.71 0.10 0.00 0.00 175.35 176.29 1wyn s TYR 134 N 0.24 3.50 0.12 1.78 2.02 -1.26 -5.11 117.35 118.64 1wyn s TYR 134 Ca 0.04 0.44 0.09 0.00 -0.37 0.00 0.00 57.07 57.27 1wyn s TYR 134 Cb -0.05 -1.95 -0.04 0.00 -0.40 0.00 0.00 41.96 39.53 1wyn s TYR 134 CO -0.12 0.62 -0.23 -1.12 -1.57 0.00 0.00 175.55 173.13 1wyn s SER 135 N -0.79 2.86 0.42 2.29 0.01 -1.26 -5.15 113.70 112.09 1wyn s SER 135 Ca 0.13 -0.72 0.01 0.00 1.31 0.00 0.00 55.95 56.68 1wyn s SER 135 Cb -0.12 -0.17 -0.01 0.00 0.21 0.00 0.00 66.02 65.93 1wyn s SER 135 CO 0.03 0.10 0.64 -1.83 0.41 0.00 0.00 173.24 172.59 1wyn s GLU 136 N -2.01 3.17 -0.08 12.44 -1.05 -1.26 -5.12 118.70 124.79 1wyn s GLU 136 Ca 0.10 -0.46 -0.08 0.00 -0.15 0.00 0.00 54.97 54.38 1wyn s GLU 136 Cb -0.10 -2.59 0.02 0.00 -0.44 0.00 0.00 34.13 31.02 1wyn s GLU 136 CO 0.05 -0.16 0.23 0.15 0.95 0.00 0.00 175.26 176.48 1wyn s LYS 137 N -4.49 0.28 -0.06 -4.83 -0.14 -1.26 -5.04 119.74 104.20 1wyn s LYS 137 Ca 0.46 0.29 0.10 0.00 -1.36 0.00 0.00 55.97 55.47 1wyn s LYS 137 Cb -0.10 0.14 0.18 0.00 -1.68 0.00 0.00 37.83 36.37 1wyn s LYS 137 CO 0.37 -0.04 1.09 0.00 -0.76 0.00 0.00 175.35 176.01 1wyn n GLN 138 N 2.89 0.58 -0.20 1.68 -0.00 -1.26 -4.91 117.38 116.15 1wyn n GLN 138 Ca -0.13 -1.84 -0.05 0.00 -0.00 0.00 0.00 57.00 54.99 1wyn n GLN 138 Cb 0.58 -0.89 -0.04 0.00 -0.00 0.00 0.00 30.24 29.90 1wyn n GLN 138 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.06 175.15 1wyn n GLU 139 N -0.55 -0.20 -1.68 2.61 4.07 -1.26 -4.17 120.64 119.47 1wyn n GLU 139 Ca 0.08 0.75 -0.47 0.00 -0.06 0.00 0.00 57.16 57.46 1wyn n GLU 139 Cb 0.72 -1.10 -0.04 0.00 -0.06 0.00 0.00 31.44 30.96 1wyn n GLU 139 CO 0.00 0.00 0.00 0.54 -0.06 0.00 0.00 177.13 177.61 1wyn n ARG 140 N -4.64 2.20 -0.03 5.31 1.74 -1.26 -4.89 116.66 115.08 1wyn n ARG 140 Ca 0.02 0.80 -0.15 0.00 -0.77 0.00 0.00 57.85 57.75 1wyn n ARG 140 Cb 0.14 -2.61 -0.09 0.00 -1.02 0.00 0.00 32.46 28.88 1wyn n ARG 140 CO 0.00 0.00 0.00 0.77 -1.52 0.00 0.00 177.63 176.88 1wyn h SER 141 N 7.58 0.39 0.00 0.55 0.02 -2.04 -3.50 113.55 116.56 1wyn h SER 141 Ca -0.47 -0.63 0.00 0.00 -0.84 0.00 0.00 61.79 59.85 1wyn h SER 141 Cb 1.26 -0.12 0.00 0.00 0.14 0.00 0.00 62.40 63.68 1wyn h SER 141 CO 0.92 0.96 0.00 0.61 -1.14 0.00 0.00 176.83 178.18 1wyn n GLY 142 N 0.64 3.98 0.00 -3.77 0.00 -1.26 -4.89 105.19 99.89 1wyn n GLY 142 Ca -0.08 -1.25 0.06 0.00 0.00 0.00 0.00 46.02 44.76 1wyn n GLY 142 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1wyn n PRO 143 N -0.13 0.49 -3.09 1.61 -0.04 -1.26 -4.48 135.00 128.09 1wyn n PRO 143 Ca 0.00 0.00 -0.45 0.00 -0.04 0.00 0.00 63.50 63.01 1wyn n PRO 143 Cb 0.00 -1.41 -0.03 0.00 -0.04 0.00 0.00 33.50 32.02 1wyn n PRO 143 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1wyn s SER 144 N -1.91 6.47 -0.58 3.54 0.15 -1.26 -4.89 113.70 115.22 1wyn s SER 144 Ca 0.19 -1.93 -0.02 0.00 0.70 0.00 0.00 55.95 54.90 1wyn s SER 144 Cb 0.09 -2.32 0.34 0.00 -1.71 0.00 0.00 66.02 62.42 1wyn s SER 144 CO 0.15 -0.98 2.09 -1.20 1.20 0.00 0.00 173.24 174.50 1wyn n SER 145 N 5.88 7.26 0.00 5.45 7.64 -1.26 -5.19 113.62 133.40 1wyn n SER 145 Ca 0.07 -3.55 0.00 0.00 1.01 0.00 0.00 58.87 56.40 1wyn n SER 145 Cb 0.46 -1.03 0.00 0.00 -1.01 0.00 0.00 64.21 62.63 1wyn n SER 145 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64