#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 6.19 -0.17 1.61 0.15 -1.26 -4.96 113.70 115.25 1wyn s SER 2 Ca 0.00 2.46 0.00 0.00 0.70 0.00 0.00 55.95 59.11 1wyn s SER 2 Cb 0.00 -2.53 0.03 0.00 -1.71 0.00 0.00 66.02 61.82 1wyn s SER 2 CO 0.00 -1.29 -0.11 -0.94 1.20 0.00 0.00 173.24 172.10 1wyn s SER 3 N 5.44 3.00 0.00 5.45 1.04 -1.26 -4.98 113.70 122.40 1wyn s SER 3 Ca 0.91 -0.69 0.00 0.00 0.48 0.00 0.00 55.95 56.66 1wyn s SER 3 Cb -0.40 -1.14 0.00 0.00 0.10 0.00 0.00 66.02 64.58 1wyn s SER 3 CO 0.40 -0.12 0.00 0.61 0.98 0.00 0.00 173.24 175.11 1wyn n GLY 4 N 4.76 0.20 3.36 7.32 0.00 -1.26 -5.08 105.19 114.48 1wyn n GLY 4 Ca -0.15 0.10 -0.45 0.00 0.00 0.00 0.00 46.02 45.52 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 0.00 7.18 -0.21 1.61 0.01 -1.26 -5.01 113.70 116.02 1wyn s SER 5 Ca 0.00 -3.33 -0.31 0.00 1.31 0.00 0.00 55.95 53.62 1wyn s SER 5 Cb 0.00 -2.24 -0.08 0.00 0.21 0.00 0.00 66.02 63.92 1wyn s SER 5 CO 0.00 -0.41 2.16 -1.54 0.41 0.00 0.00 173.24 173.86 1wyn n SER 6 N 3.37 3.11 -4.69 2.44 3.41 -1.26 -4.93 113.62 115.06 1wyn n SER 6 Ca 0.24 0.39 -0.40 0.00 -0.26 0.00 0.00 58.87 58.84 1wyn n SER 6 Cb 0.41 -1.47 -0.05 0.00 -0.26 0.00 0.00 64.21 62.84 1wyn n SER 6 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 1wyn s GLY 7 N 7.33 2.34 -0.18 5.00 0.00 -1.26 -4.96 107.32 115.59 1wyn s GLY 7 Ca 1.01 -0.04 -0.17 0.00 0.00 0.00 0.00 44.72 45.52 1wyn s GLY 7 CO 0.41 1.26 -0.33 0.70 0.00 0.00 0.00 173.10 175.13 1wyn n ASN 8 N 4.38 1.93 -3.96 1.64 4.13 -1.26 -4.97 115.26 117.15 1wyn n ASN 8 Ca -0.01 0.36 -0.28 0.00 1.68 0.00 0.00 54.58 56.34 1wyn n ASN 8 Cb 0.50 -0.76 -0.17 0.00 -1.54 0.00 0.00 39.78 37.82 1wyn n ASN 8 CO 0.00 0.00 0.00 -0.13 0.28 0.00 0.00 177.26 177.41 1wyn s ARG 9 N -2.82 1.85 -1.52 3.52 1.81 -1.26 -5.04 118.95 115.49 1wyn s ARG 9 Ca -0.28 -0.39 -0.10 0.00 -1.72 0.00 0.00 55.73 53.24 1wyn s ARG 9 Cb 0.04 -1.77 -0.01 0.00 -0.45 0.00 0.00 34.95 32.75 1wyn s ARG 9 CO 0.41 -0.23 2.65 1.47 -0.68 0.00 0.00 175.30 178.93 1wyn n LEU 10 N 4.77 8.14 -4.09 2.53 -0.00 -1.26 -4.85 117.00 122.24 1wyn n LEU 10 Ca -0.15 -4.42 -0.12 0.00 -0.00 0.00 0.00 56.01 51.32 1wyn n LEU 10 Cb 0.50 -1.54 -0.06 0.00 -0.00 0.00 0.00 43.42 42.32 1wyn n LEU 10 CO 0.19 1.83 0.04 -0.76 -0.00 0.00 0.00 177.39 178.70 1wyn s LEU 11 N 0.21 0.82 0.70 1.47 1.43 -1.26 -5.15 118.68 116.90 1wyn s LEU 11 Ca 0.61 -1.27 -0.17 0.00 -1.03 0.00 0.00 54.13 52.28 1wyn s LEU 11 Cb 0.17 1.25 0.02 0.00 0.03 0.00 0.00 46.19 47.66 1wyn s LEU 11 CO -0.07 -1.11 1.27 -0.94 0.23 0.00 0.00 176.35 175.73 1wyn s SER 12 N -3.14 4.27 -0.02 2.29 1.04 -1.26 -4.93 113.70 111.95 1wyn s SER 12 Ca 0.30 2.56 0.18 0.00 0.48 0.00 0.00 55.95 59.47 1wyn s SER 12 Cb 0.02 -2.61 0.54 0.00 0.10 0.00 0.00 66.02 64.07 1wyn s SER 12 CO 0.14 -2.23 1.46 2.29 0.98 0.00 0.00 173.24 175.88 1wyn n LYS 13 N -2.34 2.93 -1.42 4.02 2.85 -1.26 -5.00 118.16 117.95 1wyn n LYS 13 Ca 0.15 -2.51 -0.60 0.00 -1.05 0.00 0.00 58.31 54.30 1wyn n LYS 13 Cb 0.49 -1.53 -0.11 0.00 -0.65 0.00 0.00 35.03 33.23 1wyn n LYS 13 CO 0.00 0.00 0.00 0.98 -0.05 0.00 0.00 177.40 178.33 1wyn n TYR 14 N 1.13 1.42 -5.09 5.58 4.19 -1.26 -4.92 117.16 118.21 1wyn n TYR 14 Ca 0.20 0.77 -0.32 0.00 3.31 0.00 0.00 57.90 61.87 1wyn n TYR 14 Cb 0.61 -2.32 -0.15 0.00 0.49 0.00 0.00 39.34 37.97 1wyn n TYR 14 CO 0.00 0.00 0.00 0.34 0.91 0.00 0.00 176.86 178.11 1wyn s ASP 15 N 5.34 3.51 0.23 2.98 2.15 -1.26 -5.01 116.67 124.61 1wyn s ASP 15 Ca 1.14 -0.35 0.23 0.00 0.43 0.00 0.00 52.55 53.99 1wyn s ASP 15 Cb -1.38 -0.57 0.95 0.00 -0.30 0.00 0.00 42.92 41.62 1wyn s ASP 15 CO 0.67 0.33 1.68 -0.81 -0.17 0.00 0.00 175.17 176.87 1wyn n PRO 16 N 2.32 0.17 -0.13 4.34 -0.04 -1.26 -2.88 135.00 137.52 1wyn n PRO 16 Ca -0.17 0.41 -0.18 0.00 -0.04 0.00 0.00 63.50 63.53 1wyn n PRO 16 Cb 0.52 -1.84 -0.12 0.00 -0.04 0.00 0.00 33.50 32.02 1wyn n PRO 16 CO 0.00 0.00 0.00 1.04 -0.04 0.00 0.00 175.50 176.50 1wyn n GLN 17 N -2.16 0.65 -0.02 0.54 1.13 -1.26 -4.52 117.38 111.74 1wyn n GLN 17 Ca 0.02 0.14 -0.09 0.00 -1.94 0.00 0.00 57.00 55.14 1wyn n GLN 17 Cb 0.22 -1.52 -0.03 0.00 0.11 0.00 0.00 30.24 29.02 1wyn n GLN 17 CO 0.00 0.00 0.00 0.87 -1.44 0.00 0.00 177.06 176.49 1wyn h LYS 18 N 0.00 -0.04 -0.92 -1.09 1.79 -1.95 -2.34 116.57 112.03 1wyn h LYS 18 Ca -0.58 0.00 0.26 0.00 -2.18 0.00 0.00 60.65 58.15 1wyn h LYS 18 Cb 1.91 0.01 -0.17 0.00 -1.58 0.00 0.00 32.23 32.40 1wyn h LYS 18 CO -0.09 -0.03 0.04 -1.91 -1.08 0.00 0.00 179.45 176.39 1wyn n GLU 19 N -5.20 -0.07 -0.08 3.15 4.07 -1.14 0.22 120.64 121.59 1wyn n GLU 19 Ca -0.03 1.37 -0.06 0.00 -0.06 0.00 0.00 57.16 58.38 1wyn n GLU 19 Cb 0.13 -2.19 0.13 0.00 -0.06 0.00 0.00 31.44 29.46 1wyn n GLU 19 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 1wyn h ALA 20 N 1.83 0.99 -0.96 4.31 0.00 -1.67 -2.83 119.26 120.94 1wyn h ALA 20 Ca 0.56 -0.33 0.01 0.00 0.00 0.00 0.00 54.91 55.15 1wyn h ALA 20 Cb 1.18 -0.16 -0.05 0.00 0.00 0.00 0.00 17.79 18.76 1wyn h ALA 20 CO -0.86 0.60 0.63 0.93 0.00 0.00 0.00 179.25 180.56 1wyn h GLU 21 N 0.66 1.26 0.37 0.00 5.08 0.28 -0.72 114.58 121.51 1wyn h GLU 21 Ca 0.11 -0.08 -0.02 0.00 -1.00 0.00 0.00 59.36 58.37 1wyn h GLU 21 Cb 0.63 -0.28 0.00 0.00 0.50 0.00 0.00 28.75 29.60 1wyn h GLU 21 CO 0.04 0.83 -0.18 -0.07 -1.00 0.00 0.00 179.01 178.64 1wyn h LEU 22 N 1.30 -0.42 -1.28 1.33 3.38 -1.07 -1.45 115.31 117.09 1wyn h LEU 22 Ca 0.35 0.01 0.27 0.00 0.09 0.00 0.00 57.88 58.61 1wyn h LEU 22 Cb -0.15 0.11 -0.10 0.00 0.09 0.00 0.00 40.66 40.60 1wyn h LEU 22 CO -0.08 -0.24 0.66 0.08 0.09 0.00 0.00 178.44 178.96 1wyn h ARG 23 N -0.62 0.40 0.00 1.13 0.11 -1.50 0.84 114.38 114.74 1wyn h ARG 23 Ca -0.05 -0.02 -0.09 0.00 0.10 0.00 0.00 59.98 59.91 1wyn h ARG 23 Cb 0.38 -0.09 -0.01 0.00 1.11 0.00 0.00 29.97 31.36 1wyn h ARG 23 CO 0.08 0.27 -0.45 1.15 0.10 0.00 0.00 179.97 181.12 1wyn h THR 24 N 0.41 1.30 0.07 0.08 2.02 -1.07 0.33 112.91 116.05 1wyn h THR 24 Ca 0.62 -1.55 -0.29 0.00 0.77 0.00 0.00 66.41 65.97 1wyn h THR 24 Cb 1.51 1.84 -0.02 0.00 -1.74 0.00 0.00 68.15 69.74 1wyn h THR 24 CO -0.35 0.44 -1.49 -0.25 0.37 0.00 0.00 175.52 174.23 1wyn h TRP 25 N 0.00 0.27 0.00 3.16 7.01 0.16 -3.33 115.95 123.21 1wyn h TRP 25 Ca -0.00 -0.19 -0.01 0.00 2.11 0.00 0.00 58.89 60.80 1wyn h TRP 25 Cb 0.80 -0.01 -0.00 0.00 -2.10 0.00 0.00 29.16 27.85 1wyn h TRP 25 CO 0.00 1.24 -0.04 0.82 -2.79 0.00 0.00 178.44 177.67 1wyn h ILE 26 N 0.04 0.98 -0.99 2.65 2.04 -0.22 -2.94 117.51 119.07 1wyn h ILE 26 Ca -0.22 -1.75 0.33 0.00 1.00 0.00 0.00 64.86 64.23 1wyn h ILE 26 Cb 1.97 1.86 -0.18 0.00 -0.74 0.00 0.00 36.82 39.73 1wyn h ILE 26 CO 0.13 0.33 0.25 -0.33 0.00 0.00 0.00 178.15 178.54 1wyn h GLU 27 N -1.00 0.01 0.01 2.37 5.08 -0.54 1.11 114.58 121.62 1wyn h GLU 27 Ca -0.01 -0.00 -0.20 0.00 -1.00 0.00 0.00 59.36 58.15 1wyn h GLU 27 Cb 0.57 -0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.81 1wyn h GLU 27 CO -0.01 0.01 -0.89 0.78 -1.00 0.00 0.00 179.01 177.91 1wyn h GLY 28 N 0.01 0.18 0.72 -3.84 0.00 -1.69 0.48 103.07 98.94 1wyn h GLY 28 Ca 0.71 -0.33 -0.03 0.00 0.00 0.00 0.00 47.33 47.67 1wyn h GLY 28 CO -0.85 0.29 -0.33 1.41 0.00 0.00 0.00 176.54 177.05 1wyn h LEU 29 N 0.09 -0.79 0.00 3.11 3.38 0.14 -3.29 115.31 117.94 1wyn h LEU 29 Ca -0.04 0.02 -0.15 0.00 0.09 0.00 0.00 57.88 57.79 1wyn h LEU 29 Cb 1.52 0.20 -0.02 0.00 0.09 0.00 0.00 40.66 42.45 1wyn h LEU 29 CO 0.13 -0.41 -0.81 0.71 0.09 0.00 0.00 178.44 178.15 1wyn h THR 30 N -1.23 1.10 -0.46 0.22 1.35 -1.10 -3.48 112.91 109.32 1wyn h THR 30 Ca -0.10 -2.61 -0.09 0.00 -0.55 0.00 0.00 66.41 63.07 1wyn h THR 30 Cb 0.73 2.52 -0.02 0.00 -1.73 0.00 0.00 68.15 69.65 1wyn h THR 30 CO 0.16 0.63 -0.10 0.61 -0.25 0.00 0.00 175.52 176.57 1wyn n GLY 31 N 1.30 0.39 3.61 5.82 0.00 0.17 -5.02 105.19 111.45 1wyn n GLY 31 Ca -0.01 -0.77 -0.26 0.00 0.00 0.00 0.00 46.02 44.99 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 -0.57 0.00 -4.25 0.99 4.77 -1.15 -5.00 117.00 111.79 1wyn n LEU 32 Ca -0.05 -2.78 -0.33 0.00 -0.03 0.00 0.00 56.01 52.82 1wyn n LEU 32 Cb 0.39 0.01 -0.15 0.00 -2.33 0.00 0.00 43.42 41.34 1wyn n LEU 32 CO 0.06 -0.55 -0.48 -0.44 -1.33 0.00 0.00 177.39 174.65 1wyn s SER 33 N -4.03 3.64 -0.10 -1.43 0.01 -1.26 -4.66 113.70 105.87 1wyn s SER 33 Ca 0.26 -0.49 -0.24 0.00 1.31 0.00 0.00 55.95 56.79 1wyn s SER 33 Cb -0.02 -1.57 -0.20 0.00 0.21 0.00 0.00 66.02 64.44 1wyn s SER 33 CO 0.16 0.06 0.79 0.40 0.41 0.00 0.00 173.24 175.07 1wyn h ILE 34 N 5.72 1.37 0.00 1.44 2.04 -1.96 -3.49 117.51 122.62 1wyn h ILE 34 Ca -0.36 -1.78 0.00 0.00 1.00 0.00 0.00 64.86 63.72 1wyn h ILE 34 Cb 1.18 2.48 0.00 0.00 -0.74 0.00 0.00 36.82 39.74 1wyn h ILE 34 CO 0.58 0.42 0.00 0.61 0.00 0.00 0.00 178.15 179.77 1wyn n GLY 35 N 1.21 -0.14 0.25 5.37 0.00 -1.26 -3.85 105.19 106.77 1wyn n GLY 35 Ca -0.08 -2.29 -0.13 0.00 0.00 0.00 0.00 46.02 43.52 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 7.27 0.86 -4.11 1.61 0.13 -2.03 -3.37 132.00 132.36 1wyn h PRO 36 Ca 0.00 -0.45 -0.77 0.00 -0.87 0.00 0.00 66.00 63.91 1wyn h PRO 36 Cb 0.00 0.01 -0.24 0.00 0.13 0.00 0.00 31.00 30.91 1wyn h PRO 36 CO 0.00 1.09 0.55 -0.51 -0.23 0.00 0.00 178.00 178.90 1wyn s ASP 37 N -6.73 6.97 0.09 1.44 1.01 -1.26 -4.93 116.67 113.27 1wyn s ASP 37 Ca -0.12 -2.92 -0.18 0.00 0.71 0.00 0.00 52.55 50.05 1wyn s ASP 37 Cb 0.10 -2.28 -0.04 0.00 1.01 0.00 0.00 42.92 41.72 1wyn s ASP 37 CO 0.86 -0.60 1.19 0.33 0.21 0.00 0.00 175.17 177.17 1wyn n PHE 38 N 4.31 -0.26 -0.32 4.23 7.35 -1.26 0.80 117.46 132.30 1wyn n PHE 38 Ca 0.23 0.73 0.17 0.00 -0.76 0.00 0.00 57.45 57.82 1wyn n PHE 38 Cb 0.44 -0.53 0.35 0.00 0.35 0.00 0.00 39.48 40.09 1wyn n PHE 38 CO 0.00 0.00 0.00 0.37 -0.76 0.00 0.00 176.76 176.37 1wyn h GLN 39 N 0.00 0.07 0.11 -4.13 -0.00 -1.95 -0.89 115.11 108.32 1wyn h GLN 39 Ca 0.09 -0.00 -0.01 0.00 -0.00 0.00 0.00 58.65 58.73 1wyn h GLN 39 Cb 0.24 -0.02 0.00 0.00 0.00 0.00 0.00 27.48 27.71 1wyn h GLN 39 CO -0.55 0.05 -0.05 0.87 0.00 0.00 0.00 178.83 179.14 1wyn h LYS 40 N 0.07 -0.15 -0.88 1.69 1.79 0.04 0.76 116.57 119.89 1wyn h LYS 40 Ca 0.63 0.01 0.34 0.00 -2.18 0.00 0.00 60.65 59.45 1wyn h LYS 40 Cb 1.38 0.03 -0.13 0.00 -1.58 0.00 0.00 32.23 31.94 1wyn h LYS 40 CO -0.81 -0.10 0.51 0.41 -1.08 0.00 0.00 179.45 178.39 1wyn n GLY 41 N 0.14 -0.61 0.11 3.86 0.00 0.16 0.18 105.19 109.02 1wyn n GLY 41 Ca -0.02 0.62 -0.15 0.00 0.00 0.00 0.00 46.02 46.47 1wyn n GLY 41 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1wyn h LEU 42 N 0.00 0.23 -0.17 0.99 3.38 -1.20 -3.40 115.31 115.14 1wyn h LEU 42 Ca 0.67 -0.48 0.02 0.00 0.09 0.00 0.00 57.88 58.17 1wyn h LEU 42 Cb 1.91 -0.08 -0.02 0.00 0.09 0.00 0.00 40.66 42.56 1wyn h LEU 42 CO -0.52 1.43 -0.10 1.17 0.09 0.00 0.00 178.44 180.51 1wyn n LYS 43 N -3.29 -0.07 -0.37 1.13 4.81 0.46 0.20 118.16 121.03 1wyn n LYS 43 Ca -0.23 0.80 0.29 0.00 -0.87 0.00 0.00 58.31 58.31 1wyn n LYS 43 Cb 1.05 -1.20 0.55 0.00 0.02 0.00 0.00 35.03 35.45 1wyn n LYS 43 CO 0.00 0.00 0.00 0.38 1.17 0.00 0.00 177.40 178.95 1wyn h ASP 44 N 0.00 0.39 -0.66 3.14 3.04 -1.76 -3.43 116.42 117.15 1wyn h ASP 44 Ca 0.03 0.17 0.00 0.00 -3.24 0.00 0.00 57.03 53.99 1wyn h ASP 44 Cb 0.07 0.14 0.00 0.00 -1.04 0.00 0.00 39.33 38.50 1wyn h ASP 44 CO -0.16 -0.18 0.00 0.61 -2.04 0.00 0.00 179.24 177.48 1wyn n GLY 45 N -1.38 0.96 0.09 7.15 0.00 0.54 -4.40 105.19 108.16 1wyn n GLY 45 Ca 0.34 -0.49 -0.18 0.00 0.00 0.00 0.00 46.02 45.68 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 0.96 0.11 2.61 1.35 -1.79 -3.38 112.91 112.78 1wyn h THR 46 Ca 0.00 -2.06 -0.01 0.00 -0.55 0.00 0.00 66.41 63.80 1wyn h THR 46 Cb 0.71 2.15 0.00 0.00 -1.73 0.00 0.00 68.15 69.29 1wyn h THR 46 CO 0.00 0.33 -0.05 0.40 -0.25 0.00 0.00 175.52 175.94 1wyn h ILE 47 N -1.00 0.63 -0.62 6.82 2.04 -1.90 -3.30 117.51 120.18 1wyn h ILE 47 Ca -0.24 -1.25 0.26 0.00 1.00 0.00 0.00 64.86 64.64 1wyn h ILE 47 Cb 1.13 1.14 -0.11 0.00 -0.74 0.00 0.00 36.82 38.23 1wyn h ILE 47 CO -0.14 0.19 0.34 0.18 0.00 0.00 0.00 178.15 178.72 1wyn n LEU 48 N -4.85 0.21 0.35 1.44 4.77 -1.26 0.72 117.00 118.38 1wyn n LEU 48 Ca -0.05 1.02 -0.14 0.00 -0.03 0.00 0.00 56.01 56.81 1wyn n LEU 48 Cb 0.21 -0.50 -0.07 0.00 -2.33 0.00 0.00 43.42 40.74 1wyn n LEU 48 CO 0.17 -1.15 0.42 0.00 -1.33 0.00 0.00 177.39 175.51 1wyn h THR 50 N -1.09 0.55 -0.86 0.00 1.35 0.20 -1.05 112.91 112.01 1wyn h THR 50 Ca -0.09 -0.05 0.20 0.00 -0.55 0.00 0.00 66.41 65.92 1wyn h THR 50 Cb 0.70 0.41 -0.16 0.00 -1.73 0.00 0.00 68.15 67.38 1wyn h THR 50 CO 0.15 0.02 -0.06 0.25 -0.25 0.00 0.00 175.52 175.64 1wyn h LEU 51 N 0.13 -0.54 -0.36 3.87 5.85 -1.19 0.31 115.31 123.40 1wyn h LEU 51 Ca 0.29 0.24 -0.07 0.00 0.84 0.00 0.00 57.88 59.19 1wyn h LEU 51 Cb 0.46 0.45 -0.01 0.00 0.37 0.00 0.00 40.66 41.93 1wyn h LEU 51 CO -0.47 -0.26 -0.04 -0.03 -0.34 0.00 0.00 178.44 177.29 1wyn h MET 52 N 0.04 0.66 -0.96 1.25 4.05 -1.12 -2.97 114.93 115.88 1wyn h MET 52 Ca 0.47 -0.23 0.11 0.00 -0.28 0.00 0.00 59.70 59.77 1wyn h MET 52 Cb 0.84 -0.05 -0.08 0.00 -0.80 0.00 0.00 31.60 31.52 1wyn h MET 52 CO -0.82 0.80 0.61 -0.91 0.23 0.00 0.00 176.91 176.82 1wyn h ASN 53 N 0.46 0.87 -0.62 1.39 2.35 0.14 0.24 115.58 120.42 1wyn h ASN 53 Ca 0.10 0.04 -0.00 0.00 -0.55 0.00 0.00 56.30 55.88 1wyn h ASN 53 Cb 0.53 -0.14 -0.03 0.00 0.05 0.00 0.00 38.32 38.73 1wyn h ASN 53 CO 0.03 0.48 0.38 0.11 -1.65 0.00 0.00 177.43 176.78 1wyn h LYS 54 N 0.95 0.83 0.06 0.81 1.79 -0.77 -3.15 116.57 117.09 1wyn h LYS 54 Ca 0.46 -0.07 -0.00 0.00 -2.18 0.00 0.00 60.65 58.86 1wyn h LYS 54 Cb 0.47 -0.18 0.00 0.00 -1.58 0.00 0.00 32.23 30.94 1wyn h LYS 54 CO -0.23 0.59 -0.03 -0.07 -1.08 0.00 0.00 179.45 178.63 1wyn h LEU 55 N 0.84 -0.07 -8.59 2.94 3.38 -1.17 -3.44 115.31 109.19 1wyn h LEU 55 Ca 0.22 -0.54 -0.65 0.00 0.09 0.00 0.00 57.88 57.01 1wyn h LEU 55 Cb -0.04 0.02 -0.26 0.00 0.09 0.00 0.00 40.66 40.47 1wyn h LEU 55 CO -0.04 0.55 -0.72 -1.58 0.09 0.00 0.00 178.44 176.73 1wyn s GLN 56 N -3.48 3.46 0.00 1.13 0.74 0.75 -4.98 119.66 117.29 1wyn s GLN 56 Ca -0.15 -0.61 0.10 0.00 0.05 0.00 0.00 55.36 54.74 1wyn s GLN 56 Cb 0.00 -2.86 0.58 0.00 1.10 0.00 0.00 33.01 31.83 1wyn s GLN 56 CO 0.59 0.06 1.02 -0.35 -0.55 0.00 0.00 175.29 176.06 1wyn n PRO 57 N 4.03 0.49 -2.80 1.67 -0.04 -1.25 -3.38 135.00 133.72 1wyn n PRO 57 Ca -0.18 0.00 -0.10 0.00 -0.04 0.00 0.00 63.50 63.18 1wyn n PRO 57 Cb 0.52 -1.31 0.06 0.00 -0.04 0.00 0.00 33.50 32.73 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 1.63 0.28 0.55 0.00 -1.26 -4.99 105.19 101.37 1wyn n GLY 58 Ca 0.07 -0.65 -0.02 0.00 0.00 0.00 0.00 46.02 45.43 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 -0.02 0.46 -4.65 1.61 3.41 -1.22 -4.98 113.62 108.24 1wyn n SER 59 Ca 0.08 0.08 -0.37 0.00 -0.26 0.00 0.00 58.87 58.40 1wyn n SER 59 Cb 0.76 -0.44 -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 -1.45 5.34 -0.02 -3.33 1.01 -1.26 -4.74 120.40 115.95 1wyn s VAL 60 Ca -0.06 0.18 -0.26 0.00 0.00 0.00 0.00 61.98 61.84 1wyn s VAL 60 Cb 0.01 -3.50 -0.20 0.00 0.00 0.00 0.00 36.38 32.69 1wyn s VAL 60 CO 0.09 0.33 1.26 1.55 0.00 0.00 0.00 175.10 178.33 1wyn h PRO 61 N 7.65 0.01 -3.37 2.72 0.13 -1.96 -3.48 132.00 133.71 1wyn h PRO 61 Ca -0.38 -0.01 -0.03 0.00 -0.87 0.00 0.00 66.00 64.72 1wyn h PRO 61 Cb 1.17 0.00 -0.11 0.00 0.13 0.00 0.00 31.00 32.20 1wyn h PRO 61 CO 0.64 0.50 -0.01 0.21 -0.23 0.00 0.00 178.00 179.11 1wyn s LYS 62 N -4.23 1.32 -0.10 0.86 2.20 -1.26 -5.16 119.74 113.37 1wyn s LYS 62 Ca -0.16 -0.87 0.03 0.00 -0.36 0.00 0.00 55.97 54.62 1wyn s LYS 62 Cb 0.02 0.50 0.01 0.00 -1.51 0.00 0.00 37.83 36.84 1wyn s LYS 62 CO 0.68 -0.55 -0.20 0.42 -0.36 0.00 0.00 175.35 175.33 1wyn s ILE 63 N -3.87 1.82 -0.34 5.43 1.01 -1.26 -4.97 121.20 119.03 1wyn s ILE 63 Ca 0.09 -0.87 -0.29 0.00 0.00 0.00 0.00 60.65 59.58 1wyn s ILE 63 Cb -0.00 -1.60 0.01 0.00 0.01 0.00 0.00 42.46 40.87 1wyn s ILE 63 CO -0.04 0.51 1.29 0.20 0.00 0.00 0.00 174.94 176.89 1wyn s ASN 64 N 0.56 6.63 -0.47 3.58 0.01 -1.26 -4.90 114.94 119.09 1wyn s ASN 64 Ca -0.15 1.06 -0.01 0.00 -0.71 0.00 0.00 52.86 53.05 1wyn s ASN 64 Cb -0.17 -2.54 0.32 0.00 0.41 0.00 0.00 41.25 39.27 1wyn s ASN 64 CO 0.05 -1.14 2.02 0.54 -1.51 0.00 0.00 177.10 177.06 1wyn n ARG 65 N 7.46 2.19 -4.45 -0.60 3.00 -1.26 -4.88 116.66 118.12 1wyn n ARG 65 Ca 0.15 -2.32 -0.29 0.00 -0.01 0.00 0.00 57.85 55.38 1wyn n ARG 65 Cb 0.47 -1.91 -0.07 0.00 0.00 0.00 0.00 32.46 30.95 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 -0.70 4.21 -0.43 0.55 0.01 -1.26 -5.06 113.70 111.01 1wyn s SER 66 Ca 0.46 -1.39 0.04 0.00 1.31 0.00 0.00 55.95 56.37 1wyn s SER 66 Cb 0.36 0.03 0.44 0.00 0.21 0.00 0.00 66.02 67.07 1wyn s SER 66 CO -0.01 -0.71 1.42 0.80 0.41 0.00 0.00 173.24 175.15 1wyn n MET 67 N -1.26 3.33 -4.17 12.44 1.56 -1.26 -4.73 117.12 123.03 1wyn n MET 67 Ca -0.09 -3.98 -0.35 0.00 -0.27 0.00 0.00 57.70 53.01 1wyn n MET 67 Cb 0.66 -2.28 -0.10 0.00 2.15 0.00 0.00 33.22 33.65 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 -3.67 3.63 0.08 2.12 -1.52 -1.26 -5.00 119.66 114.04 1wyn s GLN 68 Ca 0.54 -0.38 -0.17 0.00 -1.95 0.00 0.00 55.36 53.40 1wyn s GLN 68 Cb 0.43 -3.04 -0.04 0.00 -0.22 0.00 0.00 33.01 30.14 1wyn s GLN 68 CO -0.03 0.41 1.29 -0.97 -0.25 0.00 0.00 175.29 175.74 1wyn h ASN 69 N 6.19 -1.14 -0.61 5.90 -1.24 -1.99 0.21 115.58 122.91 1wyn h ASN 69 Ca -0.40 0.17 0.12 0.00 0.71 0.00 0.00 56.30 56.90 1wyn h ASN 69 Cb 1.18 0.50 -0.11 0.00 0.73 0.00 0.00 38.32 40.62 1wyn h ASN 69 CO 0.64 -0.14 -0.10 4.11 -1.29 0.00 0.00 177.43 180.65 1wyn h TRP 70 N -0.03 -0.23 0.26 0.67 0.09 -1.99 -1.21 115.95 113.50 1wyn h TRP 70 Ca 0.08 0.05 0.01 0.00 0.09 0.00 0.00 58.89 59.12 1wyn h TRP 70 Cb 0.24 0.20 -0.04 0.00 0.08 0.00 0.00 29.16 29.63 1wyn h TRP 70 CO -0.94 -0.23 -0.46 0.45 0.09 0.00 0.00 178.44 177.36 1wyn h HIS 71 N 0.03 -1.28 -0.89 0.12 3.86 -1.28 -0.05 115.15 115.66 1wyn h HIS 71 Ca 0.30 0.02 0.21 0.00 -1.16 0.00 0.00 60.37 59.74 1wyn h HIS 71 Cb 0.48 0.53 -0.12 0.00 1.06 0.00 0.00 27.41 29.35 1wyn h HIS 71 CO -0.45 -0.58 0.41 1.96 0.86 0.00 0.00 177.93 180.13 1wyn h GLN 72 N -0.78 0.44 0.31 2.45 7.50 0.07 -1.29 115.11 123.81 1wyn h GLN 72 Ca -0.01 -0.03 -0.02 0.00 0.50 0.00 0.00 58.65 59.10 1wyn h GLN 72 Cb 0.75 -0.10 0.00 0.00 0.05 0.00 0.00 27.48 28.18 1wyn h GLN 72 CO -0.18 0.29 -0.15 -0.07 -1.50 0.00 0.00 178.83 177.22 1wyn h LEU 73 N 0.46 -0.35 -0.97 1.46 -0.00 -0.47 -2.90 115.31 112.54 1wyn h LEU 73 Ca 0.54 -0.07 0.31 0.00 -0.00 0.00 0.00 57.88 58.67 1wyn h LEU 73 Cb 0.98 0.09 -0.17 0.00 -0.00 0.00 0.00 40.66 41.57 1wyn h LEU 73 CO -0.49 -0.15 0.33 -0.08 -0.00 0.00 0.00 178.44 178.05 1wyn h GLU 74 N -0.54 0.11 0.07 1.13 4.57 0.16 0.13 114.58 120.21 1wyn h GLU 74 Ca -0.04 -0.01 0.02 0.00 -1.18 0.00 0.00 59.36 58.16 1wyn h GLU 74 Cb 0.40 -0.03 -0.05 0.00 -0.16 0.00 0.00 28.75 28.92 1wyn h GLU 74 CO 0.07 0.07 -0.40 -0.91 -1.18 0.00 0.00 179.01 176.67 1wyn h ASN 75 N 0.11 -1.18 0.06 1.04 2.35 -1.27 -0.45 115.58 116.25 1wyn h ASN 75 Ca 0.68 0.14 -0.00 0.00 -0.55 0.00 0.00 56.30 56.57 1wyn h ASN 75 Cb 1.58 0.45 0.00 0.00 0.05 0.00 0.00 38.32 40.40 1wyn h ASN 75 CO -0.75 -0.46 -0.03 -0.07 -1.65 0.00 0.00 177.43 174.47 1wyn h LEU 76 N -0.60 -0.07 -0.87 1.61 3.38 -0.83 -1.45 115.31 116.49 1wyn h LEU 76 Ca 0.04 0.00 0.21 0.00 0.09 0.00 0.00 57.88 58.22 1wyn h LEU 76 Cb 0.65 0.02 -0.12 0.00 0.09 0.00 0.00 40.66 41.29 1wyn h LEU 76 CO -0.26 -0.05 0.35 0.28 0.09 0.00 0.00 178.44 178.85 1wyn h SER 77 N -0.08 0.25 0.12 -0.43 0.02 -0.86 0.22 113.55 112.79 1wyn h SER 77 Ca -0.01 0.16 -0.01 0.00 -0.84 0.00 0.00 61.79 61.09 1wyn h SER 77 Cb 0.06 0.16 0.00 0.00 0.14 0.00 0.00 62.40 62.76 1wyn h SER 77 CO 0.01 -0.03 -0.06 0.78 -1.14 0.00 0.00 176.83 176.40 1wyn h ASN 78 N 0.36 -0.14 -0.08 3.07 2.35 -0.71 -2.53 115.58 117.90 1wyn h ASN 78 Ca 0.54 -0.32 0.04 0.00 -0.55 0.00 0.00 56.30 56.01 1wyn h ASN 78 Cb 1.02 0.04 -0.05 0.00 0.05 0.00 0.00 38.32 39.38 1wyn h ASN 78 CO -0.54 0.26 -0.23 0.15 -1.65 0.00 0.00 177.43 175.42 1wyn h PHE 79 N -0.57 -0.61 0.02 1.19 3.57 -0.14 -0.80 116.94 119.60 1wyn h PHE 79 Ca -0.02 0.03 0.03 0.00 3.53 0.00 0.00 57.97 61.54 1wyn h PHE 79 Cb 0.45 0.28 -0.05 0.00 2.79 0.00 0.00 35.95 39.41 1wyn h PHE 79 CO 0.05 -0.31 -0.43 0.82 -2.23 0.00 0.00 178.31 176.21 1wyn h ILE 80 N -0.32 0.14 -0.94 1.41 2.04 -0.67 -0.63 117.51 118.54 1wyn h ILE 80 Ca 0.09 0.00 0.19 0.00 1.00 0.00 0.00 64.86 66.14 1wyn h ILE 80 Cb 0.44 0.14 -0.08 0.00 -0.74 0.00 0.00 36.82 36.58 1wyn h ILE 80 CO -0.26 0.00 0.60 0.11 0.00 0.00 0.00 178.15 178.60 1wyn h LYS 81 N -0.60 0.54 -0.75 2.37 1.57 -1.18 0.38 116.57 118.91 1wyn h LYS 81 Ca 0.04 -0.03 -0.02 0.00 -1.87 0.00 0.00 60.65 58.76 1wyn h LYS 81 Cb 0.67 -0.12 -0.03 0.00 0.08 0.00 0.00 32.23 32.82 1wyn h LYS 81 CO -0.31 0.36 0.37 0.00 -0.57 0.00 0.00 179.45 179.30 1wyn h ALA 82 N 1.61 0.96 -0.52 3.86 0.00 0.35 -2.79 119.26 122.74 1wyn h ALA 82 Ca 0.50 -0.14 0.05 0.00 0.00 0.00 0.00 54.91 55.32 1wyn h ALA 82 Cb 1.03 -0.30 -0.05 0.00 0.00 0.00 0.00 17.79 18.48 1wyn h ALA 82 CO -0.24 0.51 0.26 0.52 0.00 0.00 0.00 179.25 180.29 1wyn h MET 83 N 1.04 0.48 -0.80 0.00 2.86 -0.04 -1.57 114.93 116.91 1wyn h MET 83 Ca 0.26 -0.03 0.12 0.00 -2.06 0.00 0.00 59.70 57.99 1wyn h MET 83 Cb 0.10 -0.11 -0.08 0.00 0.06 0.00 0.00 31.60 31.56 1wyn h MET 83 CO -0.04 0.32 0.40 0.28 1.06 0.00 0.00 176.91 178.94 1wyn h VAL 84 N 0.49 0.79 -0.50 -2.22 2.07 -1.31 -1.29 116.25 114.28 1wyn h VAL 84 Ca 0.23 -0.22 -0.10 0.00 0.82 0.00 0.00 66.70 67.44 1wyn h VAL 84 Cb 0.16 0.10 -0.02 0.00 -1.52 0.00 0.00 31.29 30.02 1wyn h VAL 84 CO -0.17 0.11 -0.07 -1.28 0.02 0.00 0.00 177.57 176.18 1wyn h SER 85 N 0.63 0.92 -0.49 0.57 0.87 -1.29 -3.14 113.55 111.63 1wyn h SER 85 Ca 0.41 -0.34 0.10 0.00 -1.23 0.00 0.00 61.79 60.73 1wyn h SER 85 Cb 0.52 -0.25 -0.09 0.00 -0.44 0.00 0.00 62.40 62.13 1wyn h SER 85 CO -0.32 1.05 -0.13 0.22 -0.53 0.00 0.00 176.83 177.12 1wyn h TYR 86 N 0.79 -0.27 0.00 2.24 3.20 -0.30 -3.45 116.97 119.18 1wyn h TYR 86 Ca 0.13 0.04 0.00 0.00 3.14 0.00 0.00 58.73 62.05 1wyn h TYR 86 Cb 0.61 0.20 0.00 0.00 1.54 0.00 0.00 36.73 39.08 1wyn h TYR 86 CO 0.05 -0.21 0.00 0.41 -1.64 0.00 0.00 178.16 176.76 1wyn n GLY 87 N -1.36 0.16 4.00 1.82 0.00 -1.02 -5.12 105.19 103.67 1wyn n GLY 87 Ca 0.04 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.84 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 1.81 0.38 1.61 -1.94 -1.20 -5.07 119.30 114.89 1wyn s MET 88 Ca 0.00 -1.21 0.00 0.00 -1.71 0.00 0.00 55.69 52.77 1wyn s MET 88 Cb 0.00 -2.40 -0.02 0.00 2.01 0.00 0.00 34.83 34.42 1wyn s MET 88 CO 0.00 -1.32 0.59 -0.80 -0.01 0.00 0.00 175.02 173.48 1wyn s ASN 89 N -4.72 6.17 0.00 3.03 -0.87 -1.26 -4.90 114.94 112.39 1wyn s ASN 89 Ca 0.65 0.41 0.15 0.00 -1.57 0.00 0.00 52.86 52.51 1wyn s ASN 89 Cb -0.05 -1.89 0.77 0.00 -0.02 0.00 0.00 41.25 40.06 1wyn s ASN 89 CO 0.43 -0.42 1.40 -0.81 -2.57 0.00 0.00 177.10 175.13 1wyn n PRO 90 N -1.88 0.25 -0.00 -0.60 -0.04 -1.26 -2.50 135.00 128.97 1wyn n PRO 90 Ca -0.03 0.13 0.01 0.00 -0.04 0.00 0.00 63.50 63.57 1wyn n PRO 90 Cb 0.57 -1.50 -0.01 0.00 -0.04 0.00 0.00 33.50 32.51 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 -1.25 0.00 0.73 0.52 3.14 -1.26 -4.60 118.33 115.61 1wyn n VAL 91 Ca 0.08 -0.08 0.01 0.00 -2.96 0.00 0.00 64.34 61.39 1wyn n VAL 91 Cb 0.11 0.51 0.06 0.00 -1.06 0.00 0.00 33.84 33.46 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 -1.51 1.77 -4.15 6.55 8.00 -1.04 -4.83 116.55 121.34 1wyn n ASP 92 Ca -0.00 -2.14 -0.23 0.00 0.71 0.00 0.00 54.79 53.13 1wyn n ASP 92 Cb 0.04 -0.53 -0.03 0.00 -0.02 0.00 0.00 41.12 40.59 1wyn n ASP 92 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 1wyn n LEU 93 N 0.10 0.00 -3.73 0.64 4.77 -1.25 -4.34 117.00 113.19 1wyn n LEU 93 Ca 0.04 -2.36 -0.14 0.00 -0.03 0.00 0.00 56.01 53.53 1wyn n LEU 93 Cb 0.40 0.12 -0.09 0.00 -2.33 0.00 0.00 43.42 41.53 1wyn n LEU 93 CO 0.05 -0.43 0.08 0.72 -1.33 0.00 0.00 177.39 176.47 1wyn s PHE 94 N -2.27 -0.28 0.58 -1.77 -0.71 -1.26 -4.81 117.98 107.46 1wyn s PHE 94 Ca 0.12 0.51 -0.10 0.00 -1.04 0.00 0.00 56.93 56.42 1wyn s PHE 94 Cb -0.01 0.14 0.14 0.00 -1.21 0.00 0.00 43.02 42.09 1wyn s PHE 94 CO 0.08 -0.38 0.53 0.39 -1.34 0.00 0.00 175.22 174.50 1wyn n GLU 95 N 1.54 -1.95 0.01 1.99 1.02 -1.26 -4.88 120.64 117.11 1wyn n GLU 95 Ca -0.20 -0.85 0.11 0.00 -0.02 0.00 0.00 57.16 56.20 1wyn n GLU 95 Cb 0.56 -0.78 -0.06 0.00 -0.02 0.00 0.00 31.44 31.15 1wyn n GLU 95 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1wyn n ALA 96 N -3.87 3.59 0.06 0.62 0.00 -1.26 -4.31 120.51 115.34 1wyn n ALA 96 Ca -0.10 -0.48 -0.23 0.00 0.00 0.00 0.00 53.44 52.64 1wyn n ALA 96 Cb 0.28 -0.87 -0.15 0.00 0.00 0.00 0.00 19.45 18.71 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 0.57 -0.99 0.00 2.35 -1.97 -2.78 115.58 112.75 1wyn h ASN 97 Ca 0.00 -0.92 0.33 0.00 -0.55 0.00 0.00 56.30 55.16 1wyn h ASN 97 Cb 0.74 -0.18 -0.18 0.00 0.05 0.00 0.00 38.32 38.74 1wyn h ASN 97 CO 0.00 1.72 0.24 -2.24 -1.65 0.00 0.00 177.43 175.51 1wyn h ASP 98 N -0.02 -0.14 0.00 5.81 3.04 -1.84 0.77 116.42 124.03 1wyn h ASP 98 Ca -0.32 0.27 -0.12 0.00 -3.24 0.00 0.00 57.03 53.62 1wyn h ASP 98 Cb 1.99 0.39 -0.02 0.00 -1.04 0.00 0.00 39.33 40.66 1wyn h ASP 98 CO 0.15 -0.38 -0.81 0.25 -2.04 0.00 0.00 179.24 176.41 1wyn h LEU 99 N 0.02 0.00 -0.70 0.15 5.85 -1.72 0.95 115.31 119.86 1wyn h LEU 99 Ca 0.70 -0.34 0.06 0.00 0.84 0.00 0.00 57.88 59.14 1wyn h LEU 99 Cb 1.64 0.00 -0.09 0.00 0.37 0.00 0.00 40.66 42.58 1wyn h LEU 99 CO -0.85 1.13 -0.43 0.15 -0.34 0.00 0.00 178.44 178.10 1wyn h PHE 100 N -1.00 -1.38 -0.89 1.25 3.57 -1.07 0.19 116.94 117.61 1wyn h PHE 100 Ca -0.18 0.09 -0.57 0.00 3.53 0.00 0.00 57.97 60.85 1wyn h PHE 100 Cb 0.92 0.69 -0.29 0.00 2.79 0.00 0.00 35.95 40.06 1wyn h PHE 100 CO 0.00 -0.28 0.47 0.39 -2.23 0.00 0.00 178.31 176.66 1wyn n GLU 101 N -4.64 2.62 -2.15 1.11 -0.58 0.20 -4.89 120.64 112.31 1wyn n GLU 101 Ca 0.01 -3.34 -0.01 0.00 -0.42 0.00 0.00 57.16 53.40 1wyn n GLU 101 Cb 0.19 -2.21 -0.00 0.00 -0.57 0.00 0.00 31.44 28.86 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 -0.97 -0.97 0.25 1.62 3.41 0.05 -4.69 113.62 112.32 1wyn n SER 102 Ca 0.56 0.37 0.14 0.00 -0.26 0.00 0.00 58.87 59.68 1wyn n SER 102 Cb 0.98 -1.05 0.75 0.00 -0.26 0.00 0.00 64.21 64.64 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 0.85 -3.40 103.07 99.60 1wyn h GLY 103 Ca -0.02 0.00 0.25 0.00 0.00 0.00 0.00 47.33 47.56 1wyn h GLY 103 CO 0.02 0.00 0.28 0.21 0.00 0.00 0.00 176.54 177.05 1wyn s ASN 104 N -4.27 -0.29 0.00 0.19 3.84 0.67 -4.81 114.94 110.27 1wyn s ASN 104 Ca -0.03 0.25 0.23 0.00 0.21 0.00 0.00 52.86 53.53 1wyn s ASN 104 Cb 0.08 1.27 0.20 0.00 -0.55 0.00 0.00 41.25 42.25 1wyn s ASN 104 CO 0.25 -0.05 1.25 0.23 -2.79 0.00 0.00 177.10 175.99 1wyn n MET 105 N 5.21 2.25 -0.06 0.43 2.81 -1.26 -4.14 117.12 122.36 1wyn n MET 105 Ca -0.08 -1.92 -0.13 0.00 -1.81 0.00 0.00 57.70 53.77 1wyn n MET 105 Cb 0.54 -1.45 -0.14 0.00 -0.71 0.00 0.00 33.22 31.46 1wyn n MET 105 CO 0.00 0.00 0.00 0.25 1.51 0.00 0.00 175.97 177.73 1wyn n THR 106 N 1.32 1.54 0.05 2.03 -2.24 -1.26 -3.43 114.28 112.29 1wyn n THR 106 Ca 0.14 -0.76 -0.12 0.00 -2.27 0.00 0.00 64.05 61.04 1wyn n THR 106 Cb 0.58 -1.02 -0.01 0.00 -2.10 0.00 0.00 70.33 67.79 1wyn n THR 106 CO 0.00 0.00 0.00 -0.61 -0.57 0.00 0.00 175.07 173.89 1wyn h GLN 107 N 0.01 0.45 0.00 -0.78 5.75 -1.94 -2.77 115.11 115.83 1wyn h GLN 107 Ca -0.45 -0.41 -0.07 0.00 -0.15 0.00 0.00 58.65 57.57 1wyn h GLN 107 Cb 2.08 0.10 -0.01 0.00 1.07 0.00 0.00 27.48 30.72 1wyn h GLN 107 CO 0.03 1.05 -0.33 0.28 -2.65 0.00 0.00 178.83 177.21 1wyn h VAL 108 N 0.28 0.60 0.10 2.39 2.07 -1.75 -3.02 116.25 116.92 1wyn h VAL 108 Ca -0.05 -1.74 -0.01 0.00 0.82 0.00 0.00 66.70 65.72 1wyn h VAL 108 Cb 1.42 2.21 0.00 0.00 -1.52 0.00 0.00 31.29 33.41 1wyn h VAL 108 CO 0.14 0.33 -0.05 -0.61 0.02 0.00 0.00 177.57 177.40 1wyn h GLN 109 N 0.00 -0.14 -0.95 1.57 4.15 -1.57 -3.25 115.11 114.93 1wyn h GLN 109 Ca -0.00 0.01 0.03 0.00 0.77 0.00 0.00 58.65 59.46 1wyn h GLN 109 Cb 1.19 0.03 -0.05 0.00 0.21 0.00 0.00 27.48 28.85 1wyn h GLN 109 CO 0.04 0.37 0.62 -0.39 -1.93 0.00 0.00 178.83 177.55 1wyn h VAL 110 N -0.82 1.18 -0.71 2.39 -1.51 -1.60 -2.39 116.25 112.79 1wyn h VAL 110 Ca -0.01 -0.42 0.15 0.00 -1.23 0.00 0.00 66.70 65.19 1wyn h VAL 110 Cb 0.57 -0.14 -0.11 0.00 -2.13 0.00 0.00 31.29 29.47 1wyn h VAL 110 CO 0.02 0.22 0.11 -1.28 -1.23 0.00 0.00 177.57 175.42 1wyn h SER 111 N 1.21 -0.11 -0.26 4.19 0.87 -1.61 0.24 113.55 118.09 1wyn h SER 111 Ca 0.37 0.15 -0.08 0.00 -1.23 0.00 0.00 61.79 61.01 1wyn h SER 111 Cb -0.02 0.24 -0.01 0.00 -0.44 0.00 0.00 62.40 62.17 1wyn h SER 111 CO -0.11 -0.08 -0.14 -0.07 -0.53 0.00 0.00 176.83 175.90 1wyn h LEU 112 N 0.21 0.56 -2.16 2.23 3.38 -1.48 0.18 115.31 118.24 1wyn h LEU 112 Ca 0.39 -0.42 -0.00 0.00 0.09 0.00 0.00 57.88 57.94 1wyn h LEU 112 Cb 0.67 -0.16 -0.00 0.00 0.09 0.00 0.00 40.66 41.26 1wyn h LEU 112 CO -0.54 0.85 -0.01 -0.07 0.09 0.00 0.00 178.44 178.77 1wyn h LEU 113 N 0.27 0.00 0.06 1.67 3.38 -0.71 0.26 115.31 120.23 1wyn h LEU 113 Ca 0.06 0.00 -0.32 0.00 0.09 0.00 0.00 57.88 57.70 1wyn h LEU 113 Cb 0.65 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.37 1wyn h LEU 113 CO 0.04 0.01 -1.79 0.00 0.09 0.00 0.00 178.44 176.79 1wyn h ALA 114 N 1.99 0.58 -0.11 1.53 0.00 -0.39 -3.27 119.26 119.59 1wyn h ALA 114 Ca -0.00 -1.39 -0.16 0.00 0.00 0.00 0.00 54.91 53.36 1wyn h ALA 114 Cb 0.01 0.54 -0.01 0.00 0.00 0.00 0.00 17.79 18.33 1wyn h ALA 114 CO 0.00 1.42 -0.62 1.25 0.00 0.00 0.00 179.25 181.30 1wyn h LEU 115 N 0.04 0.46 0.70 0.00 5.85 -0.01 -3.23 115.31 119.12 1wyn h LEU 115 Ca -0.33 -0.27 -0.03 0.00 0.84 0.00 0.00 57.88 58.09 1wyn h LEU 115 Cb 2.02 -0.13 0.01 0.00 0.37 0.00 0.00 40.66 42.92 1wyn h LEU 115 CO 0.09 0.97 -0.34 0.00 -0.34 0.00 0.00 178.44 178.82 1wyn h ALA 116 N 1.04 -0.95 -1.27 1.25 0.00 -0.67 -1.17 119.26 117.49 1wyn h ALA 116 Ca -0.01 -0.21 0.42 0.00 0.00 0.00 0.00 54.91 55.12 1wyn h ALA 116 Cb 1.16 0.36 -0.13 0.00 0.00 0.00 0.00 17.79 19.18 1wyn h ALA 116 CO 0.11 -0.88 0.81 0.78 0.00 0.00 0.00 179.25 180.06 1wyn h GLY 117 N -1.25 1.42 0.78 0.00 0.00 -1.65 0.45 103.07 102.83 1wyn h GLY 117 Ca -0.10 -0.13 -0.18 0.00 0.00 0.00 0.00 47.33 46.92 1wyn h GLY 117 CO 0.16 -0.43 -0.77 1.70 0.00 0.00 0.00 176.54 177.20 1wyn h LYS 118 N 0.10 0.38 -0.07 4.80 3.64 -1.56 -3.26 116.57 120.60 1wyn h LYS 118 Ca 0.81 -0.51 0.02 0.00 -1.27 0.00 0.00 60.65 59.70 1wyn h LYS 118 Cb 2.46 0.17 -0.00 0.00 -0.41 0.00 0.00 32.23 34.45 1wyn h LYS 118 CO -0.45 1.20 0.05 0.00 -2.27 0.00 0.00 179.45 177.98 1wyn h ALA 119 N 0.20 2.00 -1.21 5.00 0.00 0.11 -1.97 119.26 123.39 1wyn h ALA 119 Ca -0.12 -0.00 0.35 0.00 0.00 0.00 0.00 54.91 55.14 1wyn h ALA 119 Cb 1.53 0.01 -0.06 0.00 0.00 0.00 0.00 17.79 19.27 1wyn h ALA 119 CO 0.15 -0.09 0.85 0.87 0.00 0.00 0.00 179.25 181.03 1wyn h LYS 120 N 0.00 0.06 -1.21 0.00 1.57 -0.97 0.11 116.57 116.13 1wyn h LYS 120 Ca 0.03 -0.00 0.35 0.00 -1.87 0.00 0.00 60.65 59.16 1wyn h LYS 120 Cb 0.14 -0.01 -0.05 0.00 0.08 0.00 0.00 32.23 32.39 1wyn h LYS 120 CO -0.00 0.04 1.19 0.00 -0.57 0.00 0.00 179.45 180.11 1wyn h THR 121 N 0.06 0.05 -0.25 -0.16 1.03 -1.56 0.32 112.91 112.40 1wyn h THR 121 Ca 0.60 0.00 0.06 0.00 -0.01 0.00 0.00 66.41 67.05 1wyn h THR 121 Cb 2.23 0.08 -0.05 0.00 -1.07 0.00 0.00 68.15 69.33 1wyn h THR 121 CO -0.07 0.00 -0.10 0.11 -0.01 0.00 0.00 175.52 175.46 1wyn h LYS 122 N 0.00 -0.05 -2.19 0.00 6.56 -1.22 -3.24 116.57 116.42 1wyn h LYS 122 Ca 0.58 0.00 -0.59 0.00 -1.06 0.00 0.00 60.65 59.58 1wyn h LYS 122 Cb 2.95 0.01 -0.42 0.00 -0.57 0.00 0.00 32.23 34.20 1wyn h LYS 122 CO -0.01 -0.03 -0.68 0.41 -2.06 0.00 0.00 179.45 177.09 1wyn n GLY 123 N -1.26 4.84 3.97 3.86 0.00 0.11 -5.08 105.19 111.62 1wyn n GLY 123 Ca -0.01 -2.63 -0.22 0.00 0.00 0.00 0.00 46.02 43.16 1wyn n GLY 123 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 1wyn s LEU 124 N -2.66 3.75 -0.92 0.99 0.05 -1.22 -5.05 118.68 113.61 1wyn s LEU 124 Ca 0.42 0.12 -0.02 0.00 0.05 0.00 0.00 54.13 54.70 1wyn s LEU 124 Cb 0.20 -3.01 0.25 0.00 -2.05 0.00 0.00 46.19 41.57 1wyn s LEU 124 CO -0.06 -0.62 0.95 0.00 -0.55 0.00 0.00 176.35 176.06 1wyn n GLN 125 N -1.94 3.06 -3.93 1.48 10.64 -1.26 -5.05 117.38 120.38 1wyn n GLN 125 Ca 0.01 -4.52 -0.32 0.00 -1.83 0.00 0.00 57.00 50.34 1wyn n GLN 125 Cb 0.58 -2.42 -0.05 0.00 -0.86 0.00 0.00 30.24 27.49 1wyn n GLN 125 CO 0.00 0.00 0.00 0.45 -1.83 0.00 0.00 177.06 175.68 1wyn s SER 126 N -0.66 6.29 -0.10 2.61 0.15 -1.26 -5.02 113.70 115.71 1wyn s SER 126 Ca 0.31 0.28 -0.00 0.00 0.70 0.00 0.00 55.95 57.23 1wyn s SER 126 Cb -0.02 -1.94 -0.06 0.00 -1.71 0.00 0.00 66.02 62.30 1wyn s SER 126 CO -0.06 0.20 -0.09 0.61 1.20 0.00 0.00 173.24 175.10 1wyn n GLY 127 N 0.55 -0.14 3.04 9.45 0.00 -1.26 -5.02 105.19 111.82 1wyn n GLY 127 Ca -0.07 -0.06 -0.25 0.00 0.00 0.00 0.00 46.02 45.63 1wyn n GLY 127 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1wyn s VAL 128 N -2.19 1.21 -0.05 1.61 1.01 -1.26 -5.14 120.40 115.59 1wyn s VAL 128 Ca -0.13 -0.53 -0.02 0.00 0.00 0.00 0.00 61.98 61.30 1wyn s VAL 128 Cb 0.04 -1.10 -0.04 0.00 0.00 0.00 0.00 36.38 35.28 1wyn s VAL 128 CO 0.22 0.37 0.06 -1.81 0.00 0.00 0.00 175.10 173.94 1wyn s ASP 129 N 0.59 5.63 0.17 3.32 1.11 -1.26 -5.02 116.67 121.21 1wyn s ASP 129 Ca -0.14 0.19 -0.15 0.00 0.18 0.00 0.00 52.55 52.63 1wyn s ASP 129 Cb -0.16 -1.64 0.09 0.00 1.07 0.00 0.00 42.92 42.29 1wyn s ASP 129 CO 0.04 0.33 1.77 0.40 1.18 0.00 0.00 175.17 178.88 1wyn h ILE 130 N 3.65 0.92 0.00 0.77 2.04 -2.06 -3.47 117.51 119.36 1wyn h ILE 130 Ca -0.51 -0.13 0.00 0.00 1.00 0.00 0.00 64.86 65.23 1wyn h ILE 130 Cb 1.19 0.52 0.00 0.00 -0.74 0.00 0.00 36.82 37.79 1wyn h ILE 130 CO 0.59 0.07 0.00 0.61 0.00 0.00 0.00 178.15 179.42 1wyn n GLY 131 N -1.23 2.31 2.79 5.37 0.00 -1.26 -5.17 105.19 108.00 1wyn n GLY 131 Ca 0.03 -0.34 -0.14 0.00 0.00 0.00 0.00 46.02 45.56 1wyn n GLY 131 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1wyn s VAL 132 N 0.00 -0.05 0.05 1.61 0.11 -1.26 -5.14 120.40 115.72 1wyn s VAL 132 Ca 0.00 0.18 -0.26 0.00 -2.93 0.00 0.00 61.98 58.97 1wyn s VAL 132 Cb 0.00 -0.07 -0.05 0.00 -1.53 0.00 0.00 36.38 34.73 1wyn s VAL 132 CO 0.00 0.07 0.80 -1.59 -3.33 0.00 0.00 175.10 171.05 1wyn s LYS 133 N 0.90 4.53 -0.66 1.54 -2.85 -1.26 -5.02 119.74 116.92 1wyn s LYS 133 Ca -0.07 1.13 -0.14 0.00 -1.00 0.00 0.00 55.97 55.89 1wyn s LYS 133 Cb -0.11 -3.37 0.17 0.00 -2.06 0.00 0.00 37.83 32.46 1wyn s LYS 133 CO -0.03 0.26 0.59 1.52 0.10 0.00 0.00 175.35 177.79 1wyn s TYR 134 N 0.01 3.50 -0.38 1.78 1.13 -1.26 -5.01 117.35 117.11 1wyn s TYR 134 Ca 0.40 -1.75 -0.03 0.00 -1.41 0.00 0.00 57.07 54.28 1wyn s TYR 134 Cb -0.21 -3.74 0.10 0.00 -1.10 0.00 0.00 41.96 37.01 1wyn s TYR 134 CO 0.24 -0.99 0.16 0.45 -2.51 0.00 0.00 175.55 172.90 1wyn s SER 135 N 2.69 5.18 0.05 -0.18 0.15 -1.26 -5.08 113.70 115.25 1wyn s SER 135 Ca 0.11 -1.87 -0.31 0.00 0.70 0.00 0.00 55.95 54.58 1wyn s SER 135 Cb -0.20 -1.80 -0.06 0.00 -1.71 0.00 0.00 66.02 62.24 1wyn s SER 135 CO -0.03 -0.48 1.35 -1.61 1.20 0.00 0.00 173.24 173.67 1wyn s GLU 136 N 1.16 4.33 -0.83 5.44 2.02 -1.26 -4.96 118.70 124.60 1wyn s GLU 136 Ca 0.06 1.95 -0.20 0.00 0.02 0.00 0.00 54.97 56.80 1wyn s GLU 136 Cb -0.22 -3.41 0.12 0.00 0.10 0.00 0.00 34.13 30.71 1wyn s GLU 136 CO -0.04 -0.46 1.03 0.15 0.02 0.00 0.00 175.26 175.97 1wyn s LYS 137 N 1.66 3.42 -0.28 1.61 3.01 -1.26 -5.00 119.74 122.91 1wyn s LYS 137 Ca 0.63 -1.51 -0.09 0.00 -1.01 0.00 0.00 55.97 53.99 1wyn s LYS 137 Cb -0.33 -4.67 -0.03 0.00 -1.01 0.00 0.00 37.83 31.80 1wyn s LYS 137 CO 0.28 -1.74 0.12 1.14 0.51 0.00 0.00 175.35 175.66 1wyn s GLN 138 N 2.94 3.60 -0.18 1.68 -2.07 -1.26 -5.05 119.66 119.32 1wyn s GLN 138 Ca 0.27 -0.53 -0.30 0.00 -1.82 0.00 0.00 55.36 52.98 1wyn s GLN 138 Cb -0.10 -3.48 0.14 0.00 -1.09 0.00 0.00 33.01 28.49 1wyn s GLN 138 CO -0.03 -0.27 1.09 -2.00 -1.32 0.00 0.00 175.29 172.76 1wyn s GLU 139 N 1.64 0.47 0.60 9.60 2.12 -1.26 -5.18 118.70 126.70 1wyn s GLU 139 Ca 0.06 0.07 0.03 0.00 0.36 0.00 0.00 54.97 55.49 1wyn s GLU 139 Cb -0.16 0.22 0.08 0.00 0.26 0.00 0.00 34.13 34.53 1wyn s GLU 139 CO 0.06 -0.16 0.84 -0.98 -0.54 0.00 0.00 175.26 174.48 1wyn s ARG 140 N -1.31 2.20 0.01 4.30 1.70 -1.26 -5.06 118.95 119.52 1wyn s ARG 140 Ca 0.02 -1.14 0.00 0.00 -0.47 0.00 0.00 55.73 54.14 1wyn s ARG 140 Cb -0.01 -2.49 0.00 0.00 -0.57 0.00 0.00 34.95 31.88 1wyn s ARG 140 CO -0.02 -0.97 0.00 0.45 -1.08 0.00 0.00 175.30 173.68 1wyn n SER 141 N -2.45 0.04 -4.10 -2.89 2.88 -1.26 -5.09 113.62 100.75 1wyn n SER 141 Ca 0.12 0.01 -0.17 0.00 -1.33 0.00 0.00 58.87 57.50 1wyn n SER 141 Cb 0.60 -0.01 -0.13 0.00 -0.75 0.00 0.00 64.21 63.93 1wyn n SER 141 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 1wyn s GLY 142 N -4.96 0.64 0.00 0.46 0.00 -1.26 -5.01 107.32 97.19 1wyn s GLY 142 Ca 0.00 -0.73 0.15 0.00 0.00 0.00 0.00 44.72 44.14 1wyn s GLY 142 CO 0.00 -0.73 1.37 -1.55 0.00 0.00 0.00 173.10 172.19 1wyn n PRO 143 N 1.90 0.34 -4.22 2.90 -0.04 -1.26 -4.59 135.00 130.02 1wyn n PRO 143 Ca -0.19 0.08 -0.34 0.00 -0.04 0.00 0.00 63.50 63.01 1wyn n PRO 143 Cb 0.55 -1.50 -0.14 0.00 -0.04 0.00 0.00 33.50 32.37 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 -2.30 4.25 -0.18 3.54 0.15 -1.26 -5.01 113.70 112.90 1wyn s SER 144 Ca 0.18 -0.34 -0.15 0.00 0.70 0.00 0.00 55.95 56.34 1wyn s SER 144 Cb 0.10 -1.70 -0.08 0.00 -1.71 0.00 0.00 66.02 62.63 1wyn s SER 144 CO 0.20 0.06 -0.19 -0.24 1.20 0.00 0.00 173.24 174.27 1wyn n SER 145 N 4.26 1.88 0.00 5.45 2.88 -1.26 -5.09 113.62 121.74 1wyn n SER 145 Ca -0.18 0.47 0.00 0.00 -1.33 0.00 0.00 58.87 57.83 1wyn n SER 145 Cb 0.52 -0.84 0.00 0.00 -0.75 0.00 0.00 64.21 63.13 1wyn n SER 145 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42