#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 -0.09 -0.23 1.61 1.04 -1.26 -5.15 113.70 109.63 1wyn s SER 2 Ca 0.00 -0.95 -0.12 0.00 0.48 0.00 0.00 55.95 55.35 1wyn s SER 2 Cb 0.00 0.81 -0.05 0.00 0.10 0.00 0.00 66.02 66.88 1wyn s SER 2 CO 0.00 -1.57 0.24 -0.44 0.98 0.00 0.00 173.24 172.45 1wyn s SER 3 N -3.02 6.23 0.27 7.02 0.01 -1.26 -4.84 113.70 118.11 1wyn s SER 3 Ca 0.14 0.25 0.00 0.00 1.31 0.00 0.00 55.95 57.65 1wyn s SER 3 Cb -0.05 -2.15 0.00 0.00 0.21 0.00 0.00 66.02 64.03 1wyn s SER 3 CO 0.10 0.02 0.00 0.61 0.41 0.00 0.00 173.24 174.38 1wyn n GLY 4 N 4.15 -1.82 3.81 3.44 0.00 -1.26 -5.13 105.19 108.38 1wyn n GLY 4 Ca -0.13 0.41 -0.38 0.00 0.00 0.00 0.00 46.02 45.92 1wyn n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1wyn s SER 5 N -1.55 7.06 -0.30 1.61 1.04 -1.26 -5.06 113.70 115.24 1wyn s SER 5 Ca 0.00 1.28 -0.14 0.00 0.48 0.00 0.00 55.95 57.57 1wyn s SER 5 Cb 0.00 -2.37 0.16 0.00 0.10 0.00 0.00 66.02 63.91 1wyn s SER 5 CO 0.00 0.24 0.92 -0.55 0.98 0.00 0.00 173.24 174.83 1wyn s SER 6 N -1.21 -0.69 0.00 7.02 0.15 -1.26 -5.10 113.70 112.61 1wyn s SER 6 Ca 0.31 0.95 0.00 0.00 0.70 0.00 0.00 55.95 57.91 1wyn s SER 6 Cb -0.19 1.78 0.00 0.00 -1.71 0.00 0.00 66.02 65.90 1wyn s SER 6 CO 0.20 -0.13 0.00 0.61 1.20 0.00 0.00 173.24 175.11 1wyn n GLY 7 N 5.06 -1.69 3.72 9.45 0.00 -1.26 -5.14 105.19 115.34 1wyn n GLY 7 Ca -0.10 0.73 -0.42 0.00 0.00 0.00 0.00 46.02 46.24 1wyn n GLY 7 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1wyn s ASN 8 N 0.00 6.85 -0.01 1.61 0.01 -1.26 -5.02 114.94 117.13 1wyn s ASN 8 Ca 0.00 2.32 0.00 0.00 -0.71 0.00 0.00 52.86 54.47 1wyn s ASN 8 Cb 0.00 -2.59 -0.04 0.00 0.41 0.00 0.00 41.25 39.03 1wyn s ASN 8 CO 0.00 -0.62 0.04 0.00 -1.51 0.00 0.00 177.10 175.01 1wyn s ARG 9 N 0.87 2.93 0.10 -0.60 1.04 -1.26 -5.12 118.95 116.90 1wyn s ARG 9 Ca 0.63 -0.54 0.05 0.00 -1.04 0.00 0.00 55.73 54.82 1wyn s ARG 9 Cb -0.36 -2.77 -0.04 0.00 -2.04 0.00 0.00 34.95 29.74 1wyn s ARG 9 CO 0.32 0.64 -0.00 -0.48 -0.04 0.00 0.00 175.30 175.73 1wyn s LEU 10 N -1.62 3.45 0.00 -1.89 0.05 -1.26 -5.01 118.68 112.40 1wyn s LEU 10 Ca 0.21 -0.19 0.00 0.00 0.05 0.00 0.00 54.13 54.19 1wyn s LEU 10 Cb -0.12 -2.18 0.00 0.00 -2.05 0.00 0.00 46.19 41.84 1wyn s LEU 10 CO 0.12 0.17 0.56 0.00 -0.55 0.00 0.00 176.35 176.64 1wyn n LEU 11 N 0.51 0.84 -4.26 1.48 -0.00 -1.26 -5.08 117.00 109.23 1wyn n LEU 11 Ca -0.11 -0.84 -0.15 0.00 -0.00 0.00 0.00 56.01 54.92 1wyn n LEU 11 Cb 0.52 0.00 -0.10 0.00 -0.00 0.00 0.00 43.42 43.84 1wyn n LEU 11 CO 0.39 0.21 -0.23 -0.44 -0.00 0.00 0.00 177.39 177.33 1wyn s SER 12 N -0.31 0.76 -0.17 1.45 0.01 -1.26 -5.03 113.70 109.15 1wyn s SER 12 Ca 0.00 -1.45 -0.01 0.00 1.31 0.00 0.00 55.95 55.80 1wyn s SER 12 Cb 0.00 0.34 0.08 0.00 0.21 0.00 0.00 66.02 66.66 1wyn s SER 12 CO 0.00 -0.84 2.14 1.17 0.41 0.00 0.00 173.24 176.12 1wyn n LYS 13 N -0.40 1.49 -3.57 12.44 3.00 -1.26 -4.88 118.16 124.97 1wyn n LYS 13 Ca 0.02 -0.87 -0.36 0.00 -0.00 0.00 0.00 58.31 57.09 1wyn n LYS 13 Cb 0.66 -1.39 -0.07 0.00 0.00 0.00 0.00 35.03 34.23 1wyn n LYS 13 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 177.40 176.93 1wyn s TYR 14 N -0.85 3.48 -0.10 5.64 6.14 -1.26 -4.83 117.35 125.57 1wyn s TYR 14 Ca 0.21 0.59 -0.11 0.00 0.64 0.00 0.00 57.07 58.40 1wyn s TYR 14 Cb 0.15 -2.30 0.03 0.00 0.42 0.00 0.00 41.96 40.25 1wyn s TYR 14 CO -0.01 0.30 0.29 0.34 0.64 0.00 0.00 175.55 177.11 1wyn s ASP 15 N 0.28 -0.29 0.00 4.32 2.15 -1.26 -5.02 116.67 116.84 1wyn s ASP 15 Ca 0.16 0.53 0.14 0.00 0.43 0.00 0.00 52.55 53.81 1wyn s ASP 15 Cb -0.13 0.57 0.67 0.00 -0.30 0.00 0.00 42.92 43.72 1wyn s ASP 15 CO 0.04 -0.14 1.43 -0.81 -0.17 0.00 0.00 175.17 175.52 1wyn n PRO 16 N 2.73 0.10 -0.09 4.34 -0.04 -1.26 -2.63 135.00 138.15 1wyn n PRO 16 Ca -0.14 0.21 -0.13 0.00 -0.04 0.00 0.00 63.50 63.39 1wyn n PRO 16 Cb 0.58 -1.50 -0.14 0.00 -0.04 0.00 0.00 33.50 32.39 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 -1.40 0.68 -0.04 0.54 6.02 -1.26 -4.44 117.38 117.48 1wyn n GLN 17 Ca 0.05 0.10 -0.13 0.00 -0.01 0.00 0.00 57.00 57.02 1wyn n GLN 17 Cb 0.14 -1.57 -0.08 0.00 1.02 0.00 0.00 30.24 29.76 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 0.01 0.22 -0.97 -1.09 1.79 -1.92 -3.10 116.57 111.51 1wyn h LYS 18 Ca -0.52 -0.10 0.31 0.00 -2.18 0.00 0.00 60.65 58.17 1wyn h LYS 18 Cb 2.09 -0.01 -0.17 0.00 -1.58 0.00 0.00 32.23 32.57 1wyn h LYS 18 CO 0.00 0.57 0.33 1.49 -1.08 0.00 0.00 179.45 180.77 1wyn h GLU 19 N -0.14 0.11 -0.53 3.15 4.81 -1.74 0.87 114.58 121.11 1wyn h GLU 19 Ca 0.02 -0.01 -0.11 0.00 -0.13 0.00 0.00 59.36 59.13 1wyn h GLU 19 Cb 0.51 -0.03 -0.02 0.00 0.63 0.00 0.00 28.75 29.85 1wyn h GLU 19 CO 0.02 0.07 -0.12 0.00 -0.73 0.00 0.00 179.01 178.25 1wyn h ALA 20 N 1.91 0.79 -0.77 2.92 0.00 -1.76 -2.88 119.26 119.46 1wyn h ALA 20 Ca 0.69 -0.35 0.05 0.00 0.00 0.00 0.00 54.91 55.30 1wyn h ALA 20 Cb 1.58 -0.19 -0.06 0.00 0.00 0.00 0.00 17.79 19.12 1wyn h ALA 20 CO -0.75 0.67 0.47 0.93 0.00 0.00 0.00 179.25 180.57 1wyn h GLU 21 N 0.89 0.85 0.12 0.00 5.08 0.80 -0.78 114.58 121.54 1wyn h GLU 21 Ca 0.14 -0.05 -0.01 0.00 -1.00 0.00 0.00 59.36 58.44 1wyn h GLU 21 Cb 0.68 -0.19 0.00 0.00 0.50 0.00 0.00 28.75 29.74 1wyn h GLU 21 CO 0.05 0.56 -0.06 -0.07 -1.00 0.00 0.00 179.01 178.49 1wyn h LEU 22 N 0.87 -0.13 -1.13 1.33 3.38 -1.21 -0.40 115.31 118.02 1wyn h LEU 22 Ca 0.33 0.00 0.34 0.00 0.09 0.00 0.00 57.88 58.65 1wyn h LEU 22 Cb 0.14 0.03 -0.14 0.00 0.09 0.00 0.00 40.66 40.79 1wyn h LEU 22 CO -0.16 -0.08 0.64 0.08 0.09 0.00 0.00 178.44 179.00 1wyn h ARG 23 N -0.17 0.26 -0.01 1.13 0.11 -1.50 1.44 114.38 115.64 1wyn h ARG 23 Ca -0.02 -0.02 -0.11 0.00 0.10 0.00 0.00 59.98 59.94 1wyn h ARG 23 Cb 0.12 -0.06 -0.01 0.00 1.11 0.00 0.00 29.97 31.12 1wyn h ARG 23 CO 0.03 0.18 -0.50 1.15 0.10 0.00 0.00 179.97 180.92 1wyn h THR 24 N 0.27 1.36 0.00 0.08 2.02 -1.05 0.30 112.91 115.89 1wyn h THR 24 Ca 0.74 -1.72 -0.23 0.00 0.77 0.00 0.00 66.41 65.96 1wyn h THR 24 Cb 1.86 1.92 -0.04 0.00 -1.74 0.00 0.00 68.15 70.15 1wyn h THR 24 CO -0.53 0.49 -1.25 -0.25 0.37 0.00 0.00 175.52 174.35 1wyn h TRP 25 N 0.02 0.00 0.00 3.16 7.01 0.35 -3.31 115.95 123.18 1wyn h TRP 25 Ca -0.00 0.00 -0.08 0.00 2.11 0.00 0.00 58.89 60.91 1wyn h TRP 25 Cb 0.89 0.00 -0.01 0.00 -2.10 0.00 0.00 29.16 27.94 1wyn h TRP 25 CO 0.00 0.97 -0.45 0.82 -2.79 0.00 0.00 178.44 176.98 1wyn h ILE 26 N 0.00 1.44 -0.92 2.65 2.04 -0.06 -3.10 117.51 119.56 1wyn h ILE 26 Ca -0.11 -2.25 0.26 0.00 1.00 0.00 0.00 64.86 63.75 1wyn h ILE 26 Cb 1.84 2.89 -0.14 0.00 -0.74 0.00 0.00 36.82 40.67 1wyn h ILE 26 CO 0.11 0.49 0.33 -0.33 0.00 0.00 0.00 178.15 178.75 1wyn h GLU 27 N -1.00 0.24 -0.04 2.37 5.08 -0.57 0.42 114.58 121.09 1wyn h GLU 27 Ca -0.12 -0.01 -0.18 0.00 -1.00 0.00 0.00 59.36 58.04 1wyn h GLU 27 Cb 1.09 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 30.27 1wyn h GLU 27 CO -0.08 0.16 -0.75 0.78 -1.00 0.00 0.00 179.01 178.12 1wyn h GLY 28 N 0.25 0.28 0.84 -3.84 0.00 -1.70 1.00 103.07 99.90 1wyn h GLY 28 Ca 0.60 -0.42 -0.03 0.00 0.00 0.00 0.00 47.33 47.48 1wyn h GLY 28 CO -0.64 0.37 -0.30 1.41 0.00 0.00 0.00 176.54 177.38 1wyn h LEU 29 N 0.17 -0.72 0.03 3.11 3.38 -0.15 -3.30 115.31 117.82 1wyn h LEU 29 Ca -0.03 -0.02 -0.27 0.00 0.09 0.00 0.00 57.88 57.66 1wyn h LEU 29 Cb 1.32 0.19 -0.03 0.00 0.09 0.00 0.00 40.66 42.23 1wyn h LEU 29 CO 0.12 -0.41 -1.42 0.71 0.09 0.00 0.00 178.44 177.53 1wyn h THR 30 N -1.03 1.22 0.00 0.22 1.35 -1.24 -3.48 112.91 109.95 1wyn h THR 30 Ca -0.09 -2.97 0.00 0.00 -0.55 0.00 0.00 66.41 62.80 1wyn h THR 30 Cb 0.70 2.65 0.00 0.00 -1.73 0.00 0.00 68.15 69.76 1wyn h THR 30 CO 0.14 0.74 0.00 0.61 -0.25 0.00 0.00 175.52 176.76 1wyn n GLY 31 N 1.51 0.59 2.07 5.82 0.00 0.35 -5.05 105.19 110.48 1wyn n GLY 31 Ca -0.11 -0.32 -0.11 0.00 0.00 0.00 0.00 46.02 45.48 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 -4.12 0.99 4.77 -1.18 -4.98 117.00 112.48 1wyn n LEU 32 Ca 0.00 -1.27 -0.28 0.00 -0.03 0.00 0.00 56.01 54.43 1wyn n LEU 32 Cb 0.00 -0.26 -0.17 0.00 -2.33 0.00 0.00 43.42 40.66 1wyn n LEU 32 CO 0.00 -0.66 -0.51 -0.44 -1.33 0.00 0.00 177.39 174.45 1wyn s SER 33 N -2.99 2.43 0.02 -1.43 0.01 -1.26 -4.67 113.70 105.80 1wyn s SER 33 Ca 0.33 -0.43 -0.10 0.00 1.31 0.00 0.00 55.95 57.06 1wyn s SER 33 Cb -0.02 -1.12 -0.32 0.00 0.21 0.00 0.00 66.02 64.77 1wyn s SER 33 CO 0.21 0.09 0.93 0.40 0.41 0.00 0.00 173.24 175.28 1wyn h ILE 34 N 5.84 1.22 0.00 1.44 2.04 -1.92 -3.49 117.51 122.65 1wyn h ILE 34 Ca -0.25 -2.75 0.00 0.00 1.00 0.00 0.00 64.86 62.86 1wyn h ILE 34 Cb 1.21 2.91 0.00 0.00 -0.74 0.00 0.00 36.82 40.20 1wyn h ILE 34 CO 0.47 0.84 0.00 0.61 0.00 0.00 0.00 178.15 180.07 1wyn n GLY 35 N 1.70 -0.99 0.00 5.37 0.00 -1.26 -3.79 105.19 106.22 1wyn n GLY 35 Ca -0.17 -2.21 0.07 0.00 0.00 0.00 0.00 46.02 43.71 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 -0.20 0.19 -4.10 1.61 -0.04 -1.26 -4.64 135.00 126.57 1wyn n PRO 36 Ca 0.00 0.15 -0.16 0.00 -0.04 0.00 0.00 63.50 63.45 1wyn n PRO 36 Cb 0.00 -1.50 -0.15 0.00 -0.04 0.00 0.00 33.50 31.81 1wyn n PRO 36 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1wyn s ASP 37 N -2.60 0.58 -0.08 3.54 1.11 -1.26 -5.07 116.67 112.88 1wyn s ASP 37 Ca 0.13 -0.08 -0.02 0.00 0.18 0.00 0.00 52.55 52.76 1wyn s ASP 37 Cb 0.10 -0.15 -0.01 0.00 1.07 0.00 0.00 42.92 43.93 1wyn s ASP 37 CO 0.23 0.01 0.08 0.15 1.18 0.00 0.00 175.17 176.82 1wyn h PHE 38 N 6.42 -0.06 -0.78 4.23 3.57 -1.89 -1.89 116.94 126.55 1wyn h PHE 38 Ca -0.32 -0.00 0.13 0.00 3.53 0.00 0.00 57.97 61.31 1wyn h PHE 38 Cb 1.18 0.02 -0.14 0.00 2.79 0.00 0.00 35.95 39.80 1wyn h PHE 38 CO 0.44 -0.04 -0.33 0.37 -2.23 0.00 0.00 178.31 176.52 1wyn h GLN 39 N -0.92 -0.07 0.36 1.11 -0.00 -1.97 -0.42 115.11 113.19 1wyn h GLN 39 Ca -0.01 0.00 -0.02 0.00 -0.00 0.00 0.00 58.65 58.63 1wyn h GLN 39 Cb 0.05 0.02 0.00 0.00 0.00 0.00 0.00 27.48 27.55 1wyn h GLN 39 CO 0.01 -0.05 -0.17 0.87 0.00 0.00 0.00 178.83 179.49 1wyn h LYS 40 N -0.07 -0.47 -1.58 1.69 6.56 -1.91 0.74 116.57 121.54 1wyn h LYS 40 Ca 0.31 0.03 0.46 0.00 -1.06 0.00 0.00 60.65 60.39 1wyn h LYS 40 Cb 0.58 0.11 -0.06 0.00 -0.57 0.00 0.00 32.23 32.28 1wyn h LYS 40 CO -0.82 -0.31 1.20 0.41 -2.06 0.00 0.00 179.45 177.86 1wyn n GLY 41 N -0.25 -0.82 0.11 3.86 0.00 -0.71 0.18 105.19 107.56 1wyn n GLY 41 Ca -0.06 0.55 -0.12 0.00 0.00 0.00 0.00 46.02 46.39 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 -3.54 0.88 0.00 0.99 4.77 -0.20 -4.62 117.00 115.29 1wyn n LEU 42 Ca 0.35 -0.04 0.00 0.00 -0.03 0.00 0.00 56.01 56.29 1wyn n LEU 42 Cb 1.67 0.08 0.00 0.00 -2.33 0.00 0.00 43.42 42.84 1wyn n LEU 42 CO 0.35 0.63 0.42 1.17 -1.33 0.00 0.00 177.39 178.64 1wyn n LYS 43 N -2.90 0.00 -0.42 3.23 4.81 0.47 0.13 118.16 123.49 1wyn n LYS 43 Ca -0.37 0.85 0.34 0.00 -0.87 0.00 0.00 58.31 58.26 1wyn n LYS 43 Cb 1.11 -1.29 0.55 0.00 0.02 0.00 0.00 35.03 35.42 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 -2.72 0.10 -1.06 3.14 2.03 -1.20 -4.73 116.55 112.11 1wyn n ASP 44 Ca 0.00 0.92 -0.01 0.00 0.52 0.00 0.00 54.79 56.22 1wyn n ASP 44 Cb 0.00 -0.45 0.00 0.00 -0.72 0.00 0.00 41.12 39.95 1wyn n ASP 44 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1wyn n GLY 45 N -1.50 0.45 0.33 0.27 0.00 0.36 -4.32 105.19 100.78 1wyn n GLY 45 Ca 0.31 -0.47 -0.21 0.00 0.00 0.00 0.00 46.02 45.65 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 -1.24 1.22 -0.01 2.61 -2.24 -1.26 -4.60 114.28 108.76 1wyn n THR 46 Ca -0.01 -0.24 -0.08 0.00 -2.27 0.00 0.00 64.05 61.46 1wyn n THR 46 Cb 0.51 -1.84 -0.06 0.00 -2.10 0.00 0.00 70.33 66.83 1wyn n THR 46 CO 0.00 0.00 0.00 0.40 -0.57 0.00 0.00 175.07 174.90 1wyn h ILE 47 N -0.77 0.74 -0.62 2.28 2.04 -1.88 -3.30 117.51 115.99 1wyn h ILE 47 Ca -0.48 -1.38 0.21 0.00 1.00 0.00 0.00 64.86 64.21 1wyn h ILE 47 Cb 1.39 1.35 -0.11 0.00 -0.74 0.00 0.00 36.82 38.71 1wyn h ILE 47 CO -0.29 0.23 0.15 0.18 0.00 0.00 0.00 178.15 178.43 1wyn n LEU 48 N -4.80 0.05 0.43 1.44 4.77 -1.26 0.67 117.00 118.30 1wyn n LEU 48 Ca -0.05 1.05 -0.17 0.00 -0.03 0.00 0.00 56.01 56.80 1wyn n LEU 48 Cb 0.22 -0.44 -0.08 0.00 -2.33 0.00 0.00 43.42 40.80 1wyn n LEU 48 CO 0.18 -1.11 0.47 0.00 -1.33 0.00 0.00 177.39 175.60 1wyn h THR 50 N -1.22 0.46 -0.99 0.00 1.35 0.16 -1.22 112.91 111.45 1wyn h THR 50 Ca -0.11 0.00 0.20 0.00 -0.55 0.00 0.00 66.41 65.95 1wyn h THR 50 Cb 0.84 0.46 -0.19 0.00 -1.73 0.00 0.00 68.15 67.54 1wyn h THR 50 CO 0.19 0.00 -0.24 0.25 -0.25 0.00 0.00 175.52 175.47 1wyn h LEU 51 N -0.02 -0.90 0.39 3.87 5.85 -1.08 0.10 115.31 123.52 1wyn h LEU 51 Ca 0.24 0.30 -0.02 0.00 0.84 0.00 0.00 57.88 59.24 1wyn h LEU 51 Cb 0.39 0.61 0.00 0.00 0.37 0.00 0.00 40.66 42.03 1wyn h LEU 51 CO -0.53 -0.33 -0.19 -0.03 -0.34 0.00 0.00 178.44 177.02 1wyn h MET 52 N 0.00 -0.50 -1.28 1.25 4.05 -1.18 -2.82 114.93 114.45 1wyn h MET 52 Ca 0.48 0.03 0.39 0.00 -0.28 0.00 0.00 59.70 60.32 1wyn h MET 52 Cb 0.75 0.11 -0.10 0.00 -0.80 0.00 0.00 31.60 31.56 1wyn h MET 52 CO -1.02 -0.23 0.85 -0.91 0.23 0.00 0.00 176.91 175.83 1wyn h ASN 53 N -0.72 0.25 -0.33 1.39 2.35 -0.43 0.58 115.58 118.67 1wyn h ASN 53 Ca -0.05 0.09 -0.02 0.00 -0.55 0.00 0.00 56.30 55.77 1wyn h ASN 53 Cb 0.50 0.07 -0.01 0.00 0.05 0.00 0.00 38.32 38.92 1wyn h ASN 53 CO 0.09 -0.06 0.14 0.11 -1.65 0.00 0.00 177.43 176.06 1wyn h LYS 54 N 0.15 0.49 -0.02 0.81 1.79 -0.88 -3.20 116.57 115.71 1wyn h LYS 54 Ca 0.73 -0.08 -0.09 0.00 -2.18 0.00 0.00 60.65 59.03 1wyn h LYS 54 Cb 2.33 -0.08 0.01 0.00 -1.58 0.00 0.00 32.23 32.90 1wyn h LYS 54 CO -0.29 0.47 -0.33 -0.07 -1.08 0.00 0.00 179.45 178.15 1wyn h LEU 55 N 0.39 0.32 -8.46 2.94 3.38 0.01 -3.44 115.31 110.46 1wyn h LEU 55 Ca 0.11 -0.74 -0.66 0.00 0.09 0.00 0.00 57.88 56.69 1wyn h LEU 55 Cb 0.16 -0.10 -0.28 0.00 0.09 0.00 0.00 40.66 40.53 1wyn h LEU 55 CO -0.01 1.01 -0.77 -1.58 0.09 0.00 0.00 178.44 177.18 1wyn s GLN 56 N -3.29 3.32 0.00 1.13 0.74 0.72 -4.98 119.66 117.29 1wyn s GLN 56 Ca -0.15 -0.69 0.10 0.00 0.05 0.00 0.00 55.36 54.67 1wyn s GLN 56 Cb 0.02 -2.74 0.62 0.00 1.10 0.00 0.00 33.01 32.01 1wyn s GLN 56 CO 0.76 0.02 1.06 -0.35 -0.55 0.00 0.00 175.29 176.23 1wyn n PRO 57 N 4.08 0.49 -2.80 1.67 -0.04 -1.25 -3.43 135.00 133.73 1wyn n PRO 57 Ca -0.19 0.00 -0.10 0.00 -0.04 0.00 0.00 63.50 63.17 1wyn n PRO 57 Cb 0.52 -1.33 0.07 0.00 -0.04 0.00 0.00 33.50 32.71 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 1.47 0.12 0.55 0.00 -1.26 -5.00 105.19 101.05 1wyn n GLY 58 Ca 0.08 -0.50 -0.05 0.00 0.00 0.00 0.00 46.02 45.55 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 0.03 1.10 -4.68 1.61 3.41 -1.22 -4.97 113.62 108.90 1wyn n SER 59 Ca 0.07 0.18 -0.35 0.00 -0.26 0.00 0.00 58.87 58.51 1wyn n SER 59 Cb 0.75 -0.61 -0.09 0.00 -0.26 0.00 0.00 64.21 64.00 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 -2.07 5.22 -0.02 -3.33 1.01 -1.26 -4.68 120.40 115.26 1wyn s VAL 60 Ca -0.16 0.12 -0.25 0.00 0.00 0.00 0.00 61.98 61.70 1wyn s VAL 60 Cb 0.02 -3.39 -0.19 0.00 0.00 0.00 0.00 36.38 32.82 1wyn s VAL 60 CO 0.23 0.41 1.21 1.55 0.00 0.00 0.00 175.10 178.50 1wyn h PRO 61 N 6.99 -0.09 -2.95 2.72 0.13 -1.93 -3.48 132.00 133.40 1wyn h PRO 61 Ca -0.39 0.01 -0.08 0.00 -0.87 0.00 0.00 66.00 64.66 1wyn h PRO 61 Cb 1.16 0.02 -0.17 0.00 0.13 0.00 0.00 31.00 32.14 1wyn h PRO 61 CO 0.71 0.37 -0.10 0.21 -0.23 0.00 0.00 178.00 178.95 1wyn s LYS 62 N -4.20 0.90 -0.18 0.86 2.36 -1.26 -5.16 119.74 113.07 1wyn s LYS 62 Ca -0.15 -0.29 -0.04 0.00 -2.55 0.00 0.00 55.97 52.94 1wyn s LYS 62 Cb 0.02 0.40 -0.02 0.00 -1.05 0.00 0.00 37.83 37.18 1wyn s LYS 62 CO 0.63 -0.30 -0.03 0.42 1.55 0.00 0.00 175.35 177.62 1wyn s ILE 63 N -2.23 3.79 -0.49 5.43 1.01 -1.26 -4.94 121.20 122.52 1wyn s ILE 63 Ca -0.07 -0.38 -0.26 0.00 0.00 0.00 0.00 60.65 59.95 1wyn s ILE 63 Cb -0.01 -2.68 0.03 0.00 0.01 0.00 0.00 42.46 39.80 1wyn s ILE 63 CO -0.01 0.46 0.97 0.20 0.00 0.00 0.00 174.94 176.56 1wyn s ASN 64 N 0.73 6.48 -0.57 3.58 0.01 -1.26 -4.91 114.94 118.99 1wyn s ASN 64 Ca -0.01 0.07 -0.02 0.00 -0.71 0.00 0.00 52.86 52.19 1wyn s ASN 64 Cb -0.14 -2.46 0.33 0.00 0.41 0.00 0.00 41.25 39.39 1wyn s ASN 64 CO 0.02 -1.13 2.10 0.54 -1.51 0.00 0.00 177.10 177.12 1wyn n ARG 65 N 7.37 2.41 -4.28 -0.60 1.74 -1.26 -4.76 116.66 117.28 1wyn n ARG 65 Ca 0.06 -2.73 -0.31 0.00 -0.77 0.00 0.00 57.85 54.10 1wyn n ARG 65 Cb 0.48 -2.08 -0.09 0.00 -1.02 0.00 0.00 32.46 29.75 1wyn n ARG 65 CO 0.00 0.00 0.00 -1.12 -1.52 0.00 0.00 177.63 174.99 1wyn s SER 66 N -0.96 4.75 -0.20 0.55 0.01 -1.26 -5.01 113.70 111.58 1wyn s SER 66 Ca 0.53 -0.20 -0.02 0.00 1.31 0.00 0.00 55.95 57.57 1wyn s SER 66 Cb 0.41 -1.08 0.04 0.00 0.21 0.00 0.00 66.02 65.60 1wyn s SER 66 CO -0.08 0.22 2.42 0.23 0.41 0.00 0.00 173.24 176.45 1wyn n MET 67 N 1.03 1.72 -4.27 12.44 2.81 -1.26 -4.55 117.12 125.03 1wyn n MET 67 Ca -0.13 -1.17 -0.23 0.00 -1.81 0.00 0.00 57.70 54.35 1wyn n MET 67 Cb 0.52 -1.60 -0.07 0.00 -0.71 0.00 0.00 33.22 31.36 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 -0.81 2.35 -0.01 0.03 -1.52 -1.26 -5.06 119.66 113.37 1wyn s GLN 68 Ca 0.33 -1.35 -0.12 0.00 -1.95 0.00 0.00 55.36 52.28 1wyn s GLN 68 Cb 0.21 -2.21 -0.07 0.00 -0.22 0.00 0.00 33.01 30.72 1wyn s GLN 68 CO -0.04 0.38 0.71 -0.91 -0.25 0.00 0.00 175.29 175.18 1wyn h ASN 69 N 1.98 -0.36 -0.76 5.90 4.21 -2.00 -2.45 115.58 122.10 1wyn h ASN 69 Ca -0.45 0.01 0.13 0.00 1.21 0.00 0.00 56.30 57.20 1wyn h ASN 69 Cb 1.24 0.09 -0.14 0.00 -1.12 0.00 0.00 38.32 38.40 1wyn h ASN 69 CO 0.60 -0.12 -0.34 4.11 -1.29 0.00 0.00 177.43 180.39 1wyn h TRP 70 N -0.70 -0.92 0.20 1.19 0.09 -1.98 -0.80 115.95 113.03 1wyn h TRP 70 Ca -0.04 0.08 0.00 0.00 0.09 0.00 0.00 58.89 59.02 1wyn h TRP 70 Cb 0.33 0.52 -0.03 0.00 0.08 0.00 0.00 29.16 30.05 1wyn h TRP 70 CO 0.05 -0.39 -0.38 0.45 0.09 0.00 0.00 178.44 178.26 1wyn h HIS 71 N -0.08 -1.08 -0.92 0.12 3.86 -1.92 -0.90 115.15 114.23 1wyn h HIS 71 Ca 0.29 0.02 0.26 0.00 -1.16 0.00 0.00 60.37 59.78 1wyn h HIS 71 Cb 0.57 0.45 -0.16 0.00 1.06 0.00 0.00 27.41 29.33 1wyn h HIS 71 CO -0.72 -0.46 0.15 1.96 0.86 0.00 0.00 177.93 179.72 1wyn h GLN 72 N -0.63 0.10 0.26 2.45 4.20 -0.81 0.13 115.11 120.82 1wyn h GLN 72 Ca -0.02 -0.01 -0.01 0.00 0.06 0.00 0.00 58.65 58.67 1wyn h GLN 72 Cb 0.59 -0.02 0.00 0.00 0.30 0.00 0.00 27.48 28.35 1wyn h GLN 72 CO -0.14 0.06 -0.13 -0.07 -0.67 0.00 0.00 178.83 177.88 1wyn h LEU 73 N 0.10 -0.31 -0.90 1.46 -0.00 -0.52 -2.70 115.31 112.44 1wyn h LEU 73 Ca 0.58 0.01 0.25 0.00 -0.00 0.00 0.00 57.88 58.72 1wyn h LEU 73 Cb 1.21 0.08 -0.14 0.00 -0.00 0.00 0.00 40.66 41.81 1wyn h LEU 73 CO -0.77 -0.22 0.28 -0.08 -0.00 0.00 0.00 178.44 177.65 1wyn h GLU 74 N -0.36 0.22 -0.21 1.13 4.57 0.63 -0.15 114.58 120.41 1wyn h GLU 74 Ca -0.03 -0.01 0.05 0.00 -1.18 0.00 0.00 59.36 58.18 1wyn h GLU 74 Cb 0.28 -0.05 -0.07 0.00 -0.16 0.00 0.00 28.75 28.75 1wyn h GLU 74 CO 0.06 0.15 -0.42 -0.91 -1.18 0.00 0.00 179.01 176.70 1wyn h ASN 75 N 0.23 -1.35 0.23 1.04 2.35 -1.09 0.24 115.58 117.22 1wyn h ASN 75 Ca 0.58 0.19 -0.01 0.00 -0.55 0.00 0.00 56.30 56.50 1wyn h ASN 75 Cb 1.18 0.56 0.00 0.00 0.05 0.00 0.00 38.32 40.12 1wyn h ASN 75 CO -0.65 -0.41 -0.11 -0.07 -1.65 0.00 0.00 177.43 174.54 1wyn h LEU 76 N -0.44 -0.26 -1.33 1.61 3.38 -1.10 -1.00 115.31 116.17 1wyn h LEU 76 Ca 0.09 -0.07 0.25 0.00 0.09 0.00 0.00 57.88 58.24 1wyn h LEU 76 Cb 0.61 0.07 -0.09 0.00 0.09 0.00 0.00 40.66 41.34 1wyn h LEU 76 CO -0.45 -0.10 0.65 -1.28 0.09 0.00 0.00 178.44 177.36 1wyn h SER 77 N -0.40 0.49 -0.08 -0.43 0.87 -0.78 0.32 113.55 113.54 1wyn h SER 77 Ca -0.03 0.08 -0.16 0.00 -1.23 0.00 0.00 61.79 60.44 1wyn h SER 77 Cb 0.31 -0.00 0.01 0.00 -0.44 0.00 0.00 62.40 62.27 1wyn h SER 77 CO 0.05 0.12 -0.59 0.78 -0.53 0.00 0.00 176.83 176.66 1wyn h ASN 78 N 0.45 0.66 -0.48 6.23 2.35 -0.18 -3.02 115.58 121.59 1wyn h ASN 78 Ca 0.57 -0.67 -0.07 0.00 -0.55 0.00 0.00 56.30 55.59 1wyn h ASN 78 Cb 1.36 -0.20 -0.02 0.00 0.05 0.00 0.00 38.32 39.51 1wyn h ASN 78 CO -0.29 1.23 0.07 0.15 -1.65 0.00 0.00 177.43 176.94 1wyn h PHE 79 N 0.15 0.91 0.66 1.19 3.57 0.44 -2.66 116.94 121.20 1wyn h PHE 79 Ca -0.05 -0.11 -0.03 0.00 3.53 0.00 0.00 57.97 61.31 1wyn h PHE 79 Cb 1.25 -0.26 0.01 0.00 2.79 0.00 0.00 35.95 39.74 1wyn h PHE 79 CO 0.12 0.79 -0.32 0.82 -2.23 0.00 0.00 178.31 177.49 1wyn h ILE 80 N 0.82 0.00 -0.86 1.41 2.04 -0.51 -2.41 117.51 118.00 1wyn h ILE 80 Ca 0.17 -0.00 0.25 0.00 1.00 0.00 0.00 64.86 66.28 1wyn h ILE 80 Cb 0.39 0.00 -0.03 0.00 -0.74 0.00 0.00 36.82 36.43 1wyn h ILE 80 CO 0.01 0.00 0.68 0.07 0.00 0.00 0.00 178.15 178.91 1wyn h LYS 81 N -0.89 0.00 -0.36 2.37 2.10 -1.55 0.16 116.57 118.40 1wyn h LYS 81 Ca -0.09 0.00 -0.05 0.00 -2.00 0.00 0.00 60.65 58.50 1wyn h LYS 81 Cb 0.68 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 32.00 1wyn h LYS 81 CO 0.15 0.00 0.01 0.00 -2.00 0.00 0.00 179.45 177.61 1wyn h ALA 82 N 1.45 0.48 -0.26 0.07 0.00 -1.09 -3.13 119.26 116.79 1wyn h ALA 82 Ca 0.41 -0.24 0.03 0.00 0.00 0.00 0.00 54.91 55.11 1wyn h ALA 82 Cb 1.77 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 19.39 1wyn h ALA 82 CO -0.00 0.24 0.06 0.52 0.00 0.00 0.00 179.25 180.07 1wyn h MET 83 N 0.45 0.16 -1.03 0.00 2.86 -0.21 -1.77 114.93 115.38 1wyn h MET 83 Ca 0.10 -0.01 0.26 0.00 -2.06 0.00 0.00 59.70 57.99 1wyn h MET 83 Cb 0.44 -0.04 -0.11 0.00 0.06 0.00 0.00 31.60 31.96 1wyn h MET 83 CO 0.02 0.10 0.64 0.28 1.06 0.00 0.00 176.91 179.01 1wyn h VAL 84 N 0.16 0.52 -0.24 -2.22 2.07 -1.47 0.11 116.25 115.18 1wyn h VAL 84 Ca 0.12 -0.16 -0.13 0.00 0.82 0.00 0.00 66.70 67.35 1wyn h VAL 84 Cb 0.11 0.01 -0.00 0.00 -1.52 0.00 0.00 31.29 29.89 1wyn h VAL 84 CO -0.15 0.09 -0.36 -1.28 0.02 0.00 0.00 177.57 175.89 1wyn h SER 85 N 0.47 0.73 -1.00 0.57 0.87 -1.31 -3.14 113.55 110.74 1wyn h SER 85 Ca 0.62 -0.52 0.19 0.00 -1.23 0.00 0.00 61.79 60.85 1wyn h SER 85 Cb 1.41 -0.21 -0.10 0.00 -0.44 0.00 0.00 62.40 63.06 1wyn h SER 85 CO -0.38 1.11 0.61 0.22 -0.53 0.00 0.00 176.83 177.87 1wyn h TYR 86 N 0.38 1.02 0.00 2.24 3.20 -0.26 -3.45 116.97 120.10 1wyn h TYR 86 Ca 0.02 0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.93 1wyn h TYR 86 Cb 0.95 -0.31 0.00 0.00 1.54 0.00 0.00 36.73 38.91 1wyn h TYR 86 CO 0.08 0.24 0.00 0.41 -1.64 0.00 0.00 178.16 177.26 1wyn n GLY 87 N -1.35 0.84 3.96 1.82 0.00 -0.98 -5.13 105.19 104.36 1wyn n GLY 87 Ca 0.23 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 46.03 1wyn n GLY 87 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1wyn s MET 88 N 0.00 3.33 0.54 1.61 -1.94 -1.20 -5.06 119.30 116.58 1wyn s MET 88 Ca 0.00 -0.65 -0.11 0.00 -1.71 0.00 0.00 55.69 53.22 1wyn s MET 88 Cb 0.00 -2.76 -0.05 0.00 2.01 0.00 0.00 34.83 34.03 1wyn s MET 88 CO 0.00 0.16 0.93 -0.80 -0.01 0.00 0.00 175.02 175.31 1wyn s ASN 89 N -4.07 6.34 0.00 3.03 -0.87 -1.26 -4.77 114.94 113.34 1wyn s ASN 89 Ca 0.40 1.30 0.15 0.00 -1.57 0.00 0.00 52.86 53.13 1wyn s ASN 89 Cb -0.09 -2.41 0.75 0.00 -0.02 0.00 0.00 41.25 39.48 1wyn s ASN 89 CO 0.33 -0.69 1.40 -0.81 -2.57 0.00 0.00 177.10 174.75 1wyn n PRO 90 N -2.24 0.22 0.00 -0.60 -0.04 -1.26 -1.91 135.00 129.16 1wyn n PRO 90 Ca 0.04 0.14 0.07 0.00 -0.04 0.00 0.00 63.50 63.71 1wyn n PRO 90 Cb 0.54 -1.50 -0.05 0.00 -0.04 0.00 0.00 33.50 32.45 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 -1.27 0.00 -0.90 0.52 0.24 -1.26 -4.36 118.33 111.29 1wyn n VAL 91 Ca 0.07 -0.25 0.07 0.00 -2.04 0.00 0.00 64.34 62.20 1wyn n VAL 91 Cb 0.11 1.07 0.41 0.00 -1.47 0.00 0.00 33.84 33.96 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 -0.87 5.77 -4.91 -1.34 9.92 -0.81 -4.95 116.55 119.37 1wyn n ASP 92 Ca 0.04 -2.94 -0.26 0.00 -0.53 0.00 0.00 54.79 51.10 1wyn n ASP 92 Cb 0.25 -0.69 -0.00 0.00 -0.64 0.00 0.00 41.12 40.04 1wyn n ASP 92 CO 0.00 0.00 0.00 -0.76 0.13 0.00 0.00 177.20 176.57 1wyn s LEU 93 N -2.77 2.72 0.06 0.64 1.43 -1.25 -4.14 118.68 115.38 1wyn s LEU 93 Ca 0.55 -1.23 -0.11 0.00 -1.03 0.00 0.00 54.13 52.31 1wyn s LEU 93 Cb 0.42 -1.21 0.01 0.00 0.03 0.00 0.00 46.19 45.44 1wyn s LEU 93 CO 0.16 -1.12 0.25 0.72 0.23 0.00 0.00 176.35 176.60 1wyn s PHE 94 N -2.77 -0.00 0.39 0.29 -0.12 -1.26 -4.79 117.98 109.71 1wyn s PHE 94 Ca 0.35 -0.26 -0.11 0.00 -0.05 0.00 0.00 56.93 56.87 1wyn s PHE 94 Cb -0.02 0.04 -0.07 0.00 -0.63 0.00 0.00 43.02 42.34 1wyn s PHE 94 CO 0.22 -0.52 0.75 -1.21 -0.05 0.00 0.00 175.22 174.41 1wyn s GLU 95 N -3.06 3.80 0.31 1.99 2.02 -1.26 -4.95 118.70 117.55 1wyn s GLU 95 Ca -0.01 0.46 0.00 0.00 0.02 0.00 0.00 54.97 55.44 1wyn s GLU 95 Cb 0.01 -2.41 0.52 0.00 0.10 0.00 0.00 34.13 32.35 1wyn s GLU 95 CO -0.07 0.00 1.95 0.00 0.02 0.00 0.00 175.26 177.17 1wyn h ALA 96 N 1.41 1.49 -0.46 5.21 0.00 -1.93 -2.31 119.26 122.67 1wyn h ALA 96 Ca -0.47 -0.04 -0.04 0.00 0.00 0.00 0.00 54.91 54.36 1wyn h ALA 96 Cb 1.19 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 18.67 1wyn h ALA 96 CO 0.64 0.42 0.13 -2.95 0.00 0.00 0.00 179.25 177.49 1wyn h ASN 97 N 1.03 0.69 -0.92 0.00 7.08 -1.97 0.06 115.58 121.55 1wyn h ASN 97 Ca 0.33 -0.22 0.29 0.00 -3.08 0.00 0.00 56.30 53.62 1wyn h ASN 97 Cb 0.04 -0.18 -0.17 0.00 -2.08 0.00 0.00 38.32 35.93 1wyn h ASN 97 CO -0.10 0.73 0.16 0.47 -2.08 0.00 0.00 177.43 176.60 1wyn n ASP 98 N -4.52 0.02 -0.10 6.14 8.00 -0.87 -0.67 116.55 124.55 1wyn n ASP 98 Ca 0.01 1.56 -0.17 0.00 0.71 0.00 0.00 54.79 56.90 1wyn n ASP 98 Cb 0.20 -0.62 -0.08 0.00 -0.02 0.00 0.00 41.12 40.60 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 -5.28 1.86 -0.23 0.64 7.94 -1.13 -0.06 117.00 120.73 1wyn n LEU 99 Ca 0.26 0.47 -0.06 0.00 -1.11 0.00 0.00 56.01 55.57 1wyn n LEU 99 Cb 0.85 -0.91 -0.06 0.00 0.53 0.00 0.00 43.42 43.84 1wyn n LEU 99 CO -0.05 0.05 0.49 0.15 -1.11 0.00 0.00 177.39 176.92 1wyn h PHE 100 N -1.00 -1.06 -0.91 1.96 3.57 -0.29 -0.28 116.94 118.92 1wyn h PHE 100 Ca -0.26 0.07 -0.60 0.00 3.53 0.00 0.00 57.97 60.71 1wyn h PHE 100 Cb 1.08 0.54 -0.30 0.00 2.79 0.00 0.00 35.95 40.05 1wyn h PHE 100 CO -0.05 -0.21 0.49 0.39 -2.23 0.00 0.00 178.31 176.70 1wyn n GLU 101 N -4.26 2.73 -1.78 1.11 -0.58 0.15 -4.88 120.64 113.14 1wyn n GLU 101 Ca 0.01 -3.40 0.00 0.00 -0.42 0.00 0.00 57.16 53.35 1wyn n GLU 101 Cb 0.15 -2.24 0.00 0.00 -0.57 0.00 0.00 31.44 28.77 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 -0.93 -0.52 0.15 1.62 3.41 -0.12 -4.66 113.62 112.58 1wyn n SER 102 Ca 0.57 0.26 0.08 0.00 -0.26 0.00 0.00 58.87 59.53 1wyn n SER 102 Cb 0.87 -0.76 0.45 0.00 -0.26 0.00 0.00 64.21 64.51 1wyn n SER 102 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1wyn n GLY 103 N -0.26 -0.73 3.19 5.00 0.00 0.62 -4.39 105.19 108.61 1wyn n GLY 103 Ca 0.00 0.15 0.05 0.00 0.00 0.00 0.00 46.02 46.22 1wyn n GLY 103 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1wyn s ASN 104 N -3.68 -0.29 -0.01 1.61 3.84 0.91 -4.77 114.94 112.55 1wyn s ASN 104 Ca -0.02 0.24 0.19 0.00 0.21 0.00 0.00 52.86 53.49 1wyn s ASN 104 Cb 0.05 1.27 -0.23 0.00 -0.55 0.00 0.00 41.25 41.79 1wyn s ASN 104 CO 0.15 -0.05 0.73 0.23 -2.79 0.00 0.00 177.10 175.36 1wyn n MET 105 N 5.22 0.70 0.05 0.43 2.81 -1.26 -4.05 117.12 121.01 1wyn n MET 105 Ca -0.08 -0.04 -0.05 0.00 -1.81 0.00 0.00 57.70 55.72 1wyn n MET 105 Cb 0.54 -1.41 -0.10 0.00 -0.71 0.00 0.00 33.22 31.54 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 1.18 0.00 2.03 1.35 -1.95 -2.88 112.91 112.63 1wyn h THR 106 Ca 0.00 -2.85 -0.19 0.00 -0.55 0.00 0.00 66.41 62.82 1wyn h THR 106 Cb 0.54 2.55 -0.03 0.00 -1.73 0.00 0.00 68.15 69.49 1wyn h THR 106 CO 0.00 0.67 -0.92 -0.61 -0.25 0.00 0.00 175.52 174.41 1wyn h GLN 107 N 0.00 0.00 0.00 4.72 5.75 -1.93 -3.13 115.11 120.53 1wyn h GLN 107 Ca -0.11 0.00 -0.10 0.00 -0.15 0.00 0.00 58.65 58.29 1wyn h GLN 107 Cb 1.76 0.00 -0.02 0.00 1.07 0.00 0.00 27.48 30.29 1wyn h GLN 107 CO 0.09 0.88 -0.70 0.28 -2.65 0.00 0.00 178.83 176.73 1wyn h VAL 108 N 0.00 0.64 0.23 2.39 2.07 -1.72 -3.22 116.25 116.64 1wyn h VAL 108 Ca -0.02 -1.96 -0.01 0.00 0.82 0.00 0.00 66.70 65.53 1wyn h VAL 108 Cb 1.70 2.23 0.00 0.00 -1.52 0.00 0.00 31.29 33.70 1wyn h VAL 108 CO 0.11 0.36 -0.11 -0.61 0.02 0.00 0.00 177.57 177.35 1wyn h GLN 109 N 0.00 -0.29 -0.93 1.57 4.15 -1.55 -3.19 115.11 114.86 1wyn h GLN 109 Ca -0.04 0.02 0.12 0.00 0.77 0.00 0.00 58.65 59.52 1wyn h GLN 109 Cb 1.37 0.07 -0.08 0.00 0.21 0.00 0.00 27.48 29.04 1wyn h GLN 109 CO 0.05 0.06 0.56 -0.39 -1.93 0.00 0.00 178.83 177.18 1wyn h VAL 110 N -0.93 0.87 -0.75 2.39 -1.51 -1.69 -0.66 116.25 113.98 1wyn h VAL 110 Ca -0.03 -0.30 0.13 0.00 -1.23 0.00 0.00 66.70 65.27 1wyn h VAL 110 Cb 0.49 -0.07 -0.09 0.00 -2.13 0.00 0.00 31.29 29.49 1wyn h VAL 110 CO 0.05 0.16 0.32 -1.28 -1.23 0.00 0.00 177.57 175.59 1wyn h SER 111 N 0.87 0.34 -0.07 4.19 0.87 -1.62 0.28 113.55 118.41 1wyn h SER 111 Ca 0.47 0.10 -0.24 0.00 -1.23 0.00 0.00 61.79 60.88 1wyn h SER 111 Cb 0.50 0.06 0.02 0.00 -0.44 0.00 0.00 62.40 62.54 1wyn h SER 111 CO -0.28 0.15 -0.91 -0.07 -0.53 0.00 0.00 176.83 175.19 1wyn h LEU 112 N 0.49 0.92 -1.93 2.23 3.38 -1.23 -0.34 115.31 118.83 1wyn h LEU 112 Ca 0.41 -0.67 -0.02 0.00 0.09 0.00 0.00 57.88 57.68 1wyn h LEU 112 Cb 0.58 -0.28 -0.00 0.00 0.09 0.00 0.00 40.66 41.05 1wyn h LEU 112 CO -0.37 1.47 -0.12 -0.07 0.09 0.00 0.00 178.44 179.44 1wyn h LEU 113 N 0.47 0.00 0.11 1.67 3.38 -0.14 0.26 115.31 121.06 1wyn h LEU 113 Ca -0.09 0.00 -0.37 0.00 0.09 0.00 0.00 57.88 57.51 1wyn h LEU 113 Cb 1.55 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 42.28 1wyn h LEU 113 CO 0.18 0.12 -2.04 0.00 0.09 0.00 0.00 178.44 176.79 1wyn n ALA 114 N -2.31 0.94 0.00 1.53 0.00 0.88 -3.68 120.51 117.88 1wyn n ALA 114 Ca -0.02 -0.64 -0.04 0.00 0.00 0.00 0.00 53.44 52.74 1wyn n ALA 114 Cb 0.22 -0.63 0.19 0.00 0.00 0.00 0.00 19.45 19.23 1wyn n ALA 114 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 1wyn h LEU 115 N 0.06 0.52 0.75 0.00 5.85 -0.85 -2.99 115.31 118.66 1wyn h LEU 115 Ca -0.44 -0.18 -0.04 0.00 0.84 0.00 0.00 57.88 58.07 1wyn h LEU 115 Cb 2.02 -0.14 0.01 0.00 0.37 0.00 0.00 40.66 42.92 1wyn h LEU 115 CO 0.07 0.76 -0.36 0.00 -0.34 0.00 0.00 178.44 178.57 1wyn h ALA 116 N 1.28 -1.03 -1.01 1.25 0.00 -1.12 0.13 119.26 118.78 1wyn h ALA 116 Ca 0.07 -0.22 0.29 0.00 0.00 0.00 0.00 54.91 55.05 1wyn h ALA 116 Cb 0.67 0.39 -0.14 0.00 0.00 0.00 0.00 17.79 18.72 1wyn h ALA 116 CO 0.05 -0.95 0.58 0.78 0.00 0.00 0.00 179.25 179.71 1wyn h GLY 117 N -1.26 2.00 1.20 0.00 0.00 -1.63 0.21 103.07 103.59 1wyn h GLY 117 Ca -0.10 -0.27 -0.27 0.00 0.00 0.00 0.00 47.33 46.69 1wyn h GLY 117 CO 0.17 -0.39 -1.07 1.70 0.00 0.00 0.00 176.54 176.95 1wyn h LYS 118 N 0.43 0.69 -0.30 4.80 3.64 -1.47 -3.24 116.57 121.12 1wyn h LYS 118 Ca 0.70 -0.77 -0.02 0.00 -1.27 0.00 0.00 60.65 59.29 1wyn h LYS 118 Cb 1.50 0.22 -0.02 0.00 -0.41 0.00 0.00 32.23 33.53 1wyn h LYS 118 CO -0.55 1.34 0.11 0.00 -2.27 0.00 0.00 179.45 178.07 1wyn h ALA 119 N 0.38 1.62 -1.01 5.00 0.00 0.21 -2.57 119.26 122.89 1wyn h ALA 119 Ca -0.14 -0.10 0.30 0.00 0.00 0.00 0.00 54.91 54.97 1wyn h ALA 119 Cb 1.73 -0.13 -0.14 0.00 0.00 0.00 0.00 17.79 19.25 1wyn h ALA 119 CO 0.21 0.30 0.58 0.87 0.00 0.00 0.00 179.25 181.21 1wyn h LYS 120 N 0.43 0.39 -1.24 0.00 1.79 -0.81 0.65 116.57 117.78 1wyn h LYS 120 Ca 0.11 -0.02 0.42 0.00 -2.18 0.00 0.00 60.65 58.98 1wyn h LYS 120 Cb 0.11 -0.09 -0.12 0.00 -1.58 0.00 0.00 32.23 30.56 1wyn h LYS 120 CO -0.01 0.26 0.81 -2.37 -1.08 0.00 0.00 179.45 177.06 1wyn n THR 121 N -4.99 -0.20 0.26 -0.16 5.66 -0.97 0.67 114.28 114.55 1wyn n THR 121 Ca 0.30 1.55 -0.16 0.00 -3.05 0.00 0.00 64.05 62.70 1wyn n THR 121 Cb 0.92 -2.55 -0.08 0.00 -1.55 0.00 0.00 70.33 67.07 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 -0.70 -2.28 1.09 1.79 -1.10 -3.29 116.57 112.08 1wyn h LYS 122 Ca 0.77 0.05 -0.62 0.00 -2.18 0.00 0.00 60.65 58.68 1wyn h LYS 122 Cb 2.54 0.16 -0.40 0.00 -1.58 0.00 0.00 32.23 32.95 1wyn h LYS 122 CO -0.38 -0.47 -0.45 0.41 -1.08 0.00 0.00 179.45 177.49 1wyn n GLY 123 N -1.44 5.65 3.44 3.86 0.00 0.21 -5.04 105.19 111.88 1wyn n GLY 123 Ca -0.11 -2.77 -0.48 0.00 0.00 0.00 0.00 46.02 42.66 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 -0.19 1.73 -3.73 0.99 4.77 -0.75 -4.89 117.00 114.92 1wyn n LEU 124 Ca 0.33 0.28 -0.14 0.00 -0.03 0.00 0.00 56.01 56.45 1wyn n LEU 124 Cb 0.38 -1.21 -0.09 0.00 -2.33 0.00 0.00 43.42 40.16 1wyn n LEU 124 CO 0.36 -0.85 0.08 -1.10 -1.33 0.00 0.00 177.39 174.55 1wyn s GLN 125 N 6.88 0.61 0.34 3.23 -0.21 -1.26 -5.10 119.66 124.15 1wyn s GLN 125 Ca 1.13 0.17 -0.18 0.00 0.02 0.00 0.00 55.36 56.50 1wyn s GLN 125 Cb -0.90 0.28 0.05 0.00 1.00 0.00 0.00 33.01 33.44 1wyn s GLN 125 CO 0.48 -0.14 0.79 0.45 -2.12 0.00 0.00 175.29 174.74 1wyn s SER 126 N -0.65 -0.08 0.42 5.90 0.15 -1.26 -5.17 113.70 113.01 1wyn s SER 126 Ca -0.07 -0.94 0.08 0.00 0.70 0.00 0.00 55.95 55.71 1wyn s SER 126 Cb -0.04 0.79 -0.01 0.00 -1.71 0.00 0.00 66.02 65.05 1wyn s SER 126 CO 0.03 -1.53 0.46 -0.83 1.20 0.00 0.00 173.24 172.57 1wyn s GLY 127 N -3.04 2.06 -0.30 9.45 0.00 -1.26 -5.01 107.32 109.22 1wyn s GLY 127 Ca 0.14 -1.80 -0.33 0.00 0.00 0.00 0.00 44.72 42.74 1wyn s GLY 127 CO 0.10 -1.61 2.20 -0.62 0.00 0.00 0.00 173.10 173.17 1wyn n VAL 128 N -1.68 0.24 -3.62 1.40 0.31 -1.26 -4.88 118.33 108.85 1wyn n VAL 128 Ca 0.05 -0.33 -0.08 0.00 -0.01 0.00 0.00 64.34 63.98 1wyn n VAL 128 Cb 0.61 -1.97 -0.02 0.00 -0.91 0.00 0.00 33.84 31.54 1wyn n VAL 128 CO 0.00 0.00 0.00 1.51 -1.32 0.00 0.00 176.83 177.02 1wyn s ASP 129 N 7.67 -0.35 0.07 4.52 -4.77 -1.26 -5.10 116.67 117.45 1wyn s ASP 129 Ca 1.06 -0.22 -0.01 0.00 -3.30 0.00 0.00 52.55 50.08 1wyn s ASP 129 Cb -0.67 0.53 -0.00 0.00 -1.09 0.00 0.00 42.92 41.68 1wyn s ASP 129 CO 0.44 -0.92 -0.02 -0.38 0.70 0.00 0.00 175.17 174.99 1wyn n ILE 130 N -0.38 1.08 0.00 2.11 5.41 -1.26 -5.12 119.36 121.19 1wyn n ILE 130 Ca -0.09 0.34 0.00 0.00 1.00 0.00 0.00 62.75 64.00 1wyn n ILE 130 Cb 0.62 -1.56 0.00 0.00 -0.71 0.00 0.00 39.64 37.99 1wyn n ILE 130 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1wyn n GLY 131 N 3.35 0.91 3.26 7.39 0.00 -1.26 -5.14 105.19 113.70 1wyn n GLY 131 Ca -0.01 -0.27 -0.35 0.00 0.00 0.00 0.00 46.02 45.39 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 0.00 3.11 -0.11 1.61 1.01 -1.26 -5.10 120.40 119.66 1wyn s VAL 132 Ca 0.00 -0.72 -0.03 0.00 0.00 0.00 0.00 61.98 61.23 1wyn s VAL 132 Cb 0.00 -2.47 -0.03 0.00 0.00 0.00 0.00 36.38 33.88 1wyn s VAL 132 CO 0.00 0.34 0.02 -0.75 0.00 0.00 0.00 175.10 174.72 1wyn s LYS 133 N 1.41 3.21 -0.43 2.72 2.47 -1.26 -5.05 119.74 122.81 1wyn s LYS 133 Ca 0.04 -0.37 -0.28 0.00 -1.56 0.00 0.00 55.97 53.80 1wyn s LYS 133 Cb -0.15 -2.90 -0.00 0.00 -1.46 0.00 0.00 37.83 33.31 1wyn s LYS 133 CO -0.04 0.63 1.63 0.71 0.16 0.00 0.00 175.35 178.43 1wyn s TYR 134 N -0.67 2.05 0.58 4.03 1.51 -1.26 -4.98 117.35 118.61 1wyn s TYR 134 Ca 0.11 0.64 -0.16 0.00 -1.01 0.00 0.00 57.07 56.65 1wyn s TYR 134 Cb -0.12 -4.22 -0.04 0.00 -0.11 0.00 0.00 41.96 37.47 1wyn s TYR 134 CO 0.02 -2.40 1.06 -1.12 -1.11 0.00 0.00 175.55 172.01 1wyn s SER 135 N 5.44 5.79 0.17 2.29 0.01 -1.26 -5.07 113.70 121.08 1wyn s SER 135 Ca 0.68 1.86 0.09 0.00 1.31 0.00 0.00 55.95 59.90 1wyn s SER 135 Cb -0.16 -2.54 -0.04 0.00 0.21 0.00 0.00 66.02 63.48 1wyn s SER 135 CO 0.30 -1.16 -0.20 -1.83 0.41 0.00 0.00 173.24 170.76 1wyn s GLU 136 N -3.94 1.34 0.02 12.44 -1.05 -1.26 -5.15 118.70 121.10 1wyn s GLU 136 Ca 0.65 -1.44 -0.01 0.00 -0.15 0.00 0.00 54.97 54.02 1wyn s GLU 136 Cb -0.17 -1.47 -0.02 0.00 -0.44 0.00 0.00 34.13 32.03 1wyn s GLU 136 CO 0.35 0.30 -0.02 0.21 0.95 0.00 0.00 175.26 177.06 1wyn s LYS 137 N -2.76 0.35 -0.12 -4.83 2.47 -1.26 -5.16 119.74 108.43 1wyn s LYS 137 Ca 0.17 -0.64 -0.11 0.00 -1.56 0.00 0.00 55.97 53.83 1wyn s LYS 137 Cb -0.06 0.13 0.03 0.00 -1.46 0.00 0.00 37.83 36.46 1wyn s LYS 137 CO 0.08 -0.06 0.31 -1.14 0.16 0.00 0.00 175.35 174.69 1wyn s GLN 138 N -1.65 0.36 -0.20 4.03 0.74 -1.26 -5.16 119.66 116.52 1wyn s GLN 138 Ca -0.14 0.43 -0.27 0.00 0.05 0.00 0.00 55.36 55.43 1wyn s GLN 138 Cb -0.08 0.17 0.09 0.00 1.10 0.00 0.00 33.01 34.29 1wyn s GLN 138 CO -0.01 -0.04 0.81 -2.00 -0.55 0.00 0.00 175.29 173.49 1wyn s GLU 139 N 0.18 0.80 0.01 1.67 2.56 -1.26 -5.17 118.70 117.48 1wyn s GLU 139 Ca -0.00 0.63 0.02 0.00 0.00 0.00 0.00 54.97 55.61 1wyn s GLU 139 Cb -0.02 0.38 -0.01 0.00 2.00 0.00 0.00 34.13 36.48 1wyn s GLU 139 CO 0.00 -0.16 -0.05 1.03 -0.56 0.00 0.00 175.26 175.52 1wyn s ARG 140 N -0.22 0.40 -0.30 4.30 0.52 -1.26 -5.13 118.95 117.26 1wyn s ARG 140 Ca -0.02 -0.32 -0.15 0.00 -0.52 0.00 0.00 55.73 54.71 1wyn s ARG 140 Cb -0.03 -0.32 -0.03 0.00 0.52 0.00 0.00 34.95 35.09 1wyn s ARG 140 CO 0.02 0.08 0.38 0.45 0.02 0.00 0.00 175.30 176.25 1wyn s SER 141 N -0.52 6.24 0.16 0.23 0.15 -1.26 -5.07 113.70 113.63 1wyn s SER 141 Ca -0.02 0.12 0.07 0.00 0.70 0.00 0.00 55.95 56.83 1wyn s SER 141 Cb -0.04 -2.21 -0.04 0.00 -1.71 0.00 0.00 66.02 62.02 1wyn s SER 141 CO -0.00 -0.25 -0.03 -0.83 1.20 0.00 0.00 173.24 173.33 1wyn s GLY 142 N 1.68 1.76 0.98 9.45 0.00 -1.26 -5.13 107.32 114.81 1wyn s GLY 142 Ca 0.14 -1.34 -0.12 0.00 0.00 0.00 0.00 44.72 43.41 1wyn s GLY 142 CO 0.11 -1.34 1.09 2.56 0.00 0.00 0.00 173.10 175.52 1wyn s PRO 143 N -2.75 0.54 0.25 2.90 0.04 -1.26 -5.09 135.00 129.64 1wyn s PRO 143 Ca 0.26 0.57 -0.13 0.00 0.04 0.00 0.00 61.00 61.74 1wyn s PRO 143 Cb -0.10 -1.75 -0.00 0.00 0.04 0.00 0.00 34.50 32.69 1wyn s PRO 143 CO 0.17 -2.67 0.49 -1.12 0.04 0.00 0.00 177.00 173.91 1wyn s SER 144 N -3.44 -0.07 -0.12 6.66 0.01 -1.26 -5.16 113.70 110.32 1wyn s SER 144 Ca 0.65 -0.94 -0.07 0.00 1.31 0.00 0.00 55.95 56.90 1wyn s SER 144 Cb -0.19 0.60 -0.04 0.00 0.21 0.00 0.00 66.02 66.60 1wyn s SER 144 CO 0.58 -1.16 0.12 -0.55 0.41 0.00 0.00 173.24 172.64 1wyn s SER 145 N -3.02 6.24 0.00 2.44 0.15 -1.26 -5.37 113.70 112.87 1wyn s SER 145 Ca 0.22 0.41 0.00 0.00 0.70 0.00 0.00 55.95 57.28 1wyn s SER 145 Cb -0.01 -2.01 0.00 0.00 -1.71 0.00 0.00 66.02 62.29 1wyn s SER 145 CO 0.09 0.39 0.00 0.61 1.20 0.00 0.00 173.24 175.53