#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 0.82 -0.14 1.61 0.01 -1.26 -4.26 113.70 110.49 1wyn s SER 2 Ca 0.00 0.24 0.01 0.00 1.31 0.00 0.00 55.95 57.51 1wyn s SER 2 Cb 0.00 0.12 0.02 0.00 0.21 0.00 0.00 66.02 66.37 1wyn s SER 2 CO 0.00 -0.24 -0.17 -0.55 0.41 0.00 0.00 173.24 172.69 1wyn s SER 3 N 2.16 2.77 0.04 2.44 0.15 0.40 -0.69 113.70 120.97 1wyn s SER 3 Ca 0.03 -0.52 -0.06 0.00 0.70 0.00 0.00 55.95 56.10 1wyn s SER 3 Cb -0.12 -1.26 -0.01 0.00 -1.71 0.00 0.00 66.02 62.93 1wyn s SER 3 CO -0.05 -0.00 0.11 -0.83 1.20 0.00 0.00 173.24 173.67 1wyn s GLY 4 N 1.19 0.15 -0.29 9.45 0.00 -1.26 -4.29 107.32 112.27 1wyn s GLY 4 Ca -0.01 -0.51 -0.29 0.00 0.00 0.00 0.00 44.72 43.92 1wyn s GLY 4 CO -0.07 -0.65 1.13 -0.56 0.00 0.00 0.00 173.10 172.96 1wyn s SER 5 N -2.08 6.91 0.33 1.64 0.01 -1.26 -4.84 113.70 114.41 1wyn s SER 5 Ca -0.05 1.20 0.05 0.00 1.31 0.00 0.00 55.95 58.45 1wyn s SER 5 Cb -0.02 -2.54 -0.07 0.00 0.21 0.00 0.00 66.02 63.61 1wyn s SER 5 CO -0.04 -0.88 0.02 -0.44 0.41 0.00 0.00 173.24 172.31 1wyn s SER 6 N 1.84 2.78 0.00 2.44 0.01 -1.26 -5.03 113.70 114.47 1wyn s SER 6 Ca 0.48 -1.33 0.00 0.00 1.31 0.00 0.00 55.95 56.41 1wyn s SER 6 Cb -0.14 -0.17 0.00 0.00 0.21 0.00 0.00 66.02 65.92 1wyn s SER 6 CO 0.15 -0.52 0.00 0.61 0.41 0.00 0.00 173.24 173.90 1wyn n GLY 7 N -0.72 -2.35 2.70 3.44 0.00 -1.26 -5.00 105.19 102.01 1wyn n GLY 7 Ca -0.03 -0.46 -0.29 0.00 0.00 0.00 0.00 46.02 45.24 1wyn n GLY 7 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1wyn s ASN 8 N 0.00 3.54 0.31 1.61 2.20 -1.26 -5.06 114.94 116.28 1wyn s ASN 8 Ca 0.00 -2.91 0.04 0.00 -0.94 0.00 0.00 52.86 49.05 1wyn s ASN 8 Cb 0.00 -1.07 -0.04 0.00 -2.00 0.00 0.00 41.25 38.15 1wyn s ASN 8 CO 0.00 -0.22 0.18 -0.13 -2.94 0.00 0.00 177.10 173.99 1wyn s ARG 9 N -0.01 1.62 -0.20 3.55 1.81 -1.26 -5.07 118.95 119.38 1wyn s ARG 9 Ca 0.21 -1.93 0.13 0.00 -1.72 0.00 0.00 55.73 52.42 1wyn s ARG 9 Cb -0.17 -0.01 0.44 0.00 -0.45 0.00 0.00 34.95 34.76 1wyn s ARG 9 CO -0.06 -0.49 1.20 1.47 -0.68 0.00 0.00 175.30 176.75 1wyn n LEU 10 N -0.59 2.94 -4.65 2.53 -0.00 -1.26 -5.03 117.00 110.94 1wyn n LEU 10 Ca 0.02 -3.81 -0.42 0.00 -0.00 0.00 0.00 56.01 51.81 1wyn n LEU 10 Cb 0.64 -0.36 -0.04 0.00 -0.00 0.00 0.00 43.42 43.66 1wyn n LEU 10 CO 0.34 1.43 0.65 -0.76 -0.00 0.00 0.00 177.39 179.05 1wyn s LEU 11 N -2.93 4.09 -0.18 1.47 2.01 -1.26 -5.02 118.68 116.86 1wyn s LEU 11 Ca 0.40 1.05 -0.05 0.00 0.01 0.00 0.00 54.13 55.54 1wyn s LEU 11 Cb 0.38 -3.20 0.09 0.00 0.01 0.00 0.00 46.19 43.47 1wyn s LEU 11 CO -0.06 -0.51 0.34 -0.55 1.01 0.00 0.00 176.35 176.59 1wyn s SER 12 N 1.32 0.15 0.01 2.29 0.15 -1.26 -5.00 113.70 111.36 1wyn s SER 12 Ca 0.35 0.64 -0.15 0.00 0.70 0.00 0.00 55.95 57.49 1wyn s SER 12 Cb -0.15 1.01 0.05 0.00 -1.71 0.00 0.00 66.02 65.22 1wyn s SER 12 CO 0.08 -0.25 0.70 2.29 1.20 0.00 0.00 173.24 177.26 1wyn n LYS 13 N 5.37 0.14 -3.43 5.44 0.00 -1.26 -5.08 118.16 119.34 1wyn n LYS 13 Ca -0.07 -0.50 -0.30 0.00 -0.00 0.00 0.00 58.31 57.44 1wyn n LYS 13 Cb 0.50 0.79 -0.04 0.00 -0.00 0.00 0.00 35.03 36.28 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 -2.69 3.46 -0.28 5.58 6.14 -1.26 -4.64 117.35 123.66 1wyn s TYR 14 Ca 0.16 0.67 -0.23 0.00 0.64 0.00 0.00 57.07 58.32 1wyn s TYR 14 Cb -0.01 -2.11 0.11 0.00 0.42 0.00 0.00 41.96 40.37 1wyn s TYR 14 CO 0.00 0.25 0.91 0.34 0.64 0.00 0.00 175.55 177.69 1wyn s ASP 15 N -2.84 -0.59 0.06 4.32 2.15 -1.26 -5.02 116.67 113.49 1wyn s ASP 15 Ca 0.44 1.08 0.16 0.00 0.43 0.00 0.00 52.55 54.66 1wyn s ASP 15 Cb -0.11 1.14 0.69 0.00 -0.30 0.00 0.00 42.92 44.33 1wyn s ASP 15 CO 0.27 -0.18 1.51 -0.81 -0.17 0.00 0.00 175.17 175.78 1wyn n PRO 16 N 2.80 0.04 -0.05 4.34 -0.04 -1.26 -2.69 135.00 138.14 1wyn n PRO 16 Ca -0.15 0.30 -0.19 0.00 -0.04 0.00 0.00 63.50 63.42 1wyn n PRO 16 Cb 0.56 -1.58 -0.13 0.00 -0.04 0.00 0.00 33.50 32.31 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 -1.67 0.71 -0.17 0.54 6.02 -1.26 -4.38 117.38 117.18 1wyn n GLN 17 Ca 0.03 0.21 -0.09 0.00 -0.01 0.00 0.00 57.00 57.14 1wyn n GLN 17 Cb 0.18 -1.63 0.01 0.00 1.02 0.00 0.00 30.24 29.81 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 0.04 0.76 -1.52 -1.09 1.79 -1.93 -2.72 116.57 111.89 1wyn h LYS 18 Ca -0.49 -0.17 0.48 0.00 -2.18 0.00 0.00 60.65 58.29 1wyn h LYS 18 Cb 1.98 -0.11 -0.11 0.00 -1.58 0.00 0.00 32.23 32.42 1wyn h LYS 18 CO 0.01 0.72 1.02 1.49 -1.08 0.00 0.00 179.45 181.62 1wyn h GLU 19 N 0.65 0.04 0.21 3.15 4.22 -1.71 0.89 114.58 122.03 1wyn h GLU 19 Ca 0.15 -0.00 -0.28 0.00 0.08 0.00 0.00 59.36 59.31 1wyn h GLU 19 Cb 0.29 -0.01 0.03 0.00 0.50 0.00 0.00 28.75 29.56 1wyn h GLU 19 CO -0.00 0.03 -1.25 0.00 -2.18 0.00 0.00 179.01 175.60 1wyn h ALA 20 N 1.42 -0.11 -0.64 2.92 0.00 -1.71 -3.18 119.26 117.96 1wyn h ALA 20 Ca 0.86 -0.82 0.06 0.00 0.00 0.00 0.00 54.91 55.00 1wyn h ALA 20 Cb 2.96 0.18 -0.05 0.00 0.00 0.00 0.00 17.79 20.87 1wyn h ALA 20 CO -0.29 0.60 0.34 0.93 0.00 0.00 0.00 179.25 180.83 1wyn h GLU 21 N -0.06 0.62 0.25 0.00 5.08 0.82 0.09 114.58 121.37 1wyn h GLU 21 Ca -0.22 -0.04 -0.01 0.00 -1.00 0.00 0.00 59.36 58.09 1wyn h GLU 21 Cb 1.97 -0.14 0.00 0.00 0.50 0.00 0.00 28.75 31.08 1wyn h GLU 21 CO 0.22 0.41 -0.12 -0.07 -1.00 0.00 0.00 179.01 178.45 1wyn h LEU 22 N 0.64 -0.28 -1.19 1.33 3.38 -1.26 0.52 115.31 118.44 1wyn h LEU 22 Ca 0.29 0.01 0.29 0.00 0.09 0.00 0.00 57.88 58.56 1wyn h LEU 22 Cb 0.19 0.07 -0.12 0.00 0.09 0.00 0.00 40.66 40.89 1wyn h LEU 22 CO -0.18 -0.20 0.65 0.08 0.09 0.00 0.00 178.44 178.88 1wyn h ARG 23 N -0.35 0.39 0.00 1.13 0.11 -1.52 0.98 114.38 115.12 1wyn h ARG 23 Ca -0.03 -0.02 -0.10 0.00 0.10 0.00 0.00 59.98 59.92 1wyn h ARG 23 Cb 0.26 -0.09 -0.01 0.00 1.11 0.00 0.00 29.97 31.24 1wyn h ARG 23 CO 0.06 0.26 -0.48 1.15 0.10 0.00 0.00 179.97 181.05 1wyn h THR 24 N 0.40 1.29 0.06 0.08 2.02 -0.82 0.21 112.91 116.15 1wyn h THR 24 Ca 0.66 -1.69 -0.27 0.00 0.77 0.00 0.00 66.41 65.88 1wyn h THR 24 Cb 1.58 1.92 -0.02 0.00 -1.74 0.00 0.00 68.15 69.89 1wyn h THR 24 CO -0.42 0.47 -1.39 -0.25 0.37 0.00 0.00 175.52 174.30 1wyn h TRP 25 N 0.00 0.23 0.00 3.16 7.01 0.31 -3.29 115.95 123.37 1wyn h TRP 25 Ca -0.00 -0.17 -0.01 0.00 2.11 0.00 0.00 58.89 60.82 1wyn h TRP 25 Cb 0.89 -0.01 -0.00 0.00 -2.10 0.00 0.00 29.16 27.93 1wyn h TRP 25 CO 0.00 1.19 -0.06 0.82 -2.79 0.00 0.00 178.44 177.60 1wyn h ILE 26 N 0.04 1.22 -0.94 2.65 2.04 -0.20 -2.98 117.51 119.33 1wyn h ILE 26 Ca -0.17 -1.93 0.27 0.00 1.00 0.00 0.00 64.86 64.03 1wyn h ILE 26 Cb 1.94 2.32 -0.14 0.00 -0.74 0.00 0.00 36.82 40.19 1wyn h ILE 26 CO 0.14 0.41 0.39 -0.33 0.00 0.00 0.00 178.15 178.76 1wyn h GLU 27 N -1.00 0.26 -0.00 2.37 5.08 -0.75 0.62 114.58 121.16 1wyn h GLU 27 Ca -0.01 -0.02 -0.15 0.00 -1.00 0.00 0.00 59.36 58.18 1wyn h GLU 27 Cb 0.72 -0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.89 1wyn h GLU 27 CO -0.01 0.17 -0.72 0.78 -1.00 0.00 0.00 179.01 178.23 1wyn h GLY 28 N 0.27 0.02 0.57 -3.84 0.00 -1.68 0.64 103.07 99.04 1wyn h GLY 28 Ca 0.63 -0.03 -0.03 0.00 0.00 0.00 0.00 47.33 47.91 1wyn h GLY 28 CO -0.63 0.03 -0.27 1.41 0.00 0.00 0.00 176.54 177.07 1wyn h LEU 29 N 0.01 -0.65 0.00 3.11 3.38 0.36 -3.32 115.31 118.20 1wyn h LEU 29 Ca -0.01 0.02 -0.19 0.00 0.09 0.00 0.00 57.88 57.79 1wyn h LEU 29 Cb 1.28 0.17 -0.03 0.00 0.09 0.00 0.00 40.66 42.17 1wyn h LEU 29 CO 0.10 -0.34 -0.96 0.71 0.09 0.00 0.00 178.44 178.03 1wyn h THR 30 N -1.01 1.37 0.00 0.22 1.35 -1.34 -3.48 112.91 110.02 1wyn h THR 30 Ca -0.08 -3.00 0.00 0.00 -0.55 0.00 0.00 66.41 62.78 1wyn h THR 30 Cb 0.59 2.67 0.00 0.00 -1.73 0.00 0.00 68.15 69.67 1wyn h THR 30 CO 0.13 0.78 0.00 0.61 -0.25 0.00 0.00 175.52 176.79 1wyn n GLY 31 N 1.34 0.47 3.88 5.82 0.00 0.22 -5.06 105.19 111.86 1wyn n GLY 31 Ca -0.02 -0.91 -0.23 0.00 0.00 0.00 0.00 46.02 44.86 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 3.06 -0.16 0.99 1.43 -1.14 -5.00 118.68 117.86 1wyn s LEU 32 Ca 0.00 -1.00 -0.03 0.00 -1.03 0.00 0.00 54.13 52.08 1wyn s LEU 32 Cb 0.00 -1.60 -0.02 0.00 0.03 0.00 0.00 46.19 44.60 1wyn s LEU 32 CO 0.00 -0.87 -0.06 -0.94 0.23 0.00 0.00 176.35 174.71 1wyn s SER 33 N -4.20 4.46 0.09 2.29 1.04 -1.26 -4.60 113.70 111.52 1wyn s SER 33 Ca 0.42 -0.25 -0.08 0.00 0.48 0.00 0.00 55.95 56.53 1wyn s SER 33 Cb -0.02 -1.72 -0.21 0.00 0.10 0.00 0.00 66.02 64.17 1wyn s SER 33 CO 0.25 0.12 1.19 0.40 0.98 0.00 0.00 173.24 176.19 1wyn h ILE 34 N 5.36 1.39 0.00 -1.02 2.04 -1.92 -3.50 117.51 119.86 1wyn h ILE 34 Ca -0.32 -2.61 0.00 0.00 1.00 0.00 0.00 64.86 62.93 1wyn h ILE 34 Cb 1.19 2.65 0.00 0.00 -0.74 0.00 0.00 36.82 39.92 1wyn h ILE 34 CO 0.60 0.78 0.00 0.61 0.00 0.00 0.00 178.15 180.14 1wyn n GLY 35 N 1.24 -1.41 0.00 5.37 0.00 -1.26 -3.73 105.19 105.40 1wyn n GLY 35 Ca -0.10 -2.22 0.08 0.00 0.00 0.00 0.00 46.02 43.79 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 -0.36 0.48 -3.81 1.61 -0.04 -1.26 -4.63 135.00 126.98 1wyn n PRO 36 Ca 0.00 0.00 -0.13 0.00 -0.04 0.00 0.00 63.50 63.34 1wyn n PRO 36 Cb 0.00 -1.50 -0.13 0.00 -0.04 0.00 0.00 33.50 31.83 1wyn n PRO 36 CO 0.00 0.00 0.00 0.34 -0.04 0.00 0.00 175.50 175.80 1wyn s ASP 37 N -2.02 -0.11 -0.05 3.54 -1.08 -1.26 -5.08 116.67 110.61 1wyn s ASP 37 Ca 0.23 0.23 -0.02 0.00 -0.52 0.00 0.00 52.55 52.48 1wyn s ASP 37 Cb 0.11 0.21 -0.01 0.00 -1.46 0.00 0.00 42.92 41.77 1wyn s ASP 37 CO 0.18 -0.06 0.12 0.15 0.52 0.00 0.00 175.17 176.07 1wyn h PHE 38 N 6.28 -0.06 -0.92 -5.34 3.57 -1.88 -1.40 116.94 117.19 1wyn h PHE 38 Ca -0.29 -0.00 0.23 0.00 3.53 0.00 0.00 57.97 61.43 1wyn h PHE 38 Cb 1.19 0.02 -0.17 0.00 2.79 0.00 0.00 35.95 39.78 1wyn h PHE 38 CO 0.41 -0.04 -0.03 0.37 -2.23 0.00 0.00 178.31 176.80 1wyn h GLN 39 N -0.56 0.04 0.42 1.11 -0.00 -1.97 -0.26 115.11 113.88 1wyn h GLN 39 Ca -0.01 -0.00 -0.02 0.00 -0.00 0.00 0.00 58.65 58.62 1wyn h GLN 39 Cb 0.05 -0.01 0.00 0.00 0.00 0.00 0.00 27.48 27.53 1wyn h GLN 39 CO 0.01 0.02 -0.20 0.87 0.00 0.00 0.00 178.83 179.53 1wyn h LYS 40 N 0.04 -0.54 -1.68 1.69 1.57 -1.91 0.87 116.57 116.62 1wyn h LYS 40 Ca 0.52 0.04 0.50 0.00 -1.87 0.00 0.00 60.65 59.83 1wyn h LYS 40 Cb 0.98 0.12 -0.08 0.00 0.08 0.00 0.00 32.23 33.33 1wyn h LYS 40 CO -0.86 -0.27 1.19 0.78 -0.57 0.00 0.00 179.45 179.72 1wyn h GLY 41 N -1.06 0.28 0.00 3.86 0.00 -0.12 0.48 103.07 106.52 1wyn h GLY 41 Ca -0.06 -0.02 -0.31 0.00 0.00 0.00 0.00 47.33 46.93 1wyn h GLY 41 CO 0.09 -0.08 -2.27 1.04 0.00 0.00 0.00 176.54 175.32 1wyn n LEU 42 N -4.15 0.00 0.00 3.11 4.77 -0.22 -4.56 117.00 115.96 1wyn n LEU 42 Ca 0.39 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.37 1wyn n LEU 42 Cb 1.73 0.42 0.00 0.00 -2.33 0.00 0.00 43.42 43.25 1wyn n LEU 42 CO 0.39 0.42 0.36 1.17 -1.33 0.00 0.00 177.39 178.40 1wyn n LYS 43 N -2.66 0.00 -0.66 3.23 4.81 0.30 0.20 118.16 123.38 1wyn n LYS 43 Ca -0.28 0.71 0.51 0.00 -0.87 0.00 0.00 58.31 58.37 1wyn n LYS 43 Cb 1.06 -1.11 0.80 0.00 0.02 0.00 0.00 35.03 35.80 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 0.04 -1.76 3.14 3.04 -1.82 -3.43 116.42 115.63 1wyn h ASP 44 Ca 0.00 0.03 -0.04 0.00 -3.24 0.00 0.00 57.03 53.78 1wyn h ASP 44 Cb 0.00 0.03 0.02 0.00 -1.04 0.00 0.00 39.33 38.34 1wyn h ASP 44 CO 0.00 -0.05 -0.08 0.61 -2.04 0.00 0.00 179.24 177.68 1wyn n GLY 45 N -1.84 0.68 0.12 7.15 0.00 0.52 -4.41 105.19 107.42 1wyn n GLY 45 Ca 0.43 -0.54 -0.24 0.00 0.00 0.00 0.00 46.02 45.67 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 -2.41 1.56 -0.03 2.61 -2.24 -1.26 -4.42 114.28 108.09 1wyn n THR 46 Ca -0.01 -0.30 -0.09 0.00 -2.27 0.00 0.00 64.05 61.39 1wyn n THR 46 Cb 0.51 -1.88 -0.08 0.00 -2.10 0.00 0.00 70.33 66.78 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 -0.76 1.02 -0.67 2.28 2.04 -1.89 -3.31 117.51 116.22 1wyn h ILE 47 Ca -0.52 -1.64 0.28 0.00 1.00 0.00 0.00 64.86 63.98 1wyn h ILE 47 Cb 1.57 1.87 -0.12 0.00 -0.74 0.00 0.00 36.82 39.41 1wyn h ILE 47 CO -0.24 0.33 0.37 0.18 0.00 0.00 0.00 178.15 178.78 1wyn n LEU 48 N -4.74 0.22 0.33 1.44 4.77 -1.26 0.66 117.00 118.42 1wyn n LEU 48 Ca -0.06 1.08 -0.13 0.00 -0.03 0.00 0.00 56.01 56.86 1wyn n LEU 48 Cb 0.28 -0.53 -0.06 0.00 -2.33 0.00 0.00 43.42 40.78 1wyn n LEU 48 CO 0.21 -1.21 0.37 0.00 -1.33 0.00 0.00 177.39 175.44 1wyn h THR 50 N -1.14 0.49 -0.68 0.00 1.35 0.14 -0.50 112.91 112.57 1wyn h THR 50 Ca -0.09 -0.12 0.14 0.00 -0.55 0.00 0.00 66.41 65.79 1wyn h THR 50 Cb 0.66 0.13 -0.13 0.00 -1.73 0.00 0.00 68.15 67.08 1wyn h THR 50 CO 0.14 0.06 -0.18 0.25 -0.25 0.00 0.00 175.52 175.54 1wyn h LEU 51 N 0.34 -0.67 0.25 3.87 5.85 -1.17 -1.34 115.31 122.44 1wyn h LEU 51 Ca 0.49 0.21 -0.01 0.00 0.84 0.00 0.00 57.88 59.40 1wyn h LEU 51 Cb 0.87 0.44 0.00 0.00 0.37 0.00 0.00 40.66 42.34 1wyn h LEU 51 CO -0.52 -0.23 -0.12 -0.03 -0.34 0.00 0.00 178.44 177.19 1wyn h MET 52 N -0.01 -0.33 -1.38 1.25 4.05 -1.08 -2.62 114.93 114.81 1wyn h MET 52 Ca 0.33 0.02 0.40 0.00 -0.28 0.00 0.00 59.70 60.17 1wyn h MET 52 Cb 0.51 0.07 -0.06 0.00 -0.80 0.00 0.00 31.60 31.33 1wyn h MET 52 CO -0.71 -0.08 1.12 -0.91 0.23 0.00 0.00 176.91 176.55 1wyn h ASN 53 N -0.54 0.00 0.18 1.39 2.35 -0.76 1.15 115.58 119.35 1wyn h ASN 53 Ca -0.03 0.00 -0.30 0.00 -0.55 0.00 0.00 56.30 55.41 1wyn h ASN 53 Cb 0.40 0.00 0.03 0.00 0.05 0.00 0.00 38.32 38.80 1wyn h ASN 53 CO 0.06 0.00 -1.30 0.11 -1.65 0.00 0.00 177.43 174.65 1wyn h LYS 54 N 0.00 0.57 0.08 0.81 1.79 -0.98 -3.38 116.57 115.45 1wyn h LYS 54 Ca 0.66 -0.85 -0.00 0.00 -2.18 0.00 0.00 60.65 58.27 1wyn h LYS 54 Cb 2.88 0.30 0.00 0.00 -1.58 0.00 0.00 32.23 33.83 1wyn h LYS 54 CO -0.01 1.39 -0.04 -0.07 -1.08 0.00 0.00 179.45 179.65 1wyn h LEU 55 N 0.17 -0.09 -8.63 2.94 3.38 0.13 -3.43 115.31 109.78 1wyn h LEU 55 Ca -0.21 -0.34 -0.68 0.00 0.09 0.00 0.00 57.88 56.73 1wyn h LEU 55 Cb 1.99 0.02 -0.20 0.00 0.09 0.00 0.00 40.66 42.56 1wyn h LEU 55 CO 0.25 0.55 -0.50 -1.58 0.09 0.00 0.00 178.44 177.24 1wyn s GLN 56 N -2.36 3.37 -1.19 1.13 0.74 0.15 -5.01 119.66 116.49 1wyn s GLN 56 Ca -0.09 -0.72 -0.23 0.00 0.05 0.00 0.00 55.36 54.38 1wyn s GLN 56 Cb -0.01 -3.74 -0.09 0.00 1.10 0.00 0.00 33.01 30.28 1wyn s GLN 56 CO 0.32 -0.47 1.93 -0.35 -0.55 0.00 0.00 175.29 176.17 1wyn n PRO 57 N 5.06 1.62 0.00 1.67 -0.04 -1.26 -2.70 135.00 139.35 1wyn n PRO 57 Ca -0.13 -2.48 0.00 0.00 -0.04 0.00 0.00 63.50 60.85 1wyn n PRO 57 Cb 0.49 -3.73 0.00 0.00 -0.04 0.00 0.00 33.50 30.22 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 5.77 0.98 0.00 0.55 0.00 -1.26 -5.10 105.19 106.13 1wyn n GLY 58 Ca 0.45 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.47 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 0.00 0.00 -4.62 1.61 3.41 -1.10 -4.89 113.62 108.03 1wyn n SER 59 Ca 0.00 0.18 -0.37 0.00 -0.26 0.00 0.00 58.87 58.42 1wyn n SER 59 Cb 0.00 -0.27 -0.10 0.00 -0.26 0.00 0.00 64.21 63.58 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 -0.53 5.33 -0.02 -3.33 1.01 -1.26 -4.94 120.40 116.65 1wyn s VAL 60 Ca 0.00 0.17 -0.26 0.00 0.00 0.00 0.00 61.98 61.89 1wyn s VAL 60 Cb 0.00 -3.51 -0.20 0.00 0.00 0.00 0.00 36.38 32.66 1wyn s VAL 60 CO 0.00 0.29 1.27 1.55 0.00 0.00 0.00 175.10 178.21 1wyn h PRO 61 N 8.01 -0.00 -3.98 2.72 0.13 -1.99 -3.47 132.00 133.41 1wyn h PRO 61 Ca -0.36 0.00 -0.12 0.00 -0.87 0.00 0.00 66.00 64.65 1wyn h PRO 61 Cb 1.18 0.00 -0.13 0.00 0.13 0.00 0.00 31.00 32.18 1wyn h PRO 61 CO 0.59 0.48 -0.39 0.21 -0.23 0.00 0.00 178.00 178.67 1wyn s LYS 62 N -4.26 1.08 -0.04 0.86 2.20 -1.26 -5.17 119.74 113.16 1wyn s LYS 62 Ca -0.16 -1.20 0.06 0.00 -0.36 0.00 0.00 55.97 54.31 1wyn s LYS 62 Cb 0.02 0.35 -0.01 0.00 -1.51 0.00 0.00 37.83 36.67 1wyn s LYS 62 CO 0.67 -0.38 -0.21 0.42 -0.36 0.00 0.00 175.35 175.49 1wyn s ILE 63 N -3.97 1.73 0.05 5.43 1.01 -1.26 -5.03 121.20 119.16 1wyn s ILE 63 Ca 0.17 -0.90 -0.26 0.00 0.00 0.00 0.00 60.65 59.66 1wyn s ILE 63 Cb 0.04 -1.46 -0.13 0.00 0.01 0.00 0.00 42.46 40.91 1wyn s ILE 63 CO -0.01 0.49 1.40 0.78 0.00 0.00 0.00 174.94 177.60 1wyn h ASN 64 N 6.00 -0.94 -2.43 3.58 2.35 -1.87 -3.45 115.58 118.81 1wyn h ASN 64 Ca -0.34 0.06 -0.31 0.00 -0.55 0.00 0.00 56.30 55.16 1wyn h ASN 64 Cb 1.16 0.29 -0.07 0.00 0.05 0.00 0.00 38.32 39.75 1wyn h ASN 64 CO 0.47 -0.52 -0.34 0.54 -1.65 0.00 0.00 177.43 175.94 1wyn n ARG 65 N -4.62 -1.69 -3.90 0.81 1.74 -1.26 -4.94 116.66 102.80 1wyn n ARG 65 Ca -0.10 0.82 -0.22 0.00 -0.77 0.00 0.00 57.85 57.58 1wyn n ARG 65 Cb 0.35 -5.27 -0.04 0.00 -1.02 0.00 0.00 32.46 26.48 1wyn n ARG 65 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 1wyn s SER 66 N -2.16 5.11 0.30 0.55 0.15 -1.26 -5.03 113.70 111.37 1wyn s SER 66 Ca 0.00 -0.58 0.09 0.00 0.70 0.00 0.00 55.95 56.17 1wyn s SER 66 Cb 0.00 -0.90 0.48 0.00 -1.71 0.00 0.00 66.02 63.89 1wyn s SER 66 CO 0.00 -0.34 1.69 -0.03 1.20 0.00 0.00 173.24 175.77 1wyn h MET 67 N 1.33 0.09 -6.13 5.44 4.05 -2.01 -3.42 114.93 114.29 1wyn h MET 67 Ca -0.44 -0.05 -0.76 0.00 -0.28 0.00 0.00 59.70 58.17 1wyn h MET 67 Cb 1.25 0.00 0.02 0.00 -0.80 0.00 0.00 31.60 32.08 1wyn h MET 67 CO 0.60 0.56 0.78 1.04 0.23 0.00 0.00 176.91 180.12 1wyn n GLN 68 N -3.96 0.90 0.24 0.39 3.00 -1.26 -4.86 117.38 111.83 1wyn n GLN 68 Ca -0.02 0.33 -0.16 0.00 -0.01 0.00 0.00 57.00 57.14 1wyn n GLN 68 Cb 0.52 -1.97 -0.08 0.00 0.00 0.00 0.00 30.24 28.71 1wyn n GLN 68 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.06 176.15 1wyn h ASN 69 N 6.33 -0.95 -0.97 1.08 4.21 -2.01 -1.80 115.58 121.48 1wyn h ASN 69 Ca -0.46 0.08 0.23 0.00 1.21 0.00 0.00 56.30 57.36 1wyn h ASN 69 Cb 1.33 0.31 -0.08 0.00 -1.12 0.00 0.00 38.32 38.77 1wyn h ASN 69 CO 0.93 -0.50 0.64 4.11 -1.29 0.00 0.00 177.43 181.32 1wyn h TRP 70 N -0.75 0.57 -0.37 1.19 0.09 -1.98 0.64 115.95 115.34 1wyn h TRP 70 Ca -0.03 0.02 -0.04 0.00 0.09 0.00 0.00 58.89 58.93 1wyn h TRP 70 Cb 0.67 -0.17 -0.01 0.00 0.08 0.00 0.00 29.16 29.72 1wyn h TRP 70 CO -0.19 0.11 0.07 0.45 0.09 0.00 0.00 178.44 178.97 1wyn h HIS 71 N 0.39 0.64 -0.55 0.12 3.86 -1.72 -2.55 115.15 115.35 1wyn h HIS 71 Ca 0.53 -0.09 0.01 0.00 -1.16 0.00 0.00 60.37 59.66 1wyn h HIS 71 Cb 1.35 -0.18 -0.03 0.00 1.06 0.00 0.00 27.41 29.62 1wyn h HIS 71 CO -0.00 0.65 0.36 1.96 0.86 0.00 0.00 177.93 181.76 1wyn h GLN 72 N 0.45 0.71 0.44 2.45 4.20 -0.16 -2.90 115.11 120.29 1wyn h GLN 72 Ca 0.11 -0.04 -0.02 0.00 0.06 0.00 0.00 58.65 58.76 1wyn h GLN 72 Cb 0.35 -0.16 0.00 0.00 0.30 0.00 0.00 27.48 27.97 1wyn h GLN 72 CO 0.01 0.47 -0.21 -0.07 -0.67 0.00 0.00 178.83 178.35 1wyn h LEU 73 N 0.73 -0.50 -0.99 1.46 -0.00 -1.16 -3.05 115.31 111.80 1wyn h LEU 73 Ca 0.20 -0.09 0.36 0.00 -0.00 0.00 0.00 57.88 58.35 1wyn h LEU 73 Cb -0.06 0.13 -0.17 0.00 -0.00 0.00 0.00 40.66 40.56 1wyn h LEU 73 CO -0.05 -0.18 0.44 -0.08 -0.00 0.00 0.00 178.44 178.57 1wyn h GLU 74 N -0.85 0.10 -0.01 1.13 4.57 -1.26 0.49 114.58 118.75 1wyn h GLU 74 Ca -0.06 -0.01 0.02 0.00 -1.18 0.00 0.00 59.36 58.13 1wyn h GLU 74 Cb 0.56 -0.02 -0.05 0.00 -0.16 0.00 0.00 28.75 29.08 1wyn h GLU 74 CO 0.10 0.06 -0.53 -0.91 -1.18 0.00 0.00 179.01 176.56 1wyn h ASN 75 N 0.10 -1.63 -0.18 1.04 2.35 -1.44 -0.23 115.58 115.59 1wyn h ASN 75 Ca 0.76 0.18 0.05 0.00 -0.55 0.00 0.00 56.30 56.74 1wyn h ASN 75 Cb 1.85 0.62 -0.05 0.00 0.05 0.00 0.00 38.32 40.79 1wyn h ASN 75 CO -0.74 -0.51 -0.14 -0.07 -1.65 0.00 0.00 177.43 174.31 1wyn h LEU 76 N -0.65 -0.45 -1.69 1.61 3.38 -0.99 -0.37 115.31 116.15 1wyn h LEU 76 Ca 0.01 0.09 0.25 0.00 0.09 0.00 0.00 57.88 58.32 1wyn h LEU 76 Cb 0.70 0.23 -0.06 0.00 0.09 0.00 0.00 40.66 41.62 1wyn h LEU 76 CO -0.36 -0.18 0.65 0.28 0.09 0.00 0.00 178.44 178.92 1wyn h SER 77 N -0.15 0.24 0.07 -0.43 0.02 -0.94 0.07 113.55 112.43 1wyn h SER 77 Ca 0.11 0.03 -0.00 0.00 -0.84 0.00 0.00 61.79 61.09 1wyn h SER 77 Cb 0.31 -0.01 0.00 0.00 0.14 0.00 0.00 62.40 62.84 1wyn h SER 77 CO -0.27 0.08 -0.04 0.78 -1.14 0.00 0.00 176.83 176.24 1wyn h ASN 78 N 0.23 -0.08 -0.97 3.07 2.35 0.57 -2.92 115.58 117.82 1wyn h ASN 78 Ca 0.49 -0.53 0.13 0.00 -0.55 0.00 0.00 56.30 55.84 1wyn h ASN 78 Cb 1.52 0.02 -0.08 0.00 0.05 0.00 0.00 38.32 39.83 1wyn h ASN 78 CO -0.13 0.57 0.62 0.15 -1.65 0.00 0.00 177.43 176.99 1wyn h PHE 79 N -0.82 1.05 0.27 1.19 3.57 -0.13 -1.61 116.94 120.47 1wyn h PHE 79 Ca -0.01 0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.51 1wyn h PHE 79 Cb 0.61 -0.33 0.00 0.00 2.79 0.00 0.00 35.95 39.02 1wyn h PHE 79 CO 0.13 0.40 -0.13 0.82 -2.23 0.00 0.00 178.31 177.30 1wyn h ILE 80 N 0.90 0.00 -0.86 1.41 2.04 -1.09 -2.11 117.51 117.80 1wyn h ILE 80 Ca 0.49 -0.03 0.25 0.00 1.00 0.00 0.00 64.86 66.57 1wyn h ILE 80 Cb 0.57 0.00 -0.03 0.00 -0.74 0.00 0.00 36.82 36.62 1wyn h ILE 80 CO -0.25 0.00 0.81 0.07 0.00 0.00 0.00 178.15 178.78 1wyn h LYS 81 N -0.39 0.00 -0.08 2.37 2.10 -1.36 0.90 116.57 120.10 1wyn h LYS 81 Ca -0.04 0.00 -0.17 0.00 -2.00 0.00 0.00 60.65 58.44 1wyn h LYS 81 Cb 0.28 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.60 1wyn h LYS 81 CO 0.06 0.00 -0.69 0.00 -2.00 0.00 0.00 179.45 176.82 1wyn h ALA 82 N 1.18 0.66 -0.39 0.07 0.00 -1.01 -3.23 119.26 116.54 1wyn h ALA 82 Ca 0.41 -0.59 -0.04 0.00 0.00 0.00 0.00 54.91 54.69 1wyn h ALA 82 Cb 2.03 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 19.73 1wyn h ALA 82 CO -0.00 0.75 0.08 0.52 0.00 0.00 0.00 179.25 180.60 1wyn h MET 83 N 0.26 0.63 -0.83 0.00 2.86 0.15 -2.91 114.93 115.10 1wyn h MET 83 Ca -0.02 -0.16 0.18 0.00 -2.06 0.00 0.00 59.70 57.64 1wyn h MET 83 Cb 1.25 -0.08 -0.11 0.00 0.06 0.00 0.00 31.60 32.72 1wyn h MET 83 CO 0.12 0.67 0.31 0.28 1.06 0.00 0.00 176.91 179.35 1wyn h VAL 84 N 0.49 0.53 -0.33 -2.22 2.07 -1.53 0.22 116.25 115.48 1wyn h VAL 84 Ca 0.12 -0.13 -0.08 0.00 0.82 0.00 0.00 66.70 67.43 1wyn h VAL 84 Cb 0.33 0.11 -0.02 0.00 -1.52 0.00 0.00 31.29 30.20 1wyn h VAL 84 CO 0.00 0.07 -0.13 -1.28 0.02 0.00 0.00 177.57 176.26 1wyn h SER 85 N 0.38 0.55 -0.74 0.57 0.87 -1.59 -2.91 113.55 110.69 1wyn h SER 85 Ca 0.49 -0.15 0.08 0.00 -1.23 0.00 0.00 61.79 60.97 1wyn h SER 85 Cb 0.85 -0.15 -0.06 0.00 -0.44 0.00 0.00 62.40 62.60 1wyn h SER 85 CO -0.49 0.71 0.41 0.22 -0.53 0.00 0.00 176.83 177.15 1wyn h TYR 86 N 0.52 0.75 0.00 2.24 3.20 -0.39 -3.46 116.97 119.83 1wyn h TYR 86 Ca 0.09 0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.99 1wyn h TYR 86 Cb 0.53 -0.23 0.00 0.00 1.54 0.00 0.00 36.73 38.57 1wyn h TYR 86 CO 0.02 0.33 0.00 0.41 -1.64 0.00 0.00 178.16 177.28 1wyn n GLY 87 N -1.30 1.05 3.99 1.82 0.00 -1.04 -5.13 105.19 104.58 1wyn n GLY 87 Ca 0.11 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.94 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 2.75 0.62 1.61 -1.94 -1.24 -5.08 119.30 116.03 1wyn s MET 88 Ca 0.00 -0.99 -0.14 0.00 -1.71 0.00 0.00 55.69 52.86 1wyn s MET 88 Cb 0.00 -2.64 -0.02 0.00 2.01 0.00 0.00 34.83 34.17 1wyn s MET 88 CO 0.00 -0.43 1.05 -0.80 -0.01 0.00 0.00 175.02 174.83 1wyn s ASN 89 N -4.36 5.77 0.24 3.03 -0.87 -1.26 -4.86 114.94 112.64 1wyn s ASN 89 Ca 0.55 1.68 0.23 0.00 -1.57 0.00 0.00 52.86 53.75 1wyn s ASN 89 Cb -0.10 -2.51 0.96 0.00 -0.02 0.00 0.00 41.25 39.58 1wyn s ASN 89 CO 0.35 -1.18 1.69 -0.81 -2.57 0.00 0.00 177.10 174.59 1wyn n PRO 90 N -2.45 0.18 -0.10 -0.60 -0.04 -1.26 -3.21 135.00 127.52 1wyn n PRO 90 Ca 0.08 0.42 -0.23 0.00 -0.04 0.00 0.00 63.50 63.73 1wyn n PRO 90 Cb 0.53 -1.85 -0.12 0.00 -0.04 0.00 0.00 33.50 32.02 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 -2.20 1.57 0.33 0.52 0.24 -1.26 -4.22 118.33 113.31 1wyn n VAL 91 Ca 0.02 -0.46 0.10 0.00 -2.04 0.00 0.00 64.34 61.96 1wyn n VAL 91 Cb 0.22 -1.71 0.51 0.00 -1.47 0.00 0.00 33.84 31.39 1wyn n VAL 91 CO 0.00 0.00 0.00 0.44 -2.14 0.00 0.00 176.83 175.13 1wyn h ASP 92 N -0.42 0.00 -4.29 -1.34 5.19 -1.94 -3.41 116.42 110.22 1wyn h ASP 92 Ca -0.55 0.00 -0.51 0.00 -0.62 0.00 0.00 57.03 55.35 1wyn h ASP 92 Cb 1.76 0.00 0.11 0.00 0.18 0.00 0.00 39.33 41.38 1wyn h ASP 92 CO -0.17 0.00 0.34 -0.76 -3.12 0.00 0.00 179.24 175.54 1wyn s LEU 93 N -5.50 3.16 0.33 1.55 1.43 -1.24 -3.82 118.68 114.59 1wyn s LEU 93 Ca -0.02 1.81 0.03 0.00 -1.03 0.00 0.00 54.13 54.92 1wyn s LEU 93 Cb 0.06 -4.52 -0.05 0.00 0.03 0.00 0.00 46.19 41.71 1wyn s LEU 93 CO 0.18 -1.76 0.09 0.72 0.23 0.00 0.00 176.35 175.81 1wyn s PHE 94 N -2.79 1.78 0.02 0.29 -0.12 -1.26 -4.91 117.98 110.99 1wyn s PHE 94 Ca 0.62 -1.13 -0.02 0.00 -0.05 0.00 0.00 56.93 56.35 1wyn s PHE 94 Cb -0.17 -1.12 -0.04 0.00 -0.63 0.00 0.00 43.02 41.06 1wyn s PHE 94 CO 0.51 -0.20 0.20 -1.21 -0.05 0.00 0.00 175.22 174.47 1wyn s GLU 95 N -3.87 3.45 0.42 1.99 8.01 -1.26 -4.97 118.70 122.46 1wyn s GLU 95 Ca 0.34 -0.35 0.09 0.00 0.01 0.00 0.00 54.97 55.06 1wyn s GLU 95 Cb 0.07 -3.07 0.93 0.00 -4.31 0.00 0.00 34.13 27.74 1wyn s GLU 95 CO 0.15 0.65 2.04 0.00 0.01 0.00 0.00 175.26 178.11 1wyn h ALA 96 N 3.55 1.81 -0.17 5.21 0.00 -1.93 -2.40 119.26 125.34 1wyn h ALA 96 Ca -0.48 -0.02 -0.06 0.00 0.00 0.00 0.00 54.91 54.36 1wyn h ALA 96 Cb 1.18 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 18.83 1wyn h ALA 96 CO 0.71 0.13 -0.12 -2.95 0.00 0.00 0.00 179.25 177.03 1wyn h ASN 97 N 0.49 0.40 -1.01 0.00 -1.07 -1.96 -0.29 115.58 112.14 1wyn h ASN 97 Ca 0.18 -0.44 0.41 0.00 0.07 0.00 0.00 56.30 56.52 1wyn h ASN 97 Cb 0.13 -0.11 -0.17 0.00 -2.07 0.00 0.00 38.32 36.09 1wyn h ASN 97 CO -0.05 0.76 0.56 0.44 0.07 0.00 0.00 177.43 179.21 1wyn h ASP 98 N 0.05 0.34 0.01 6.14 5.19 -1.71 0.27 116.42 126.72 1wyn h ASP 98 Ca 0.03 0.25 -0.27 0.00 -0.62 0.00 0.00 57.03 56.42 1wyn h ASP 98 Cb 0.62 0.25 -0.04 0.00 0.18 0.00 0.00 39.33 40.35 1wyn h ASP 98 CO 0.03 -0.39 -1.48 -0.11 -3.12 0.00 0.00 179.24 174.17 1wyn n LEU 99 N -5.21 1.96 0.00 1.55 7.94 -1.18 0.23 117.00 122.29 1wyn n LEU 99 Ca 0.37 0.39 -0.12 0.00 -1.11 0.00 0.00 56.01 55.54 1wyn n LEU 99 Cb 1.26 -0.97 -0.08 0.00 0.53 0.00 0.00 43.42 44.16 1wyn n LEU 99 CO 0.03 0.37 0.51 0.15 -1.11 0.00 0.00 177.39 177.34 1wyn h PHE 100 N -0.88 -1.30 -0.96 1.96 3.57 0.38 -2.18 116.94 117.54 1wyn h PHE 100 Ca -0.40 0.05 -0.61 0.00 3.53 0.00 0.00 57.97 60.54 1wyn h PHE 100 Cb 1.42 0.58 -0.30 0.00 2.79 0.00 0.00 35.95 40.44 1wyn h PHE 100 CO 0.08 -0.44 0.68 0.39 -2.23 0.00 0.00 178.31 176.78 1wyn n GLU 101 N -4.86 2.61 -1.77 1.11 -0.58 0.83 -4.87 120.64 113.11 1wyn n GLU 101 Ca -0.05 -3.28 -0.00 0.00 -0.42 0.00 0.00 57.16 53.41 1wyn n GLU 101 Cb 0.31 -2.25 -0.00 0.00 -0.57 0.00 0.00 31.44 28.93 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 -0.63 0.28 1.62 3.41 -0.82 -4.67 113.62 111.85 1wyn n SER 102 Ca 0.60 0.25 0.14 0.00 -0.26 0.00 0.00 58.87 59.61 1wyn n SER 102 Cb 0.94 -0.85 0.76 0.00 -0.26 0.00 0.00 64.21 64.80 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 -5.89 5.00 0.00 -0.17 -3.40 103.07 98.62 1wyn h GLY 103 Ca -0.01 0.00 0.24 0.00 0.00 0.00 0.00 47.33 47.56 1wyn h GLY 103 CO 0.01 0.00 0.29 0.21 0.00 0.00 0.00 176.54 177.05 1wyn s ASN 104 N -4.29 -0.31 -0.00 0.19 2.47 0.10 -4.81 114.94 108.29 1wyn s ASN 104 Ca -0.03 0.30 0.20 0.00 0.42 0.00 0.00 52.86 53.75 1wyn s ASN 104 Cb 0.08 1.30 -0.23 0.00 -1.45 0.00 0.00 41.25 40.96 1wyn s ASN 104 CO 0.25 -0.06 0.86 0.23 -3.72 0.00 0.00 177.10 174.66 1wyn n MET 105 N 5.13 0.24 0.07 0.43 2.81 -1.26 -4.10 117.12 120.44 1wyn n MET 105 Ca -0.08 -0.01 -0.19 0.00 -1.81 0.00 0.00 57.70 55.62 1wyn n MET 105 Cb 0.54 -1.47 -0.14 0.00 -0.71 0.00 0.00 33.22 31.44 1wyn n MET 105 CO 0.00 0.00 0.00 1.79 1.51 0.00 0.00 175.97 179.27 1wyn h THR 106 N 0.00 1.06 -0.35 2.03 1.35 -1.95 -2.94 112.91 112.10 1wyn h THR 106 Ca 0.00 -2.68 -0.11 0.00 -0.55 0.00 0.00 66.41 63.07 1wyn h THR 106 Cb 0.50 2.75 -0.01 0.00 -1.73 0.00 0.00 68.15 69.66 1wyn h THR 106 CO 0.00 0.82 -0.22 -0.61 -0.25 0.00 0.00 175.52 175.26 1wyn h GLN 107 N 0.08 0.77 -0.16 4.72 -0.00 -1.97 -2.50 115.11 116.06 1wyn h GLN 107 Ca -0.29 -0.36 -0.13 0.00 -0.00 0.00 0.00 58.65 57.87 1wyn h GLN 107 Cb 2.05 -0.01 -0.01 0.00 0.00 0.00 0.00 27.48 29.51 1wyn h GLN 107 CO 0.17 0.98 -0.46 0.28 0.00 0.00 0.00 178.83 179.80 1wyn h VAL 108 N 0.55 1.32 0.45 2.39 2.07 -1.72 -2.83 116.25 118.48 1wyn h VAL 108 Ca 0.07 -1.66 -0.02 0.00 0.82 0.00 0.00 66.70 65.91 1wyn h VAL 108 Cb 0.78 1.70 0.00 0.00 -1.52 0.00 0.00 31.29 32.26 1wyn h VAL 108 CO 0.06 0.51 -0.22 -0.61 0.02 0.00 0.00 177.57 177.33 1wyn h GLN 109 N 0.33 -0.58 -0.06 1.57 5.75 -1.44 -2.63 115.11 118.05 1wyn h GLN 109 Ca 0.02 0.04 0.02 0.00 -0.15 0.00 0.00 58.65 58.58 1wyn h GLN 109 Cb 0.94 0.13 -0.00 0.00 1.07 0.00 0.00 27.48 29.62 1wyn h GLN 109 CO 0.08 -0.31 0.08 -0.39 -2.65 0.00 0.00 178.83 175.64 1wyn h VAL 110 N -0.78 0.38 -0.18 2.39 -1.51 -1.49 -0.45 116.25 114.61 1wyn h VAL 110 Ca -0.06 0.00 -0.13 0.00 -1.23 0.00 0.00 66.70 65.28 1wyn h VAL 110 Cb 0.54 0.93 -0.01 0.00 -2.13 0.00 0.00 31.29 30.62 1wyn h VAL 110 CO 0.10 0.00 -0.42 -1.28 -1.23 0.00 0.00 177.57 174.74 1wyn h SER 111 N 0.00 0.47 0.17 4.19 0.87 -1.21 -2.16 113.55 115.87 1wyn h SER 111 Ca 0.03 -0.21 -0.28 0.00 -1.23 0.00 0.00 61.79 60.10 1wyn h SER 111 Cb 0.19 -0.13 0.02 0.00 -0.44 0.00 0.00 62.40 62.04 1wyn h SER 111 CO -0.00 0.84 -1.35 -0.07 -0.53 0.00 0.00 176.83 175.72 1wyn h LEU 112 N 0.36 0.56 -2.20 2.23 3.38 -0.91 -2.38 115.31 116.34 1wyn h LEU 112 Ca 0.03 -0.91 -0.01 0.00 0.09 0.00 0.00 57.88 57.08 1wyn h LEU 112 Cb 0.90 -0.18 -0.00 0.00 0.09 0.00 0.00 40.66 41.46 1wyn h LEU 112 CO 0.08 1.62 -0.05 -0.07 0.09 0.00 0.00 178.44 180.10 1wyn h LEU 113 N -0.14 0.00 0.14 1.67 3.38 -1.31 0.34 115.31 119.40 1wyn h LEU 113 Ca -0.26 0.00 -0.36 0.00 0.09 0.00 0.00 57.88 57.35 1wyn h LEU 113 Cb 1.89 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.63 1wyn h LEU 113 CO 0.16 0.05 -1.92 0.00 0.09 0.00 0.00 178.44 176.82 1wyn h ALA 114 N 1.95 0.35 -0.16 1.53 0.00 -1.47 -3.24 119.26 118.22 1wyn h ALA 114 Ca -0.00 -1.32 -0.09 0.00 0.00 0.00 0.00 54.91 53.50 1wyn h ALA 114 Cb 0.13 0.63 -0.01 0.00 0.00 0.00 0.00 17.79 18.54 1wyn h ALA 114 CO 0.01 1.23 -0.29 1.25 0.00 0.00 0.00 179.25 181.44 1wyn h LEU 115 N 0.08 0.30 -0.16 0.00 5.85 -1.04 -3.07 115.31 117.27 1wyn h LEU 115 Ca -0.40 -0.10 -0.06 0.00 0.84 0.00 0.00 57.88 58.16 1wyn h LEU 115 Cb 2.06 -0.08 -0.00 0.00 0.37 0.00 0.00 40.66 43.00 1wyn h LEU 115 CO 0.12 0.59 -0.13 0.00 -0.34 0.00 0.00 178.44 178.68 1wyn h ALA 116 N 1.44 0.23 0.00 1.25 0.00 -1.09 -1.07 119.26 120.01 1wyn h ALA 116 Ca 0.04 -0.31 0.00 0.00 0.00 0.00 0.00 54.91 54.64 1wyn h ALA 116 Cb 0.66 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.39 1wyn h ALA 116 CO 0.05 0.09 0.25 0.78 0.00 0.00 0.00 179.25 180.41 1wyn h GLY 117 N 0.01 0.00 0.00 0.00 0.00 -1.56 0.25 103.07 101.77 1wyn h GLY 117 Ca 0.03 0.00 -0.33 0.00 0.00 0.00 0.00 47.33 47.03 1wyn h GLY 117 CO 0.03 0.00 -2.24 1.17 0.00 0.00 0.00 176.54 175.50 1wyn n LYS 118 N -2.49 0.81 0.25 4.80 4.81 -1.10 -4.39 118.16 120.86 1wyn n LYS 118 Ca -0.02 0.07 0.15 0.00 -0.87 0.00 0.00 58.31 57.65 1wyn n LYS 118 Cb 0.28 -1.45 0.47 0.00 0.02 0.00 0.00 35.03 34.35 1wyn n LYS 118 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1wyn h ALA 119 N 0.37 1.00 -0.10 3.14 0.00 0.19 -3.08 119.26 120.77 1wyn h ALA 119 Ca -0.49 0.00 0.03 0.00 0.00 0.00 0.00 54.91 54.45 1wyn h ALA 119 Cb 1.90 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 19.69 1wyn h ALA 119 CO -0.03 0.00 0.18 1.57 0.00 0.00 0.00 179.25 180.97 1wyn h LYS 120 N 0.00 0.00 -0.31 0.00 2.10 -0.78 -1.15 116.57 116.43 1wyn h LYS 120 Ca 0.00 0.00 0.09 0.00 -2.00 0.00 0.00 60.65 58.74 1wyn h LYS 120 Cb 0.72 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 32.04 1wyn h LYS 120 CO 0.00 0.00 0.42 0.00 -2.00 0.00 0.00 179.45 177.87 1wyn h THR 121 N 0.00 0.29 -0.31 0.07 1.03 -1.81 -0.64 112.91 111.54 1wyn h THR 121 Ca 0.05 0.00 0.02 0.00 -0.01 0.00 0.00 66.41 66.47 1wyn h THR 121 Cb 0.42 0.65 -0.03 0.00 -1.07 0.00 0.00 68.15 68.12 1wyn h THR 121 CO -0.00 0.00 0.14 0.11 -0.01 0.00 0.00 175.52 175.76 1wyn h LYS 122 N 0.00 0.29 -0.83 0.00 6.56 -1.48 -3.39 116.57 117.72 1wyn h LYS 122 Ca 0.15 -0.02 -0.30 0.00 -1.06 0.00 0.00 60.65 59.42 1wyn h LYS 122 Cb 0.98 -0.07 -0.21 0.00 -0.57 0.00 0.00 32.23 32.36 1wyn h LYS 122 CO -0.00 0.19 -0.65 0.41 -2.06 0.00 0.00 179.45 177.35 1wyn n GLY 123 N -1.19 0.57 3.92 3.86 0.00 -0.31 -5.08 105.19 106.95 1wyn n GLY 123 Ca -0.00 -0.21 -0.22 0.00 0.00 0.00 0.00 46.02 45.59 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 -0.31 3.18 0.22 0.99 0.05 -0.78 -4.93 118.68 117.10 1wyn s LEU 124 Ca 0.32 -0.87 -0.31 0.00 0.05 0.00 0.00 54.13 53.32 1wyn s LEU 124 Cb 0.14 -1.81 -0.15 0.00 -2.05 0.00 0.00 46.19 42.33 1wyn s LEU 124 CO -0.17 -0.90 1.14 0.00 -0.55 0.00 0.00 176.35 175.87 1wyn n GLN 125 N -1.75 1.31 -1.24 1.48 0.00 -1.26 -4.81 117.38 111.11 1wyn n GLN 125 Ca 0.05 0.46 -0.40 0.00 0.00 0.00 0.00 57.00 57.11 1wyn n GLN 125 Cb 0.62 -1.94 -0.01 0.00 0.00 0.00 0.00 30.24 28.92 1wyn n GLN 125 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.06 177.51 1wyn n SER 126 N 1.80 -2.46 0.00 2.61 2.88 -1.26 -4.75 113.62 112.43 1wyn n SER 126 Ca 0.13 0.81 0.00 0.00 -1.33 0.00 0.00 58.87 58.48 1wyn n SER 126 Cb 0.28 -0.84 0.00 0.00 -0.75 0.00 0.00 64.21 62.89 1wyn n SER 126 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1wyn n GLY 127 N 2.15 0.37 3.87 0.46 0.00 0.13 -4.94 105.19 107.23 1wyn n GLY 127 Ca 0.12 0.21 -0.35 0.00 0.00 0.00 0.00 46.02 45.99 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 0.73 5.12 -0.40 1.61 0.11 -1.26 -4.78 120.40 121.53 1wyn s VAL 128 Ca 0.00 0.45 -0.27 0.00 -2.93 0.00 0.00 61.98 59.23 1wyn s VAL 128 Cb 0.00 -3.64 0.02 0.00 -1.53 0.00 0.00 36.38 31.23 1wyn s VAL 128 CO 0.00 0.34 1.00 1.51 -3.33 0.00 0.00 175.10 174.62 1wyn s ASP 129 N -1.65 6.67 -0.02 3.54 -4.77 -1.26 0.15 116.67 119.33 1wyn s ASP 129 Ca 0.31 0.54 -0.06 0.00 -3.30 0.00 0.00 52.55 50.04 1wyn s ASP 129 Cb -0.14 -2.49 -0.03 0.00 -1.09 0.00 0.00 42.92 39.17 1wyn s ASP 129 CO 0.17 -0.99 -0.12 -0.38 0.70 0.00 0.00 175.17 174.54 1wyn n ILE 130 N 6.26 1.12 0.00 2.11 2.08 -1.26 -4.94 119.36 124.72 1wyn n ILE 130 Ca 0.09 0.20 0.00 0.00 0.56 0.00 0.00 62.75 63.60 1wyn n ILE 130 Cb 0.48 -1.80 0.00 0.00 -0.75 0.00 0.00 39.64 37.58 1wyn n ILE 130 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 1wyn n GLY 131 N 2.68 -0.06 3.02 7.39 0.00 -1.26 -5.10 105.19 111.86 1wyn n GLY 131 Ca -0.09 0.36 -0.20 0.00 0.00 0.00 0.00 46.02 46.09 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 0.79 -0.00 1.61 1.01 -1.26 -5.07 120.40 117.48 1wyn s VAL 132 Ca 0.00 -0.39 -0.20 0.00 0.00 0.00 0.00 61.98 61.39 1wyn s VAL 132 Cb 0.00 -0.68 -0.11 0.00 0.00 0.00 0.00 36.38 35.59 1wyn s VAL 132 CO 0.00 0.24 0.91 0.50 0.00 0.00 0.00 175.10 176.75 1wyn h LYS 133 N 6.17 -0.69 -2.46 2.72 3.64 -2.02 -3.42 116.57 120.51 1wyn h LYS 133 Ca -0.32 0.05 -0.09 0.00 -1.27 0.00 0.00 60.65 59.01 1wyn h LYS 133 Cb 1.17 0.16 -0.23 0.00 -0.41 0.00 0.00 32.23 32.92 1wyn h LYS 133 CO 0.49 -0.46 -0.09 -0.47 -2.27 0.00 0.00 179.45 176.65 1wyn s TYR 134 N -3.97 -0.57 0.29 1.91 5.04 -1.26 -4.94 117.35 113.84 1wyn s TYR 134 Ca -0.10 1.39 -0.06 0.00 -2.44 0.00 0.00 57.07 55.85 1wyn s TYR 134 Cb 0.01 0.20 -0.00 0.00 0.35 0.00 0.00 41.96 42.52 1wyn s TYR 134 CO 0.31 -0.29 0.44 -1.54 -1.34 0.00 0.00 175.55 173.14 1wyn s SER 135 N 0.22 0.45 0.69 4.32 1.04 -1.26 -5.18 113.70 113.98 1wyn s SER 135 Ca -0.00 -1.27 -0.02 0.00 0.48 0.00 0.00 55.95 55.14 1wyn s SER 135 Cb -0.04 0.61 0.10 0.00 0.10 0.00 0.00 66.02 66.80 1wyn s SER 135 CO 0.01 -1.20 0.96 -1.61 0.98 0.00 0.00 173.24 172.38 1wyn s GLU 136 N -3.50 1.87 -0.15 4.02 2.02 -1.26 -5.12 118.70 116.59 1wyn s GLU 136 Ca 0.28 -0.92 -0.06 0.00 0.02 0.00 0.00 54.97 54.29 1wyn s GLU 136 Cb 0.00 -2.33 0.07 0.00 0.10 0.00 0.00 34.13 31.97 1wyn s GLU 136 CO 0.15 -1.31 0.32 0.21 0.02 0.00 0.00 175.26 174.65 1wyn s LYS 137 N -5.10 0.24 -0.23 1.61 2.36 -1.26 -4.93 119.74 112.43 1wyn s LYS 137 Ca 0.64 0.78 -0.27 0.00 -2.55 0.00 0.00 55.97 54.57 1wyn s LYS 137 Cb -0.07 0.04 0.12 0.00 -1.05 0.00 0.00 37.83 36.88 1wyn s LYS 137 CO 0.43 -0.23 1.02 -1.14 1.55 0.00 0.00 175.35 176.99 1wyn s GLN 138 N 2.07 0.54 -0.47 4.03 -0.44 -1.26 -4.99 119.66 119.14 1wyn s GLN 138 Ca -0.03 0.41 -0.01 0.00 -2.50 0.00 0.00 55.36 53.23 1wyn s GLN 138 Cb -0.11 0.26 0.00 0.00 -1.64 0.00 0.00 33.01 31.52 1wyn s GLN 138 CO -0.10 -0.11 0.40 -1.91 0.50 0.00 0.00 175.29 174.06 1wyn n GLU 139 N 1.63 -2.65 -1.83 1.67 4.07 -1.26 -4.53 120.64 117.74 1wyn n GLU 139 Ca -0.12 0.31 -0.43 0.00 -0.06 0.00 0.00 57.16 56.87 1wyn n GLU 139 Cb 0.57 -3.75 -0.03 0.00 -0.06 0.00 0.00 31.44 28.17 1wyn n GLU 139 CO 0.00 0.00 0.00 0.50 -0.06 0.00 0.00 177.13 177.57 1wyn s ARG 140 N -4.88 3.23 0.37 5.31 3.52 -1.26 -4.67 118.95 120.57 1wyn s ARG 140 Ca 0.08 1.68 0.06 0.00 -0.13 0.00 0.00 55.73 57.42 1wyn s ARG 140 Cb -0.04 -4.28 -0.07 0.00 -1.56 0.00 0.00 34.95 29.00 1wyn s ARG 140 CO 0.27 -1.99 0.02 -1.12 -0.81 0.00 0.00 175.30 171.67 1wyn s SER 141 N 7.11 3.25 -0.38 -2.12 0.01 -1.26 -5.12 113.70 115.19 1wyn s SER 141 Ca 0.89 -1.36 0.01 0.00 1.31 0.00 0.00 55.95 56.80 1wyn s SER 141 Cb -0.27 -0.27 0.15 0.00 0.21 0.00 0.00 66.02 65.84 1wyn s SER 141 CO 0.34 -0.49 0.24 -0.83 0.41 0.00 0.00 173.24 172.91 1wyn s GLY 142 N -3.61 1.03 0.00 3.44 0.00 -1.26 -4.96 107.32 101.96 1wyn s GLY 142 Ca 0.35 -2.07 0.13 0.00 0.00 0.00 0.00 44.72 43.13 1wyn s GLY 142 CO 0.17 2.03 1.20 -1.55 0.00 0.00 0.00 173.10 174.95 1wyn n PRO 143 N 3.75 0.49 -1.67 2.90 -0.04 -1.26 -4.83 135.00 134.33 1wyn n PRO 143 Ca 0.15 0.00 -0.52 0.00 -0.04 0.00 0.00 63.50 63.09 1wyn n PRO 143 Cb 0.39 -1.42 -0.06 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 n SER 144 N -0.92 2.56 -3.77 3.54 2.88 -1.26 -4.96 113.62 111.69 1wyn n SER 144 Ca 0.10 1.06 -0.13 0.00 -1.33 0.00 0.00 58.87 58.58 1wyn n SER 144 Cb 0.04 -1.25 -0.12 0.00 -0.75 0.00 0.00 64.21 62.13 1wyn n SER 144 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 1wyn s SER 145 N 2.48 -0.26 0.00 -3.46 0.01 -1.26 -5.25 113.70 105.96 1wyn s SER 145 Ca 0.90 0.50 0.06 0.00 1.31 0.00 0.00 55.95 58.72 1wyn s SER 145 Cb -0.89 0.46 0.05 0.00 0.21 0.00 0.00 66.02 65.84 1wyn s SER 145 CO 0.53 -0.11 0.68 0.61 0.41 0.00 0.00 173.24 175.36