#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 -0.54 -0.26 1.61 1.04 -1.26 -5.04 113.70 109.26 1wyn s SER 2 Ca 0.00 0.97 -0.16 0.00 0.48 0.00 0.00 55.95 57.24 1wyn s SER 2 Cb 0.00 1.06 -0.13 0.00 0.10 0.00 0.00 66.02 67.05 1wyn s SER 2 CO 0.00 -0.16 -0.25 -1.20 0.98 0.00 0.00 173.24 172.61 1wyn n SER 3 N 2.79 1.94 0.00 7.02 7.64 -1.26 -5.10 113.62 126.65 1wyn n SER 3 Ca -0.15 0.36 0.00 0.00 1.01 0.00 0.00 58.87 60.09 1wyn n SER 3 Cb 0.56 -0.84 0.00 0.00 -1.01 0.00 0.00 64.21 62.92 1wyn n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1wyn n GLY 4 N 1.31 0.91 0.33 0.23 0.00 -1.26 -4.92 105.19 101.79 1wyn n GLY 4 Ca -0.46 -0.28 0.14 0.00 0.00 0.00 0.00 46.02 45.42 1wyn n GLY 4 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1wyn n SER 5 N 0.00 -0.12 -4.36 1.61 3.41 -1.26 -4.74 113.62 108.15 1wyn n SER 5 Ca 0.00 1.62 -0.38 0.00 -0.26 0.00 0.00 58.87 59.85 1wyn n SER 5 Cb 0.00 -0.58 -0.06 0.00 -0.26 0.00 0.00 64.21 63.31 1wyn n SER 5 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 1wyn n SER 6 N -5.42 -1.75 -3.15 4.04 2.88 -1.26 -4.89 113.62 104.08 1wyn n SER 6 Ca 0.22 -1.16 0.04 0.00 -1.33 0.00 0.00 58.87 56.64 1wyn n SER 6 Cb 0.72 -2.08 -0.00 0.00 -0.75 0.00 0.00 64.21 62.09 1wyn n SER 6 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 1wyn s GLY 7 N -3.53 -1.16 0.00 0.46 0.00 -1.26 -4.71 107.32 97.11 1wyn s GLY 7 Ca 0.61 1.35 0.00 0.00 0.00 0.00 0.00 44.72 46.68 1wyn s GLY 7 CO 0.98 3.67 0.00 0.70 0.00 0.00 0.00 173.10 178.45 1wyn n ASN 8 N 5.40 0.10 -4.55 1.64 3.02 -1.26 -4.98 115.26 114.62 1wyn n ASN 8 Ca 0.04 0.00 -0.35 0.00 -0.03 0.00 0.00 54.58 54.24 1wyn n ASN 8 Cb 0.54 0.00 -0.04 0.00 -0.61 0.00 0.00 39.78 39.67 1wyn n ASN 8 CO 0.00 0.00 0.00 -0.13 -2.62 0.00 0.00 177.26 174.51 1wyn s ARG 9 N -1.98 2.46 -0.30 3.52 0.52 -1.26 -4.78 118.95 117.13 1wyn s ARG 9 Ca 0.00 0.59 0.09 0.00 -0.52 0.00 0.00 55.73 55.89 1wyn s ARG 9 Cb 0.00 -4.56 0.46 0.00 0.52 0.00 0.00 34.95 31.37 1wyn s ARG 9 CO 0.00 -3.04 1.17 1.28 0.02 0.00 0.00 175.30 174.74 1wyn n LEU 10 N 13.87 4.49 -4.27 2.53 4.77 -1.26 -4.97 117.00 132.15 1wyn n LEU 10 Ca 0.28 -4.57 -0.44 0.00 -0.03 0.00 0.00 56.01 51.26 1wyn n LEU 10 Cb 0.51 -0.24 -0.05 0.00 -2.33 0.00 0.00 43.42 41.31 1wyn n LEU 10 CO 0.68 1.99 0.19 -0.22 -1.33 0.00 0.00 177.39 178.70 1wyn s LEU 11 N -3.62 6.16 -0.30 2.23 2.96 -1.26 -4.98 118.68 119.87 1wyn s LEU 11 Ca 0.48 -2.28 -0.02 0.00 -0.22 0.00 0.00 54.13 52.09 1wyn s LEU 11 Cb 0.40 -2.12 0.19 0.00 0.50 0.00 0.00 46.19 45.16 1wyn s LEU 11 CO 0.02 -0.66 0.64 -0.55 -1.32 0.00 0.00 176.35 174.48 1wyn s SER 12 N 2.49 -1.31 0.26 3.68 0.15 -1.26 -5.17 113.70 112.54 1wyn s SER 12 Ca 0.11 0.82 0.05 0.00 0.70 0.00 0.00 55.95 57.63 1wyn s SER 12 Cb -0.21 2.10 -0.03 0.00 -1.71 0.00 0.00 66.02 66.17 1wyn s SER 12 CO -0.03 -0.24 0.38 -0.75 1.20 0.00 0.00 173.24 173.80 1wyn s LYS 13 N 2.87 3.40 -0.36 5.44 2.36 -1.26 -4.72 119.74 127.47 1wyn s LYS 13 Ca 0.19 -0.77 -0.33 0.00 -2.55 0.00 0.00 55.97 52.51 1wyn s LYS 13 Cb -0.15 -2.87 -0.14 0.00 -1.05 0.00 0.00 37.83 33.62 1wyn s LYS 13 CO -0.20 0.37 1.19 0.98 1.55 0.00 0.00 175.35 179.24 1wyn n TYR 14 N -1.46 1.21 -4.81 4.03 4.19 -1.26 -4.92 117.16 114.14 1wyn n TYR 14 Ca -0.08 0.79 -0.25 0.00 3.31 0.00 0.00 57.90 61.68 1wyn n TYR 14 Cb 0.57 -1.60 -0.15 0.00 0.49 0.00 0.00 39.34 38.65 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 2.39 2.02 0.36 2.98 2.15 -1.26 -5.02 116.67 120.30 1wyn s ASP 15 Ca 0.76 -0.31 0.27 0.00 0.43 0.00 0.00 52.55 53.70 1wyn s ASP 15 Cb -1.07 -0.29 1.14 0.00 -0.30 0.00 0.00 42.92 42.40 1wyn s ASP 15 CO 0.57 0.20 1.81 1.55 -0.17 0.00 0.00 175.17 179.14 1wyn h PRO 16 N 5.82 0.00 0.00 4.34 0.13 -2.02 -2.59 132.00 137.68 1wyn h PRO 16 Ca -0.36 0.00 -0.37 0.00 -0.87 0.00 0.00 66.00 64.40 1wyn h PRO 16 Cb 1.15 0.00 -0.07 0.00 0.13 0.00 0.00 31.00 32.22 1wyn h PRO 16 CO 0.48 0.00 -2.40 1.04 -0.23 0.00 0.00 178.00 176.90 1wyn n GLN 17 N -2.54 0.68 -0.07 0.86 6.02 -1.26 -4.48 117.38 116.60 1wyn n GLN 17 Ca 0.01 0.03 -0.12 0.00 -0.01 0.00 0.00 57.00 56.92 1wyn n GLN 17 Cb 0.25 -1.53 -0.05 0.00 1.02 0.00 0.00 30.24 29.93 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 0.00 0.40 -0.90 -1.09 1.79 -1.94 -3.08 116.57 111.75 1wyn h LYS 18 Ca -0.55 -0.16 0.36 0.00 -2.18 0.00 0.00 60.65 58.12 1wyn h LYS 18 Cb 2.17 -0.02 -0.16 0.00 -1.58 0.00 0.00 32.23 32.63 1wyn h LYS 18 CO 0.00 0.65 0.40 -1.91 -1.08 0.00 0.00 179.45 177.52 1wyn n GLU 19 N -4.61 -0.06 -0.06 3.15 2.13 -0.99 0.21 120.64 120.42 1wyn n GLU 19 Ca -0.05 1.27 -0.15 0.00 0.66 0.00 0.00 57.16 58.89 1wyn n GLU 19 Cb 0.29 -2.22 -0.04 0.00 0.27 0.00 0.00 31.44 29.74 1wyn n GLU 19 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1wyn h ALA 20 N 1.81 0.46 -0.55 4.31 0.00 -1.79 -3.00 119.26 120.51 1wyn h ALA 20 Ca 0.73 -0.53 0.04 0.00 0.00 0.00 0.00 54.91 55.14 1wyn h ALA 20 Cb 1.87 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 19.55 1wyn h ALA 20 CO -0.72 0.68 0.31 0.93 0.00 0.00 0.00 179.25 180.45 1wyn h GLU 21 N 0.62 0.58 0.39 0.00 5.08 0.25 -0.20 114.58 121.31 1wyn h GLU 21 Ca 0.00 -0.04 -0.02 0.00 -1.00 0.00 0.00 59.36 58.31 1wyn h GLU 21 Cb 1.20 -0.13 0.00 0.00 0.50 0.00 0.00 28.75 30.32 1wyn h GLU 21 CO 0.13 0.39 -0.19 -0.07 -1.00 0.00 0.00 179.01 178.26 1wyn h LEU 22 N 0.60 -0.45 -1.05 1.33 3.38 -1.26 0.18 115.31 118.05 1wyn h LEU 22 Ca 0.23 0.02 0.27 0.00 0.09 0.00 0.00 57.88 58.49 1wyn h LEU 22 Cb 0.09 0.12 -0.13 0.00 0.09 0.00 0.00 40.66 40.83 1wyn h LEU 22 CO -0.13 -0.32 0.60 0.08 0.09 0.00 0.00 178.44 178.76 1wyn h ARG 23 N -0.54 0.49 0.00 1.13 0.11 -1.50 0.95 114.38 115.02 1wyn h ARG 23 Ca -0.05 -0.03 -0.09 0.00 0.10 0.00 0.00 59.98 59.91 1wyn h ARG 23 Cb 0.41 -0.11 -0.01 0.00 1.11 0.00 0.00 29.97 31.36 1wyn h ARG 23 CO 0.09 0.32 -0.43 1.15 0.10 0.00 0.00 179.97 181.20 1wyn h THR 24 N 0.50 1.05 0.00 0.08 2.02 -0.86 0.29 112.91 115.99 1wyn h THR 24 Ca 0.66 -1.63 -0.16 0.00 0.77 0.00 0.00 66.41 66.05 1wyn h THR 24 Cb 1.37 1.95 -0.03 0.00 -1.74 0.00 0.00 68.15 69.71 1wyn h THR 24 CO -0.48 0.42 -1.14 -0.25 0.37 0.00 0.00 175.52 174.44 1wyn h TRP 25 N 0.00 0.00 0.11 3.16 7.01 0.38 -3.31 115.95 123.30 1wyn h TRP 25 Ca -0.00 0.00 -0.32 0.00 2.11 0.00 0.00 58.89 60.67 1wyn h TRP 25 Cb 0.91 0.00 -0.01 0.00 -2.10 0.00 0.00 29.16 27.96 1wyn h TRP 25 CO 0.00 0.62 -1.72 0.82 -2.79 0.00 0.00 178.44 175.37 1wyn h ILE 26 N 0.00 0.80 -0.84 2.65 2.04 0.23 -3.20 117.51 119.20 1wyn h ILE 26 Ca -0.11 -2.35 0.15 0.00 1.00 0.00 0.00 64.86 63.55 1wyn h ILE 26 Cb 1.57 2.54 -0.06 0.00 -0.74 0.00 0.00 36.82 40.13 1wyn h ILE 26 CO 0.06 0.76 0.55 -0.33 0.00 0.00 0.00 178.15 179.19 1wyn h GLU 27 N -0.18 0.53 0.11 2.37 4.39 -0.58 -0.96 114.58 120.25 1wyn h GLU 27 Ca -0.37 -0.03 -0.27 0.00 0.34 0.00 0.00 59.36 59.03 1wyn h GLU 27 Cb 1.87 -0.12 0.00 0.00 -0.10 0.00 0.00 28.75 30.40 1wyn h GLU 27 CO 0.05 0.35 -1.19 0.78 -1.16 0.00 0.00 179.01 177.84 1wyn h GLY 28 N 0.55 0.33 0.72 -3.84 0.00 -1.71 0.17 103.07 99.30 1wyn h GLY 28 Ca 0.42 -0.79 -0.04 0.00 0.00 0.00 0.00 47.33 46.92 1wyn h GLY 28 CO -0.17 0.69 -0.35 1.41 0.00 0.00 0.00 176.54 178.13 1wyn h LEU 29 N 0.10 -0.82 -0.02 3.11 3.38 -1.19 -3.27 115.31 116.59 1wyn h LEU 29 Ca -0.12 0.03 -0.21 0.00 0.09 0.00 0.00 57.88 57.66 1wyn h LEU 29 Cb 1.90 0.21 -0.03 0.00 0.09 0.00 0.00 40.66 42.84 1wyn h LEU 29 CO 0.20 -0.56 -1.00 0.71 0.09 0.00 0.00 178.44 177.87 1wyn h THR 30 N -1.03 1.69 0.00 0.22 1.35 -1.51 -3.48 112.91 110.15 1wyn h THR 30 Ca -0.10 -3.34 0.00 0.00 -0.55 0.00 0.00 66.41 62.42 1wyn h THR 30 Cb 0.75 2.83 0.00 0.00 -1.73 0.00 0.00 68.15 69.99 1wyn h THR 30 CO 0.16 0.96 0.00 0.61 -0.25 0.00 0.00 175.52 177.00 1wyn n GLY 31 N 1.32 0.48 2.39 5.82 0.00 0.61 -5.05 105.19 110.76 1wyn n GLY 31 Ca -0.01 -0.74 -0.12 0.00 0.00 0.00 0.00 46.02 45.15 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 -4.15 0.99 4.77 -1.18 -4.99 117.00 112.44 1wyn n LEU 32 Ca 0.00 -1.53 -0.31 0.00 -0.03 0.00 0.00 56.01 54.14 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 -0.63 -0.53 -0.44 -1.33 0.00 0.00 177.39 174.46 1wyn s SER 33 N -3.20 2.81 -0.01 -1.43 0.01 -1.26 -4.68 113.70 105.93 1wyn s SER 33 Ca 0.37 -0.51 -0.20 0.00 1.31 0.00 0.00 55.95 56.92 1wyn s SER 33 Cb -0.03 -1.29 -0.28 0.00 0.21 0.00 0.00 66.02 64.63 1wyn s SER 33 CO 0.24 0.10 1.00 0.40 0.41 0.00 0.00 173.24 175.39 1wyn h ILE 34 N 5.81 1.45 0.00 1.44 2.04 -1.93 -3.49 117.51 122.83 1wyn h ILE 34 Ca -0.26 -2.34 0.00 0.00 1.00 0.00 0.00 64.86 63.26 1wyn h ILE 34 Cb 1.21 2.90 0.00 0.00 -0.74 0.00 0.00 36.82 40.19 1wyn h ILE 34 CO 0.50 0.68 0.00 0.61 0.00 0.00 0.00 178.15 179.93 1wyn n GLY 35 N 1.39 -0.39 0.00 5.37 0.00 -1.26 -3.84 105.19 106.46 1wyn n GLY 35 Ca -0.12 -2.27 0.06 0.00 0.00 0.00 0.00 46.02 43.68 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 -0.59 0.49 -3.74 1.61 -0.04 -1.26 -4.58 135.00 126.89 1wyn n PRO 36 Ca 0.00 0.00 -0.13 0.00 -0.04 0.00 0.00 63.50 63.33 1wyn n PRO 36 Cb 0.00 -1.37 -0.14 0.00 -0.04 0.00 0.00 33.50 31.95 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 -1.87 -0.16 -0.04 3.54 1.11 -1.26 -5.07 116.67 112.92 1wyn s ASP 37 Ca 0.17 0.38 -0.09 0.00 0.18 0.00 0.00 52.55 53.19 1wyn s ASP 37 Cb 0.08 0.26 -0.05 0.00 1.07 0.00 0.00 42.92 44.28 1wyn s ASP 37 CO 0.13 -0.16 0.44 0.15 1.18 0.00 0.00 175.17 176.92 1wyn h PHE 38 N 7.24 -0.30 -0.88 4.23 3.57 -1.90 -0.35 116.94 128.55 1wyn h PHE 38 Ca -0.42 -0.01 0.21 0.00 3.53 0.00 0.00 57.97 61.28 1wyn h PHE 38 Cb 1.14 0.10 -0.16 0.00 2.79 0.00 0.00 35.95 39.82 1wyn h PHE 38 CO 0.41 -0.19 -0.05 0.37 -2.23 0.00 0.00 178.31 176.62 1wyn h GLN 39 N -0.86 0.04 0.33 1.11 -0.00 -1.97 -0.27 115.11 113.48 1wyn h GLN 39 Ca -0.03 -0.00 -0.02 0.00 -0.00 0.00 0.00 58.65 58.60 1wyn h GLN 39 Cb 0.25 -0.01 0.00 0.00 0.00 0.00 0.00 27.48 27.72 1wyn h GLN 39 CO 0.05 0.03 -0.16 0.87 0.00 0.00 0.00 178.83 179.63 1wyn h LYS 40 N 0.05 -0.42 -1.64 1.69 1.57 -1.92 0.55 116.57 116.45 1wyn h LYS 40 Ca 0.48 0.03 0.50 0.00 -1.87 0.00 0.00 60.65 59.79 1wyn h LYS 40 Cb 0.88 0.10 -0.09 0.00 0.08 0.00 0.00 32.23 33.19 1wyn h LYS 40 CO -0.82 -0.28 1.15 0.41 -0.57 0.00 0.00 179.45 179.33 1wyn n GLY 41 N 0.25 -0.87 0.12 3.86 0.00 -0.14 0.10 105.19 108.51 1wyn n GLY 41 Ca -0.05 0.66 -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 1.04 0.00 0.00 0.00 173.32 174.36 1wyn n LEU 42 N -4.04 1.86 -0.15 0.99 4.77 -0.16 -4.54 117.00 115.72 1wyn n LEU 42 Ca 0.40 0.06 -0.04 0.00 -0.03 0.00 0.00 56.01 56.40 1wyn n LEU 42 Cb 1.73 -0.46 -0.04 0.00 -2.33 0.00 0.00 43.42 42.32 1wyn n LEU 42 CO 0.33 0.73 0.39 1.17 -1.33 0.00 0.00 177.39 178.67 1wyn n LYS 43 N -3.16 -0.16 -0.40 3.23 4.81 0.29 0.19 118.16 122.96 1wyn n LYS 43 Ca -0.35 0.97 0.35 0.00 -0.87 0.00 0.00 58.31 58.41 1wyn n LYS 43 Cb 1.05 -1.44 0.62 0.00 0.02 0.00 0.00 35.03 35.29 1wyn n LYS 43 CO 0.00 0.00 0.00 -0.44 1.17 0.00 0.00 177.40 178.13 1wyn h ASP 44 N 0.00 0.28 -0.54 3.14 3.32 -1.78 -3.45 116.42 117.40 1wyn h ASP 44 Ca 0.06 0.19 0.00 0.00 0.02 0.00 0.00 57.03 57.29 1wyn h ASP 44 Cb 0.15 0.18 0.00 0.00 0.22 0.00 0.00 39.33 39.88 1wyn h ASP 44 CO -0.34 -0.28 0.00 0.61 -1.72 0.00 0.00 179.24 177.51 1wyn n GLY 45 N -1.42 0.87 0.10 2.75 0.00 0.51 -4.29 105.19 103.71 1wyn n GLY 45 Ca 0.38 -0.61 -0.20 0.00 0.00 0.00 0.00 46.02 45.60 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 -2.50 1.52 -0.06 2.61 -2.24 -1.26 -4.26 114.28 108.09 1wyn n THR 46 Ca 0.00 -0.00 -0.13 0.00 -2.27 0.00 0.00 64.05 61.64 1wyn n THR 46 Cb 0.40 -2.09 -0.12 0.00 -2.10 0.00 0.00 70.33 66.42 1wyn n THR 46 CO 0.00 0.00 0.00 0.40 -0.57 0.00 0.00 175.07 174.90 1wyn h ILE 47 N -1.00 1.68 -1.86 2.28 2.04 -1.89 -3.23 117.51 115.53 1wyn h ILE 47 Ca -0.31 -2.15 0.55 0.00 1.00 0.00 0.00 64.86 63.95 1wyn h ILE 47 Cb 1.20 3.12 -0.09 0.00 -0.74 0.00 0.00 36.82 40.31 1wyn h ILE 47 CO -0.19 0.55 1.32 0.18 0.00 0.00 0.00 178.15 180.01 1wyn n LEU 48 N -4.65 0.03 -0.02 1.44 4.77 -1.26 0.04 117.00 117.35 1wyn n LEU 48 Ca -0.09 1.05 -0.06 0.00 -0.03 0.00 0.00 56.01 56.87 1wyn n LEU 48 Cb 0.44 -0.52 -0.05 0.00 -2.33 0.00 0.00 43.42 40.95 1wyn n LEU 48 CO 0.33 -1.06 0.19 0.00 -1.33 0.00 0.00 177.39 175.51 1wyn h THR 50 N -0.99 0.88 -0.60 0.00 1.35 -0.41 -1.51 112.91 111.62 1wyn h THR 50 Ca -0.01 -0.31 0.12 0.00 -0.55 0.00 0.00 66.41 65.66 1wyn h THR 50 Cb 0.39 -0.11 -0.09 0.00 -1.73 0.00 0.00 68.15 66.61 1wyn h THR 50 CO 0.01 0.17 0.06 0.25 -0.25 0.00 0.00 175.52 175.76 1wyn h LEU 51 N 0.91 -0.13 0.04 3.87 5.85 -0.88 -1.81 115.31 123.16 1wyn h LEU 51 Ca 0.49 0.13 -0.00 0.00 0.84 0.00 0.00 57.88 59.34 1wyn h LEU 51 Cb 0.53 0.21 0.00 0.00 0.37 0.00 0.00 40.66 41.77 1wyn h LEU 51 CO -0.29 -0.05 -0.02 -0.03 -0.34 0.00 0.00 178.44 177.71 1wyn h MET 52 N 0.18 -0.06 -0.42 1.25 4.05 -1.36 -2.51 114.93 116.07 1wyn h MET 52 Ca 0.31 0.00 0.12 0.00 -0.28 0.00 0.00 59.70 59.86 1wyn h MET 52 Cb 0.49 0.01 -0.02 0.00 -0.80 0.00 0.00 31.60 31.29 1wyn h MET 52 CO -0.46 0.19 0.61 -0.91 0.23 0.00 0.00 176.91 176.56 1wyn h ASN 53 N -0.29 0.00 0.18 1.39 2.35 -0.89 0.33 115.58 118.65 1wyn h ASN 53 Ca -0.01 0.00 -0.25 0.00 -0.55 0.00 0.00 56.30 55.50 1wyn h ASN 53 Cb 0.27 0.00 0.03 0.00 0.05 0.00 0.00 38.32 38.66 1wyn h ASN 53 CO 0.01 0.00 -1.10 0.11 -1.65 0.00 0.00 177.43 174.80 1wyn h LYS 54 N 0.00 0.38 0.20 0.81 1.79 -0.92 -3.38 116.57 115.45 1wyn h LYS 54 Ca 0.20 -0.66 -0.01 0.00 -2.18 0.00 0.00 60.65 58.00 1wyn h LYS 54 Cb 1.41 0.24 0.00 0.00 -1.58 0.00 0.00 32.23 32.31 1wyn h LYS 54 CO -0.00 1.31 -0.10 -0.07 -1.08 0.00 0.00 179.45 179.52 1wyn h LEU 55 N -0.18 -0.23 -8.78 2.94 3.38 -0.26 -3.43 115.31 108.76 1wyn h LEU 55 Ca -0.20 -0.29 -0.64 0.00 0.09 0.00 0.00 57.88 56.84 1wyn h LEU 55 Cb 1.85 0.06 -0.20 0.00 0.09 0.00 0.00 40.66 42.45 1wyn h LEU 55 CO 0.19 0.30 -0.59 -1.58 0.09 0.00 0.00 178.44 176.85 1wyn s GLN 56 N -3.45 3.77 -1.15 1.13 0.74 0.51 -5.02 119.66 116.19 1wyn s GLN 56 Ca -0.12 -0.42 -0.23 0.00 0.05 0.00 0.00 55.36 54.64 1wyn s GLN 56 Cb 0.01 -3.38 -0.08 0.00 1.10 0.00 0.00 33.01 30.66 1wyn s GLN 56 CO 0.44 -0.11 1.94 -1.25 -0.55 0.00 0.00 175.29 175.76 1wyn s PRO 57 N 1.43 2.50 0.00 1.67 0.04 -1.26 -3.32 135.00 136.06 1wyn s PRO 57 Ca 0.06 -1.06 0.00 0.00 0.04 0.00 0.00 61.00 60.03 1wyn s PRO 57 Cb -0.15 -5.22 0.00 0.00 0.04 0.00 0.00 34.50 29.17 1wyn s PRO 57 CO 0.05 -3.92 0.00 0.41 0.04 0.00 0.00 177.00 173.58 1wyn n GLY 58 N 5.93 0.67 0.07 0.56 0.00 -1.26 -5.11 105.19 106.05 1wyn n GLY 58 Ca 0.44 -0.44 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 -4.69 1.61 3.41 -1.21 -4.96 113.62 107.78 1wyn n SER 59 Ca 0.00 0.00 -0.41 0.00 -0.26 0.00 0.00 58.87 58.20 1wyn n SER 59 Cb 0.00 -0.41 -0.04 0.00 -0.26 0.00 0.00 64.21 63.51 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 -0.88 4.91 -0.02 -3.33 1.01 -1.26 -4.88 120.40 115.95 1wyn s VAL 60 Ca 0.00 1.67 -0.26 0.00 0.00 0.00 0.00 61.98 63.40 1wyn s VAL 60 Cb 0.00 -4.15 -0.20 0.00 0.00 0.00 0.00 36.38 32.03 1wyn s VAL 60 CO 0.00 0.09 1.24 1.55 0.00 0.00 0.00 175.10 177.99 1wyn h PRO 61 N 7.11 -0.04 -3.05 2.72 0.13 -1.97 -3.48 132.00 133.43 1wyn h PRO 61 Ca -0.34 0.00 -0.09 0.00 -0.87 0.00 0.00 66.00 64.71 1wyn h PRO 61 Cb 1.16 0.01 -0.17 0.00 0.13 0.00 0.00 31.00 32.13 1wyn h PRO 61 CO 0.81 0.43 -0.15 0.21 -0.23 0.00 0.00 178.00 179.06 1wyn s LYS 62 N -4.24 0.86 -0.15 0.86 2.47 -1.26 -5.16 119.74 113.13 1wyn s LYS 62 Ca -0.16 -0.34 0.02 0.00 -1.56 0.00 0.00 55.97 53.93 1wyn s LYS 62 Cb 0.02 0.38 0.01 0.00 -1.46 0.00 0.00 37.83 36.78 1wyn s LYS 62 CO 0.65 -0.28 -0.21 0.42 0.16 0.00 0.00 175.35 176.09 1wyn s ILE 63 N -2.26 2.10 -0.93 5.43 1.01 -1.26 -4.90 121.20 120.40 1wyn s ILE 63 Ca -0.07 -0.96 -0.20 0.00 0.00 0.00 0.00 60.65 59.42 1wyn s ILE 63 Cb -0.01 -1.85 0.10 0.00 0.01 0.00 0.00 42.46 40.71 1wyn s ILE 63 CO -0.01 0.55 1.21 0.20 0.00 0.00 0.00 174.94 176.88 1wyn s ASN 64 N 0.88 6.55 0.52 3.58 0.01 -1.26 -4.85 114.94 120.37 1wyn s ASN 64 Ca -0.05 -1.76 0.21 0.00 -0.71 0.00 0.00 52.86 50.54 1wyn s ASN 64 Cb -0.15 -2.45 1.31 0.00 0.41 0.00 0.00 41.25 40.37 1wyn s ASN 64 CO -0.03 -1.23 2.05 -0.09 -1.51 0.00 0.00 177.10 176.29 1wyn h ARG 65 N 9.19 0.04 -6.22 -0.60 2.43 -1.94 -3.42 114.38 113.86 1wyn h ARG 65 Ca 0.12 -0.00 -0.60 0.00 -0.81 0.00 0.00 59.98 58.69 1wyn h ARG 65 Cb 1.02 -0.01 0.16 0.00 -0.42 0.00 0.00 29.97 30.73 1wyn h ARG 65 CO 1.21 0.03 -0.68 0.45 -1.51 0.00 0.00 179.97 179.47 1wyn n SER 66 N -4.45 -1.93 -2.09 -3.80 2.88 -1.26 -4.84 113.62 98.14 1wyn n SER 66 Ca 0.05 0.80 -0.25 0.00 -1.33 0.00 0.00 58.87 58.14 1wyn n SER 66 Cb 0.38 -1.02 0.06 0.00 -0.75 0.00 0.00 64.21 62.89 1wyn n SER 66 CO 0.00 0.00 0.00 0.80 -1.23 0.00 0.00 175.04 174.61 1wyn n MET 67 N 0.81 2.20 -3.65 -1.46 1.56 -1.26 -4.44 117.12 110.88 1wyn n MET 67 Ca 0.11 -2.36 -0.27 0.00 -0.27 0.00 0.00 57.70 54.91 1wyn n MET 67 Cb 0.43 -1.92 -0.03 0.00 2.15 0.00 0.00 33.22 33.84 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 -2.74 3.53 0.00 2.12 -1.52 -1.26 -4.96 119.66 114.84 1wyn s GLN 68 Ca 0.46 -0.30 0.00 0.00 -1.95 0.00 0.00 55.36 53.57 1wyn s GLN 68 Cb 0.37 -2.81 0.00 0.00 -0.22 0.00 0.00 33.01 30.34 1wyn s GLN 68 CO -0.00 0.38 0.88 0.09 -0.25 0.00 0.00 175.29 176.38 1wyn n ASN 69 N -0.71 0.00 -0.17 5.90 4.13 -1.26 -0.11 115.26 123.04 1wyn n ASN 69 Ca -0.04 0.88 -0.11 0.00 1.68 0.00 0.00 54.58 56.98 1wyn n ASN 69 Cb 0.54 -0.38 -0.07 0.00 -1.54 0.00 0.00 39.78 38.33 1wyn n ASN 69 CO 0.00 0.00 0.00 4.11 0.28 0.00 0.00 177.26 181.65 1wyn h TRP 70 N 0.00 -1.49 -0.61 3.10 0.09 -1.99 0.63 115.95 115.68 1wyn h TRP 70 Ca 0.00 0.08 0.12 0.00 0.09 0.00 0.00 58.89 59.18 1wyn h TRP 70 Cb 0.00 0.72 -0.12 0.00 0.08 0.00 0.00 29.16 29.84 1wyn h TRP 70 CO -0.15 -0.46 -0.25 0.45 0.09 0.00 0.00 178.44 178.13 1wyn h HIS 71 N -0.31 -0.63 -0.82 0.12 3.86 -1.89 0.29 115.15 115.77 1wyn h HIS 71 Ca 0.12 0.06 0.05 0.00 -1.16 0.00 0.00 60.37 59.45 1wyn h HIS 71 Cb 0.58 0.37 -0.06 0.00 1.06 0.00 0.00 27.41 29.36 1wyn h HIS 71 CO -0.71 -0.33 0.51 1.96 0.86 0.00 0.00 177.93 180.21 1wyn h GLN 72 N -0.09 0.91 0.64 2.45 4.20 0.96 -2.91 115.11 121.28 1wyn h GLN 72 Ca 0.27 -0.05 -0.03 0.00 0.06 0.00 0.00 58.65 58.90 1wyn h GLN 72 Cb 0.52 -0.21 0.01 0.00 0.30 0.00 0.00 27.48 28.10 1wyn h GLN 72 CO -0.67 0.60 -0.31 -0.07 -0.67 0.00 0.00 178.83 177.71 1wyn h LEU 73 N 0.94 -0.73 -0.96 1.46 -0.00 0.14 -2.98 115.31 113.18 1wyn h LEU 73 Ca 0.35 -0.02 0.39 0.00 -0.00 0.00 0.00 57.88 58.60 1wyn h LEU 73 Cb 0.13 0.19 -0.16 0.00 -0.00 0.00 0.00 40.66 40.82 1wyn h LEU 73 CO -0.16 -0.40 0.53 1.21 -0.00 0.00 0.00 178.44 179.63 1wyn n GLU 74 N -5.39 -0.05 0.23 1.13 4.07 0.75 -0.52 120.64 120.85 1wyn n GLU 74 Ca -0.12 1.25 -0.11 0.00 -0.06 0.00 0.00 57.16 58.12 1wyn n GLU 74 Cb 0.37 -2.28 -0.06 0.00 -0.06 0.00 0.00 31.44 29.41 1wyn n GLU 74 CO 0.00 0.00 0.00 -0.91 -0.06 0.00 0.00 177.13 176.16 1wyn h ASN 75 N 0.00 -0.74 0.14 4.31 2.35 -1.36 -1.45 115.58 118.84 1wyn h ASN 75 Ca 0.78 0.05 0.01 0.00 -0.55 0.00 0.00 56.30 56.59 1wyn h ASN 75 Cb 2.13 0.22 -0.05 0.00 0.05 0.00 0.00 38.32 40.67 1wyn h ASN 75 CO -0.68 -0.42 -0.48 -0.07 -1.65 0.00 0.00 177.43 174.13 1wyn h LEU 76 N -0.66 -1.44 -0.91 1.61 3.38 -0.83 0.69 115.31 117.15 1wyn h LEU 76 Ca -0.05 0.15 0.15 0.00 0.09 0.00 0.00 57.88 58.22 1wyn h LEU 76 Cb 0.54 0.53 -0.15 0.00 0.09 0.00 0.00 40.66 41.67 1wyn h LEU 76 CO 0.04 -0.54 -0.36 0.77 0.09 0.00 0.00 178.44 178.44 1wyn h SER 77 N -0.73 -1.31 0.32 -0.43 4.64 -1.32 0.26 113.55 114.99 1wyn h SER 77 Ca 0.00 0.29 -0.02 0.00 -0.47 0.00 0.00 61.79 61.60 1wyn h SER 77 Cb 0.74 0.70 0.00 0.00 -0.31 0.00 0.00 62.40 63.53 1wyn h SER 77 CO -0.26 -0.29 -0.16 0.78 -0.87 0.00 0.00 176.83 176.03 1wyn h ASN 78 N -0.03 -0.37 -0.73 4.97 2.35 -0.74 -2.25 115.58 118.77 1wyn h ASN 78 Ca 0.34 -0.03 0.16 0.00 -0.55 0.00 0.00 56.30 56.22 1wyn h ASN 78 Cb 0.60 0.10 -0.11 0.00 0.05 0.00 0.00 38.32 38.95 1wyn h ASN 78 CO -0.93 -0.21 0.14 0.15 -1.65 0.00 0.00 177.43 174.94 1wyn h PHE 79 N -0.50 0.21 0.63 1.19 3.57 0.11 -1.24 116.94 120.91 1wyn h PHE 79 Ca -0.04 0.04 -0.03 0.00 3.53 0.00 0.00 57.97 61.47 1wyn h PHE 79 Cb 0.38 0.02 0.00 0.00 2.79 0.00 0.00 35.95 39.14 1wyn h PHE 79 CO -0.04 -0.12 -0.36 0.82 -2.23 0.00 0.00 178.31 176.39 1wyn h ILE 80 N 0.23 0.00 -1.06 1.41 2.04 -0.40 -2.55 117.51 117.19 1wyn h ILE 80 Ca 0.41 0.00 0.34 0.00 1.00 0.00 0.00 64.86 66.61 1wyn h ILE 80 Cb 0.71 0.00 -0.14 0.00 -0.74 0.00 0.00 36.82 36.65 1wyn h ILE 80 CO -0.53 0.00 0.63 0.11 0.00 0.00 0.00 178.15 178.35 1wyn h LYS 81 N -0.92 0.27 -0.60 2.37 1.57 -0.92 0.50 116.57 118.85 1wyn h LYS 81 Ca -0.09 -0.02 0.01 0.00 -1.87 0.00 0.00 60.65 58.69 1wyn h LYS 81 Cb 0.72 -0.06 -0.03 0.00 0.08 0.00 0.00 32.23 32.94 1wyn h LYS 81 CO 0.10 0.18 0.39 0.00 -0.57 0.00 0.00 179.45 179.56 1wyn h ALA 82 N 1.79 0.77 -0.40 3.86 0.00 -0.88 -2.72 119.26 121.67 1wyn h ALA 82 Ca 0.74 -0.04 0.06 0.00 0.00 0.00 0.00 54.91 55.68 1wyn h ALA 82 Cb 1.83 -0.23 -0.05 0.00 0.00 0.00 0.00 17.79 19.34 1wyn h ALA 82 CO -0.55 0.17 0.09 0.52 0.00 0.00 0.00 179.25 179.48 1wyn h MET 83 N 0.79 0.21 -0.86 0.00 2.86 0.40 -1.74 114.93 116.59 1wyn h MET 83 Ca 0.23 -0.01 0.21 0.00 -2.06 0.00 0.00 59.70 58.07 1wyn h MET 83 Cb -0.07 -0.05 -0.13 0.00 0.06 0.00 0.00 31.60 31.42 1wyn h MET 83 CO -0.06 0.14 0.29 0.28 1.06 0.00 0.00 176.91 178.62 1wyn h VAL 84 N 0.22 0.42 -0.42 -2.22 2.07 -1.27 0.23 116.25 115.28 1wyn h VAL 84 Ca 0.19 -0.10 -0.12 0.00 0.82 0.00 0.00 66.70 67.49 1wyn h VAL 84 Cb 0.23 0.09 -0.01 0.00 -1.52 0.00 0.00 31.29 30.08 1wyn h VAL 84 CO -0.25 0.05 -0.23 -1.28 0.02 0.00 0.00 177.57 175.89 1wyn h SER 85 N 0.30 0.86 -0.58 0.57 0.87 -1.30 -3.16 113.55 111.11 1wyn h SER 85 Ca 0.53 -0.32 0.12 0.00 -1.23 0.00 0.00 61.79 60.89 1wyn h SER 85 Cb 1.02 -0.24 -0.11 0.00 -0.44 0.00 0.00 62.40 62.63 1wyn h SER 85 CO -0.57 1.05 -0.16 0.22 -0.53 0.00 0.00 176.83 176.83 1wyn h TYR 86 N 0.73 -0.37 0.00 2.24 3.20 0.07 -3.45 116.97 119.39 1wyn h TYR 86 Ca 0.10 0.05 0.00 0.00 3.14 0.00 0.00 58.73 62.02 1wyn h TYR 86 Cb 0.76 0.25 0.00 0.00 1.54 0.00 0.00 36.73 39.28 1wyn h TYR 86 CO 0.04 -0.27 0.00 0.41 -1.64 0.00 0.00 178.16 176.71 1wyn n GLY 87 N -1.41 0.15 4.00 1.82 0.00 -1.08 -5.12 105.19 103.54 1wyn n GLY 87 Ca 0.06 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.89 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 2.60 0.39 1.61 -1.94 -1.24 -5.02 119.30 115.70 1wyn s MET 88 Ca 0.00 -1.19 -0.02 0.00 -1.71 0.00 0.00 55.69 52.78 1wyn s MET 88 Cb 0.00 -2.65 -0.03 0.00 2.01 0.00 0.00 34.83 34.16 1wyn s MET 88 CO 0.00 -0.55 0.63 -0.80 -0.01 0.00 0.00 175.02 174.29 1wyn s ASN 89 N -4.44 6.29 0.00 3.03 0.01 -1.26 -4.86 114.94 113.71 1wyn s ASN 89 Ca 0.57 0.62 0.15 0.00 -0.71 0.00 0.00 52.86 53.49 1wyn s ASN 89 Cb -0.09 -2.11 0.70 0.00 0.41 0.00 0.00 41.25 40.16 1wyn s ASN 89 CO 0.36 -0.39 1.42 -0.81 -1.51 0.00 0.00 177.10 176.17 1wyn n PRO 90 N -1.93 0.14 0.00 -0.60 -0.04 -1.26 -1.96 135.00 129.35 1wyn n PRO 90 Ca -0.03 0.18 0.08 0.00 -0.04 0.00 0.00 63.50 63.69 1wyn n PRO 90 Cb 0.56 -1.50 -0.08 0.00 -0.04 0.00 0.00 33.50 32.44 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 -1.35 0.00 -0.90 0.52 0.24 -1.26 -4.32 118.33 111.26 1wyn n VAL 91 Ca 0.06 -0.15 0.04 0.00 -2.04 0.00 0.00 64.34 62.25 1wyn n VAL 91 Cb 0.13 1.03 0.38 0.00 -1.47 0.00 0.00 33.84 33.91 1wyn n VAL 91 CO 0.00 0.00 0.00 0.47 -2.14 0.00 0.00 176.83 175.16 1wyn n ASP 92 N -1.20 5.53 -4.91 -1.34 8.00 -0.83 -4.95 116.55 116.85 1wyn n ASP 92 Ca 0.04 -2.98 -0.26 0.00 0.71 0.00 0.00 54.79 52.30 1wyn n ASP 92 Cb 0.26 -0.70 -0.00 0.00 -0.02 0.00 0.00 41.12 40.66 1wyn n ASP 92 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1wyn s LEU 93 N -2.77 2.73 0.10 0.64 1.43 -1.25 -4.37 118.68 115.20 1wyn s LEU 93 Ca 0.54 -1.22 -0.07 0.00 -1.03 0.00 0.00 54.13 52.36 1wyn s LEU 93 Cb 0.42 -1.22 -0.01 0.00 0.03 0.00 0.00 46.19 45.40 1wyn s LEU 93 CO 0.15 -1.12 0.16 0.72 0.23 0.00 0.00 176.35 176.49 1wyn s PHE 94 N -2.76 0.34 0.22 0.29 -0.12 -1.26 -4.81 117.98 109.88 1wyn s PHE 94 Ca 0.36 -0.77 -0.06 0.00 -0.05 0.00 0.00 56.93 56.41 1wyn s PHE 94 Cb -0.02 -0.15 -0.06 0.00 -0.63 0.00 0.00 43.02 42.15 1wyn s PHE 94 CO 0.22 -0.56 0.49 -1.21 -0.05 0.00 0.00 175.22 174.12 1wyn s GLU 95 N -3.91 3.69 0.39 1.99 2.02 -1.26 -4.97 118.70 116.64 1wyn s GLU 95 Ca 0.10 0.06 0.05 0.00 0.02 0.00 0.00 54.97 55.20 1wyn s GLU 95 Cb 0.05 -2.72 0.78 0.00 0.10 0.00 0.00 34.13 32.34 1wyn s GLU 95 CO -0.07 0.34 2.04 0.00 0.02 0.00 0.00 175.26 177.59 1wyn h ALA 96 N 2.37 1.65 -0.32 5.21 0.00 -1.96 -2.48 119.26 123.73 1wyn h ALA 96 Ca -0.47 -0.03 -0.06 0.00 0.00 0.00 0.00 54.91 54.35 1wyn h ALA 96 Cb 1.17 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.75 1wyn h ALA 96 CO 0.69 0.33 -0.03 -2.95 0.00 0.00 0.00 179.25 177.29 1wyn h ASN 97 N 0.67 0.59 -1.00 0.00 -1.07 -1.97 -0.40 115.58 112.40 1wyn h ASN 97 Ca 0.18 -0.33 0.31 0.00 0.07 0.00 0.00 56.30 56.53 1wyn h ASN 97 Cb -0.08 -0.16 -0.18 0.00 -2.07 0.00 0.00 38.32 35.83 1wyn h ASN 97 CO -0.04 0.78 0.17 0.44 0.07 0.00 0.00 177.43 178.86 1wyn h ASP 98 N 0.38 -0.25 0.00 6.14 3.32 -1.72 0.28 116.42 124.58 1wyn h ASP 98 Ca 0.09 0.28 -0.18 0.00 0.02 0.00 0.00 57.03 57.23 1wyn h ASP 98 Cb 0.50 0.43 -0.03 0.00 0.22 0.00 0.00 39.33 40.45 1wyn h ASP 98 CO 0.02 -0.38 -0.97 0.25 -1.72 0.00 0.00 179.24 176.44 1wyn h LEU 99 N 0.01 0.00 -0.21 1.55 5.85 -1.61 0.66 115.31 121.56 1wyn h LEU 99 Ca 0.67 -0.63 0.03 0.00 0.84 0.00 0.00 57.88 58.80 1wyn h LEU 99 Cb 1.53 -0.00 -0.05 0.00 0.37 0.00 0.00 40.66 42.51 1wyn h LEU 99 CO -0.88 1.38 -0.36 0.15 -0.34 0.00 0.00 178.44 178.39 1wyn h PHE 100 N -0.99 -1.10 -0.98 1.25 3.57 0.03 -1.80 116.94 116.92 1wyn h PHE 100 Ca -0.27 0.05 -0.63 0.00 3.53 0.00 0.00 57.97 60.65 1wyn h PHE 100 Cb 1.24 0.51 -0.30 0.00 2.79 0.00 0.00 35.95 40.19 1wyn h PHE 100 CO 0.14 -0.33 0.76 0.39 -2.23 0.00 0.00 178.31 177.04 1wyn n GLU 101 N -4.44 2.59 -2.09 1.11 -0.58 0.90 -4.87 120.64 113.26 1wyn n GLU 101 Ca -0.03 -3.24 0.00 0.00 -0.42 0.00 0.00 57.16 53.47 1wyn n GLU 101 Cb 0.23 -2.25 0.00 0.00 -0.57 0.00 0.00 31.44 28.85 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 -0.98 -0.76 0.24 1.62 3.41 -0.68 -4.67 113.62 111.80 1wyn n SER 102 Ca 0.61 0.38 0.16 0.00 -0.26 0.00 0.00 58.87 59.76 1wyn n SER 102 Cb 0.94 -0.83 0.85 0.00 -0.26 0.00 0.00 64.21 64.91 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 0.21 -3.41 103.07 98.95 1wyn h GLY 103 Ca 0.00 0.00 0.25 0.00 0.00 0.00 0.00 47.33 47.58 1wyn h GLY 103 CO 0.00 0.00 0.28 0.21 0.00 0.00 0.00 176.54 177.03 1wyn s ASN 104 N -4.48 -0.29 0.00 0.19 3.84 0.40 -4.83 114.94 109.77 1wyn s ASN 104 Ca -0.03 0.26 0.22 0.00 0.21 0.00 0.00 52.86 53.51 1wyn s ASN 104 Cb 0.09 1.28 -0.14 0.00 -0.55 0.00 0.00 41.25 41.93 1wyn s ASN 104 CO 0.28 -0.06 0.89 0.23 -2.79 0.00 0.00 177.10 175.66 1wyn n MET 105 N 5.21 0.17 0.10 0.43 2.81 -1.26 -4.08 117.12 120.49 1wyn n MET 105 Ca -0.08 -0.04 -0.20 0.00 -1.81 0.00 0.00 57.70 55.57 1wyn n MET 105 Cb 0.54 -1.52 -0.15 0.00 -0.71 0.00 0.00 33.22 31.38 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 1.19 0.00 2.03 1.35 -1.95 -1.87 112.91 113.66 1wyn h THR 106 Ca 0.00 -2.74 -0.06 0.00 -0.55 0.00 0.00 66.41 63.06 1wyn h THR 106 Cb 0.63 2.87 -0.01 0.00 -1.73 0.00 0.00 68.15 69.91 1wyn h THR 106 CO 0.00 0.84 -0.30 -0.61 -0.25 0.00 0.00 175.52 175.19 1wyn h GLN 107 N 0.10 0.00 0.03 4.72 5.75 -1.92 -2.04 115.11 121.75 1wyn h GLN 107 Ca -0.26 0.00 -0.31 0.00 -0.15 0.00 0.00 58.65 57.93 1wyn h GLN 107 Cb 2.08 0.00 -0.04 0.00 1.07 0.00 0.00 27.48 30.58 1wyn h GLN 107 CO 0.21 0.30 -1.80 0.28 -2.65 0.00 0.00 178.83 175.17 1wyn n VAL 108 N -3.65 1.65 0.02 2.39 0.31 -1.24 -3.49 118.33 114.32 1wyn n VAL 108 Ca -0.01 -0.76 -0.13 0.00 -0.01 0.00 0.00 64.34 63.43 1wyn n VAL 108 Cb 0.42 -1.21 -0.09 0.00 -0.91 0.00 0.00 33.84 32.05 1wyn n VAL 108 CO 0.00 0.00 0.00 -0.61 -1.32 0.00 0.00 176.83 174.90 1wyn h GLN 109 N 0.02 -0.07 -0.72 5.55 4.15 -1.23 -3.15 115.11 119.66 1wyn h GLN 109 Ca -0.33 0.00 -0.00 0.00 0.77 0.00 0.00 58.65 59.09 1wyn h GLN 109 Cb 2.02 0.02 -0.04 0.00 0.21 0.00 0.00 27.48 29.69 1wyn h GLN 109 CO 0.08 0.31 0.43 -0.39 -1.93 0.00 0.00 178.83 177.33 1wyn h VAL 110 N -0.46 1.20 -0.87 2.39 -1.51 -1.56 -2.38 116.25 113.07 1wyn h VAL 110 Ca -0.01 -0.45 0.16 0.00 -1.23 0.00 0.00 66.70 65.17 1wyn h VAL 110 Cb 0.41 0.19 -0.10 0.00 -2.13 0.00 0.00 31.29 29.66 1wyn h VAL 110 CO 0.01 0.21 0.44 -1.28 -1.23 0.00 0.00 177.57 175.73 1wyn h SER 111 N 1.00 0.52 -0.10 4.19 0.87 -1.58 0.12 113.55 118.56 1wyn h SER 111 Ca 0.26 0.10 -0.09 0.00 -1.23 0.00 0.00 61.79 60.83 1wyn h SER 111 Cb -0.03 0.02 0.00 0.00 -0.44 0.00 0.00 62.40 61.95 1wyn h SER 111 CO -0.05 0.19 -0.28 -0.07 -0.53 0.00 0.00 176.83 176.09 1wyn h LEU 112 N 0.60 0.42 -2.08 2.23 3.38 -1.42 0.11 115.31 118.54 1wyn h LEU 112 Ca 0.49 -0.60 0.04 0.00 0.09 0.00 0.00 57.88 57.90 1wyn h LEU 112 Cb 0.73 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 41.35 1wyn h LEU 112 CO -0.39 0.94 0.11 -0.07 0.09 0.00 0.00 178.44 179.13 1wyn h LEU 113 N -0.08 0.00 0.16 1.67 3.38 -0.93 0.10 115.31 119.61 1wyn h LEU 113 Ca -0.01 0.00 -0.35 0.00 0.09 0.00 0.00 57.88 57.61 1wyn h LEU 113 Cb 0.90 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.65 1wyn h LEU 113 CO 0.06 0.00 -1.81 0.00 0.09 0.00 0.00 178.44 176.78 1wyn h ALA 114 N 1.91 0.25 -0.42 1.53 0.00 -0.74 -3.27 119.26 118.52 1wyn h ALA 114 Ca 0.07 -1.23 -0.06 0.00 0.00 0.00 0.00 54.91 53.69 1wyn h ALA 114 Cb 0.30 0.55 -0.02 0.00 0.00 0.00 0.00 17.79 18.62 1wyn h ALA 114 CO -0.00 1.11 0.00 1.25 0.00 0.00 0.00 179.25 181.61 1wyn h LEU 115 N 0.05 0.64 0.09 0.00 5.85 -0.39 -3.07 115.31 118.48 1wyn h LEU 115 Ca -0.37 -0.14 -0.00 0.00 0.84 0.00 0.00 57.88 58.20 1wyn h LEU 115 Cb 2.04 -0.17 0.00 0.00 0.37 0.00 0.00 40.66 42.91 1wyn h LEU 115 CO 0.13 0.71 -0.04 0.00 -0.34 0.00 0.00 178.44 178.91 1wyn h ALA 116 N 1.36 -0.11 -0.18 1.25 0.00 -0.96 -1.39 119.26 119.23 1wyn h ALA 116 Ca 0.13 -0.12 0.05 0.00 0.00 0.00 0.00 54.91 54.97 1wyn h ALA 116 Cb 0.40 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.23 1wyn h ALA 116 CO 0.01 -0.45 0.82 0.78 0.00 0.00 0.00 179.25 180.41 1wyn h GLY 117 N -0.33 0.00 0.00 0.00 0.00 -1.58 0.43 103.07 101.59 1wyn h GLY 117 Ca -0.01 0.00 -0.36 0.00 0.00 0.00 0.00 47.33 46.96 1wyn h GLY 117 CO 0.02 0.00 -2.38 1.17 0.00 0.00 0.00 176.54 175.35 1wyn n LYS 118 N -2.80 0.65 0.26 4.80 4.81 -1.01 -4.37 118.16 120.51 1wyn n LYS 118 Ca 0.03 0.12 0.12 0.00 -0.87 0.00 0.00 58.31 57.71 1wyn n LYS 118 Cb 0.89 -1.49 0.72 0.00 0.02 0.00 0.00 35.03 35.18 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 0.13 1.42 -0.15 3.14 0.00 0.87 -2.12 119.26 122.54 1wyn h ALA 119 Ca -0.54 -0.10 0.04 0.00 0.00 0.00 0.00 54.91 54.32 1wyn h ALA 119 Cb 1.89 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 19.65 1wyn h ALA 119 CO -0.07 0.13 0.25 1.57 0.00 0.00 0.00 179.25 181.14 1wyn h LYS 120 N 0.00 0.00 -0.67 0.00 2.10 -1.12 -1.11 116.57 115.78 1wyn h LYS 120 Ca -0.00 0.00 0.19 0.00 -2.00 0.00 0.00 60.65 58.84 1wyn h LYS 120 Cb 0.26 0.00 -0.03 0.00 -0.90 0.00 0.00 32.23 31.56 1wyn h LYS 120 CO 0.01 0.00 0.58 0.00 -2.00 0.00 0.00 179.45 178.04 1wyn h THR 121 N 0.00 0.44 0.17 0.07 1.03 -1.65 1.00 112.91 113.98 1wyn h THR 121 Ca 0.07 0.00 -0.01 0.00 -0.01 0.00 0.00 66.41 66.46 1wyn h THR 121 Cb 0.58 0.57 0.00 0.00 -1.07 0.00 0.00 68.15 68.23 1wyn h THR 121 CO -0.00 0.00 -0.08 0.11 -0.01 0.00 0.00 175.52 175.54 1wyn h LYS 122 N 0.00 -0.22 -1.79 0.00 6.56 -1.44 -3.39 116.57 116.29 1wyn h LYS 122 Ca 0.32 0.02 -0.51 0.00 -1.06 0.00 0.00 60.65 59.42 1wyn h LYS 122 Cb 1.47 0.05 -0.41 0.00 -0.57 0.00 0.00 32.23 32.77 1wyn h LYS 122 CO -0.00 0.20 -0.95 0.41 -2.06 0.00 0.00 179.45 177.04 1wyn n GLY 123 N 0.37 4.18 3.79 3.86 0.00 -0.46 -5.10 105.19 111.84 1wyn n GLY 123 Ca -0.08 -2.12 -0.30 0.00 0.00 0.00 0.00 46.02 43.52 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 -3.07 1.90 -0.20 0.99 0.05 0.33 -4.97 118.68 113.71 1wyn s LEU 124 Ca 0.41 0.49 0.10 0.00 0.05 0.00 0.00 54.13 55.18 1wyn s LEU 124 Cb 0.36 -2.46 -0.19 0.00 -2.05 0.00 0.00 46.19 41.85 1wyn s LEU 124 CO -0.09 -3.20 -0.05 0.00 -0.55 0.00 0.00 176.35 172.46 1wyn n GLN 125 N -4.12 0.87 -3.78 1.48 0.00 -1.26 -5.07 117.38 105.50 1wyn n GLN 125 Ca 0.13 0.05 -0.04 0.00 0.00 0.00 0.00 57.00 57.14 1wyn n GLN 125 Cb 0.59 -1.46 -0.01 0.00 0.00 0.00 0.00 30.24 29.36 1wyn n GLN 125 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.06 175.94 1wyn s SER 126 N -5.63 -0.19 0.00 2.61 0.01 -1.26 -5.08 113.70 104.16 1wyn s SER 126 Ca -0.18 -0.46 0.00 0.00 1.31 0.00 0.00 55.95 56.62 1wyn s SER 126 Cb 0.06 0.54 0.00 0.00 0.21 0.00 0.00 66.02 66.84 1wyn s SER 126 CO 0.64 -1.00 0.00 0.61 0.41 0.00 0.00 173.24 173.90 1wyn n GLY 127 N -0.47 -0.66 3.37 3.44 0.00 -1.26 -5.10 105.19 104.50 1wyn n GLY 127 Ca -0.06 0.32 -0.52 0.00 0.00 0.00 0.00 46.02 45.76 1wyn n GLY 127 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1wyn n VAL 128 N 0.00 0.06 -5.08 1.61 0.31 -1.26 -4.91 118.33 109.06 1wyn n VAL 128 Ca 0.00 -0.13 -0.32 0.00 -0.01 0.00 0.00 64.34 63.88 1wyn n VAL 128 Cb 0.00 -0.99 -0.16 0.00 -0.91 0.00 0.00 33.84 31.78 1wyn n VAL 128 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 1wyn s ASP 129 N 7.26 3.41 0.02 4.52 -1.08 -1.26 -5.03 116.67 124.52 1wyn s ASP 129 Ca 1.18 -0.46 -0.19 0.00 -0.52 0.00 0.00 52.55 52.56 1wyn s ASP 129 Cb -1.18 -1.33 -0.20 0.00 -1.46 0.00 0.00 42.92 38.75 1wyn s ASP 129 CO 0.56 0.19 1.18 0.40 0.52 0.00 0.00 175.17 178.01 1wyn h ILE 130 N 5.42 1.40 -0.73 4.11 1.08 -1.97 -3.30 117.51 123.51 1wyn h ILE 130 Ca -0.25 -1.90 0.21 0.00 -0.39 0.00 0.00 64.86 62.53 1wyn h ILE 130 Cb 1.22 2.36 -0.14 0.00 -3.07 0.00 0.00 36.82 37.19 1wyn h ILE 130 CO 0.50 0.56 0.03 0.61 -0.69 0.00 0.00 178.15 179.16 1wyn n GLY 131 N 0.83 -0.98 3.28 5.37 0.00 -1.26 -2.12 105.19 110.31 1wyn n GLY 131 Ca -0.09 0.71 -0.43 0.00 0.00 0.00 0.00 46.02 46.21 1wyn n GLY 131 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1wyn s VAL 132 N -5.62 5.48 -0.30 1.61 -7.23 -1.24 -4.95 120.40 108.15 1wyn s VAL 132 Ca -0.09 -3.27 -0.16 0.00 -1.81 0.00 0.00 61.98 56.65 1wyn s VAL 132 Cb 0.22 -4.34 0.17 0.00 0.56 0.00 0.00 36.38 32.98 1wyn s VAL 132 CO 0.57 -1.12 1.04 -0.75 -0.31 0.00 0.00 175.10 174.54 1wyn s LYS 133 N -0.90 0.27 0.03 4.82 2.20 -0.90 -4.89 119.74 120.38 1wyn s LYS 133 Ca 0.26 0.57 -0.02 0.00 -0.36 0.00 0.00 55.97 56.42 1wyn s LYS 133 Cb -0.10 0.21 -0.02 0.00 -1.51 0.00 0.00 37.83 36.41 1wyn s LYS 133 CO -0.09 -0.07 0.01 -0.47 -0.36 0.00 0.00 175.35 174.37 1wyn s TYR 134 N 1.82 0.32 0.29 4.03 5.04 -1.26 -5.07 117.35 122.52 1wyn s TYR 134 Ca -0.05 -0.68 -0.30 0.00 -2.44 0.00 0.00 57.07 53.60 1wyn s TYR 134 Cb -0.04 -0.23 -0.11 0.00 0.35 0.00 0.00 41.96 41.92 1wyn s TYR 134 CO -0.15 -0.31 1.61 0.45 -1.34 0.00 0.00 175.55 175.80 1wyn s SER 135 N -2.13 6.35 0.09 4.32 0.15 -1.26 -5.00 113.70 116.23 1wyn s SER 135 Ca -0.05 2.97 -0.21 0.00 0.70 0.00 0.00 55.95 59.36 1wyn s SER 135 Cb -0.02 -2.64 0.05 0.00 -1.71 0.00 0.00 66.02 61.71 1wyn s SER 135 CO -0.05 -0.93 0.51 -1.61 1.20 0.00 0.00 173.24 172.36 1wyn s GLU 136 N -0.50 1.10 0.17 5.44 0.41 -1.26 -5.18 118.70 118.88 1wyn s GLU 136 Ca 0.64 -0.42 -0.07 0.00 -0.41 0.00 0.00 54.97 54.71 1wyn s GLU 136 Cb -0.48 0.50 -0.02 0.00 -1.78 0.00 0.00 34.13 32.35 1wyn s GLU 136 CO 0.48 -0.43 0.24 0.15 -0.49 0.00 0.00 175.26 175.21 1wyn s LYS 137 N -3.13 1.16 -0.29 1.61 -0.14 -1.26 -5.17 119.74 112.52 1wyn s LYS 137 Ca -0.02 -1.30 -0.22 0.00 -1.36 0.00 0.00 55.97 53.07 1wyn s LYS 137 Cb -0.00 0.34 0.17 0.00 -1.68 0.00 0.00 37.83 36.67 1wyn s LYS 137 CO -0.07 -0.41 1.27 1.14 -0.76 0.00 0.00 175.35 176.51 1wyn s GLN 138 N -4.02 0.20 -0.12 1.68 -2.07 -1.26 -5.06 119.66 109.01 1wyn s GLN 138 Ca 0.22 0.26 0.20 0.00 -1.82 0.00 0.00 55.36 54.23 1wyn s GLN 138 Cb 0.04 0.08 0.45 0.00 -1.09 0.00 0.00 33.01 32.49 1wyn s GLN 138 CO 0.03 -0.03 1.17 -0.85 -1.32 0.00 0.00 175.29 174.30 1wyn n GLU 139 N 2.23 0.99 -0.00 9.60 0.28 -1.26 -4.85 120.64 127.63 1wyn n GLU 139 Ca -0.13 -2.77 -0.17 0.00 -0.16 0.00 0.00 57.16 53.93 1wyn n GLU 139 Cb 0.57 -0.86 -0.14 0.00 1.43 0.00 0.00 31.44 32.44 1wyn n GLU 139 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 1wyn h ARG 140 N 1.40 0.19 -6.01 3.44 2.47 -2.08 -3.42 114.38 110.37 1wyn h ARG 140 Ca -0.11 -0.30 -0.50 0.00 -1.26 0.00 0.00 59.98 57.81 1wyn h ARG 140 Cb 1.55 0.11 -0.04 0.00 -1.65 0.00 0.00 29.97 29.93 1wyn h ARG 140 CO 0.15 1.12 1.29 -1.12 0.56 0.00 0.00 179.97 181.97 1wyn s SER 141 N -6.64 5.38 0.00 7.04 0.01 -1.26 -4.83 113.70 113.41 1wyn s SER 141 Ca -0.16 0.18 0.00 0.00 1.31 0.00 0.00 55.95 57.29 1wyn s SER 141 Cb -0.00 -2.53 0.00 0.00 0.21 0.00 0.00 66.02 63.69 1wyn s SER 141 CO 0.77 -2.32 0.00 0.61 0.41 0.00 0.00 173.24 172.71 1wyn n GLY 142 N 5.72 1.16 3.56 3.44 0.00 -1.26 -4.99 105.19 112.82 1wyn n GLY 142 Ca 0.19 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.89 1wyn n GLY 142 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1wyn s PRO 143 N 1.78 2.59 -0.00 1.61 0.04 -1.26 -4.92 135.00 134.84 1wyn s PRO 143 Ca 0.00 0.12 -0.14 0.00 0.04 0.00 0.00 61.00 61.02 1wyn s PRO 143 Cb 0.00 -4.75 0.02 0.00 0.04 0.00 0.00 34.50 29.81 1wyn s PRO 143 CO 0.00 -3.08 0.30 -1.12 0.04 0.00 0.00 177.00 173.14 1wyn s SER 144 N 8.07 -0.17 -0.03 6.66 0.01 -1.26 -5.17 113.70 121.82 1wyn s SER 144 Ca 0.69 0.02 0.07 0.00 1.31 0.00 0.00 55.95 58.03 1wyn s SER 144 Cb -0.09 0.32 -0.02 0.00 0.21 0.00 0.00 66.02 66.44 1wyn s SER 144 CO 0.09 -0.48 -0.23 -0.44 0.41 0.00 0.00 173.24 172.59 1wyn s SER 145 N -1.49 2.73 0.00 2.44 0.01 -1.26 -5.25 113.70 110.88 1wyn s SER 145 Ca -0.12 -0.43 0.00 0.00 1.31 0.00 0.00 55.95 56.71 1wyn s SER 145 Cb -0.04 -0.40 0.00 0.00 0.21 0.00 0.00 66.02 65.78 1wyn s SER 145 CO 0.03 0.27 0.00 0.61 0.41 0.00 0.00 173.24 174.56