#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wyn n SER 2 N 0.00 -2.11 -4.47 1.61 7.64 -1.26 -4.83 113.62 110.20 1wyn n SER 2 Ca 0.00 0.32 -0.42 0.00 1.01 0.00 0.00 58.87 59.77 1wyn n SER 2 Cb 0.00 -1.20 0.00 0.00 -1.01 0.00 0.00 64.21 62.00 1wyn n SER 2 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 1wyn n SER 3 N -1.32 -0.66 0.14 6.43 2.88 -1.26 -4.80 113.62 115.03 1wyn n SER 3 Ca 0.06 0.95 0.00 0.00 -1.33 0.00 0.00 58.87 58.56 1wyn n SER 3 Cb 0.54 -1.12 0.00 0.00 -0.75 0.00 0.00 64.21 62.87 1wyn n SER 3 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1wyn n GLY 4 N 1.73 -1.57 3.58 0.46 0.00 -1.26 -5.04 105.19 103.09 1wyn n GLY 4 Ca 0.12 0.44 -0.29 0.00 0.00 0.00 0.00 46.02 46.28 1wyn n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1wyn s SER 5 N -2.00 5.20 0.27 1.61 0.01 -1.26 -4.92 113.70 112.61 1wyn s SER 5 Ca 0.00 -1.58 -0.26 0.00 1.31 0.00 0.00 55.95 55.42 1wyn s SER 5 Cb 0.00 -2.58 -0.16 0.00 0.21 0.00 0.00 66.02 63.48 1wyn s SER 5 CO 0.00 -2.87 0.44 -1.54 0.41 0.00 0.00 173.24 169.68 1wyn n SER 6 N 13.80 -1.50 0.27 2.44 3.41 -1.26 -4.90 113.62 125.88 1wyn n SER 6 Ca 0.44 1.04 -0.10 0.00 -0.26 0.00 0.00 58.87 59.98 1wyn n SER 6 Cb 0.47 -0.96 -0.05 0.00 -0.26 0.00 0.00 64.21 63.40 1wyn n SER 6 CO 0.00 0.00 0.00 1.23 -0.16 0.00 0.00 175.04 176.11 1wyn h GLY 7 N 0.87 -0.71 -4.22 5.00 0.00 -2.06 -3.43 103.07 98.52 1wyn h GLY 7 Ca -0.32 0.26 -0.58 0.00 0.00 0.00 0.00 47.33 46.70 1wyn h GLY 7 CO 0.54 -0.26 0.37 0.70 0.00 0.00 0.00 176.54 177.89 1wyn n ASN 8 N -3.97 2.21 -4.23 0.19 3.02 -1.26 -5.00 115.26 106.21 1wyn n ASN 8 Ca -0.08 1.18 -0.28 0.00 -0.03 0.00 0.00 54.58 55.37 1wyn n ASN 8 Cb 0.27 -1.42 -0.16 0.00 -0.61 0.00 0.00 39.78 37.86 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 -1.81 1.76 0.01 3.52 1.81 -1.26 -5.14 118.95 117.85 1wyn s ARG 9 Ca 0.57 -0.77 0.02 0.00 -1.72 0.00 0.00 55.73 53.83 1wyn s ARG 9 Cb -0.61 -1.69 -0.04 0.00 -0.45 0.00 0.00 34.95 32.17 1wyn s ARG 9 CO 0.61 0.46 0.02 -0.51 -0.68 0.00 0.00 175.30 175.19 1wyn s LEU 10 N -0.49 3.58 0.00 2.53 1.43 -1.26 -5.00 118.68 119.48 1wyn s LEU 10 Ca 0.08 -0.00 0.00 0.00 -1.03 0.00 0.00 54.13 53.18 1wyn s LEU 10 Cb -0.08 -2.10 0.00 0.00 0.03 0.00 0.00 46.19 44.04 1wyn s LEU 10 CO -0.01 0.26 0.62 0.18 0.23 0.00 0.00 176.35 177.63 1wyn n LEU 11 N 1.22 1.24 -2.11 1.79 4.32 -1.26 -4.75 117.00 117.45 1wyn n LEU 11 Ca -0.14 -1.21 -0.17 0.00 -0.02 0.00 0.00 56.01 54.47 1wyn n LEU 11 Cb 0.53 -0.00 -0.07 0.00 -1.62 0.00 0.00 43.42 42.25 1wyn n LEU 11 CO 0.36 0.31 1.46 -1.20 -1.22 0.00 0.00 177.39 177.10 1wyn n SER 12 N -0.09 5.94 -3.71 -1.43 7.64 -1.26 -4.80 113.62 115.91 1wyn n SER 12 Ca 0.00 -2.85 -0.22 0.00 1.01 0.00 0.00 58.87 56.81 1wyn n SER 12 Cb 0.06 -1.25 -0.04 0.00 -1.01 0.00 0.00 64.21 61.97 1wyn n SER 12 CO 0.00 0.00 0.00 2.29 -3.01 0.00 0.00 175.04 174.32 1wyn n LYS 13 N 1.39 -0.82 -3.42 1.43 0.00 -1.26 -4.79 118.16 110.69 1wyn n LYS 13 Ca 0.38 -0.03 -0.38 0.00 -0.00 0.00 0.00 58.31 58.28 1wyn n LYS 13 Cb 0.67 -1.78 -0.06 0.00 -0.00 0.00 0.00 35.03 33.86 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 -3.93 3.64 -0.08 5.58 6.14 -1.26 -4.87 117.35 122.57 1wyn s TYR 14 Ca 0.10 0.96 -0.06 0.00 0.64 0.00 0.00 57.07 58.71 1wyn s TYR 14 Cb -0.06 -2.41 0.03 0.00 0.42 0.00 0.00 41.96 39.95 1wyn s TYR 14 CO 0.59 0.44 0.21 0.34 0.64 0.00 0.00 175.55 177.77 1wyn s ASP 15 N -0.38 -0.21 0.10 4.32 -1.08 -1.26 -5.02 116.67 113.13 1wyn s ASP 15 Ca 0.25 0.42 0.18 0.00 -0.52 0.00 0.00 52.55 52.88 1wyn s ASP 15 Cb -0.16 0.37 0.75 0.00 -1.46 0.00 0.00 42.92 42.42 1wyn s ASP 15 CO 0.12 -0.11 1.55 -0.81 0.52 0.00 0.00 175.17 176.44 1wyn n PRO 16 N 3.54 0.07 -0.08 4.34 -0.04 -1.26 -2.81 135.00 138.77 1wyn n PRO 16 Ca -0.19 0.32 -0.23 0.00 -0.04 0.00 0.00 63.50 63.37 1wyn n PRO 16 Cb 0.56 -1.64 -0.12 0.00 -0.04 0.00 0.00 33.50 32.26 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 -1.78 0.64 -0.31 0.54 6.02 -1.26 -4.34 117.38 116.90 1wyn n GLN 17 Ca 0.03 0.37 -0.01 0.00 -0.01 0.00 0.00 57.00 57.38 1wyn n GLN 17 Cb 0.19 -1.66 0.12 0.00 1.02 0.00 0.00 30.24 29.90 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 -0.54 0.99 -1.07 -1.09 1.79 -1.96 -1.85 116.57 112.84 1wyn h LYS 18 Ca -0.46 -0.06 0.30 0.00 -2.18 0.00 0.00 60.65 58.25 1wyn h LYS 18 Cb 1.67 -0.22 -0.12 0.00 -1.58 0.00 0.00 32.23 31.97 1wyn h LYS 18 CO -0.14 0.65 0.66 1.49 -1.08 0.00 0.00 179.45 181.04 1wyn h GLU 19 N 1.02 0.36 -0.34 3.15 4.22 -1.71 0.30 114.58 121.58 1wyn h GLU 19 Ca 0.35 -0.02 -0.10 0.00 0.08 0.00 0.00 59.36 59.67 1wyn h GLU 19 Cb 0.07 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.23 1wyn h GLU 19 CO -0.14 0.24 -0.18 0.00 -2.18 0.00 0.00 179.01 176.75 1wyn h ALA 20 N 1.69 0.48 -1.00 2.92 0.00 -1.53 -2.98 119.26 118.83 1wyn h ALA 20 Ca 0.67 -0.35 0.13 0.00 0.00 0.00 0.00 54.91 55.36 1wyn h ALA 20 Cb 1.65 -0.11 -0.09 0.00 0.00 0.00 0.00 17.79 19.24 1wyn h ALA 20 CO -0.43 0.41 0.63 0.93 0.00 0.00 0.00 179.25 180.79 1wyn h GLU 21 N 0.49 0.94 0.30 0.00 5.08 -0.38 -0.42 114.58 120.59 1wyn h GLU 21 Ca 0.07 -0.06 -0.01 0.00 -1.00 0.00 0.00 59.36 58.36 1wyn h GLU 21 Cb 0.73 -0.21 0.00 0.00 0.50 0.00 0.00 28.75 29.77 1wyn h GLU 21 CO 0.05 0.62 -0.14 -0.07 -1.00 0.00 0.00 179.01 178.47 1wyn h LEU 22 N 0.96 -0.34 -1.18 1.33 3.38 -1.35 -1.38 115.31 116.73 1wyn h LEU 22 Ca 0.51 0.01 0.30 0.00 0.09 0.00 0.00 57.88 58.79 1wyn h LEU 22 Cb 0.55 0.09 -0.12 0.00 0.09 0.00 0.00 40.66 41.26 1wyn h LEU 22 CO -0.28 -0.21 0.65 0.08 0.09 0.00 0.00 178.44 178.77 1wyn h ARG 23 N -0.48 0.36 0.00 1.13 0.11 -1.37 1.20 114.38 115.33 1wyn h ARG 23 Ca -0.04 -0.02 -0.08 0.00 0.10 0.00 0.00 59.98 59.94 1wyn h ARG 23 Cb 0.31 -0.08 -0.01 0.00 1.11 0.00 0.00 29.97 31.30 1wyn h ARG 23 CO 0.07 0.24 -0.37 1.15 0.10 0.00 0.00 179.97 181.15 1wyn h THR 24 N 0.37 1.08 0.04 0.08 2.02 -1.00 0.32 112.91 115.81 1wyn h THR 24 Ca 0.68 -1.37 -0.29 0.00 0.77 0.00 0.00 66.41 66.21 1wyn h THR 24 Cb 1.65 1.78 -0.03 0.00 -1.74 0.00 0.00 68.15 69.80 1wyn h THR 24 CO -0.45 0.37 -1.55 -0.25 0.37 0.00 0.00 175.52 174.01 1wyn h TRP 25 N 0.00 0.15 0.09 3.16 7.01 0.24 -3.33 115.95 123.27 1wyn h TRP 25 Ca -0.00 -0.11 -0.14 0.00 2.11 0.00 0.00 58.89 60.74 1wyn h TRP 25 Cb 0.75 -0.01 0.01 0.00 -2.10 0.00 0.00 29.16 27.81 1wyn h TRP 25 CO 0.00 1.17 -0.64 0.82 -2.79 0.00 0.00 178.44 176.99 1wyn h ILE 26 N 0.02 1.54 -1.04 2.65 2.04 -0.16 -2.93 117.51 119.63 1wyn h ILE 26 Ca -0.23 -2.46 0.27 0.00 1.00 0.00 0.00 64.86 63.43 1wyn h ILE 26 Cb 1.97 3.19 -0.09 0.00 -0.74 0.00 0.00 36.82 41.15 1wyn h ILE 26 CO 0.11 0.67 0.68 -0.33 0.00 0.00 0.00 178.15 179.28 1wyn h GLU 27 N -0.57 0.34 0.04 2.37 5.08 -0.54 0.19 114.58 121.49 1wyn h GLU 27 Ca -0.12 -0.02 -0.25 0.00 -1.00 0.00 0.00 59.36 57.97 1wyn h GLU 27 Cb 1.45 -0.08 -0.02 0.00 0.50 0.00 0.00 28.75 30.60 1wyn h GLU 27 CO 0.09 0.22 -1.27 0.78 -1.00 0.00 0.00 179.01 177.83 1wyn h GLY 28 N 0.35 0.10 0.70 -3.84 0.00 -1.67 0.35 103.07 99.06 1wyn h GLY 28 Ca 0.58 -0.25 -0.03 0.00 0.00 0.00 0.00 47.33 47.62 1wyn h GLY 28 CO -0.25 0.22 -0.34 1.41 0.00 0.00 0.00 176.54 177.58 1wyn h LEU 29 N 0.02 -0.80 0.00 3.11 3.38 -0.49 -3.31 115.31 117.22 1wyn h LEU 29 Ca -0.12 0.03 -0.22 0.00 0.09 0.00 0.00 57.88 57.66 1wyn h LEU 29 Cb 1.89 0.21 -0.03 0.00 0.09 0.00 0.00 40.66 42.81 1wyn h LEU 29 CO 0.14 -0.42 -1.09 0.71 0.09 0.00 0.00 178.44 177.86 1wyn h THR 30 N -1.24 1.54 0.00 0.22 1.35 -1.34 -3.48 112.91 109.96 1wyn h THR 30 Ca -0.10 -3.26 0.00 0.00 -0.55 0.00 0.00 66.41 62.50 1wyn h THR 30 Cb 0.72 2.76 0.00 0.00 -1.73 0.00 0.00 68.15 69.90 1wyn h THR 30 CO 0.16 0.88 0.00 0.61 -0.25 0.00 0.00 175.52 176.92 1wyn n GLY 31 N 1.38 0.53 3.26 5.82 0.00 0.11 -5.05 105.19 111.24 1wyn n GLY 31 Ca -0.03 -0.35 -0.17 0.00 0.00 0.00 0.00 46.02 45.47 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 -4.26 0.99 4.77 -1.21 -4.98 117.00 112.31 1wyn n LEU 32 Ca 0.00 -1.98 -0.31 0.00 -0.03 0.00 0.00 56.01 53.70 1wyn n LEU 32 Cb 0.00 -0.42 -0.16 0.00 -2.33 0.00 0.00 43.42 40.51 1wyn n LEU 32 CO 0.00 -0.76 -0.56 -0.55 -1.33 0.00 0.00 177.39 174.19 1wyn s SER 33 N -4.14 2.94 -0.12 -1.43 0.15 -1.26 -4.63 113.70 105.21 1wyn s SER 33 Ca 0.52 -0.48 -0.01 0.00 0.70 0.00 0.00 55.95 56.68 1wyn s SER 33 Cb -0.04 -0.64 -0.25 0.00 -1.71 0.00 0.00 66.02 63.39 1wyn s SER 33 CO 0.34 0.26 0.38 -0.38 1.20 0.00 0.00 173.24 175.04 1wyn n ILE 34 N 2.79 1.72 0.00 6.45 5.41 -1.26 -4.99 119.36 129.48 1wyn n ILE 34 Ca -0.17 -0.69 0.00 0.00 1.00 0.00 0.00 62.75 62.90 1wyn n ILE 34 Cb 0.52 -1.53 0.00 0.00 -0.71 0.00 0.00 39.64 37.92 1wyn n ILE 34 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1wyn n GLY 35 N 1.92 -1.79 0.00 7.39 0.00 -1.26 -3.85 105.19 107.59 1wyn n GLY 35 Ca -0.30 -2.16 0.07 0.00 0.00 0.00 0.00 46.02 43.63 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 -0.13 0.00 -4.35 1.61 -0.04 -1.26 -4.70 135.00 126.13 1wyn n PRO 36 Ca 0.00 0.26 -0.22 0.00 -0.04 0.00 0.00 63.50 63.49 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 -3.01 2.17 -0.08 3.54 -1.08 -1.26 -5.08 116.67 111.87 1wyn s ASP 37 Ca 0.07 -0.60 -0.06 0.00 -0.52 0.00 0.00 52.55 51.45 1wyn s ASP 37 Cb 0.09 -0.13 -0.02 0.00 -1.46 0.00 0.00 42.92 41.41 1wyn s ASP 37 CO 0.26 0.04 -0.11 0.33 0.52 0.00 0.00 175.17 176.22 1wyn n PHE 38 N 1.43 0.43 -0.31 -5.34 7.35 -1.26 -3.03 117.46 116.73 1wyn n PHE 38 Ca -0.19 0.19 0.13 0.00 -0.76 0.00 0.00 57.45 56.81 1wyn n PHE 38 Cb 0.54 -0.49 0.27 0.00 0.35 0.00 0.00 39.48 40.14 1wyn n PHE 38 CO 0.00 0.00 0.00 0.37 -0.76 0.00 0.00 176.76 176.37 1wyn h GLN 39 N -0.54 0.07 0.00 -4.13 -0.00 -1.97 0.06 115.11 108.59 1wyn h GLN 39 Ca 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.65 1wyn h GLN 39 Cb 0.32 -0.02 0.00 0.00 0.00 0.00 0.00 27.48 27.78 1wyn h GLN 39 CO 0.00 0.04 0.00 1.63 0.00 0.00 0.00 178.83 180.50 1wyn n LYS 40 N -5.40 0.00 -0.39 1.69 5.02 -1.26 0.13 118.16 117.94 1wyn n LYS 40 Ca 0.21 0.47 0.32 0.00 -2.02 0.00 0.00 58.31 57.29 1wyn n LYS 40 Cb 0.70 -1.20 0.53 0.00 -0.02 0.00 0.00 35.03 35.03 1wyn n LYS 40 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1wyn n GLY 41 N 0.66 -0.65 0.10 0.72 0.00 -1.03 0.24 105.19 105.23 1wyn n GLY 41 Ca 0.00 0.55 -0.11 0.00 0.00 0.00 0.00 46.02 46.46 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 -3.99 0.84 -0.18 0.99 4.77 -0.02 -4.52 117.00 114.88 1wyn n LEU 42 Ca 0.31 0.16 -0.05 0.00 -0.03 0.00 0.00 56.01 56.40 1wyn n LEU 42 Cb 1.24 0.10 -0.04 0.00 -2.33 0.00 0.00 43.42 42.39 1wyn n LEU 42 CO 0.18 0.53 0.39 1.17 -1.33 0.00 0.00 177.39 178.33 1wyn n LYS 43 N -2.97 -0.19 -0.39 3.23 4.81 0.65 0.18 118.16 123.48 1wyn n LYS 43 Ca -0.28 1.01 0.34 0.00 -0.87 0.00 0.00 58.31 58.51 1wyn n LYS 43 Cb 1.09 -1.50 0.61 0.00 0.02 0.00 0.00 35.03 35.25 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 0.30 -0.58 3.14 3.04 -1.78 -3.44 116.42 117.11 1wyn h ASP 44 Ca 0.07 0.20 0.00 0.00 -3.24 0.00 0.00 57.03 54.05 1wyn h ASP 44 Cb 0.18 0.19 0.00 0.00 -1.04 0.00 0.00 39.33 38.66 1wyn h ASP 44 CO -0.40 -0.29 0.00 0.61 -2.04 0.00 0.00 179.24 177.12 1wyn n GLY 45 N -1.39 0.91 0.09 7.15 0.00 0.49 -4.28 105.19 108.16 1wyn n GLY 45 Ca 0.37 -0.56 -0.16 0.00 0.00 0.00 0.00 46.02 45.67 1wyn n GLY 45 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 1wyn h THR 46 N 0.00 0.67 0.03 2.61 1.35 -1.83 -3.38 112.91 112.36 1wyn h THR 46 Ca 0.00 -1.83 -0.00 0.00 -0.55 0.00 0.00 66.41 64.03 1wyn h THR 46 Cb 0.77 1.59 0.00 0.00 -1.73 0.00 0.00 68.15 68.78 1wyn h THR 46 CO 0.00 0.23 -0.01 0.40 -0.25 0.00 0.00 175.52 175.88 1wyn h ILE 47 N -1.00 1.40 -1.84 6.82 2.04 -1.89 -3.21 117.51 119.84 1wyn h ILE 47 Ca -0.23 -1.68 0.55 0.00 1.00 0.00 0.00 64.86 64.49 1wyn h ILE 47 Cb 1.04 2.47 -0.09 0.00 -0.74 0.00 0.00 36.82 39.51 1wyn h ILE 47 CO -0.14 0.41 1.30 0.18 0.00 0.00 0.00 178.15 179.90 1wyn n LEU 48 N -4.75 0.04 0.01 1.44 4.77 -1.26 0.12 117.00 117.36 1wyn n LEU 48 Ca -0.09 1.04 -0.07 0.00 -0.03 0.00 0.00 56.01 56.86 1wyn n LEU 48 Cb 0.34 -0.52 -0.05 0.00 -2.33 0.00 0.00 43.42 40.87 1wyn n LEU 48 CO 0.30 -1.06 0.22 0.00 -1.33 0.00 0.00 177.39 175.52 1wyn h THR 50 N -0.98 0.92 -0.95 0.00 1.35 -0.32 -1.58 112.91 111.35 1wyn h THR 50 Ca -0.01 -0.25 0.26 0.00 -0.55 0.00 0.00 66.41 65.86 1wyn h THR 50 Cb 0.40 0.12 -0.14 0.00 -1.73 0.00 0.00 68.15 66.81 1wyn h THR 50 CO 0.02 0.13 0.46 0.25 -0.25 0.00 0.00 175.52 176.14 1wyn h LEU 51 N 0.74 0.40 -0.04 3.87 5.85 -0.85 0.17 115.31 125.45 1wyn h LEU 51 Ca 0.36 0.17 -0.03 0.00 0.84 0.00 0.00 57.88 59.22 1wyn h LEU 51 Cb 0.30 0.14 0.00 0.00 0.37 0.00 0.00 40.66 41.47 1wyn h LEU 51 CO -0.23 -0.05 -0.08 -0.03 -0.34 0.00 0.00 178.44 177.71 1wyn h MET 52 N 0.38 0.12 -1.03 1.25 4.05 -1.38 -3.18 114.93 115.14 1wyn h MET 52 Ca 0.63 -0.08 0.25 0.00 -0.28 0.00 0.00 59.70 60.23 1wyn h MET 52 Cb 1.31 0.01 -0.11 0.00 -0.80 0.00 0.00 31.60 32.01 1wyn h MET 52 CO -0.57 0.66 0.64 -0.91 0.23 0.00 0.00 176.91 176.95 1wyn h ASN 53 N -0.40 0.56 -0.24 1.39 2.35 -0.66 0.25 115.58 118.83 1wyn h ASN 53 Ca 0.00 0.11 0.01 0.00 -0.55 0.00 0.00 56.30 55.87 1wyn h ASN 53 Cb 0.65 0.02 -0.02 0.00 0.05 0.00 0.00 38.32 39.03 1wyn h ASN 53 CO 0.02 0.10 0.14 0.11 -1.65 0.00 0.00 177.43 176.15 1wyn h LYS 54 N 0.49 0.29 -0.05 0.81 1.79 -1.22 -3.10 116.57 115.57 1wyn h LYS 54 Ca 0.62 -0.02 -0.03 0.00 -2.18 0.00 0.00 60.65 59.04 1wyn h LYS 54 Cb 1.36 -0.06 0.00 0.00 -1.58 0.00 0.00 32.23 31.95 1wyn h LYS 54 CO -0.38 0.19 -0.10 -0.07 -1.08 0.00 0.00 179.45 178.01 1wyn h LEU 55 N 0.30 0.18 -8.42 2.94 3.38 -0.90 -3.43 115.31 109.35 1wyn h LEU 55 Ca 0.09 -0.55 -0.66 0.00 0.09 0.00 0.00 57.88 56.85 1wyn h LEU 55 Cb -0.01 -0.05 -0.29 0.00 0.09 0.00 0.00 40.66 40.40 1wyn h LEU 55 CO -0.04 0.70 -0.78 -1.58 0.09 0.00 0.00 178.44 176.83 1wyn s GLN 56 N -4.01 3.28 0.00 1.13 0.74 0.63 -4.98 119.66 116.45 1wyn s GLN 56 Ca -0.15 -0.71 0.11 0.00 0.05 0.00 0.00 55.36 54.66 1wyn s GLN 56 Cb 0.03 -2.71 0.66 0.00 1.10 0.00 0.00 33.01 32.09 1wyn s GLN 56 CO 0.72 0.01 1.10 -0.35 -0.55 0.00 0.00 175.29 176.21 1wyn n PRO 57 N 4.11 0.49 -2.93 1.67 -0.04 -1.24 -3.48 135.00 133.58 1wyn n PRO 57 Ca -0.19 0.00 -0.13 0.00 -0.04 0.00 0.00 63.50 63.14 1wyn n PRO 57 Cb 0.52 -1.35 0.04 0.00 -0.04 0.00 0.00 33.50 32.66 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 2.02 0.40 0.55 0.00 -1.26 -4.98 105.19 101.91 1wyn n GLY 58 Ca 0.08 -0.81 -0.06 0.00 0.00 0.00 0.00 46.02 45.23 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 0.26 1.66 -4.39 1.61 3.41 -1.23 -5.00 113.62 109.95 1wyn n SER 59 Ca 0.14 0.27 -0.34 0.00 -0.26 0.00 0.00 58.87 58.68 1wyn n SER 59 Cb 0.69 -0.61 -0.14 0.00 -0.26 0.00 0.00 64.21 63.90 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 -2.61 3.38 -0.02 -3.33 1.01 -1.26 -4.73 120.40 112.84 1wyn s VAL 60 Ca -0.20 -0.53 -0.25 0.00 0.00 0.00 0.00 61.98 61.00 1wyn s VAL 60 Cb 0.03 -2.47 -0.19 0.00 0.00 0.00 0.00 36.38 33.74 1wyn s VAL 60 CO 0.29 0.49 1.21 1.55 0.00 0.00 0.00 175.10 178.64 1wyn h PRO 61 N 7.11 -0.08 -2.94 2.72 0.13 -1.96 -3.47 132.00 133.50 1wyn h PRO 61 Ca -0.32 0.01 -0.10 0.00 -0.87 0.00 0.00 66.00 64.72 1wyn h PRO 61 Cb 1.19 0.02 -0.19 0.00 0.13 0.00 0.00 31.00 32.15 1wyn h PRO 61 CO 0.59 0.38 -0.19 0.21 -0.23 0.00 0.00 178.00 178.77 1wyn s LYS 62 N -4.18 0.78 -0.04 0.86 2.47 -1.26 -5.17 119.74 113.20 1wyn s LYS 62 Ca -0.15 -0.21 0.04 0.00 -1.56 0.00 0.00 55.97 54.09 1wyn s LYS 62 Cb 0.02 0.35 -0.03 0.00 -1.46 0.00 0.00 37.83 36.71 1wyn s LYS 62 CO 0.63 -0.23 -0.14 0.42 0.16 0.00 0.00 175.35 176.19 1wyn s ILE 63 N -1.67 3.08 -0.35 5.43 1.01 -1.26 -5.00 121.20 122.44 1wyn s ILE 63 Ca -0.11 -0.76 -0.17 0.00 0.00 0.00 0.00 60.65 59.61 1wyn s ILE 63 Cb -0.03 -2.22 -0.00 0.00 0.01 0.00 0.00 42.46 40.21 1wyn s ILE 63 CO 0.03 0.56 0.47 0.20 0.00 0.00 0.00 174.94 176.20 1wyn s ASN 64 N -0.83 6.28 -0.49 3.58 0.01 -1.26 -4.95 114.94 117.28 1wyn s ASN 64 Ca 0.12 -0.10 0.00 0.00 -0.71 0.00 0.00 52.86 52.17 1wyn s ASN 64 Cb -0.11 -2.25 0.43 0.00 0.41 0.00 0.00 41.25 39.74 1wyn s ASN 64 CO 0.01 -0.45 1.94 0.54 -1.51 0.00 0.00 177.10 177.64 1wyn n ARG 65 N 5.65 2.27 -4.15 -0.60 3.00 -1.26 -4.81 116.66 116.76 1wyn n ARG 65 Ca -0.06 -2.64 -0.24 0.00 -0.01 0.00 0.00 57.85 54.90 1wyn n ARG 65 Cb 0.49 -2.03 -0.06 0.00 0.00 0.00 0.00 32.46 30.86 1wyn n ARG 65 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.63 178.08 1wyn s SER 66 N -1.07 5.24 -0.27 0.55 0.15 -1.26 -5.01 113.70 112.03 1wyn s SER 66 Ca 0.51 -0.29 0.03 0.00 0.70 0.00 0.00 55.95 56.90 1wyn s SER 66 Cb 0.41 -1.27 0.41 0.00 -1.71 0.00 0.00 66.02 63.87 1wyn s SER 66 CO 0.02 0.03 1.54 0.23 1.20 0.00 0.00 173.24 176.27 1wyn n MET 67 N -0.65 1.86 -3.54 5.44 2.81 -1.26 -4.57 117.12 117.20 1wyn n MET 67 Ca -0.08 -1.84 -0.33 0.00 -1.81 0.00 0.00 57.70 53.63 1wyn n MET 67 Cb 0.56 -1.73 -0.05 0.00 -0.71 0.00 0.00 33.22 31.29 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 -2.02 3.76 0.01 0.03 -1.52 -1.26 -5.00 119.66 113.66 1wyn s GLN 68 Ca 0.35 0.16 -0.03 0.00 -1.95 0.00 0.00 55.36 53.89 1wyn s GLN 68 Cb 0.29 -2.88 -0.02 0.00 -0.22 0.00 0.00 33.01 30.18 1wyn s GLN 68 CO 0.07 0.48 1.05 -0.97 -0.25 0.00 0.00 175.29 175.66 1wyn h ASN 69 N 3.25 -0.10 -0.98 5.90 -0.73 -1.99 -0.19 115.58 120.75 1wyn h ASN 69 Ca -0.48 0.00 0.17 0.00 1.87 0.00 0.00 56.30 57.87 1wyn h ASN 69 Cb 1.18 0.03 -0.17 0.00 0.27 0.00 0.00 38.32 39.63 1wyn h ASN 69 CO 0.68 -0.06 -0.32 4.11 -0.37 0.00 0.00 177.43 181.47 1wyn h TRP 70 N -0.10 -0.81 0.50 0.67 0.09 -1.99 0.49 115.95 114.81 1wyn h TRP 70 Ca -0.01 0.10 -0.02 0.00 0.09 0.00 0.00 58.89 59.05 1wyn h TRP 70 Cb 0.08 0.50 -0.02 0.00 0.08 0.00 0.00 29.16 29.80 1wyn h TRP 70 CO 0.16 -0.41 -0.48 0.45 0.09 0.00 0.00 178.44 178.25 1wyn h HIS 71 N -0.01 -1.32 -1.08 0.12 3.86 -1.92 0.14 115.15 114.94 1wyn h HIS 71 Ca 0.40 0.01 0.30 0.00 -1.16 0.00 0.00 60.37 59.92 1wyn h HIS 71 Cb 0.65 0.51 -0.11 0.00 1.06 0.00 0.00 27.41 29.53 1wyn h HIS 71 CO -0.81 -0.64 0.68 1.96 0.86 0.00 0.00 177.93 179.98 1wyn h GLN 72 N -0.97 0.35 0.08 2.45 4.20 0.69 -0.20 115.11 121.70 1wyn h GLN 72 Ca -0.06 -0.02 -0.00 0.00 0.06 0.00 0.00 58.65 58.62 1wyn h GLN 72 Cb 0.84 -0.08 0.00 0.00 0.30 0.00 0.00 27.48 28.54 1wyn h GLN 72 CO -0.05 0.23 -0.04 -0.07 -0.67 0.00 0.00 178.83 178.24 1wyn h LEU 73 N 0.36 -0.09 -1.97 1.46 -0.00 -0.22 -3.09 115.31 111.75 1wyn h LEU 73 Ca 0.65 -0.44 0.33 0.00 -0.00 0.00 0.00 57.88 58.43 1wyn h LEU 73 Cb 1.67 0.02 -0.05 0.00 -0.00 0.00 0.00 40.66 42.30 1wyn h LEU 73 CO -0.37 0.42 0.83 -0.08 -0.00 0.00 0.00 178.44 179.23 1wyn h GLU 74 N -0.63 0.02 0.55 1.13 4.81 0.11 -0.38 114.58 120.18 1wyn h GLU 74 Ca -0.01 -0.00 -0.03 0.00 -0.13 0.00 0.00 59.36 59.19 1wyn h GLU 74 Cb 0.52 -0.00 0.01 0.00 0.63 0.00 0.00 28.75 29.90 1wyn h GLU 74 CO 0.02 0.01 -0.27 -0.91 -0.73 0.00 0.00 179.01 177.13 1wyn h ASN 75 N 0.02 -0.63 0.06 1.04 2.35 -1.31 -1.39 115.58 115.72 1wyn h ASN 75 Ca 0.55 -0.03 -0.00 0.00 -0.55 0.00 0.00 56.30 56.28 1wyn h ASN 75 Cb 2.18 0.16 -0.00 0.00 0.05 0.00 0.00 38.32 40.71 1wyn h ASN 75 CO -0.02 -0.36 -0.04 -0.07 -1.65 0.00 0.00 177.43 175.29 1wyn h LEU 76 N -0.87 -0.10 -0.82 1.61 3.38 -1.15 -0.88 115.31 116.49 1wyn h LEU 76 Ca -0.08 0.01 0.16 0.00 0.09 0.00 0.00 57.88 58.06 1wyn h LEU 76 Cb 0.62 0.03 -0.10 0.00 0.09 0.00 0.00 40.66 41.30 1wyn h LEU 76 CO 0.12 -0.06 0.38 -1.28 0.09 0.00 0.00 178.44 177.69 1wyn h SER 77 N -0.10 0.40 0.02 -0.43 0.87 -1.35 0.18 113.55 113.14 1wyn h SER 77 Ca -0.00 0.11 -0.00 0.00 -1.23 0.00 0.00 61.79 60.67 1wyn h SER 77 Cb 0.08 0.06 0.00 0.00 -0.44 0.00 0.00 62.40 62.10 1wyn h SER 77 CO 0.00 0.14 -0.01 0.78 -0.53 0.00 0.00 176.83 177.21 1wyn h ASN 78 N 0.52 -0.02 0.14 6.23 2.35 -0.88 -2.81 115.58 121.11 1wyn h ASN 78 Ca 0.46 -0.31 0.01 0.00 -0.55 0.00 0.00 56.30 55.91 1wyn h ASN 78 Cb 0.72 0.01 -0.03 0.00 0.05 0.00 0.00 38.32 39.07 1wyn h ASN 78 CO -0.41 0.30 -0.22 0.15 -1.65 0.00 0.00 177.43 175.60 1wyn h PHE 79 N -0.35 -0.59 -0.11 1.19 3.57 -0.27 -2.47 116.94 117.91 1wyn h PHE 79 Ca -0.00 0.01 0.02 0.00 3.53 0.00 0.00 57.97 61.52 1wyn h PHE 79 Cb 0.33 0.24 -0.03 0.00 2.79 0.00 0.00 35.95 39.29 1wyn h PHE 79 CO 0.03 -0.32 -0.20 0.82 -2.23 0.00 0.00 178.31 176.41 1wyn h ILE 80 N -0.43 0.00 -1.43 1.41 2.04 -0.73 0.17 117.51 118.54 1wyn h ILE 80 Ca 0.02 0.00 0.42 0.00 1.00 0.00 0.00 64.86 66.31 1wyn h ILE 80 Cb 0.44 0.00 -0.08 0.00 -0.74 0.00 0.00 36.82 36.44 1wyn h ILE 80 CO -0.11 0.00 0.99 0.11 0.00 0.00 0.00 178.15 179.15 1wyn h LYS 81 N -0.17 0.07 -0.41 2.37 1.57 -1.45 0.80 116.57 119.34 1wyn h LYS 81 Ca 0.02 -0.00 -0.10 0.00 -1.87 0.00 0.00 60.65 58.69 1wyn h LYS 81 Cb 0.23 -0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.51 1wyn h LYS 81 CO -0.20 0.05 -0.14 0.00 -0.57 0.00 0.00 179.45 178.59 1wyn h ALA 82 N 1.37 0.57 -0.43 3.86 0.00 -0.22 -3.14 119.26 121.26 1wyn h ALA 82 Ca 0.74 -0.34 0.06 0.00 0.00 0.00 0.00 54.91 55.37 1wyn h ALA 82 Cb 2.69 -0.14 -0.05 0.00 0.00 0.00 0.00 17.79 20.28 1wyn h ALA 82 CO -0.15 0.49 0.12 0.52 0.00 0.00 0.00 179.25 180.22 1wyn h MET 83 N 0.64 0.26 -0.94 0.00 2.86 0.16 -1.19 114.93 116.73 1wyn h MET 83 Ca 0.10 -0.02 0.16 0.00 -2.06 0.00 0.00 59.70 57.89 1wyn h MET 83 Cb 0.69 -0.06 -0.08 0.00 0.06 0.00 0.00 31.60 32.21 1wyn h MET 83 CO 0.05 0.17 0.60 0.28 1.06 0.00 0.00 176.91 179.07 1wyn h VAL 84 N 0.26 0.79 -0.52 -2.22 2.07 -1.47 -0.38 116.25 114.78 1wyn h VAL 84 Ca 0.21 -0.24 -0.12 0.00 0.82 0.00 0.00 66.70 67.36 1wyn h VAL 84 Cb 0.24 0.02 -0.02 0.00 -1.52 0.00 0.00 31.29 30.01 1wyn h VAL 84 CO -0.25 0.13 -0.15 -1.28 0.02 0.00 0.00 177.57 176.04 1wyn h SER 85 N 0.71 1.04 -0.54 0.57 0.87 -1.22 -3.11 113.55 111.86 1wyn h SER 85 Ca 0.49 -0.37 0.09 0.00 -1.23 0.00 0.00 61.79 60.77 1wyn h SER 85 Cb 0.81 -0.28 -0.07 0.00 -0.44 0.00 0.00 62.40 62.42 1wyn h SER 85 CO -0.25 1.17 0.15 0.22 -0.53 0.00 0.00 176.83 177.58 1wyn h TYR 86 N 0.89 0.24 0.00 2.24 3.20 -0.50 -3.45 116.97 119.60 1wyn h TYR 86 Ca 0.13 0.03 0.00 0.00 3.14 0.00 0.00 58.73 62.03 1wyn h TYR 86 Cb 0.73 -0.03 0.00 0.00 1.54 0.00 0.00 36.73 38.98 1wyn h TYR 86 CO 0.05 0.03 0.00 0.41 -1.64 0.00 0.00 178.16 177.01 1wyn n GLY 87 N -1.29 0.48 3.93 1.82 0.00 -1.08 -5.13 105.19 103.92 1wyn n GLY 87 Ca 0.07 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.84 1wyn n GLY 87 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1wyn s MET 88 N 0.00 3.24 0.53 1.61 -1.94 -1.21 -5.07 119.30 116.46 1wyn s MET 88 Ca 0.00 -0.21 -0.10 0.00 -1.71 0.00 0.00 55.69 53.67 1wyn s MET 88 Cb 0.00 -2.49 -0.05 0.00 2.01 0.00 0.00 34.83 34.30 1wyn s MET 88 CO 0.00 -0.24 0.91 -0.80 -0.01 0.00 0.00 175.02 174.88 1wyn s ASN 89 N -4.17 6.35 0.02 3.03 -0.87 -1.26 -4.78 114.94 113.27 1wyn s ASN 89 Ca 0.47 1.25 0.15 0.00 -1.57 0.00 0.00 52.86 53.16 1wyn s ASN 89 Cb -0.10 -2.39 0.64 0.00 -0.02 0.00 0.00 41.25 39.38 1wyn s ASN 89 CO 0.40 -0.66 1.48 -0.81 -2.57 0.00 0.00 177.10 174.94 1wyn n PRO 90 N -2.18 0.02 0.00 -0.60 -0.04 -1.26 -1.95 135.00 128.99 1wyn n PRO 90 Ca 0.04 0.27 0.11 0.00 -0.04 0.00 0.00 63.50 63.88 1wyn n PRO 90 Cb 0.54 -1.54 -0.05 0.00 -0.04 0.00 0.00 33.50 32.42 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 -1.57 0.00 -0.57 0.52 0.24 -1.26 -4.13 118.33 111.57 1wyn n VAL 91 Ca 0.03 -0.15 0.09 0.00 -2.04 0.00 0.00 64.34 62.28 1wyn n VAL 91 Cb 0.17 1.14 0.32 0.00 -1.47 0.00 0.00 33.84 34.00 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 -0.66 4.36 -4.97 -1.34 9.92 -0.82 -4.97 116.55 118.07 1wyn n ASP 92 Ca 0.07 -2.38 -0.18 0.00 -0.53 0.00 0.00 54.79 51.77 1wyn n ASP 92 Cb 0.41 -0.52 -0.00 0.00 -0.64 0.00 0.00 41.12 40.36 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 -1.70 3.64 -0.00 0.64 1.43 -1.24 -4.12 118.68 117.33 1wyn s LEU 93 Ca 0.47 -0.46 -0.03 0.00 -1.03 0.00 0.00 54.13 53.07 1wyn s LEU 93 Cb 0.29 -2.50 -0.00 0.00 0.03 0.00 0.00 46.19 44.00 1wyn s LEU 93 CO 0.23 -0.65 0.06 0.72 0.23 0.00 0.00 176.35 176.94 1wyn s PHE 94 N -2.35 0.08 0.66 0.29 -0.71 -1.26 -4.82 117.98 109.87 1wyn s PHE 94 Ca 0.51 -0.17 -0.11 0.00 -1.04 0.00 0.00 56.93 56.12 1wyn s PHE 94 Cb -0.08 -0.08 -0.01 0.00 -1.21 0.00 0.00 43.02 41.64 1wyn s PHE 94 CO 0.31 -0.18 1.05 -1.21 -1.34 0.00 0.00 175.22 173.85 1wyn s GLU 95 N -1.00 3.25 0.29 1.99 0.41 -1.26 -4.92 118.70 117.46 1wyn s GLU 95 Ca -0.11 0.75 0.01 0.00 -0.41 0.00 0.00 54.97 55.21 1wyn s GLU 95 Cb -0.06 -2.04 0.45 0.00 -1.78 0.00 0.00 34.13 30.69 1wyn s GLU 95 CO 0.00 -0.82 1.79 0.00 -0.49 0.00 0.00 175.26 175.74 1wyn h ALA 96 N -0.51 1.19 -0.44 5.21 0.00 -1.94 -2.93 119.26 119.84 1wyn h ALA 96 Ca -0.44 -0.26 -0.06 0.00 0.00 0.00 0.00 54.91 54.14 1wyn h ALA 96 Cb 1.21 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.82 1wyn h ALA 96 CO 0.61 0.52 0.04 -0.91 0.00 0.00 0.00 179.25 179.51 1wyn h ASN 97 N 0.57 0.74 -1.00 0.00 2.35 -1.96 -0.89 115.58 115.39 1wyn h ASN 97 Ca 0.11 -0.28 0.29 0.00 -0.55 0.00 0.00 56.30 55.86 1wyn h ASN 97 Cb 0.47 -0.20 -0.19 0.00 0.05 0.00 0.00 38.32 38.46 1wyn h ASN 97 CO 0.02 0.84 0.07 0.47 -1.65 0.00 0.00 177.43 177.18 1wyn n ASP 98 N -4.43 -0.07 -0.08 5.81 8.00 -1.11 0.12 116.55 124.79 1wyn n ASP 98 Ca 0.00 1.69 -0.12 0.00 0.71 0.00 0.00 54.79 57.07 1wyn n ASP 98 Cb 0.27 -0.64 -0.07 0.00 -0.02 0.00 0.00 41.12 40.67 1wyn n ASP 98 CO 0.00 0.00 0.00 0.25 -0.39 0.00 0.00 177.20 177.06 1wyn h LEU 99 N 0.00 0.00 0.15 0.64 5.85 -1.64 0.19 115.31 120.50 1wyn h LEU 99 Ca 0.63 -0.36 0.00 0.00 0.84 0.00 0.00 57.88 58.99 1wyn h LEU 99 Cb 1.35 0.00 -0.03 0.00 0.37 0.00 0.00 40.66 42.34 1wyn h LEU 99 CO -0.92 1.04 -0.38 0.15 -0.34 0.00 0.00 178.44 177.99 1wyn h PHE 100 N -1.00 -1.10 -0.30 1.25 3.57 -0.47 -1.52 116.94 117.37 1wyn h PHE 100 Ca -0.13 0.03 -0.06 0.00 3.53 0.00 0.00 57.97 61.33 1wyn h PHE 100 Cb 0.82 0.46 -0.03 0.00 2.79 0.00 0.00 35.95 39.98 1wyn h PHE 100 CO 0.02 -0.45 0.07 0.39 -2.23 0.00 0.00 178.31 176.11 1wyn n GLU 101 N -4.64 2.44 -1.78 1.11 1.02 0.33 -4.85 120.64 114.27 1wyn n GLU 101 Ca -0.07 -1.38 -0.03 0.00 -0.02 0.00 0.00 57.16 55.66 1wyn n GLU 101 Cb 0.31 -1.76 -0.01 0.00 -0.02 0.00 0.00 31.44 29.96 1wyn n GLU 101 CO 0.00 0.00 0.00 -1.13 1.18 0.00 0.00 177.13 177.18 1wyn n SER 102 N 0.15 -1.31 -0.14 1.62 3.41 -0.57 -4.70 113.62 112.07 1wyn n SER 102 Ca 0.16 0.25 0.28 0.00 -0.26 0.00 0.00 58.87 59.30 1wyn n SER 102 Cb 0.76 -1.40 0.70 0.00 -0.26 0.00 0.00 64.21 64.01 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 -5.84 5.00 0.00 -0.55 -3.40 103.07 98.29 1wyn h GLY 103 Ca -0.07 0.00 0.24 0.00 0.00 0.00 0.00 47.33 47.49 1wyn h GLY 103 CO 0.10 0.00 0.36 0.54 0.00 0.00 0.00 176.54 177.53 1wyn s ASN 104 N -4.93 -0.27 0.00 0.19 4.22 -0.62 -4.92 114.94 108.60 1wyn s ASN 104 Ca -0.04 0.31 0.16 0.00 -2.14 0.00 0.00 52.86 51.15 1wyn s ASN 104 Cb 0.18 1.29 0.46 0.00 1.28 0.00 0.00 41.25 44.47 1wyn s ASN 104 CO 0.65 -0.05 1.39 0.23 -2.04 0.00 0.00 177.10 177.27 1wyn n MET 105 N 4.92 2.20 -0.09 3.55 2.81 -1.26 -4.12 117.12 125.13 1wyn n MET 105 Ca -0.08 -1.87 -0.21 0.00 -1.81 0.00 0.00 57.70 53.73 1wyn n MET 105 Cb 0.54 -1.41 -0.12 0.00 -0.71 0.00 0.00 33.22 31.53 1wyn n MET 105 CO 0.00 0.00 0.00 0.25 1.51 0.00 0.00 175.97 177.73 1wyn n THR 106 N 1.02 1.58 0.07 2.03 -2.24 -1.26 -3.48 114.28 112.01 1wyn n THR 106 Ca 0.17 -0.52 -0.00 0.00 -2.27 0.00 0.00 64.05 61.43 1wyn n THR 106 Cb 0.44 -1.63 0.29 0.00 -2.10 0.00 0.00 70.33 67.33 1wyn n THR 106 CO 0.00 0.00 0.00 -0.61 -0.57 0.00 0.00 175.07 173.89 1wyn h GLN 107 N -0.22 0.34 0.02 -0.78 5.75 -1.90 -1.80 115.11 116.52 1wyn h GLN 107 Ca -0.54 -0.11 -0.21 0.00 -0.15 0.00 0.00 58.65 57.64 1wyn h GLN 107 Cb 1.84 -0.03 -0.02 0.00 1.07 0.00 0.00 27.48 30.34 1wyn h GLN 107 CO -0.11 0.54 -0.98 0.28 -2.65 0.00 0.00 178.83 175.91 1wyn h VAL 108 N 0.31 1.64 0.47 2.39 2.07 -1.76 -3.05 116.25 118.32 1wyn h VAL 108 Ca 0.05 -3.17 -0.02 0.00 0.82 0.00 0.00 66.70 64.38 1wyn h VAL 108 Cb 0.55 2.75 0.00 0.00 -1.52 0.00 0.00 31.29 33.08 1wyn h VAL 108 CO 0.04 0.91 -0.23 -0.61 0.02 0.00 0.00 177.57 177.70 1wyn h GLN 109 N 0.02 -0.61 -0.97 1.57 4.15 -1.52 -3.17 115.11 114.59 1wyn h GLN 109 Ca -0.03 0.04 0.17 0.00 0.77 0.00 0.00 58.65 59.60 1wyn h GLN 109 Cb 1.70 0.14 -0.10 0.00 0.21 0.00 0.00 27.48 29.43 1wyn h GLN 109 CO 0.14 -0.38 0.57 -0.39 -1.93 0.00 0.00 178.83 176.83 1wyn h VAL 110 N -1.15 0.74 -0.57 2.39 -1.51 -1.48 -0.92 116.25 113.76 1wyn h VAL 110 Ca -0.06 -0.26 0.11 0.00 -1.23 0.00 0.00 66.70 65.26 1wyn h VAL 110 Cb 0.51 -0.09 -0.09 0.00 -2.13 0.00 0.00 31.29 29.49 1wyn h VAL 110 CO 0.11 0.14 0.05 -1.28 -1.23 0.00 0.00 177.57 175.35 1wyn h SER 111 N 0.76 -0.15 -0.32 4.19 0.87 -1.58 0.19 113.55 117.51 1wyn h SER 111 Ca 0.54 0.13 -0.09 0.00 -1.23 0.00 0.00 61.79 61.13 1wyn h SER 111 Cb 0.79 0.21 -0.01 0.00 -0.44 0.00 0.00 62.40 62.94 1wyn h SER 111 CO -0.36 -0.06 -0.16 -0.07 -0.53 0.00 0.00 176.83 175.65 1wyn h LEU 112 N 0.17 0.70 -2.45 2.23 3.38 -1.17 0.84 115.31 119.01 1wyn h LEU 112 Ca 0.29 -0.41 -0.00 0.00 0.09 0.00 0.00 57.88 57.85 1wyn h LEU 112 Cb 0.45 -0.19 -0.00 0.00 0.09 0.00 0.00 40.66 41.01 1wyn h LEU 112 CO -0.44 0.95 -0.02 -0.07 0.09 0.00 0.00 178.44 178.95 1wyn h LEU 113 N 0.45 0.00 0.06 1.67 3.38 -0.45 0.68 115.31 121.10 1wyn h LEU 113 Ca 0.07 0.00 -0.36 0.00 0.09 0.00 0.00 57.88 57.69 1wyn h LEU 113 Cb 0.69 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.40 1wyn h LEU 113 CO 0.05 0.02 -2.09 0.00 0.09 0.00 0.00 178.44 176.51 1wyn n ALA 114 N -2.15 1.20 0.04 1.53 0.00 0.58 -3.88 120.51 117.83 1wyn n ALA 114 Ca -0.02 -0.82 -0.07 0.00 0.00 0.00 0.00 53.44 52.53 1wyn n ALA 114 Cb 0.14 -0.53 0.10 0.00 0.00 0.00 0.00 19.45 19.16 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 0.03 0.45 0.34 0.00 5.85 -0.39 -3.22 115.31 118.37 1wyn h LEU 115 Ca -0.45 -0.24 -0.02 0.00 0.84 0.00 0.00 57.88 58.02 1wyn h LEU 115 Cb 2.02 -0.13 0.00 0.00 0.37 0.00 0.00 40.66 42.93 1wyn h LEU 115 CO 0.04 0.91 -0.16 0.00 -0.34 0.00 0.00 178.44 178.89 1wyn h ALA 116 N 1.10 -0.46 -0.88 1.25 0.00 -1.06 -0.97 119.26 118.24 1wyn h ALA 116 Ca 0.00 -0.14 0.22 0.00 0.00 0.00 0.00 54.91 54.99 1wyn h ALA 116 Cb 1.07 0.18 -0.13 0.00 0.00 0.00 0.00 17.79 18.91 1wyn h ALA 116 CO 0.10 -0.69 0.36 0.78 0.00 0.00 0.00 179.25 179.80 1wyn h GLY 117 N -0.60 1.49 1.04 0.00 0.00 -1.67 0.29 103.07 103.62 1wyn h GLY 117 Ca -0.05 -0.14 -0.16 0.00 0.00 0.00 0.00 47.33 46.98 1wyn h GLY 117 CO 0.08 -0.28 -0.46 1.70 0.00 0.00 0.00 176.54 177.57 1wyn h LYS 118 N 0.36 0.75 -0.74 4.80 3.64 -1.54 -3.18 116.57 120.67 1wyn h LYS 118 Ca 0.55 -0.48 -0.03 0.00 -1.27 0.00 0.00 60.65 59.43 1wyn h LYS 118 Cb 1.06 0.06 -0.03 0.00 -0.41 0.00 0.00 32.23 32.90 1wyn h LYS 118 CO -0.55 1.10 0.34 0.00 -2.27 0.00 0.00 179.45 178.08 1wyn h ALA 119 N 0.64 1.21 -1.69 5.00 0.00 0.46 -2.51 119.26 122.37 1wyn h ALA 119 Ca 0.01 -0.15 0.49 0.00 0.00 0.00 0.00 54.91 55.26 1wyn h ALA 119 Cb 1.07 -0.30 -0.07 0.00 0.00 0.00 0.00 17.79 18.49 1wyn h ALA 119 CO 0.10 0.60 1.28 0.87 0.00 0.00 0.00 179.25 182.10 1wyn h LYS 120 N 1.05 0.00 -0.65 0.00 1.79 -0.50 0.20 116.57 118.45 1wyn h LYS 120 Ca 0.25 0.00 0.14 0.00 -2.18 0.00 0.00 60.65 58.86 1wyn h LYS 120 Cb 0.12 0.00 -0.12 0.00 -1.58 0.00 0.00 32.23 30.66 1wyn h LYS 120 CO -0.03 0.00 -0.06 0.00 -1.08 0.00 0.00 179.45 178.27 1wyn h THR 121 N 0.00 0.40 -0.78 -0.16 1.03 -1.61 -0.90 112.91 110.89 1wyn h THR 121 Ca 0.80 -0.02 0.13 0.00 -0.01 0.00 0.00 66.41 67.31 1wyn h THR 121 Cb 3.35 0.34 -0.13 0.00 -1.07 0.00 0.00 68.15 70.63 1wyn h THR 121 CO -0.01 0.01 -0.27 0.29 -0.01 0.00 0.00 175.52 175.53 1wyn n LYS 122 N -5.36 -0.15 -3.07 0.00 4.76 0.70 -3.43 118.16 111.61 1wyn n LYS 122 Ca 0.09 1.21 -0.17 0.00 -2.87 0.00 0.00 58.31 56.57 1wyn n LYS 122 Cb 0.37 -1.80 -0.04 0.00 -1.84 0.00 0.00 35.03 31.72 1wyn n LYS 122 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1wyn n GLY 123 N -1.41 1.33 3.66 0.72 0.00 -0.52 -5.13 105.19 103.84 1wyn n GLY 123 Ca 0.10 -0.71 -0.39 0.00 0.00 0.00 0.00 46.02 45.02 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 2.21 4.24 -3.67 0.99 4.77 -0.46 -2.99 117.00 122.08 1wyn n LEU 124 Ca 0.21 0.91 -0.23 0.00 -0.03 0.00 0.00 56.01 56.87 1wyn n LEU 124 Cb 0.54 -1.46 0.03 0.00 -2.33 0.00 0.00 43.42 40.21 1wyn n LEU 124 CO 0.08 -1.29 -0.07 0.00 -1.33 0.00 0.00 177.39 174.78 1wyn n GLN 125 N -0.82 -3.56 -3.47 3.23 6.02 -1.26 -4.92 117.38 112.59 1wyn n GLN 125 Ca 0.12 0.59 -0.40 0.00 -0.01 0.00 0.00 57.00 57.30 1wyn n GLN 125 Cb 0.45 -4.94 -0.04 0.00 1.02 0.00 0.00 30.24 26.73 1wyn n GLN 125 CO 0.00 0.00 0.00 -1.13 -1.01 0.00 0.00 177.06 174.92 1wyn n SER 126 N -2.98 4.85 -4.01 1.08 3.41 -1.16 -5.05 113.62 109.76 1wyn n SER 126 Ca -0.23 -3.13 -0.18 0.00 -0.26 0.00 0.00 58.87 55.08 1wyn n SER 126 Cb 0.65 -1.18 0.09 0.00 -0.26 0.00 0.00 64.21 63.51 1wyn n SER 126 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1wyn n GLY 127 N 2.31 0.81 3.10 5.00 0.00 -1.26 -5.13 105.19 110.03 1wyn n GLY 127 Ca 0.23 -2.03 -0.12 0.00 0.00 0.00 0.00 46.02 44.10 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 -2.29 0.60 -0.30 1.61 0.11 -1.26 -5.13 120.40 113.74 1wyn s VAL 128 Ca 0.51 -1.40 -0.12 0.00 -2.93 0.00 0.00 61.98 58.04 1wyn s VAL 128 Cb -0.03 -1.01 -0.04 0.00 -1.53 0.00 0.00 36.38 33.77 1wyn s VAL 128 CO 0.34 -0.56 0.23 -1.81 -3.33 0.00 0.00 175.10 169.97 1wyn s ASP 129 N -2.13 6.06 -0.66 3.54 1.11 -1.26 -5.00 116.67 118.34 1wyn s ASP 129 Ca -0.02 -0.12 0.04 0.00 0.18 0.00 0.00 52.55 52.63 1wyn s ASP 129 Cb -0.04 -2.14 0.31 0.00 1.07 0.00 0.00 42.92 42.12 1wyn s ASP 129 CO -0.02 -0.14 1.00 -0.38 1.18 0.00 0.00 175.17 176.81 1wyn n ILE 130 N 5.09 3.26 -1.83 0.77 2.08 -1.26 -4.96 119.36 122.51 1wyn n ILE 130 Ca -0.13 -5.54 -0.42 0.00 0.56 0.00 0.00 62.75 57.23 1wyn n ILE 130 Cb 0.51 -1.64 -0.00 0.00 -0.75 0.00 0.00 39.64 37.76 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 0.14 4.54 3.14 7.39 0.00 -1.26 -4.87 105.19 114.27 1wyn n GLY 131 Ca 0.32 -1.73 -0.12 0.00 0.00 0.00 0.00 46.02 44.48 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 2.04 0.03 0.30 1.61 1.01 -1.26 -5.16 120.40 118.97 1wyn s VAL 132 Ca 0.49 -0.27 -0.04 0.00 0.00 0.00 0.00 61.98 62.16 1wyn s VAL 132 Cb 0.14 -0.42 -0.05 0.00 0.00 0.00 0.00 36.38 36.05 1wyn s VAL 132 CO -0.06 -0.15 0.56 -1.59 0.00 0.00 0.00 175.10 173.86 1wyn s LYS 133 N -0.53 3.61 0.09 2.72 0.00 -1.26 -5.10 119.74 119.27 1wyn s LYS 133 Ca -0.06 -0.03 0.09 0.00 0.00 0.00 0.00 55.97 55.97 1wyn s LYS 133 Cb -0.04 -2.64 -0.04 0.00 0.00 0.00 0.00 37.83 35.11 1wyn s LYS 133 CO 0.01 0.19 -0.20 -0.47 0.00 0.00 0.00 175.35 174.89 1wyn s TYR 134 N -2.13 2.50 0.17 1.78 5.04 -1.26 -5.04 117.35 118.42 1wyn s TYR 134 Ca 0.44 -0.28 -0.14 0.00 -2.44 0.00 0.00 57.07 54.64 1wyn s TYR 134 Cb -0.11 -1.37 0.07 0.00 0.35 0.00 0.00 41.96 40.90 1wyn s TYR 134 CO 0.31 0.33 1.81 0.66 -1.34 0.00 0.00 175.55 177.33 1wyn h SER 135 N 4.03 0.64 -3.40 4.32 4.64 -2.05 -3.41 113.55 118.32 1wyn h SER 135 Ca -0.49 -0.05 -0.60 0.00 -0.47 0.00 0.00 61.79 60.18 1wyn h SER 135 Cb 1.16 -0.16 -0.12 0.00 -0.31 0.00 0.00 62.40 62.97 1wyn h SER 135 CO 0.45 0.50 -0.37 -0.70 -0.87 0.00 0.00 176.83 175.84 1wyn s GLU 136 N -6.03 4.18 -0.27 4.77 2.12 -1.26 -5.02 118.70 117.19 1wyn s GLU 136 Ca -0.13 -0.03 -0.28 0.00 0.36 0.00 0.00 54.97 54.89 1wyn s GLU 136 Cb 0.12 -3.48 -0.05 0.00 0.26 0.00 0.00 34.13 30.99 1wyn s GLU 136 CO 0.75 0.14 2.20 0.21 -0.54 0.00 0.00 175.26 178.03 1wyn s LYS 137 N 0.78 3.01 -0.37 4.30 2.20 -1.26 -4.94 119.74 123.47 1wyn s LYS 137 Ca 0.13 1.88 -0.04 0.00 -0.36 0.00 0.00 55.97 57.58 1wyn s LYS 137 Cb -0.13 -4.38 0.08 0.00 -1.51 0.00 0.00 37.83 31.88 1wyn s LYS 137 CO 0.04 -2.24 0.14 -1.14 -0.36 0.00 0.00 175.35 171.79 1wyn s GLN 138 N 6.54 2.32 -0.20 4.03 2.00 -1.26 -5.06 119.66 128.03 1wyn s GLN 138 Ca 0.98 -1.50 -0.11 0.00 -2.00 0.00 0.00 55.36 52.73 1wyn s GLN 138 Cb -0.30 -3.49 0.07 0.00 0.80 0.00 0.00 33.01 30.09 1wyn s GLN 138 CO 0.34 -0.86 0.49 -2.00 -0.50 0.00 0.00 175.29 172.75 1wyn s GLU 139 N 1.26 0.48 -0.09 1.67 2.12 -1.26 -5.14 118.70 117.74 1wyn s GLU 139 Ca 0.02 0.94 -0.26 0.00 0.36 0.00 0.00 54.97 56.04 1wyn s GLU 139 Cb -0.21 0.07 -0.03 0.00 0.26 0.00 0.00 34.13 34.22 1wyn s GLU 139 CO -0.01 -0.16 0.82 0.50 -0.54 0.00 0.00 175.26 175.86 1wyn s ARG 140 N 1.60 4.42 -1.03 4.30 3.52 -1.26 -4.99 118.95 125.51 1wyn s ARG 140 Ca -0.09 1.07 -0.22 0.00 -0.13 0.00 0.00 55.73 56.36 1wyn s ARG 140 Cb -0.08 -3.50 0.07 0.00 -1.56 0.00 0.00 34.95 29.88 1wyn s ARG 140 CO -0.15 -0.11 1.41 0.45 -0.81 0.00 0.00 175.30 176.10 1wyn s SER 141 N 0.98 6.56 0.42 -2.12 0.15 -1.26 -4.96 113.70 113.48 1wyn s SER 141 Ca 0.41 -1.68 0.04 0.00 0.70 0.00 0.00 55.95 55.42 1wyn s SER 141 Cb -0.18 -2.54 -0.04 0.00 -1.71 0.00 0.00 66.02 61.55 1wyn s SER 141 CO 0.18 -1.38 0.05 -0.83 1.20 0.00 0.00 173.24 172.46 1wyn s GLY 142 N 4.62 2.61 0.38 9.45 0.00 -1.26 -5.04 107.32 118.09 1wyn s GLY 142 Ca 0.44 -1.37 0.17 0.00 0.00 0.00 0.00 44.72 43.97 1wyn s GLY 142 CO -0.08 -2.01 1.80 -0.56 0.00 0.00 0.00 173.10 172.25 1wyn h PRO 143 N 1.71 0.00 -5.57 2.90 0.13 -2.08 -3.44 132.00 125.66 1wyn h PRO 143 Ca -0.41 0.00 -0.65 0.00 -0.87 0.00 0.00 66.00 64.07 1wyn h PRO 143 Cb 1.27 0.00 -0.06 0.00 0.13 0.00 0.00 31.00 32.34 1wyn h PRO 143 CO 0.70 0.37 1.51 -1.13 -0.23 0.00 0.00 178.00 179.22 1wyn n SER 144 N -3.74 0.57 -4.40 1.44 3.41 -1.26 -4.89 113.62 104.75 1wyn n SER 144 Ca -0.01 0.46 -0.30 0.00 -0.26 0.00 0.00 58.87 58.75 1wyn n SER 144 Cb 0.45 -0.91 -0.14 0.00 -0.26 0.00 0.00 64.21 63.35 1wyn n SER 144 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 1wyn s SER 145 N 7.33 3.46 0.00 4.04 0.01 -1.26 -5.17 113.70 122.11 1wyn s SER 145 Ca 1.27 -0.51 0.00 0.00 1.31 0.00 0.00 55.95 58.02 1wyn s SER 145 Cb -1.39 -0.44 0.00 0.00 0.21 0.00 0.00 66.02 64.40 1wyn s SER 145 CO 0.58 0.26 0.00 0.61 0.41 0.00 0.00 173.24 175.11