#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 0.73 -3.57 1.61 2.88 -1.26 -5.14 113.62 108.87 1wyn n SER 2 Ca 0.00 0.24 -0.09 0.00 -1.33 0.00 0.00 58.87 57.69 1wyn n SER 2 Cb 0.00 -0.12 -0.04 0.00 -0.75 0.00 0.00 64.21 63.30 1wyn n SER 2 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 1wyn s SER 3 N -5.70 -0.33 0.00 -3.46 1.04 -1.26 -5.19 113.70 98.81 1wyn s SER 3 Ca 0.00 0.26 0.00 0.00 0.48 0.00 0.00 55.95 56.69 1wyn s SER 3 Cb 0.00 0.29 0.00 0.00 0.10 0.00 0.00 66.02 66.41 1wyn s SER 3 CO 0.00 -0.38 0.00 0.61 0.98 0.00 0.00 173.24 174.45 1wyn n GLY 4 N 0.43 5.41 3.34 7.32 0.00 -1.26 -5.15 105.19 115.28 1wyn n GLY 4 Ca -0.08 -1.22 -0.29 0.00 0.00 0.00 0.00 46.02 44.43 1wyn n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1wyn n SER 5 N 0.00 -2.44 -0.03 1.61 7.64 -1.26 -4.97 113.62 114.17 1wyn n SER 5 Ca 0.00 -0.29 -0.21 0.00 1.01 0.00 0.00 58.87 59.38 1wyn n SER 5 Cb 0.00 -1.09 -0.13 0.00 -1.01 0.00 0.00 64.21 61.98 1wyn n SER 5 CO 0.00 0.00 0.00 0.77 -3.01 0.00 0.00 175.04 172.80 1wyn h SER 6 N -2.68 0.25 -1.36 6.43 4.64 -2.03 -3.50 113.55 115.29 1wyn h SER 6 Ca -0.55 -0.80 0.00 0.00 -0.47 0.00 0.00 61.79 59.97 1wyn h SER 6 Cb 1.31 -0.08 0.00 0.00 -0.31 0.00 0.00 62.40 63.32 1wyn h SER 6 CO 0.41 1.52 0.00 0.61 -0.87 0.00 0.00 176.83 178.50 1wyn n GLY 7 N 1.66 4.32 2.56 -0.77 0.00 -1.26 -5.08 105.19 106.62 1wyn n GLY 7 Ca -0.25 -0.80 -0.27 0.00 0.00 0.00 0.00 46.02 44.69 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 2.53 0.04 1.61 4.22 -1.26 -4.82 114.94 117.26 1wyn s ASN 8 Ca 0.00 -3.31 -0.05 0.00 -2.14 0.00 0.00 52.86 47.36 1wyn s ASN 8 Cb 0.00 -0.82 -0.01 0.00 1.28 0.00 0.00 41.25 41.70 1wyn s ASN 8 CO 0.00 -0.14 0.08 -0.13 -2.04 0.00 0.00 177.10 174.86 1wyn s ARG 9 N -0.42 0.58 0.00 3.55 0.52 -1.23 -4.86 118.95 117.10 1wyn s ARG 9 Ca 0.30 -0.80 -0.26 0.00 -0.52 0.00 0.00 55.73 54.45 1wyn s ARG 9 Cb 0.01 0.23 0.06 0.00 0.52 0.00 0.00 34.95 35.76 1wyn s ARG 9 CO -0.19 -0.14 0.59 -0.48 0.02 0.00 0.00 175.30 175.10 1wyn s LEU 10 N -2.20 -0.32 0.81 2.53 2.34 -1.26 -3.29 118.68 117.29 1wyn s LEU 10 Ca -0.04 0.43 -0.14 0.00 0.06 0.00 0.00 54.13 54.44 1wyn s LEU 10 Cb -0.00 2.29 0.02 0.00 -0.56 0.00 0.00 46.19 47.93 1wyn s LEU 10 CO -0.05 -0.66 0.68 0.00 -1.06 0.00 0.00 176.35 175.26 1wyn n LEU 11 N 0.69 1.54 -3.79 1.48 -0.00 -1.26 -4.94 117.00 110.72 1wyn n LEU 11 Ca -0.19 0.52 -0.24 0.00 -0.00 0.00 0.00 56.01 56.09 1wyn n LEU 11 Cb 0.59 -1.29 -0.17 0.00 -0.00 0.00 0.00 43.42 42.54 1wyn n LEU 11 CO 0.21 -2.86 -0.39 -0.55 -0.00 0.00 0.00 177.39 173.80 1wyn s SER 12 N -1.80 1.91 0.00 1.45 0.15 -1.26 -4.99 113.70 109.16 1wyn s SER 12 Ca 0.65 -0.24 -0.29 0.00 0.70 0.00 0.00 55.95 56.77 1wyn s SER 12 Cb -0.29 -0.53 0.11 0.00 -1.71 0.00 0.00 66.02 63.60 1wyn s SER 12 CO 0.59 -0.20 1.26 -1.59 1.20 0.00 0.00 173.24 174.49 1wyn s LYS 13 N 1.91 0.48 0.26 5.44 0.00 -1.26 -5.05 119.74 121.52 1wyn s LYS 13 Ca 0.04 -0.28 -0.29 0.00 0.00 0.00 0.00 55.97 55.44 1wyn s LYS 13 Cb -0.13 0.15 -0.09 0.00 0.00 0.00 0.00 37.83 37.76 1wyn s LYS 13 CO -0.06 -0.22 0.93 -0.47 0.00 0.00 0.00 175.35 175.53 1wyn s TYR 14 N -2.35 3.91 -0.26 1.78 6.14 -1.26 -4.79 117.35 120.51 1wyn s TYR 14 Ca 0.18 1.87 -0.25 0.00 0.64 0.00 0.00 57.07 59.51 1wyn s TYR 14 Cb 0.03 -2.96 0.07 0.00 0.42 0.00 0.00 41.96 39.53 1wyn s TYR 14 CO -0.02 0.40 0.73 0.34 0.64 0.00 0.00 175.55 177.64 1wyn s ASP 15 N -1.29 -0.73 0.00 4.32 2.15 -1.26 -5.02 116.67 114.83 1wyn s ASP 15 Ca 0.43 1.40 0.15 0.00 0.43 0.00 0.00 52.55 54.95 1wyn s ASP 15 Cb -0.24 1.41 0.67 0.00 -0.30 0.00 0.00 42.92 44.46 1wyn s ASP 15 CO 0.30 -0.26 1.44 -0.81 -0.17 0.00 0.00 175.17 175.66 1wyn n PRO 16 N 2.59 0.09 -0.10 4.34 -0.04 -1.26 -2.62 135.00 138.01 1wyn n PRO 16 Ca -0.14 0.21 -0.17 0.00 -0.04 0.00 0.00 63.50 63.36 1wyn n PRO 16 Cb 0.55 -1.50 -0.08 0.00 -0.04 0.00 0.00 33.50 32.43 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 -1.41 0.46 -0.15 0.54 6.02 -1.26 -4.60 117.38 116.99 1wyn n GLN 17 Ca 0.05 0.14 -0.05 0.00 -0.01 0.00 0.00 57.00 57.13 1wyn n GLN 17 Cb 0.15 -1.32 0.04 0.00 1.02 0.00 0.00 30.24 30.12 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 -0.30 0.45 -0.99 -1.09 1.79 -1.95 -2.46 116.57 112.03 1wyn h LYS 18 Ca -0.47 -0.03 0.28 0.00 -2.18 0.00 0.00 60.65 58.25 1wyn h LYS 18 Cb 1.58 -0.10 -0.18 0.00 -1.58 0.00 0.00 32.23 31.95 1wyn h LYS 18 CO -0.17 0.30 0.05 1.49 -1.08 0.00 0.00 179.45 180.04 1wyn h GLU 19 N 0.46 0.01 -0.77 3.15 4.22 -1.75 1.22 114.58 121.12 1wyn h GLU 19 Ca 0.20 -0.00 -0.03 0.00 0.08 0.00 0.00 59.36 59.61 1wyn h GLU 19 Cb 0.10 -0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.31 1wyn h GLU 19 CO -0.14 0.01 0.36 0.00 -2.18 0.00 0.00 179.01 177.06 1wyn h ALA 20 N 1.99 1.18 -0.62 2.92 0.00 -1.70 -2.69 119.26 120.34 1wyn h ALA 20 Ca 0.61 -0.16 0.07 0.00 0.00 0.00 0.00 54.91 55.43 1wyn h ALA 20 Cb 1.28 -0.31 -0.06 0.00 0.00 0.00 0.00 17.79 18.70 1wyn h ALA 20 CO -0.92 0.62 0.31 0.93 0.00 0.00 0.00 179.25 180.19 1wyn h GLU 21 N 1.10 0.55 0.11 0.00 5.08 0.15 -0.28 114.58 121.29 1wyn h GLU 21 Ca 0.26 -0.03 -0.01 0.00 -1.00 0.00 0.00 59.36 58.59 1wyn h GLU 21 Cb 0.12 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 29.25 1wyn h GLU 21 CO -0.03 0.37 -0.05 -0.07 -1.00 0.00 0.00 179.01 178.22 1wyn h LEU 22 N 0.57 -0.13 -1.11 1.33 3.38 -1.11 0.68 115.31 118.92 1wyn h LEU 22 Ca 0.29 0.00 0.34 0.00 0.09 0.00 0.00 57.88 58.60 1wyn h LEU 22 Cb 0.23 0.03 -0.14 0.00 0.09 0.00 0.00 40.66 40.88 1wyn h LEU 22 CO -0.21 -0.09 0.63 0.08 0.09 0.00 0.00 178.44 178.94 1wyn h ARG 23 N -0.16 0.26 -0.07 1.13 0.11 -1.48 1.30 114.38 115.47 1wyn h ARG 23 Ca -0.02 -0.02 -0.12 0.00 0.10 0.00 0.00 59.98 59.93 1wyn h ARG 23 Cb 0.12 -0.06 -0.01 0.00 1.11 0.00 0.00 29.97 31.12 1wyn h ARG 23 CO 0.03 0.17 -0.51 1.15 0.10 0.00 0.00 179.97 180.90 1wyn h THR 24 N 0.27 1.36 0.00 0.08 2.02 -0.92 0.30 112.91 116.02 1wyn h THR 24 Ca 0.74 -1.77 -0.22 0.00 0.77 0.00 0.00 66.41 65.93 1wyn h THR 24 Cb 1.85 1.88 -0.03 0.00 -1.74 0.00 0.00 68.15 70.11 1wyn h THR 24 CO -0.55 0.52 -1.10 -0.25 0.37 0.00 0.00 175.52 174.51 1wyn h TRP 25 N 0.14 0.00 0.00 3.16 7.01 0.38 -3.27 115.95 123.37 1wyn h TRP 25 Ca 0.00 0.00 -0.08 0.00 2.11 0.00 0.00 58.89 60.92 1wyn h TRP 25 Cb 0.96 0.00 -0.01 0.00 -2.10 0.00 0.00 29.16 28.01 1wyn h TRP 25 CO 0.01 0.99 -0.45 0.82 -2.79 0.00 0.00 178.44 177.02 1wyn h ILE 26 N 0.00 1.28 -1.00 2.65 2.04 -0.04 -3.04 117.51 119.39 1wyn h ILE 26 Ca -0.05 -2.13 0.30 0.00 1.00 0.00 0.00 64.86 63.98 1wyn h ILE 26 Cb 1.80 2.59 -0.14 0.00 -0.74 0.00 0.00 36.82 40.32 1wyn h ILE 26 CO 0.12 0.43 0.58 -0.33 0.00 0.00 0.00 178.15 178.95 1wyn h GLU 27 N -1.00 0.39 0.02 2.37 5.08 -0.55 0.45 114.58 121.34 1wyn h GLU 27 Ca -0.12 -0.02 -0.21 0.00 -1.00 0.00 0.00 59.36 58.01 1wyn h GLU 27 Cb 1.01 -0.09 -0.02 0.00 0.50 0.00 0.00 28.75 30.15 1wyn h GLU 27 CO -0.07 0.26 -0.95 0.78 -1.00 0.00 0.00 179.01 178.02 1wyn h GLY 28 N 0.40 0.13 0.62 -3.84 0.00 -1.69 0.31 103.07 98.99 1wyn h GLY 28 Ca 0.71 -0.26 -0.03 0.00 0.00 0.00 0.00 47.33 47.75 1wyn h GLY 28 CO -0.57 0.23 -0.30 1.41 0.00 0.00 0.00 176.54 177.32 1wyn h LEU 29 N 0.05 -0.70 0.00 3.11 3.38 -0.04 -3.31 115.31 117.79 1wyn h LEU 29 Ca -0.04 0.02 -0.20 0.00 0.09 0.00 0.00 57.88 57.75 1wyn h LEU 29 Cb 1.64 0.18 -0.03 0.00 0.09 0.00 0.00 40.66 42.54 1wyn h LEU 29 CO 0.14 -0.39 -0.97 0.71 0.09 0.00 0.00 178.44 178.01 1wyn h THR 30 N -1.05 1.53 0.00 0.22 1.35 -1.33 -3.48 112.91 110.15 1wyn h THR 30 Ca -0.08 -3.19 0.00 0.00 -0.55 0.00 0.00 66.41 62.59 1wyn h THR 30 Cb 0.64 2.75 0.00 0.00 -1.73 0.00 0.00 68.15 69.81 1wyn h THR 30 CO 0.14 0.87 0.00 0.61 -0.25 0.00 0.00 175.52 176.89 1wyn n GLY 31 N 1.34 0.51 1.98 5.82 0.00 0.11 -5.05 105.19 109.90 1wyn n GLY 31 Ca -0.01 -0.71 -0.11 0.00 0.00 0.00 0.00 46.02 45.20 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 -4.17 0.99 4.77 -1.17 -4.98 117.00 112.44 1wyn n LEU 32 Ca 0.00 -1.33 -0.29 0.00 -0.03 0.00 0.00 56.01 54.37 1wyn n LEU 32 Cb 0.00 -0.17 -0.16 0.00 -2.33 0.00 0.00 43.42 40.76 1wyn n LEU 32 CO 0.00 -0.56 -0.53 -0.55 -1.33 0.00 0.00 177.39 174.42 1wyn s SER 33 N -2.79 2.57 0.05 -1.43 0.15 -1.26 -4.62 113.70 106.37 1wyn s SER 33 Ca 0.27 -0.44 -0.16 0.00 0.70 0.00 0.00 55.95 56.33 1wyn s SER 33 Cb -0.02 -0.91 -0.27 0.00 -1.71 0.00 0.00 66.02 63.11 1wyn s SER 33 CO 0.17 0.16 1.12 0.40 1.20 0.00 0.00 173.24 176.29 1wyn h ILE 34 N 5.44 1.31 0.00 6.45 2.04 -1.91 -3.50 117.51 127.34 1wyn h ILE 34 Ca -0.28 -2.35 0.00 0.00 1.00 0.00 0.00 64.86 63.22 1wyn h ILE 34 Cb 1.19 2.62 0.00 0.00 -0.74 0.00 0.00 36.82 39.89 1wyn h ILE 34 CO 0.47 0.72 0.00 0.61 0.00 0.00 0.00 178.15 179.95 1wyn n GLY 35 N 1.27 -0.33 0.00 5.37 0.00 -1.26 -3.77 105.19 106.48 1wyn n GLY 35 Ca -0.13 -2.26 0.07 0.00 0.00 0.00 0.00 46.02 43.71 1wyn n GLY 35 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1wyn n PRO 36 N -0.25 0.30 -3.87 1.61 -0.04 -1.26 -4.69 135.00 126.80 1wyn n PRO 36 Ca 0.00 0.10 -0.11 0.00 -0.04 0.00 0.00 63.50 63.45 1wyn n PRO 36 Cb 0.00 -1.50 -0.11 0.00 -0.04 0.00 0.00 33.50 31.85 1wyn n PRO 36 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1wyn s ASP 37 N -2.38 -0.00 -0.08 3.54 1.11 -1.26 -5.09 116.67 112.51 1wyn s ASP 37 Ca 0.17 -0.09 -0.03 0.00 0.18 0.00 0.00 52.55 52.79 1wyn s ASP 37 Cb 0.10 0.22 -0.01 0.00 1.07 0.00 0.00 42.92 44.30 1wyn s ASP 37 CO 0.21 -0.25 -0.05 0.15 1.18 0.00 0.00 175.17 176.40 1wyn h PHE 38 N 4.88 0.00 -0.96 4.23 3.57 -1.89 -2.38 116.94 124.39 1wyn h PHE 38 Ca -0.29 0.00 0.29 0.00 3.53 0.00 0.00 57.97 61.50 1wyn h PHE 38 Cb 1.20 0.00 -0.17 0.00 2.79 0.00 0.00 35.95 39.77 1wyn h PHE 38 CO 0.54 0.00 0.22 0.37 -2.23 0.00 0.00 178.31 177.21 1wyn h GLN 39 N -0.68 0.08 0.18 1.11 -0.00 -1.98 -0.84 115.11 112.98 1wyn h GLN 39 Ca 0.00 -0.00 -0.01 0.00 -0.00 0.00 0.00 58.65 58.64 1wyn h GLN 39 Cb 0.15 -0.02 0.00 0.00 0.00 0.00 0.00 27.48 27.62 1wyn h GLN 39 CO 0.00 0.05 -0.09 0.87 0.00 0.00 0.00 178.83 179.66 1wyn h LYS 40 N 0.08 -0.24 -1.15 1.69 6.56 -1.92 0.34 116.57 121.93 1wyn h LYS 40 Ca 0.64 0.02 0.39 0.00 -1.06 0.00 0.00 60.65 60.63 1wyn h LYS 40 Cb 1.42 0.05 -0.10 0.00 -0.57 0.00 0.00 32.23 33.03 1wyn h LYS 40 CO -0.80 -0.16 0.75 0.41 -2.06 0.00 0.00 179.45 177.60 1wyn n GLY 41 N 0.92 -0.68 0.10 3.86 0.00 -0.82 0.17 105.19 108.74 1wyn n GLY 41 Ca -0.03 0.59 -0.12 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 -4.17 0.91 0.00 0.99 4.77 -0.38 -4.57 117.00 114.55 1wyn n LEU 42 Ca 0.32 0.11 0.00 0.00 -0.03 0.00 0.00 56.01 56.41 1wyn n LEU 42 Cb 1.28 0.06 0.00 0.00 -2.33 0.00 0.00 43.42 42.43 1wyn n LEU 42 CO 0.17 0.57 0.43 1.17 -1.33 0.00 0.00 177.39 178.40 1wyn n LYS 43 N -2.97 0.00 -0.28 3.23 4.81 0.45 0.81 118.16 124.21 1wyn n LYS 43 Ca -0.31 0.86 0.27 0.00 -0.87 0.00 0.00 58.31 58.26 1wyn n LYS 43 Cb 1.10 -1.31 0.49 0.00 0.02 0.00 0.00 35.03 35.33 1wyn n LYS 43 CO 0.00 0.00 0.00 -0.40 1.17 0.00 0.00 177.40 178.17 1wyn n ASP 44 N -2.71 0.28 -0.38 3.14 5.68 -1.17 -4.77 116.55 116.63 1wyn n ASP 44 Ca 0.00 1.35 0.00 0.00 -0.50 0.00 0.00 54.79 55.64 1wyn n ASP 44 Cb 0.00 -0.66 0.00 0.00 -1.14 0.00 0.00 41.12 39.32 1wyn n ASP 44 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1wyn n GLY 45 N -1.23 0.97 0.11 6.12 0.00 0.24 -4.25 105.19 107.14 1wyn n GLY 45 Ca 0.32 -0.51 -0.13 0.00 0.00 0.00 0.00 46.02 45.69 1wyn n GLY 45 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1wyn n THR 46 N -1.87 1.48 -0.09 2.61 -2.24 -1.26 -4.47 114.28 108.44 1wyn n THR 46 Ca 0.00 -0.74 -0.15 0.00 -2.27 0.00 0.00 64.05 60.89 1wyn n THR 46 Cb 0.37 -0.95 -0.06 0.00 -2.10 0.00 0.00 70.33 67.59 1wyn n THR 46 CO 0.00 0.00 0.00 -0.38 -0.57 0.00 0.00 175.07 174.12 1wyn n ILE 47 N -3.01 1.48 -0.31 2.28 5.41 -1.26 -4.10 119.36 119.85 1wyn n ILE 47 Ca -0.35 0.04 0.27 0.00 1.00 0.00 0.00 62.75 63.71 1wyn n ILE 47 Cb 1.08 -2.20 0.47 0.00 -0.71 0.00 0.00 39.64 38.29 1wyn n ILE 47 CO 0.00 0.00 0.00 0.18 0.00 0.00 0.00 176.55 176.73 1wyn n LEU 48 N -4.48 0.18 0.28 1.39 4.77 -1.26 0.78 117.00 118.66 1wyn n LEU 48 Ca -0.23 1.07 -0.13 0.00 -0.03 0.00 0.00 56.01 56.69 1wyn n LEU 48 Cb 0.53 -0.52 -0.07 0.00 -2.33 0.00 0.00 43.42 41.03 1wyn n LEU 48 CO 0.14 -1.18 0.38 0.00 -1.33 0.00 0.00 177.39 175.40 1wyn h THR 50 N -1.12 0.53 -0.87 0.00 1.35 0.22 -1.50 112.91 111.51 1wyn h THR 50 Ca -0.08 -0.01 0.17 0.00 -0.55 0.00 0.00 66.41 65.94 1wyn h THR 50 Cb 0.62 0.50 -0.16 0.00 -1.73 0.00 0.00 68.15 67.38 1wyn h THR 50 CO 0.13 0.00 -0.26 0.25 -0.25 0.00 0.00 175.52 175.39 1wyn h LEU 51 N 0.03 -0.96 0.53 3.87 5.85 -1.28 -0.23 115.31 123.11 1wyn h LEU 51 Ca 0.24 0.27 -0.03 0.00 0.84 0.00 0.00 57.88 59.21 1wyn h LEU 51 Cb 0.37 0.59 0.01 0.00 0.37 0.00 0.00 40.66 41.99 1wyn h LEU 51 CO -0.49 -0.29 -0.25 -0.03 -0.34 0.00 0.00 178.44 177.03 1wyn h MET 52 N -0.02 -0.68 -1.09 1.25 4.05 -1.27 -2.71 114.93 114.46 1wyn h MET 52 Ca 0.39 0.05 0.40 0.00 -0.28 0.00 0.00 59.70 60.26 1wyn h MET 52 Cb 0.63 0.15 -0.16 0.00 -0.80 0.00 0.00 31.60 31.43 1wyn h MET 52 CO -0.90 -0.43 0.63 -0.91 0.23 0.00 0.00 176.91 175.53 1wyn h ASN 53 N -0.77 0.36 -0.86 1.39 2.35 -0.61 1.16 115.58 118.61 1wyn h ASN 53 Ca -0.07 0.21 0.01 0.00 -0.55 0.00 0.00 56.30 55.89 1wyn h ASN 53 Cb 0.57 0.20 -0.04 0.00 0.05 0.00 0.00 38.32 39.09 1wyn h ASN 53 CO 0.12 -0.29 0.56 0.11 -1.65 0.00 0.00 177.43 176.28 1wyn h LYS 54 N 0.11 1.14 0.02 0.81 1.79 -0.96 -3.13 116.57 116.35 1wyn h LYS 54 Ca 0.81 -0.08 -0.00 0.00 -2.18 0.00 0.00 60.65 59.20 1wyn h LYS 54 Cb 2.18 -0.25 0.00 0.00 -1.58 0.00 0.00 32.23 32.58 1wyn h LYS 54 CO -0.63 0.76 -0.01 -0.07 -1.08 0.00 0.00 179.45 178.42 1wyn h LEU 55 N 1.17 -0.02 -7.82 2.94 3.38 0.13 -3.44 115.31 111.64 1wyn h LEU 55 Ca 0.31 -0.73 -0.64 0.00 0.09 0.00 0.00 57.88 56.91 1wyn h LEU 55 Cb -0.12 0.01 -0.37 0.00 0.09 0.00 0.00 40.66 40.27 1wyn h LEU 55 CO -0.07 0.79 -0.81 -1.58 0.09 0.00 0.00 178.44 176.86 1wyn s GLN 56 N -2.62 2.13 -1.15 1.13 0.74 0.37 -5.05 119.66 115.21 1wyn s GLN 56 Ca -0.16 -1.02 -0.23 0.00 0.05 0.00 0.00 55.36 54.00 1wyn s GLN 56 Cb -0.02 -2.61 -0.08 0.00 1.10 0.00 0.00 33.01 31.41 1wyn s GLN 56 CO 0.59 -0.47 1.94 -1.25 -0.55 0.00 0.00 175.29 175.54 1wyn s PRO 57 N 1.29 2.49 0.00 1.67 0.04 -1.19 -2.29 135.00 137.02 1wyn s PRO 57 Ca -0.04 -1.06 0.00 0.00 0.04 0.00 0.00 61.00 59.94 1wyn s PRO 57 Cb -0.17 -5.22 0.00 0.00 0.04 0.00 0.00 34.50 29.14 1wyn s PRO 57 CO -0.07 -3.93 0.00 0.41 0.04 0.00 0.00 177.00 173.45 1wyn n GLY 58 N 5.93 0.40 0.39 0.56 0.00 -1.26 -4.18 105.19 107.03 1wyn n GLY 58 Ca 0.44 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 46.40 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 -0.84 -4.42 1.61 3.41 -0.97 -4.21 113.62 108.20 1wyn n SER 59 Ca 0.00 1.70 -0.33 0.00 -0.26 0.00 0.00 58.87 59.98 1wyn n SER 59 Cb 0.00 -0.30 -0.13 0.00 -0.26 0.00 0.00 64.21 63.52 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 -5.68 3.36 -0.02 -3.33 1.01 -1.26 -4.69 120.40 109.79 1wyn s VAL 60 Ca -0.12 -0.55 -0.26 0.00 0.00 0.00 0.00 61.98 61.04 1wyn s VAL 60 Cb 0.15 -2.43 -0.20 0.00 0.00 0.00 0.00 36.38 33.89 1wyn s VAL 60 CO 0.64 0.52 1.27 1.55 0.00 0.00 0.00 175.10 179.07 1wyn h PRO 61 N 6.61 0.00 -2.79 2.72 0.13 -1.97 -3.48 132.00 133.22 1wyn h PRO 61 Ca -0.29 -0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 64.79 1wyn h PRO 61 Cb 1.20 0.00 -0.15 0.00 0.13 0.00 0.00 31.00 32.18 1wyn h PRO 61 CO 0.58 0.49 0.07 0.21 -0.23 0.00 0.00 178.00 179.12 1wyn s LYS 62 N -4.25 1.08 -0.21 0.86 2.47 -1.26 -5.12 119.74 113.31 1wyn s LYS 62 Ca -0.16 -0.26 -0.05 0.00 -1.56 0.00 0.00 55.97 53.94 1wyn s LYS 62 Cb 0.02 0.49 -0.02 0.00 -1.46 0.00 0.00 37.83 36.86 1wyn s LYS 62 CO 0.67 -0.40 -0.01 0.42 0.16 0.00 0.00 175.35 176.19 1wyn s ILE 63 N -2.65 3.77 -0.55 5.43 1.01 -1.26 -4.99 121.20 121.96 1wyn s ILE 63 Ca -0.04 -0.37 -0.28 0.00 0.00 0.00 0.00 60.65 59.96 1wyn s ILE 63 Cb -0.00 -2.71 0.02 0.00 0.01 0.00 0.00 42.46 39.77 1wyn s ILE 63 CO -0.03 0.42 1.35 0.20 0.00 0.00 0.00 174.94 176.88 1wyn s ASN 64 N 1.20 6.24 -0.06 3.58 0.01 -1.26 -4.88 114.94 119.76 1wyn s ASN 64 Ca 0.03 0.30 -0.03 0.00 -0.71 0.00 0.00 52.86 52.45 1wyn s ASN 64 Cb -0.15 -2.55 -0.08 0.00 0.41 0.00 0.00 41.25 38.89 1wyn s ASN 64 CO 0.01 -1.62 2.68 -1.14 -1.51 0.00 0.00 177.10 175.51 1wyn n ARG 65 N 8.53 1.55 -4.85 -0.60 3.00 -1.26 -4.80 116.66 118.24 1wyn n ARG 65 Ca 0.12 -0.69 -0.33 0.00 -0.00 0.00 0.00 57.85 56.95 1wyn n ARG 65 Cb 0.49 -1.52 -0.13 0.00 0.00 0.00 0.00 32.46 31.30 1wyn n ARG 65 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.63 176.09 1wyn s SER 66 N 1.71 4.11 -0.15 6.15 1.04 -1.26 -5.01 113.70 120.30 1wyn s SER 66 Ca 0.33 -0.18 -0.00 0.00 0.48 0.00 0.00 55.95 56.57 1wyn s SER 66 Cb 0.17 -0.94 0.12 0.00 0.10 0.00 0.00 66.02 65.47 1wyn s SER 66 CO -0.02 0.34 1.77 0.80 0.98 0.00 0.00 173.24 177.11 1wyn n MET 67 N 2.38 1.38 -3.72 4.02 1.56 -1.26 -4.42 117.12 117.06 1wyn n MET 67 Ca -0.17 -0.78 -0.20 0.00 -0.27 0.00 0.00 57.70 56.28 1wyn n MET 67 Cb 0.52 -1.30 -0.01 0.00 2.15 0.00 0.00 33.22 34.58 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 -0.89 3.28 -0.07 2.12 -1.52 -1.26 -5.01 119.66 116.31 1wyn s GLN 68 Ca 0.15 -0.89 -0.22 0.00 -1.95 0.00 0.00 55.36 52.45 1wyn s GLN 68 Cb 0.12 -2.85 -0.18 0.00 -0.22 0.00 0.00 33.01 29.88 1wyn s GLN 68 CO 0.01 0.25 0.87 -2.95 -0.25 0.00 0.00 175.29 173.22 1wyn h ASN 69 N 1.03 -0.11 -0.32 5.90 -1.07 -1.98 -1.72 115.58 117.31 1wyn h ASN 69 Ca -0.49 -0.48 0.04 0.00 0.07 0.00 0.00 56.30 55.45 1wyn h ASN 69 Cb 1.24 0.03 -0.04 0.00 -2.07 0.00 0.00 38.32 37.48 1wyn h ASN 69 CO 0.57 0.51 0.08 4.11 0.07 0.00 0.00 177.43 182.77 1wyn h TRP 70 N -0.83 0.14 0.13 4.14 0.09 -1.98 0.59 115.95 118.24 1wyn h TRP 70 Ca -0.01 0.02 -0.01 0.00 0.09 0.00 0.00 58.89 58.98 1wyn h TRP 70 Cb 0.58 -0.02 0.00 0.00 0.08 0.00 0.00 29.16 29.80 1wyn h TRP 70 CO 0.12 0.04 -0.06 0.45 0.09 0.00 0.00 178.44 179.08 1wyn h HIS 71 N 0.21 -0.17 -0.98 0.12 3.86 -1.91 -1.64 115.15 114.64 1wyn h HIS 71 Ca 0.15 -0.00 0.10 0.00 -1.16 0.00 0.00 60.37 59.46 1wyn h HIS 71 Cb 0.15 0.06 -0.07 0.00 1.06 0.00 0.00 27.41 28.60 1wyn h HIS 71 CO -0.16 -0.02 0.62 1.96 0.86 0.00 0.00 177.93 181.19 1wyn h GLN 72 N -0.28 0.99 -0.24 2.45 4.20 -1.05 -1.95 115.11 119.23 1wyn h GLN 72 Ca -0.02 -0.06 -0.02 0.00 0.06 0.00 0.00 58.65 58.61 1wyn h GLN 72 Cb 0.22 -0.22 -0.01 0.00 0.30 0.00 0.00 27.48 27.77 1wyn h GLN 72 CO 0.03 0.66 0.08 -0.07 -0.67 0.00 0.00 178.83 178.85 1wyn h LEU 73 N 1.02 0.35 -1.10 1.46 -0.00 -0.62 -2.82 115.31 113.60 1wyn h LEU 73 Ca 0.46 -0.20 0.17 0.00 -0.00 0.00 0.00 57.88 58.30 1wyn h LEU 73 Cb 0.38 -0.09 -0.09 0.00 -0.00 0.00 0.00 40.66 40.86 1wyn h LEU 73 CO -0.22 0.46 0.61 -0.08 -0.00 0.00 0.00 178.44 179.22 1wyn h GLU 74 N 0.22 0.76 -0.04 1.13 4.57 -0.53 -1.72 114.58 118.97 1wyn h GLU 74 Ca 0.08 -0.05 0.04 0.00 -1.18 0.00 0.00 59.36 58.25 1wyn h GLU 74 Cb 0.23 -0.17 -0.05 0.00 -0.16 0.00 0.00 28.75 28.60 1wyn h GLU 74 CO -0.00 0.50 -0.30 -0.91 -1.18 0.00 0.00 179.01 177.12 1wyn h ASN 75 N 0.78 -0.90 -0.12 1.04 2.35 -1.20 -0.63 115.58 116.90 1wyn h ASN 75 Ca 0.53 0.12 -0.00 0.00 -0.55 0.00 0.00 56.30 56.40 1wyn h ASN 75 Cb 0.79 0.37 -0.01 0.00 0.05 0.00 0.00 38.32 39.53 1wyn h ASN 75 CO -0.30 -0.36 0.07 -0.07 -1.65 0.00 0.00 177.43 175.12 1wyn h LEU 76 N -0.42 0.14 -1.09 1.61 3.38 -1.37 -1.70 115.31 115.85 1wyn h LEU 76 Ca 0.07 -0.05 0.21 0.00 0.09 0.00 0.00 57.88 58.21 1wyn h LEU 76 Cb 0.53 -0.04 -0.11 0.00 0.09 0.00 0.00 40.66 41.14 1wyn h LEU 76 CO -0.28 0.15 0.61 0.28 0.09 0.00 0.00 178.44 179.29 1wyn h SER 77 N 0.12 0.69 0.06 -0.43 0.02 -0.95 0.20 113.55 113.25 1wyn h SER 77 Ca 0.04 0.10 -0.00 0.00 -0.84 0.00 0.00 61.79 61.09 1wyn h SER 77 Cb 0.03 -0.02 0.00 0.00 0.14 0.00 0.00 62.40 62.56 1wyn h SER 77 CO -0.01 0.20 -0.03 0.78 -1.14 0.00 0.00 176.83 176.64 1wyn h ASN 78 N 0.65 -0.07 -0.40 3.07 2.35 -0.68 -2.85 115.58 117.66 1wyn h ASN 78 Ca 0.59 -0.45 0.05 0.00 -0.55 0.00 0.00 56.30 55.94 1wyn h ASN 78 Cb 1.07 0.02 -0.05 0.00 0.05 0.00 0.00 38.32 39.41 1wyn h ASN 78 CO -0.38 0.44 0.13 0.15 -1.65 0.00 0.00 177.43 176.12 1wyn h PHE 79 N -0.60 0.22 0.25 1.19 3.57 -0.37 -2.26 116.94 118.95 1wyn h PHE 79 Ca -0.01 0.02 0.01 0.00 3.53 0.00 0.00 57.97 61.52 1wyn h PHE 79 Cb 0.52 -0.04 -0.04 0.00 2.79 0.00 0.00 35.95 39.18 1wyn h PHE 79 CO 0.09 0.08 -0.50 0.82 -2.23 0.00 0.00 178.31 176.57 1wyn h ILE 80 N 0.28 0.04 -0.95 1.41 2.04 -0.71 -0.66 117.51 118.95 1wyn h ILE 80 Ca 0.19 0.00 0.27 0.00 1.00 0.00 0.00 64.86 66.31 1wyn h ILE 80 Cb 0.18 0.04 -0.05 0.00 -0.74 0.00 0.00 36.82 36.25 1wyn h ILE 80 CO -0.20 0.00 0.67 0.11 0.00 0.00 0.00 178.15 178.73 1wyn h LYS 81 N -0.82 0.08 0.00 2.37 1.79 -1.30 -0.19 116.57 118.50 1wyn h LYS 81 Ca -0.02 -0.00 -0.00 0.00 -2.18 0.00 0.00 60.65 58.45 1wyn h LYS 81 Cb 0.78 -0.02 0.00 0.00 -1.58 0.00 0.00 32.23 31.42 1wyn h LYS 81 CO -0.21 0.05 -0.00 0.00 -1.08 0.00 0.00 179.45 178.22 1wyn h ALA 82 N 1.55 -0.00 -0.39 3.86 0.00 -0.53 -3.10 119.26 120.64 1wyn h ALA 82 Ca 0.46 -0.07 0.08 0.00 0.00 0.00 0.00 54.91 55.39 1wyn h ALA 82 Cb 1.70 0.00 -0.09 0.00 0.00 0.00 0.00 17.79 19.41 1wyn h ALA 82 CO -0.05 -0.43 -0.24 0.52 0.00 0.00 0.00 179.25 179.04 1wyn h MET 83 N -0.14 -0.17 -0.89 0.00 2.86 -0.59 -0.28 114.93 115.72 1wyn h MET 83 Ca -0.00 0.01 0.24 0.00 -2.06 0.00 0.00 59.70 57.89 1wyn h MET 83 Cb 0.14 0.04 -0.14 0.00 0.06 0.00 0.00 31.60 31.69 1wyn h MET 83 CO 0.00 -0.11 0.27 0.28 1.06 0.00 0.00 176.91 178.40 1wyn h VAL 84 N -0.18 0.31 -0.52 -2.22 2.07 -1.46 0.34 116.25 114.60 1wyn h VAL 84 Ca 0.19 -0.07 -0.13 0.00 0.82 0.00 0.00 66.70 67.51 1wyn h VAL 84 Cb 0.47 0.07 -0.02 0.00 -1.52 0.00 0.00 31.29 30.30 1wyn h VAL 84 CO -0.50 0.04 -0.17 -1.28 0.02 0.00 0.00 177.57 175.68 1wyn h SER 85 N 0.22 1.04 -0.46 0.57 0.87 -1.05 -2.81 113.55 111.94 1wyn h SER 85 Ca 0.57 -0.38 0.11 0.00 -1.23 0.00 0.00 61.79 60.86 1wyn h SER 85 Cb 1.17 -0.29 -0.02 0.00 -0.44 0.00 0.00 62.40 62.82 1wyn h SER 85 CO -0.65 1.18 0.32 0.22 -0.53 0.00 0.00 176.83 177.37 1wyn h TYR 86 N 0.89 0.15 0.00 2.24 3.20 0.66 -3.45 116.97 120.66 1wyn h TYR 86 Ca 0.13 0.00 0.00 0.00 3.14 0.00 0.00 58.73 62.00 1wyn h TYR 86 Cb 0.75 -0.05 0.00 0.00 1.54 0.00 0.00 36.73 38.97 1wyn h TYR 86 CO 0.05 0.07 0.00 0.41 -1.64 0.00 0.00 178.16 177.05 1wyn n GLY 87 N -1.58 2.00 3.92 1.82 0.00 -0.80 -4.81 105.19 105.74 1wyn n GLY 87 Ca 0.07 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.81 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 -0.24 1.47 0.53 1.61 -1.94 -1.15 -3.96 119.30 115.62 1wyn s MET 88 Ca 0.00 -0.24 -0.08 0.00 -1.71 0.00 0.00 55.69 53.66 1wyn s MET 88 Cb 0.00 -1.98 -0.04 0.00 2.01 0.00 0.00 34.83 34.83 1wyn s MET 88 CO 0.00 -1.84 0.87 -0.80 -0.01 0.00 0.00 175.02 173.24 1wyn s ASN 89 N -4.70 6.27 0.00 3.03 -0.87 -1.20 -4.84 114.94 112.63 1wyn s ASN 89 Ca 0.67 1.12 0.15 0.00 -1.57 0.00 0.00 52.86 53.23 1wyn s ASN 89 Cb -0.08 -2.33 0.79 0.00 -0.02 0.00 0.00 41.25 39.60 1wyn s ASN 89 CO 0.49 -0.67 1.39 -0.81 -2.57 0.00 0.00 177.10 174.93 1wyn n PRO 90 N -2.37 0.27 -0.01 -0.60 -0.04 -1.26 -3.01 135.00 127.98 1wyn n PRO 90 Ca 0.03 0.11 -0.01 0.00 -0.04 0.00 0.00 63.50 63.59 1wyn n PRO 90 Cb 0.55 -1.50 -0.01 0.00 -0.04 0.00 0.00 33.50 32.50 1wyn n PRO 90 CO 0.00 0.00 0.00 1.55 -0.04 0.00 0.00 175.50 177.01 1wyn n VAL 91 N -1.22 0.08 0.02 0.52 3.14 -1.26 -4.60 118.33 115.01 1wyn n VAL 91 Ca 0.08 -0.05 0.01 0.00 -2.96 0.00 0.00 64.34 61.43 1wyn n VAL 91 Cb 0.10 -0.84 0.07 0.00 -1.06 0.00 0.00 33.84 32.12 1wyn n VAL 91 CO 0.00 0.00 0.00 0.47 -6.46 0.00 0.00 176.83 170.84 1wyn n ASP 92 N -2.20 0.07 -4.11 6.55 9.92 -1.16 -4.63 116.55 120.99 1wyn n ASP 92 Ca -0.02 0.51 -0.27 0.00 -0.53 0.00 0.00 54.79 54.48 1wyn n ASP 92 Cb 0.54 -0.52 0.18 0.00 -0.64 0.00 0.00 41.12 40.68 1wyn n ASP 92 CO 0.00 0.00 0.00 0.18 0.13 0.00 0.00 177.20 177.51 1wyn n LEU 93 N -1.57 0.00 -3.75 0.64 4.77 -1.24 -3.27 117.00 112.58 1wyn n LEU 93 Ca -0.00 -1.67 -0.13 0.00 -0.03 0.00 0.00 56.01 54.18 1wyn n LEU 93 Cb 0.03 -0.89 -0.10 0.00 -2.33 0.00 0.00 43.42 40.13 1wyn n LEU 93 CO 0.01 -1.29 0.02 0.72 -1.33 0.00 0.00 177.39 175.52 1wyn s PHE 94 N -3.62 -0.34 0.84 -1.77 -0.71 -1.26 -4.78 117.98 106.34 1wyn s PHE 94 Ca 0.72 0.79 -0.14 0.00 -1.04 0.00 0.00 56.93 57.26 1wyn s PHE 94 Cb -0.03 0.13 0.22 0.00 -1.21 0.00 0.00 43.02 42.13 1wyn s PHE 94 CO 0.50 -0.23 0.58 0.39 -1.34 0.00 0.00 175.22 175.12 1wyn n GLU 95 N 2.51 -3.22 0.01 1.99 -0.58 -1.26 -4.86 120.64 115.23 1wyn n GLU 95 Ca -0.15 -0.96 0.11 0.00 -0.42 0.00 0.00 57.16 55.74 1wyn n GLU 95 Cb 0.57 -1.10 -0.13 0.00 -0.57 0.00 0.00 31.44 30.21 1wyn n GLU 95 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1wyn n ALA 96 N -4.51 2.75 0.05 0.62 0.00 -1.26 -4.35 120.51 113.81 1wyn n ALA 96 Ca -0.12 -0.46 -0.19 0.00 0.00 0.00 0.00 53.44 52.67 1wyn n ALA 96 Cb 0.36 -0.83 -0.14 0.00 0.00 0.00 0.00 19.45 18.84 1wyn n ALA 96 CO 0.00 0.00 0.00 -2.95 0.00 0.00 0.00 177.50 174.55 1wyn h ASN 97 N 0.00 0.44 -0.93 0.00 7.08 -1.96 -3.13 115.58 117.09 1wyn h ASN 97 Ca 0.00 -0.68 0.24 0.00 -3.08 0.00 0.00 56.30 52.78 1wyn h ASN 97 Cb 1.00 -0.14 -0.17 0.00 -2.08 0.00 0.00 38.32 36.93 1wyn h ASN 97 CO 0.00 1.58 0.01 -2.24 -2.08 0.00 0.00 177.43 174.70 1wyn h ASP 98 N 0.08 -0.46 0.04 6.14 3.04 -1.84 0.76 116.42 124.18 1wyn h ASP 98 Ca -0.30 0.26 -0.07 0.00 -3.24 0.00 0.00 57.03 53.68 1wyn h ASP 98 Cb 2.05 0.45 0.00 0.00 -1.04 0.00 0.00 39.33 40.79 1wyn h ASP 98 CO 0.15 -0.30 -0.31 0.25 -2.04 0.00 0.00 179.24 176.99 1wyn h LEU 99 N 0.04 0.14 0.23 0.15 5.85 -1.71 0.81 115.31 120.82 1wyn h LEU 99 Ca 0.54 -0.96 -0.01 0.00 0.84 0.00 0.00 57.88 58.29 1wyn h LEU 99 Cb 1.06 -0.04 -0.01 0.00 0.37 0.00 0.00 40.66 42.03 1wyn h LEU 99 CO -0.85 1.14 -0.25 0.15 -0.34 0.00 0.00 178.44 178.29 1wyn h PHE 100 N -0.81 -0.71 -0.58 1.25 3.57 -1.14 -2.60 116.94 115.91 1wyn h PHE 100 Ca -0.06 0.01 -0.28 0.00 3.53 0.00 0.00 57.97 61.16 1wyn h PHE 100 Cb 1.21 0.28 -0.17 0.00 2.79 0.00 0.00 35.95 40.06 1wyn h PHE 100 CO 0.25 -0.33 0.36 0.39 -2.23 0.00 0.00 178.31 176.74 1wyn n GLU 101 N -3.88 1.95 -1.78 1.11 1.02 0.25 -4.85 120.64 114.46 1wyn n GLU 101 Ca -0.06 -1.85 -0.03 0.00 -0.02 0.00 0.00 57.16 55.20 1wyn n GLU 101 Cb 0.23 -1.75 -0.01 0.00 -0.02 0.00 0.00 31.44 29.89 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 -0.41 -1.23 0.21 1.62 3.41 -0.70 -4.69 113.62 111.82 1wyn n SER 102 Ca 0.35 0.25 0.12 0.00 -0.26 0.00 0.00 58.87 59.33 1wyn n SER 102 Cb 1.18 -1.33 0.66 0.00 -0.26 0.00 0.00 64.21 64.46 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 0.55 -3.40 103.07 99.33 1wyn h GLY 103 Ca -0.07 0.00 0.24 0.00 0.00 0.00 0.00 47.33 47.50 1wyn h GLY 103 CO 0.09 0.00 0.25 0.21 0.00 0.00 0.00 176.54 177.08 1wyn s ASN 104 N -4.10 -0.36 -0.01 0.19 3.84 -0.28 -4.84 114.94 109.38 1wyn s ASN 104 Ca -0.03 0.32 0.21 0.00 0.21 0.00 0.00 52.86 53.58 1wyn s ASN 104 Cb 0.07 1.34 -0.25 0.00 -0.55 0.00 0.00 41.25 41.86 1wyn s ASN 104 CO 0.22 -0.07 0.82 0.23 -2.79 0.00 0.00 177.10 175.52 1wyn n MET 105 N 5.21 0.12 0.03 0.43 2.81 -1.26 -4.03 117.12 120.43 1wyn n MET 105 Ca -0.08 -0.04 -0.15 0.00 -1.81 0.00 0.00 57.70 55.63 1wyn n MET 105 Cb 0.54 -1.50 -0.14 0.00 -0.71 0.00 0.00 33.22 31.41 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 1.04 0.00 2.03 1.35 -1.96 -2.99 112.91 112.38 1wyn h THR 106 Ca 0.00 -2.74 -0.09 0.00 -0.55 0.00 0.00 66.41 63.03 1wyn h THR 106 Cb 0.59 2.65 -0.01 0.00 -1.73 0.00 0.00 68.15 69.64 1wyn h THR 106 CO 0.00 0.76 -0.44 -0.61 -0.25 0.00 0.00 175.52 174.99 1wyn h GLN 107 N 0.05 0.00 0.00 4.72 5.75 -1.92 -2.60 115.11 121.10 1wyn h GLN 107 Ca -0.27 0.00 -0.19 0.00 -0.15 0.00 0.00 58.65 58.05 1wyn h GLN 107 Cb 2.00 0.00 -0.03 0.00 1.07 0.00 0.00 27.48 30.52 1wyn h GLN 107 CO 0.13 0.44 -1.12 0.28 -2.65 0.00 0.00 178.83 175.90 1wyn h VAL 108 N 0.00 0.96 0.05 2.39 2.07 -1.72 -3.19 116.25 116.81 1wyn h VAL 108 Ca -0.00 -2.54 -0.00 0.00 0.82 0.00 0.00 66.70 64.97 1wyn h VAL 108 Cb 0.95 2.41 0.00 0.00 -1.52 0.00 0.00 31.29 33.14 1wyn h VAL 108 CO 0.06 0.55 -0.03 -0.61 0.02 0.00 0.00 177.57 177.56 1wyn h GLN 109 N 0.00 -0.07 -0.92 1.57 4.15 -1.40 -3.25 115.11 115.18 1wyn h GLN 109 Ca -0.11 0.00 0.04 0.00 0.77 0.00 0.00 58.65 59.36 1wyn h GLN 109 Cb 1.66 0.02 -0.06 0.00 0.21 0.00 0.00 27.48 29.31 1wyn h GLN 109 CO 0.08 0.49 0.60 -0.39 -1.93 0.00 0.00 178.83 177.67 1wyn h VAL 110 N -0.70 1.14 -0.65 2.39 -1.51 -1.62 -1.96 116.25 113.35 1wyn h VAL 110 Ca -0.01 -0.39 0.14 0.00 -1.23 0.00 0.00 66.70 65.21 1wyn h VAL 110 Cb 0.59 -0.11 -0.11 0.00 -2.13 0.00 0.00 31.29 29.53 1wyn h VAL 110 CO 0.01 0.21 0.00 -1.28 -1.23 0.00 0.00 177.57 175.28 1wyn h SER 111 N 1.15 -0.29 -0.23 4.19 0.87 -1.54 0.36 113.55 118.07 1wyn h SER 111 Ca 0.37 0.16 -0.12 0.00 -1.23 0.00 0.00 61.79 60.98 1wyn h SER 111 Cb 0.02 0.29 -0.00 0.00 -0.44 0.00 0.00 62.40 62.27 1wyn h SER 111 CO -0.13 -0.13 -0.31 -0.07 -0.53 0.00 0.00 176.83 175.66 1wyn h LEU 112 N 0.12 0.67 -2.20 2.23 3.38 -1.48 0.24 115.31 118.26 1wyn h LEU 112 Ca 0.34 -0.51 -0.00 0.00 0.09 0.00 0.00 57.88 57.80 1wyn h LEU 112 Cb 0.57 -0.19 -0.00 0.00 0.09 0.00 0.00 40.66 41.13 1wyn h LEU 112 CO -0.56 1.05 -0.01 -0.07 0.09 0.00 0.00 178.44 178.94 1wyn h LEU 113 N 0.31 0.00 0.12 1.67 3.38 -0.46 0.88 115.31 121.21 1wyn h LEU 113 Ca 0.03 0.00 -0.32 0.00 0.09 0.00 0.00 57.88 57.68 1wyn h LEU 113 Cb 0.89 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.63 1wyn h LEU 113 CO 0.07 0.01 -1.67 0.00 0.09 0.00 0.00 178.44 176.94 1wyn h ALA 114 N 1.99 0.27 -0.19 1.53 0.00 -0.19 -3.11 119.26 119.56 1wyn h ALA 114 Ca -0.00 -1.22 -0.06 0.00 0.00 0.00 0.00 54.91 53.63 1wyn h ALA 114 Cb 0.02 0.58 -0.01 0.00 0.00 0.00 0.00 17.79 18.38 1wyn h ALA 114 CO 0.00 1.02 -0.13 1.25 0.00 0.00 0.00 179.25 181.40 1wyn h LEU 115 N -0.16 0.29 0.08 0.00 5.85 -0.56 -2.90 115.31 117.90 1wyn h LEU 115 Ca -0.36 -0.06 -0.00 0.00 0.84 0.00 0.00 57.88 58.29 1wyn h LEU 115 Cb 1.88 -0.08 0.00 0.00 0.37 0.00 0.00 40.66 42.83 1wyn h LEU 115 CO 0.06 0.46 -0.04 0.00 -0.34 0.00 0.00 178.44 178.58 1wyn h ALA 116 N 1.58 -0.10 0.00 1.25 0.00 -0.98 0.15 119.26 121.16 1wyn h ALA 116 Ca 0.06 -0.28 0.00 0.00 0.00 0.00 0.00 54.91 54.69 1wyn h ALA 116 Cb 0.41 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.24 1wyn h ALA 116 CO 0.02 -0.22 0.28 0.78 0.00 0.00 0.00 179.25 180.12 1wyn h GLY 117 N -0.78 0.00 0.00 0.00 0.00 -1.48 0.45 103.07 101.26 1wyn h GLY 117 Ca -0.01 0.00 -0.32 0.00 0.00 0.00 0.00 47.33 47.00 1wyn h GLY 117 CO 0.02 0.00 -2.20 1.17 0.00 0.00 0.00 176.54 175.53 1wyn n LYS 118 N -2.63 0.82 0.20 4.80 4.81 -1.10 -4.43 118.16 120.63 1wyn n LYS 118 Ca -0.02 0.07 0.05 0.00 -0.87 0.00 0.00 58.31 57.54 1wyn n LYS 118 Cb 0.32 -1.43 0.44 0.00 0.02 0.00 0.00 35.03 34.38 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 0.33 1.35 -0.70 3.14 0.00 0.68 -2.73 119.26 121.34 1wyn h ALA 119 Ca -0.47 -0.28 0.20 0.00 0.00 0.00 0.00 54.91 54.36 1wyn h ALA 119 Cb 1.86 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 19.57 1wyn h ALA 119 CO -0.04 0.38 0.51 1.57 0.00 0.00 0.00 179.25 181.68 1wyn h LYS 120 N 0.00 0.00 -1.13 0.00 2.10 -1.18 -0.93 116.57 115.42 1wyn h LYS 120 Ca -0.00 0.00 0.33 0.00 -2.00 0.00 0.00 60.65 58.98 1wyn h LYS 120 Cb 0.59 0.00 -0.05 0.00 -0.90 0.00 0.00 32.23 31.88 1wyn h LYS 120 CO 0.04 0.00 1.03 0.00 -2.00 0.00 0.00 179.45 178.52 1wyn h THR 121 N 0.00 0.16 -0.08 0.07 1.03 -1.75 0.44 112.91 112.78 1wyn h THR 121 Ca 0.33 0.00 -0.00 0.00 -0.01 0.00 0.00 66.41 66.73 1wyn h THR 121 Cb 1.34 0.22 -0.00 0.00 -1.07 0.00 0.00 68.15 68.64 1wyn h THR 121 CO -0.00 0.00 0.04 0.11 -0.01 0.00 0.00 175.52 175.66 1wyn h LYS 122 N 0.00 0.11 -1.78 0.00 6.56 -1.41 -3.35 116.57 116.69 1wyn h LYS 122 Ca 0.54 -0.02 -0.48 0.00 -1.06 0.00 0.00 60.65 59.64 1wyn h LYS 122 Cb 2.59 -0.02 -0.40 0.00 -0.57 0.00 0.00 32.23 33.82 1wyn h LYS 122 CO -0.01 0.18 -1.09 0.41 -2.06 0.00 0.00 179.45 176.89 1wyn n GLY 123 N -0.82 3.58 2.70 3.86 0.00 0.13 -5.10 105.19 109.55 1wyn n GLY 123 Ca -0.06 -1.83 -0.46 0.00 0.00 0.00 0.00 46.02 43.67 1wyn n GLY 123 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1wyn n LEU 124 N 0.07 0.02 -0.02 0.99 4.77 -0.13 -4.87 117.00 117.83 1wyn n LEU 124 Ca 0.23 0.89 -0.04 0.00 -0.03 0.00 0.00 56.01 57.06 1wyn n LEU 124 Cb 0.66 -0.71 -0.02 0.00 -2.33 0.00 0.00 43.42 41.02 1wyn n LEU 124 CO 0.25 -1.45 -0.64 0.00 -1.33 0.00 0.00 177.39 174.22 1wyn n GLN 125 N 1.21 0.09 -4.09 3.23 6.02 -1.26 -5.09 117.38 117.49 1wyn n GLN 125 Ca 0.16 0.04 -0.11 0.00 -0.01 0.00 0.00 57.00 57.07 1wyn n GLN 125 Cb 0.06 -0.71 -0.11 0.00 1.02 0.00 0.00 30.24 30.51 1wyn n GLN 125 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 177.06 176.50 1wyn s SER 126 N -5.24 0.82 1.02 1.08 0.15 -1.26 -5.15 113.70 105.12 1wyn s SER 126 Ca -0.06 -0.76 -0.12 0.00 0.70 0.00 0.00 55.95 55.72 1wyn s SER 126 Cb 0.02 0.09 0.21 0.00 -1.71 0.00 0.00 66.02 64.62 1wyn s SER 126 CO 0.08 -0.36 1.08 -0.83 1.20 0.00 0.00 173.24 174.41 1wyn s GLY 127 N -2.24 1.61 0.02 9.45 0.00 -1.26 -5.05 107.32 109.85 1wyn s GLY 127 Ca -0.01 0.13 0.04 0.00 0.00 0.00 0.00 44.72 44.88 1wyn s GLY 127 CO -0.03 0.70 -0.13 0.54 0.00 0.00 0.00 173.10 174.19 1wyn s VAL 128 N -2.62 1.00 1.02 1.40 0.11 -1.26 -5.14 120.40 114.91 1wyn s VAL 128 Ca 0.67 -0.81 -0.22 0.00 -2.93 0.00 0.00 61.98 58.69 1wyn s VAL 128 Cb -0.23 -0.89 -0.04 0.00 -1.53 0.00 0.00 36.38 33.69 1wyn s VAL 128 CO 0.61 0.08 -0.72 -0.67 -3.33 0.00 0.00 175.10 171.07 1wyn n ASP 129 N 2.22 -2.70 0.19 3.54 2.03 -1.26 -4.84 116.55 115.73 1wyn n ASP 129 Ca -0.17 -0.09 -0.10 0.00 0.52 0.00 0.00 54.79 54.96 1wyn n ASP 129 Cb 0.55 -0.70 -0.05 0.00 -0.72 0.00 0.00 41.12 40.20 1wyn n ASP 129 CO 0.00 0.00 0.00 0.40 -1.92 0.00 0.00 177.20 175.68 1wyn h ILE 130 N -1.62 0.00 -3.59 5.18 2.04 -1.94 -3.37 117.51 114.21 1wyn h ILE 130 Ca -0.42 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.45 1wyn h ILE 130 Cb 1.26 0.00 -0.03 0.00 -0.74 0.00 0.00 36.82 37.31 1wyn h ILE 130 CO 0.26 0.00 -0.44 0.61 0.00 0.00 0.00 178.15 178.58 1wyn n GLY 131 N -1.31 -3.57 3.27 5.37 0.00 -1.21 -3.57 105.19 104.17 1wyn n GLY 131 Ca -0.07 0.21 -0.44 0.00 0.00 0.00 0.00 46.02 45.72 1wyn n GLY 131 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1wyn n VAL 132 N 0.44 4.48 -3.54 1.61 0.24 -1.26 -4.57 118.33 115.73 1wyn n VAL 132 Ca -0.10 -4.98 -0.16 0.00 -2.04 0.00 0.00 64.34 57.06 1wyn n VAL 132 Cb 0.16 -2.43 -0.06 0.00 -1.47 0.00 0.00 33.84 30.04 1wyn n VAL 132 CO 0.00 0.00 0.00 -0.75 -2.14 0.00 0.00 176.83 173.94 1wyn s LYS 133 N 0.09 0.96 -0.60 7.34 2.20 -1.26 -5.05 119.74 123.43 1wyn s LYS 133 Ca 0.38 0.32 -0.02 0.00 -0.36 0.00 0.00 55.97 56.28 1wyn s LYS 133 Cb -0.01 0.46 0.36 0.00 -1.51 0.00 0.00 37.83 37.12 1wyn s LYS 133 CO -0.01 -0.28 2.08 0.66 -0.36 0.00 0.00 175.35 177.44 1wyn n TYR 134 N 1.07 2.73 -0.34 4.03 4.01 -1.26 -4.71 117.16 122.69 1wyn n TYR 134 Ca -0.17 -2.64 0.30 0.00 -0.16 0.00 0.00 57.90 55.23 1wyn n TYR 134 Cb 0.57 -1.31 0.57 0.00 -0.31 0.00 0.00 39.34 38.86 1wyn n TYR 134 CO 0.00 0.00 0.00 1.03 -0.46 0.00 0.00 176.86 177.43 1wyn h SER 135 N 2.07 0.36 -3.52 7.72 0.87 -1.96 -3.33 113.55 115.77 1wyn h SER 135 Ca 0.52 0.23 -0.65 0.00 -1.23 0.00 0.00 61.79 60.66 1wyn h SER 135 Cb 0.72 0.22 -0.24 0.00 -0.44 0.00 0.00 62.40 62.66 1wyn h SER 135 CO 1.35 -0.34 -0.66 -1.83 -0.53 0.00 0.00 176.83 174.82 1wyn s GLU 136 N -5.53 3.56 -0.13 2.24 1.03 -1.26 -3.24 118.70 115.37 1wyn s GLU 136 Ca -0.09 -0.53 -0.10 0.00 0.03 0.00 0.00 54.97 54.28 1wyn s GLU 136 Cb 0.33 -3.17 -0.07 0.00 -0.80 0.00 0.00 34.13 30.42 1wyn s GLU 136 CO 0.79 -0.15 0.12 0.87 -1.33 0.00 0.00 175.26 175.56 1wyn h LYS 137 N 8.03 0.00 -1.33 -4.83 1.57 -1.69 -3.49 116.57 114.82 1wyn h LYS 137 Ca -0.39 0.00 0.14 0.00 -1.87 0.00 0.00 60.65 58.54 1wyn h LYS 137 Cb 1.17 0.00 -0.28 0.00 0.08 0.00 0.00 32.23 33.20 1wyn h LYS 137 CO 0.59 0.28 0.45 -1.14 -0.57 0.00 0.00 179.45 179.06 1wyn s GLN 138 N -1.93 0.29 0.21 3.15 2.00 -1.26 -5.18 119.66 116.94 1wyn s GLN 138 Ca -0.10 0.53 0.09 0.00 -2.00 0.00 0.00 55.36 53.88 1wyn s GLN 138 Cb 0.01 0.10 -0.05 0.00 0.80 0.00 0.00 33.01 33.87 1wyn s GLN 138 CO 0.24 -0.07 -0.17 -2.00 -0.50 0.00 0.00 175.29 172.79 1wyn s GLU 139 N 1.42 1.41 0.06 1.67 2.12 -1.26 -4.82 118.70 119.30 1wyn s GLU 139 Ca -0.08 -1.58 0.01 0.00 0.36 0.00 0.00 54.97 53.68 1wyn s GLU 139 Cb -0.03 -1.38 -0.03 0.00 0.26 0.00 0.00 34.13 32.94 1wyn s GLU 139 CO -0.14 0.26 -0.05 -0.98 -0.54 0.00 0.00 175.26 173.80 1wyn s ARG 140 N -3.31 0.60 0.05 4.30 1.70 -1.26 -5.08 118.95 115.94 1wyn s ARG 140 Ca 0.22 -1.02 -0.35 0.00 -0.47 0.00 0.00 55.73 54.12 1wyn s ARG 140 Cb -0.04 -0.06 -0.19 0.00 -0.57 0.00 0.00 34.95 34.09 1wyn s ARG 140 CO 0.09 -0.03 1.48 1.03 -1.08 0.00 0.00 175.30 176.79 1wyn h SER 141 N 3.73 -1.06 -3.56 -2.89 0.87 -2.02 -3.49 113.55 105.13 1wyn h SER 141 Ca -0.34 0.04 0.30 0.00 -1.23 0.00 0.00 61.79 60.55 1wyn h SER 141 Cb 1.18 0.27 -0.12 0.00 -0.44 0.00 0.00 62.40 63.29 1wyn h SER 141 CO 0.54 -0.74 -0.74 0.61 -0.53 0.00 0.00 176.83 175.97 1wyn n GLY 142 N -1.52 -2.53 3.67 5.77 0.00 -1.26 -4.73 105.19 104.60 1wyn n GLY 142 Ca -0.16 -1.17 -0.42 0.00 0.00 0.00 0.00 46.02 44.27 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 -3.04 4.22 0.23 1.61 0.04 -1.26 -5.02 135.00 131.79 1wyn s PRO 143 Ca 0.00 2.02 0.05 0.00 0.04 0.00 0.00 61.00 63.11 1wyn s PRO 143 Cb 0.00 -3.80 -0.03 0.00 0.04 0.00 0.00 34.50 30.71 1wyn s PRO 143 CO 0.00 -0.73 0.32 -1.54 0.04 0.00 0.00 177.00 175.09 1wyn s SER 144 N 2.58 6.18 -0.10 6.66 1.04 -1.26 -5.08 113.70 123.72 1wyn s SER 144 Ca 0.67 0.03 -0.27 0.00 0.48 0.00 0.00 55.95 56.85 1wyn s SER 144 Cb -0.30 -1.79 -0.02 0.00 0.10 0.00 0.00 66.02 64.01 1wyn s SER 144 CO 0.25 -0.05 0.88 -0.55 0.98 0.00 0.00 173.24 174.76 1wyn s SER 145 N -3.84 7.11 0.00 7.02 0.15 -1.26 -5.16 113.70 117.72 1wyn s SER 145 Ca 0.34 1.36 0.00 0.00 0.70 0.00 0.00 55.95 58.35 1wyn s SER 145 Cb -0.09 -2.49 0.00 0.00 -1.71 0.00 0.00 66.02 61.73 1wyn s SER 145 CO 0.28 -0.33 0.00 0.61 1.20 0.00 0.00 173.24 175.00