#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 -4.45 -4.63 1.61 2.88 -1.26 -4.77 113.62 103.00 1wyn n SER 2 Ca 0.00 -0.43 -0.37 0.00 -1.33 0.00 0.00 58.87 56.75 1wyn n SER 2 Cb 0.00 -3.97 -0.10 0.00 -0.75 0.00 0.00 64.21 59.39 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 -3.46 5.98 0.00 -3.46 1.04 -1.26 -4.81 113.70 107.73 1wyn s SER 3 Ca 0.33 0.06 0.00 0.00 0.48 0.00 0.00 55.95 56.82 1wyn s SER 3 Cb -0.14 -2.08 0.00 0.00 0.10 0.00 0.00 66.02 63.89 1wyn s SER 3 CO 0.55 0.05 0.00 0.61 0.98 0.00 0.00 173.24 175.43 1wyn n GLY 4 N 4.41 -1.73 3.11 7.32 0.00 -1.26 -4.81 105.19 112.23 1wyn n GLY 4 Ca -0.15 0.65 0.02 0.00 0.00 0.00 0.00 46.02 46.54 1wyn n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1wyn s SER 5 N 0.00 -1.14 0.10 1.61 1.04 -1.26 -4.21 113.70 109.84 1wyn s SER 5 Ca 0.00 0.68 -0.17 0.00 0.48 0.00 0.00 55.95 56.94 1wyn s SER 5 Cb 0.00 1.98 0.04 0.00 0.10 0.00 0.00 66.02 68.14 1wyn s SER 5 CO 0.00 -0.27 0.42 -0.44 0.98 0.00 0.00 173.24 173.92 1wyn s SER 6 N 2.80 -0.27 -1.18 7.02 0.01 -1.26 -5.03 113.70 115.80 1wyn s SER 6 Ca 0.18 -0.20 -0.08 0.00 1.31 0.00 0.00 55.95 57.17 1wyn s SER 6 Cb -0.14 0.47 0.24 0.00 0.21 0.00 0.00 66.02 66.79 1wyn s SER 6 CO -0.21 -0.80 1.58 0.61 0.41 0.00 0.00 173.24 174.83 1wyn n GLY 7 N -0.01 4.68 3.73 3.44 0.00 -1.26 -4.92 105.19 110.84 1wyn n GLY 7 Ca -0.17 -2.36 -0.37 0.00 0.00 0.00 0.00 46.02 43.12 1wyn n GLY 7 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1wyn s ASN 8 N 0.16 6.60 0.09 1.61 0.01 -1.26 -5.05 114.94 117.09 1wyn s ASN 8 Ca 0.36 0.71 -0.21 0.00 -0.71 0.00 0.00 52.86 53.00 1wyn s ASN 8 Cb 0.04 -2.25 0.05 0.00 0.41 0.00 0.00 41.25 39.50 1wyn s ASN 8 CO 0.03 0.04 0.52 -0.60 -1.51 0.00 0.00 177.10 175.58 1wyn s ARG 9 N 0.54 1.10 0.98 -0.60 3.52 -1.26 -5.17 118.95 118.07 1wyn s ARG 9 Ca 0.23 -0.38 -0.11 0.00 -0.13 0.00 0.00 55.73 55.33 1wyn s ARG 9 Cb -0.14 0.50 0.18 0.00 -1.56 0.00 0.00 34.95 33.93 1wyn s ARG 9 CO 0.08 -0.43 1.09 -0.48 -0.81 0.00 0.00 175.30 174.75 1wyn s LEU 10 N -2.33 2.00 -0.25 -0.88 0.05 -1.26 -4.91 118.68 111.10 1wyn s LEU 10 Ca -0.02 1.72 -0.29 0.00 0.05 0.00 0.00 54.13 55.59 1wyn s LEU 10 Cb -0.00 -3.97 -0.02 0.00 -2.05 0.00 0.00 46.19 40.15 1wyn s LEU 10 CO -0.06 -3.27 1.51 -0.76 -0.55 0.00 0.00 176.35 173.22 1wyn s LEU 11 N -6.65 3.88 0.07 1.48 1.43 -1.26 -4.93 118.68 112.70 1wyn s LEU 11 Ca 0.66 1.47 -0.27 0.00 -1.03 0.00 0.00 54.13 54.96 1wyn s LEU 11 Cb -0.22 -3.53 0.09 0.00 0.03 0.00 0.00 46.19 42.56 1wyn s LEU 11 CO 0.60 -1.21 1.15 -0.44 0.23 0.00 0.00 176.35 176.68 1wyn s SER 12 N 3.78 -0.06 0.00 2.29 0.01 -1.26 -5.05 113.70 113.41 1wyn s SER 12 Ca 0.66 -0.34 0.00 0.00 1.31 0.00 0.00 55.95 57.58 1wyn s SER 12 Cb -0.22 0.32 0.00 0.00 0.21 0.00 0.00 66.02 66.33 1wyn s SER 12 CO 0.27 -0.60 0.19 0.29 0.41 0.00 0.00 173.24 173.80 1wyn n LYS 13 N -0.61 -0.13 -3.71 12.44 4.01 -1.26 -5.03 118.16 123.87 1wyn n LYS 13 Ca -0.04 -0.20 -0.09 0.00 -0.51 0.00 0.00 58.31 57.46 1wyn n LYS 13 Cb 0.61 -0.63 -0.02 0.00 -0.51 0.00 0.00 35.03 34.48 1wyn n LYS 13 CO 0.00 0.00 0.00 -0.47 -1.11 0.00 0.00 177.40 175.82 1wyn s TYR 14 N -0.03 -0.28 -0.30 2.13 6.14 -1.26 -4.42 117.35 119.33 1wyn s TYR 14 Ca 0.00 -0.08 -0.17 0.00 0.64 0.00 0.00 57.07 57.46 1wyn s TYR 14 Cb 0.00 0.61 0.18 0.00 0.42 0.00 0.00 41.96 43.18 1wyn s TYR 14 CO 0.00 -1.07 1.16 0.34 0.64 0.00 0.00 175.55 176.62 1wyn s ASP 15 N -2.86 -0.26 0.25 4.32 2.15 -1.26 -5.02 116.67 113.99 1wyn s ASP 15 Ca 0.08 0.38 0.23 0.00 0.43 0.00 0.00 52.55 53.67 1wyn s ASP 15 Cb -0.04 1.24 0.97 0.00 -0.30 0.00 0.00 42.92 44.79 1wyn s ASP 15 CO -0.01 -0.06 1.70 -0.81 -0.17 0.00 0.00 175.17 175.83 1wyn n PRO 16 N 4.21 0.19 -0.05 4.34 -0.04 -1.26 -2.20 135.00 140.19 1wyn n PRO 16 Ca -0.11 0.42 -0.11 0.00 -0.04 0.00 0.00 63.50 63.66 1wyn n PRO 16 Cb 0.55 -1.86 -0.15 0.00 -0.04 0.00 0.00 33.50 32.00 1wyn n PRO 16 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1wyn n GLN 17 N -2.22 0.66 -0.01 0.54 0.00 -1.26 -4.33 117.38 110.77 1wyn n GLN 17 Ca 0.02 0.17 -0.18 0.00 0.00 0.00 0.00 57.00 57.01 1wyn n GLN 17 Cb 0.22 -1.67 -0.09 0.00 0.00 0.00 0.00 30.24 28.71 1wyn n GLN 17 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.06 177.93 1wyn h LYS 18 N 0.01 0.70 -0.66 2.61 1.79 -1.91 -3.14 116.57 115.97 1wyn h LYS 18 Ca -0.41 -0.62 0.19 0.00 -2.18 0.00 0.00 60.65 57.62 1wyn h LYS 18 Cb 2.10 0.15 -0.03 0.00 -1.58 0.00 0.00 32.23 32.87 1wyn h LYS 18 CO 0.05 1.23 0.91 1.49 -1.08 0.00 0.00 179.45 182.05 1wyn h GLU 19 N 0.38 0.00 0.08 3.15 4.81 -1.63 0.48 114.58 121.85 1wyn h GLU 19 Ca -0.07 0.00 -0.25 0.00 -0.13 0.00 0.00 59.36 58.91 1wyn h GLU 19 Cb 1.43 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.80 1wyn h GLU 19 CO 0.16 0.00 -1.30 0.00 -0.73 0.00 0.00 179.01 177.14 1wyn h ALA 20 N 0.81 0.20 -0.93 2.92 0.00 -1.77 -3.25 119.26 117.23 1wyn h ALA 20 Ca 0.31 -1.08 0.11 0.00 0.00 0.00 0.00 54.91 54.25 1wyn h ALA 20 Cb 2.12 0.51 -0.08 0.00 0.00 0.00 0.00 17.79 20.34 1wyn h ALA 20 CO -0.00 0.76 0.56 0.93 0.00 0.00 0.00 179.25 181.50 1wyn h GLU 21 N -0.48 0.88 0.21 0.00 5.08 -0.13 -0.17 114.58 119.97 1wyn h GLU 21 Ca -0.30 -0.05 -0.01 0.00 -1.00 0.00 0.00 59.36 58.00 1wyn h GLU 21 Cb 1.62 -0.20 0.00 0.00 0.50 0.00 0.00 28.75 30.68 1wyn h GLU 21 CO 0.00 0.58 -0.10 -0.07 -1.00 0.00 0.00 179.01 178.42 1wyn h LEU 22 N 0.91 -0.24 -1.22 1.33 3.38 -1.46 0.16 115.31 118.17 1wyn h LEU 22 Ca 0.46 0.01 0.32 0.00 0.09 0.00 0.00 57.88 58.75 1wyn h LEU 22 Cb 0.44 0.06 -0.12 0.00 0.09 0.00 0.00 40.66 41.13 1wyn h LEU 22 CO -0.26 -0.14 0.67 0.08 0.09 0.00 0.00 178.44 178.88 1wyn h ARG 23 N -0.33 0.32 0.00 1.13 0.11 -1.57 1.27 114.38 115.31 1wyn h ARG 23 Ca -0.03 -0.02 -0.11 0.00 0.10 0.00 0.00 59.98 59.92 1wyn h ARG 23 Cb 0.21 -0.07 -0.02 0.00 1.11 0.00 0.00 29.97 31.20 1wyn h ARG 23 CO 0.05 0.21 -0.54 1.15 0.10 0.00 0.00 179.97 180.94 1wyn h THR 24 N 0.33 1.09 0.00 0.08 2.02 -0.96 0.12 112.91 115.59 1wyn h THR 24 Ca 0.69 -2.06 -0.11 0.00 0.77 0.00 0.00 66.41 65.70 1wyn h THR 24 Cb 1.76 2.21 -0.02 0.00 -1.74 0.00 0.00 68.15 70.37 1wyn h THR 24 CO -0.44 0.53 -0.98 -0.25 0.37 0.00 0.00 175.52 174.75 1wyn h TRP 25 N 0.00 0.00 0.05 3.16 7.01 0.43 -3.31 115.95 123.30 1wyn h TRP 25 Ca -0.01 0.00 -0.30 0.00 2.11 0.00 0.00 58.89 60.69 1wyn h TRP 25 Cb 1.17 0.00 -0.03 0.00 -2.10 0.00 0.00 29.16 28.20 1wyn h TRP 25 CO 0.00 0.41 -1.66 -0.89 -2.79 0.00 0.00 178.44 173.51 1wyn n ILE 26 N -2.96 1.64 -0.33 2.65 5.41 0.21 -3.37 119.36 122.62 1wyn n ILE 26 Ca -0.04 -0.32 0.15 0.00 1.00 0.00 0.00 62.75 63.54 1wyn n ILE 26 Cb 0.73 -1.89 0.37 0.00 -0.71 0.00 0.00 39.64 38.14 1wyn n ILE 26 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 176.55 176.22 1wyn h GLU 27 N -0.52 0.66 0.04 0.38 5.08 -0.93 0.03 114.58 119.33 1wyn h GLU 27 Ca -0.40 -0.04 -0.23 0.00 -1.00 0.00 0.00 59.36 57.69 1wyn h GLU 27 Cb 1.65 -0.15 -0.00 0.00 0.50 0.00 0.00 28.75 30.74 1wyn h GLU 27 CO -0.09 0.44 -1.02 0.78 -1.00 0.00 0.00 179.01 178.12 1wyn h GLY 28 N 0.68 0.30 0.56 -3.84 0.00 -1.73 0.25 103.07 99.30 1wyn h GLY 28 Ca 0.55 -0.60 -0.03 0.00 0.00 0.00 0.00 47.33 47.25 1wyn h GLY 28 CO -0.33 0.53 -0.27 1.41 0.00 0.00 0.00 176.54 177.88 1wyn h LEU 29 N 0.12 -0.64 -0.16 3.11 3.38 -1.05 -3.26 115.31 116.81 1wyn h LEU 29 Ca -0.08 0.02 -0.08 0.00 0.09 0.00 0.00 57.88 57.84 1wyn h LEU 29 Cb 1.69 0.17 -0.01 0.00 0.09 0.00 0.00 40.66 42.59 1wyn h LEU 29 CO 0.16 -0.39 -0.36 0.71 0.09 0.00 0.00 178.44 178.65 1wyn h THR 30 N -0.89 0.65 -0.38 0.22 1.35 -1.38 -3.48 112.91 109.00 1wyn h THR 30 Ca -0.08 -1.82 -0.08 0.00 -0.55 0.00 0.00 66.41 63.88 1wyn h THR 30 Cb 0.58 2.25 -0.02 0.00 -1.73 0.00 0.00 68.15 69.23 1wyn h THR 30 CO 0.13 0.35 -0.09 0.61 -0.25 0.00 0.00 175.52 176.27 1wyn n GLY 31 N 1.05 0.47 2.71 5.82 0.00 0.88 -5.04 105.19 111.07 1wyn n GLY 31 Ca 0.02 -0.81 -0.19 0.00 0.00 0.00 0.00 46.02 45.05 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 -0.52 0.00 -4.16 0.99 4.77 -1.09 -4.99 117.00 112.00 1wyn n LEU 32 Ca -0.04 -2.06 -0.29 0.00 -0.03 0.00 0.00 56.01 53.58 1wyn n LEU 32 Cb 0.32 -0.01 -0.17 0.00 -2.33 0.00 0.00 43.42 41.24 1wyn n LEU 32 CO 0.06 -0.48 -0.53 -0.44 -1.33 0.00 0.00 177.39 174.67 1wyn s SER 33 N -3.28 2.62 -0.01 -1.43 0.01 -1.26 -4.58 113.70 105.77 1wyn s SER 33 Ca 0.21 -0.46 -0.12 0.00 1.31 0.00 0.00 55.95 56.89 1wyn s SER 33 Cb -0.02 -1.11 -0.32 0.00 0.21 0.00 0.00 66.02 64.78 1wyn s SER 33 CO 0.13 0.13 0.84 0.40 0.41 0.00 0.00 173.24 175.16 1wyn h ILE 34 N 5.68 1.12 0.00 1.44 2.04 -1.94 -3.49 117.51 122.36 1wyn h ILE 34 Ca -0.25 -2.65 0.00 0.00 1.00 0.00 0.00 64.86 62.96 1wyn h ILE 34 Cb 1.21 2.88 0.00 0.00 -0.74 0.00 0.00 36.82 40.18 1wyn h ILE 34 CO 0.47 0.84 0.00 0.61 0.00 0.00 0.00 178.15 180.07 1wyn n GLY 35 N 1.77 -1.60 0.11 5.37 0.00 -1.26 -3.72 105.19 105.86 1wyn n GLY 35 Ca -0.20 -2.21 0.11 0.00 0.00 0.00 0.00 46.02 43.72 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 -0.34 0.16 -4.02 1.61 -0.04 -1.26 -4.54 135.00 126.57 1wyn n PRO 36 Ca 0.00 0.40 -0.30 0.00 -0.04 0.00 0.00 63.50 63.56 1wyn n PRO 36 Cb 0.00 -1.81 -0.16 0.00 -0.04 0.00 0.00 33.50 31.48 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 -4.03 2.69 -0.00 3.54 1.11 -1.26 -5.04 116.67 113.67 1wyn s ASP 37 Ca 0.04 -0.49 -0.11 0.00 0.18 0.00 0.00 52.55 52.18 1wyn s ASP 37 Cb 0.09 -1.18 -0.06 0.00 1.07 0.00 0.00 42.92 42.84 1wyn s ASP 37 CO 0.37 -0.05 0.73 0.15 1.18 0.00 0.00 175.17 177.54 1wyn h PHE 38 N 8.05 -0.35 -0.98 4.23 3.57 -1.88 0.20 116.94 129.77 1wyn h PHE 38 Ca -0.39 -0.01 0.38 0.00 3.53 0.00 0.00 57.97 61.49 1wyn h PHE 38 Cb 1.14 0.12 -0.18 0.00 2.79 0.00 0.00 35.95 39.82 1wyn h PHE 38 CO 0.47 -0.22 0.41 0.94 -2.23 0.00 0.00 178.31 177.69 1wyn n GLN 39 N -3.60 -0.06 0.01 1.11 0.00 -1.26 -0.86 117.38 112.71 1wyn n GLN 39 Ca -0.05 1.37 -0.01 0.00 -0.00 0.00 0.00 57.00 58.32 1wyn n GLN 39 Cb 0.15 -2.40 -0.01 0.00 0.00 0.00 0.00 30.24 27.98 1wyn n GLN 39 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.06 177.93 1wyn h LYS 40 N 0.00 -0.07 -1.72 3.69 1.57 -1.91 0.38 116.57 118.51 1wyn h LYS 40 Ca 0.78 0.00 0.50 0.00 -1.87 0.00 0.00 60.65 60.06 1wyn h LYS 40 Cb 1.98 0.02 -0.07 0.00 0.08 0.00 0.00 32.23 34.23 1wyn h LYS 40 CO -0.79 -0.05 1.23 0.41 -0.57 0.00 0.00 179.45 179.69 1wyn n GLY 41 N 1.45 -0.87 0.11 3.86 0.00 0.69 0.13 105.19 110.57 1wyn n GLY 41 Ca -0.01 0.61 -0.14 0.00 0.00 0.00 0.00 46.02 46.48 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 -3.71 1.52 0.00 0.99 4.77 -0.04 -4.54 117.00 115.98 1wyn n LEU 42 Ca 0.39 -0.05 0.00 0.00 -0.03 0.00 0.00 56.01 56.32 1wyn n LEU 42 Cb 1.76 -0.22 0.00 0.00 -2.33 0.00 0.00 43.42 42.63 1wyn n LEU 42 CO 0.38 0.72 0.32 1.17 -1.33 0.00 0.00 177.39 178.65 1wyn n LYS 43 N -3.02 0.00 -0.37 3.23 4.81 0.35 0.17 118.16 123.32 1wyn n LYS 43 Ca -0.39 0.65 0.31 0.00 -0.87 0.00 0.00 58.31 58.01 1wyn n LYS 43 Cb 1.07 -1.03 0.52 0.00 0.02 0.00 0.00 35.03 35.61 1wyn n LYS 43 CO 0.00 0.00 0.00 -3.47 1.17 0.00 0.00 177.40 175.10 1wyn n ASP 44 N -2.18 0.15 -0.32 3.14 -0.08 -1.20 -4.73 116.55 111.33 1wyn n ASP 44 Ca 0.00 1.03 0.00 0.00 -1.51 0.00 0.00 54.79 54.31 1wyn n ASP 44 Cb 0.00 -0.51 0.00 0.00 2.34 0.00 0.00 41.12 42.95 1wyn n ASP 44 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1wyn n GLY 45 N -1.41 0.93 0.08 0.27 0.00 0.44 -4.35 105.19 101.15 1wyn n GLY 45 Ca 0.31 -0.54 -0.11 0.00 0.00 0.00 0.00 46.02 45.68 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 0.38 0.15 2.61 1.35 -1.81 -3.38 112.91 112.21 1wyn h THR 46 Ca 0.00 -1.46 -0.01 0.00 -0.55 0.00 0.00 66.41 64.39 1wyn h THR 46 Cb 0.76 0.89 0.00 0.00 -1.73 0.00 0.00 68.15 68.07 1wyn h THR 46 CO 0.00 0.13 -0.07 0.40 -0.25 0.00 0.00 175.52 175.73 1wyn h ILE 47 N -1.00 0.74 -1.04 6.82 2.04 -1.88 -3.22 117.51 119.98 1wyn h ILE 47 Ca -0.12 -1.19 0.36 0.00 1.00 0.00 0.00 64.86 64.90 1wyn h ILE 47 Cb 0.77 1.29 -0.10 0.00 -0.74 0.00 0.00 36.82 38.04 1wyn h ILE 47 CO -0.08 0.21 0.67 0.18 0.00 0.00 0.00 178.15 179.13 1wyn n LEU 48 N -4.89 0.15 0.15 1.44 4.77 -1.26 0.63 117.00 117.99 1wyn n LEU 48 Ca -0.07 1.01 -0.08 0.00 -0.03 0.00 0.00 56.01 56.84 1wyn n LEU 48 Cb 0.25 -0.50 -0.05 0.00 -2.33 0.00 0.00 43.42 40.79 1wyn n LEU 48 CO 0.22 -1.10 0.25 0.00 -1.33 0.00 0.00 177.39 175.43 1wyn h THR 50 N -1.08 0.66 -0.63 0.00 1.35 0.19 -1.66 112.91 111.74 1wyn h THR 50 Ca -0.05 -0.18 0.12 0.00 -0.55 0.00 0.00 66.41 65.75 1wyn h THR 50 Cb 0.42 0.09 -0.12 0.00 -1.73 0.00 0.00 68.15 66.81 1wyn h THR 50 CO 0.08 0.10 -0.29 0.25 -0.25 0.00 0.00 175.52 175.40 1wyn h LEU 51 N 0.52 -1.03 0.29 3.87 5.85 -1.04 -1.20 115.31 122.57 1wyn h LEU 51 Ca 0.46 0.22 -0.01 0.00 0.84 0.00 0.00 57.88 59.39 1wyn h LEU 51 Cb 0.70 0.54 0.00 0.00 0.37 0.00 0.00 40.66 42.28 1wyn h LEU 51 CO -0.40 -0.29 -0.14 -0.03 -0.34 0.00 0.00 178.44 177.24 1wyn h MET 52 N -0.12 -0.38 -1.24 1.25 4.05 -1.36 -2.49 114.93 114.65 1wyn h MET 52 Ca 0.26 0.03 0.40 0.00 -0.28 0.00 0.00 59.70 60.10 1wyn h MET 52 Cb 0.54 0.09 -0.12 0.00 -0.80 0.00 0.00 31.60 31.31 1wyn h MET 52 CO -0.70 -0.23 0.79 -0.91 0.23 0.00 0.00 176.91 176.09 1wyn h ASN 53 N -0.42 0.30 -0.25 1.39 2.35 -0.90 0.63 115.58 118.68 1wyn h ASN 53 Ca -0.04 0.13 -0.02 0.00 -0.55 0.00 0.00 56.30 55.82 1wyn h ASN 53 Cb 0.32 0.11 -0.01 0.00 0.05 0.00 0.00 38.32 38.79 1wyn h ASN 53 CO 0.07 -0.13 0.07 0.11 -1.65 0.00 0.00 177.43 175.89 1wyn h LYS 54 N 0.15 0.39 -0.05 0.81 1.79 -0.84 -3.22 116.57 115.60 1wyn h LYS 54 Ca 0.77 -0.09 -0.03 0.00 -2.18 0.00 0.00 60.65 59.12 1wyn h LYS 54 Cb 2.31 -0.05 -0.00 0.00 -1.58 0.00 0.00 32.23 32.91 1wyn h LYS 54 CO -0.41 0.48 -0.08 -0.07 -1.08 0.00 0.00 179.45 178.29 1wyn h LEU 55 N 0.23 0.16 -8.42 2.94 3.38 0.17 -3.43 115.31 110.34 1wyn h LEU 55 Ca 0.08 -0.52 -0.66 0.00 0.09 0.00 0.00 57.88 56.86 1wyn h LEU 55 Cb 0.25 -0.05 -0.29 0.00 0.09 0.00 0.00 40.66 40.67 1wyn h LEU 55 CO -0.00 0.65 -0.78 -1.58 0.09 0.00 0.00 178.44 176.82 1wyn s GLN 56 N -4.12 3.28 0.00 1.13 0.74 0.58 -4.98 119.66 116.29 1wyn s GLN 56 Ca -0.15 -0.71 0.13 0.00 0.05 0.00 0.00 55.36 54.68 1wyn s GLN 56 Cb 0.03 -2.71 0.78 0.00 1.10 0.00 0.00 33.01 32.22 1wyn s GLN 56 CO 0.71 0.01 1.21 -0.35 -0.55 0.00 0.00 175.29 176.32 1wyn n PRO 57 N 4.11 0.49 -2.84 1.67 -0.04 -1.25 -3.39 135.00 133.74 1wyn n PRO 57 Ca -0.19 0.00 -0.11 0.00 -0.04 0.00 0.00 63.50 63.16 1wyn n PRO 57 Cb 0.52 -1.42 0.05 0.00 -0.04 0.00 0.00 33.50 32.60 1wyn n PRO 57 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1wyn n GLY 58 N -0.02 1.88 0.25 0.55 0.00 -1.26 -4.98 105.19 101.61 1wyn n GLY 58 Ca 0.10 -0.84 -0.05 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 0.04 1.22 -4.44 1.61 3.41 -1.22 -4.98 113.62 109.25 1wyn n SER 59 Ca 0.11 0.20 -0.35 0.00 -0.26 0.00 0.00 58.87 58.57 1wyn n SER 59 Cb 0.75 -0.58 -0.13 0.00 -0.26 0.00 0.00 64.21 63.99 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 -2.18 3.88 -0.02 -3.33 1.01 -1.26 -4.80 120.40 113.69 1wyn s VAL 60 Ca -0.16 -0.34 -0.25 0.00 0.00 0.00 0.00 61.98 61.22 1wyn s VAL 60 Cb 0.02 -2.74 -0.20 0.00 0.00 0.00 0.00 36.38 33.46 1wyn s VAL 60 CO 0.24 0.44 1.22 1.55 0.00 0.00 0.00 175.10 178.55 1wyn h PRO 61 N 7.42 -0.06 -3.12 2.72 0.13 -1.98 -3.48 132.00 133.65 1wyn h PRO 61 Ca -0.35 0.00 -0.09 0.00 -0.87 0.00 0.00 66.00 64.69 1wyn h PRO 61 Cb 1.18 0.01 -0.17 0.00 0.13 0.00 0.00 31.00 32.15 1wyn h PRO 61 CO 0.61 0.41 -0.19 0.21 -0.23 0.00 0.00 178.00 178.81 1wyn s LYS 62 N -4.21 0.83 -0.07 0.86 2.47 -1.26 -5.17 119.74 113.20 1wyn s LYS 62 Ca -0.15 -0.37 0.02 0.00 -1.56 0.00 0.00 55.97 53.90 1wyn s LYS 62 Cb 0.02 0.37 -0.03 0.00 -1.46 0.00 0.00 37.83 36.72 1wyn s LYS 62 CO 0.64 -0.27 -0.10 0.42 0.16 0.00 0.00 175.35 176.21 1wyn s ILE 63 N -2.25 3.44 -0.40 5.43 1.01 -1.26 -4.97 121.20 122.20 1wyn s ILE 63 Ca -0.07 -0.57 -0.19 0.00 0.00 0.00 0.00 60.65 59.81 1wyn s ILE 63 Cb -0.02 -2.39 0.01 0.00 0.01 0.00 0.00 42.46 40.07 1wyn s ILE 63 CO -0.01 0.59 0.56 0.20 0.00 0.00 0.00 174.94 176.28 1wyn s ASN 64 N -0.66 6.31 -0.69 3.58 0.01 -1.26 -4.94 114.94 117.29 1wyn s ASN 64 Ca 0.10 -0.24 -0.02 0.00 -0.71 0.00 0.00 52.86 51.99 1wyn s ASN 64 Cb -0.11 -2.29 0.40 0.00 0.41 0.00 0.00 41.25 39.66 1wyn s ASN 64 CO 0.01 -0.62 2.06 -1.14 -1.51 0.00 0.00 177.10 175.90 1wyn n ARG 65 N 5.95 2.64 -4.06 -0.60 0.63 -1.26 -4.73 116.66 115.23 1wyn n ARG 65 Ca -0.04 -3.21 -0.28 0.00 -0.92 0.00 0.00 57.85 53.41 1wyn n ARG 65 Cb 0.48 -2.24 -0.06 0.00 0.45 0.00 0.00 32.46 31.10 1wyn n ARG 65 CO 0.00 0.00 0.00 -1.12 -2.51 0.00 0.00 177.63 174.00 1wyn s SER 66 N -1.44 5.56 -0.21 6.15 0.01 -1.26 -5.00 113.70 117.50 1wyn s SER 66 Ca 0.59 -0.07 0.01 0.00 1.31 0.00 0.00 55.95 57.79 1wyn s SER 66 Cb 0.47 -1.48 0.23 0.00 0.21 0.00 0.00 66.02 65.45 1wyn s SER 66 CO -0.12 0.11 1.63 0.23 0.41 0.00 0.00 173.24 175.50 1wyn n MET 67 N -0.03 1.57 -3.92 12.44 2.81 -1.26 -4.57 117.12 124.16 1wyn n MET 67 Ca -0.08 -1.24 -0.21 0.00 -1.81 0.00 0.00 57.70 54.35 1wyn n MET 67 Cb 0.53 -1.49 -0.04 0.00 -0.71 0.00 0.00 33.22 31.52 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 -1.40 2.89 -0.02 0.03 -1.52 -1.26 -5.05 119.66 113.32 1wyn s GLN 68 Ca 0.24 -1.14 -0.04 0.00 -1.95 0.00 0.00 55.36 52.48 1wyn s GLN 68 Cb 0.20 -2.57 -0.02 0.00 -0.22 0.00 0.00 33.01 30.40 1wyn s GLN 68 CO 0.02 0.24 0.30 -0.91 -0.25 0.00 0.00 175.29 174.70 1wyn h ASN 69 N 1.31 -0.11 -0.84 5.90 2.35 -1.99 -2.67 115.58 119.53 1wyn h ASN 69 Ca -0.47 0.00 0.14 0.00 -0.55 0.00 0.00 56.30 55.43 1wyn h ASN 69 Cb 1.25 0.03 -0.15 0.00 0.05 0.00 0.00 38.32 39.50 1wyn h ASN 69 CO 0.59 0.07 -0.35 4.11 -1.65 0.00 0.00 177.43 180.20 1wyn h TRP 70 N -0.42 -0.95 0.41 1.19 0.09 -1.99 0.90 115.95 115.17 1wyn h TRP 70 Ca -0.01 0.09 -0.01 0.00 0.09 0.00 0.00 58.89 59.05 1wyn h TRP 70 Cb 0.10 0.54 -0.02 0.00 0.08 0.00 0.00 29.16 29.86 1wyn h TRP 70 CO 0.04 -0.39 -0.45 0.45 0.09 0.00 0.00 178.44 178.17 1wyn h HIS 71 N -0.06 -1.27 -0.95 0.12 3.86 -1.94 -0.76 115.15 114.16 1wyn h HIS 71 Ca 0.32 0.01 0.26 0.00 -1.16 0.00 0.00 60.37 59.80 1wyn h HIS 71 Cb 0.59 0.50 -0.14 0.00 1.06 0.00 0.00 27.41 29.42 1wyn h HIS 71 CO -0.77 -0.59 0.47 1.96 0.86 0.00 0.00 177.93 179.86 1wyn h GLN 72 N -0.87 0.37 0.07 2.45 4.20 -0.87 0.27 115.11 120.72 1wyn h GLN 72 Ca -0.05 -0.02 -0.00 0.00 0.06 0.00 0.00 58.65 58.63 1wyn h GLN 72 Cb 0.77 -0.08 0.00 0.00 0.30 0.00 0.00 27.48 28.46 1wyn h GLN 72 CO -0.08 0.25 -0.03 -0.07 -0.67 0.00 0.00 178.83 178.22 1wyn h LEU 73 N 0.38 -0.08 -0.91 1.46 -0.00 -0.24 -2.90 115.31 113.02 1wyn h LEU 73 Ca 0.63 -0.10 0.25 0.00 -0.00 0.00 0.00 57.88 58.67 1wyn h LEU 73 Cb 1.31 0.02 -0.16 0.00 -0.00 0.00 0.00 40.66 41.83 1wyn h LEU 73 CO -0.56 0.05 0.17 -0.08 -0.00 0.00 0.00 178.44 178.01 1wyn h GLU 74 N -0.21 0.12 -0.13 1.13 4.81 0.53 -0.77 114.58 120.06 1wyn h GLU 74 Ca -0.01 -0.01 0.02 0.00 -0.13 0.00 0.00 59.36 59.24 1wyn h GLU 74 Cb 0.18 -0.03 -0.05 0.00 0.63 0.00 0.00 28.75 29.48 1wyn h GLU 74 CO 0.02 0.08 -0.41 -0.91 -0.73 0.00 0.00 179.01 177.05 1wyn h ASN 75 N 0.12 -1.31 -0.38 1.04 2.35 -1.29 0.91 115.58 117.03 1wyn h ASN 75 Ca 0.57 0.16 0.06 0.00 -0.55 0.00 0.00 56.30 56.54 1wyn h ASN 75 Cb 1.19 0.51 -0.05 0.00 0.05 0.00 0.00 38.32 40.02 1wyn h ASN 75 CO -0.75 -0.35 0.06 -0.07 -1.65 0.00 0.00 177.43 174.67 1wyn h LEU 76 N -0.41 -0.02 -0.84 1.61 3.38 -1.25 -1.08 115.31 116.70 1wyn h LEU 76 Ca 0.03 0.07 0.17 0.00 0.09 0.00 0.00 57.88 58.23 1wyn h LEU 76 Cb 0.50 0.10 -0.10 0.00 0.09 0.00 0.00 40.66 41.24 1wyn h LEU 76 CO -0.34 0.03 0.39 0.28 0.09 0.00 0.00 178.44 178.89 1wyn h SER 77 N 0.18 0.41 0.01 -0.43 0.02 -0.58 0.15 113.55 113.31 1wyn h SER 77 Ca 0.18 0.11 -0.00 0.00 -0.84 0.00 0.00 61.79 61.25 1wyn h SER 77 Cb 0.22 0.06 0.00 0.00 0.14 0.00 0.00 62.40 62.83 1wyn h SER 77 CO -0.25 0.13 -0.00 0.78 -1.14 0.00 0.00 176.83 176.35 1wyn h ASN 78 N 0.52 -0.01 0.25 3.07 2.35 0.08 -2.80 115.58 119.04 1wyn h ASN 78 Ca 0.48 -0.37 0.01 0.00 -0.55 0.00 0.00 56.30 55.86 1wyn h ASN 78 Cb 0.77 0.00 -0.03 0.00 0.05 0.00 0.00 38.32 39.11 1wyn h ASN 78 CO -0.42 0.37 -0.33 0.15 -1.65 0.00 0.00 177.43 175.55 1wyn h PHE 79 N -0.38 -0.89 -0.27 1.19 3.57 -0.29 -1.23 116.94 118.63 1wyn h PHE 79 Ca -0.00 0.01 0.03 0.00 3.53 0.00 0.00 57.97 61.55 1wyn h PHE 79 Cb 0.38 0.36 -0.06 0.00 2.79 0.00 0.00 35.95 39.42 1wyn h PHE 79 CO 0.06 -0.46 -0.43 0.82 -2.23 0.00 0.00 178.31 176.07 1wyn h ILE 80 N -0.63 0.00 -0.95 1.41 2.04 -0.80 0.20 117.51 118.77 1wyn h ILE 80 Ca 0.00 0.00 0.24 0.00 1.00 0.00 0.00 64.86 66.10 1wyn h ILE 80 Cb 0.61 0.00 -0.07 0.00 -0.74 0.00 0.00 36.82 36.62 1wyn h ILE 80 CO -0.11 0.00 0.64 0.11 0.00 0.00 0.00 178.15 178.78 1wyn h LYS 81 N -0.34 0.31 -0.48 2.37 1.79 -1.39 0.81 116.57 119.64 1wyn h LYS 81 Ca 0.05 -0.02 -0.05 0.00 -2.18 0.00 0.00 60.65 58.45 1wyn h LYS 81 Cb 0.47 -0.07 -0.02 0.00 -1.58 0.00 0.00 32.23 31.03 1wyn h LYS 81 CO -0.43 0.21 0.13 0.00 -1.08 0.00 0.00 179.45 178.27 1wyn h ALA 82 N 1.59 0.64 -0.36 3.86 0.00 0.58 -3.04 119.26 122.52 1wyn h ALA 82 Ca 0.50 -0.20 0.06 0.00 0.00 0.00 0.00 54.91 55.27 1wyn h ALA 82 Cb 1.40 -0.19 -0.05 0.00 0.00 0.00 0.00 17.79 18.95 1wyn h ALA 82 CO -0.17 0.32 0.03 0.52 0.00 0.00 0.00 179.25 179.95 1wyn h MET 83 N 0.66 0.14 -0.83 0.00 2.86 0.67 -1.69 114.93 116.73 1wyn h MET 83 Ca 0.15 -0.01 0.18 0.00 -2.06 0.00 0.00 59.70 57.96 1wyn h MET 83 Cb 0.31 -0.03 -0.11 0.00 0.06 0.00 0.00 31.60 31.84 1wyn h MET 83 CO 0.00 0.09 0.36 0.28 1.06 0.00 0.00 176.91 178.70 1wyn h VAL 84 N 0.14 0.59 -0.64 -2.22 2.07 -1.40 0.19 116.25 114.98 1wyn h VAL 84 Ca 0.17 -0.16 -0.05 0.00 0.82 0.00 0.00 66.70 67.49 1wyn h VAL 84 Cb 0.22 0.09 -0.03 0.00 -1.52 0.00 0.00 31.29 30.06 1wyn h VAL 84 CO -0.26 0.08 0.21 -1.28 0.02 0.00 0.00 177.57 176.34 1wyn h SER 85 N 0.45 0.93 -0.83 0.57 0.87 -1.28 -2.84 113.55 111.42 1wyn h SER 85 Ca 0.48 -0.20 0.16 0.00 -1.23 0.00 0.00 61.79 61.00 1wyn h SER 85 Cb 0.81 -0.24 -0.10 0.00 -0.44 0.00 0.00 62.40 62.43 1wyn h SER 85 CO -0.46 0.89 0.38 0.22 -0.53 0.00 0.00 176.83 177.33 1wyn h TYR 86 N 0.92 0.66 0.00 2.24 3.20 -0.37 -3.45 116.97 120.17 1wyn h TYR 86 Ca 0.21 0.04 0.00 0.00 3.14 0.00 0.00 58.73 62.11 1wyn h TYR 86 Cb 0.28 -0.17 0.00 0.00 1.54 0.00 0.00 36.73 38.39 1wyn h TYR 86 CO 0.02 0.09 0.00 0.41 -1.64 0.00 0.00 178.16 177.04 1wyn n GLY 87 N -1.33 1.11 3.91 1.82 0.00 -1.06 -5.13 105.19 104.51 1wyn n GLY 87 Ca 0.17 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.92 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 3.01 0.41 1.61 -1.94 -1.21 -5.06 119.30 116.12 1wyn s MET 88 Ca 0.00 0.12 -0.23 0.00 -1.71 0.00 0.00 55.69 53.88 1wyn s MET 88 Cb 0.00 -2.24 -0.10 0.00 2.01 0.00 0.00 34.83 34.50 1wyn s MET 88 CO 0.00 -0.69 0.98 1.21 -0.01 0.00 0.00 175.02 176.51 1wyn s ASN 89 N -4.29 6.89 0.00 3.03 2.47 -1.26 -4.81 114.94 116.98 1wyn s ASN 89 Ca 0.54 1.83 0.15 0.00 0.42 0.00 0.00 52.86 55.80 1wyn s ASN 89 Cb -0.11 -2.56 0.82 0.00 -1.45 0.00 0.00 41.25 37.95 1wyn s ASN 89 CO 0.46 -0.39 1.39 -0.81 -3.72 0.00 0.00 177.10 174.03 1wyn n PRO 90 N -0.33 0.31 -0.00 0.43 -0.04 -1.26 -2.00 135.00 132.11 1wyn n PRO 90 Ca 0.06 0.09 0.06 0.00 -0.04 0.00 0.00 63.50 63.67 1wyn n PRO 90 Cb 0.52 -1.50 -0.07 0.00 -0.04 0.00 0.00 33.50 32.41 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 -1.19 0.00 -0.52 0.52 0.24 -1.26 -4.41 118.33 111.71 1wyn n VAL 91 Ca 0.09 -0.24 0.08 0.00 -2.04 0.00 0.00 64.34 62.23 1wyn n VAL 91 Cb 0.10 0.77 0.35 0.00 -1.47 0.00 0.00 33.84 33.59 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 -1.46 4.70 -3.90 -1.34 8.00 -0.85 -4.94 116.55 116.77 1wyn n ASP 92 Ca 0.01 -2.52 -0.13 0.00 0.71 0.00 0.00 54.79 52.86 1wyn n ASP 92 Cb 0.22 -0.59 0.04 0.00 -0.02 0.00 0.00 41.12 40.77 1wyn n ASP 92 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 1wyn n LEU 93 N 0.95 0.00 -3.72 0.64 4.77 -1.24 -4.04 117.00 114.36 1wyn n LEU 93 Ca 0.25 -1.64 -0.14 0.00 -0.03 0.00 0.00 56.01 54.44 1wyn n LEU 93 Cb 0.91 -0.25 -0.09 0.00 -2.33 0.00 0.00 43.42 41.66 1wyn n LEU 93 CO 0.24 -0.62 0.10 0.72 -1.33 0.00 0.00 177.39 176.50 1wyn s PHE 94 N -1.37 -0.32 0.64 -1.77 -0.71 -1.26 -4.78 117.98 108.41 1wyn s PHE 94 Ca 0.38 0.62 -0.11 0.00 -1.04 0.00 0.00 56.93 56.78 1wyn s PHE 94 Cb -0.03 0.16 0.16 0.00 -1.21 0.00 0.00 43.02 42.10 1wyn s PHE 94 CO 0.24 -0.37 0.52 0.39 -1.34 0.00 0.00 175.22 174.65 1wyn n GLU 95 N 1.65 -2.37 -0.00 1.99 1.02 -1.26 -4.89 120.64 116.78 1wyn n GLU 95 Ca -0.19 -0.84 0.11 0.00 -0.02 0.00 0.00 57.16 56.22 1wyn n GLU 95 Cb 0.56 -0.84 -0.14 0.00 -0.02 0.00 0.00 31.44 31.00 1wyn n GLU 95 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1wyn n ALA 96 N -4.03 3.34 0.03 0.62 0.00 -1.26 -4.38 120.51 114.82 1wyn n ALA 96 Ca -0.10 -0.53 -0.20 0.00 0.00 0.00 0.00 53.44 52.61 1wyn n ALA 96 Cb 0.29 -0.77 -0.14 0.00 0.00 0.00 0.00 19.45 18.83 1wyn n ALA 96 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.50 176.59 1wyn h ASN 97 N 0.00 0.42 -0.98 0.00 2.35 -1.97 -3.16 115.58 112.24 1wyn h ASN 97 Ca 0.00 -0.79 0.24 0.00 -0.55 0.00 0.00 56.30 55.20 1wyn h ASN 97 Cb 0.86 -0.14 -0.19 0.00 0.05 0.00 0.00 38.32 38.90 1wyn h ASN 97 CO 0.00 1.70 -0.09 -0.90 -1.65 0.00 0.00 177.43 176.49 1wyn n ASP 98 N -3.46 -0.21 -0.04 5.81 5.68 -1.26 0.56 116.55 123.62 1wyn n ASP 98 Ca -0.26 1.68 -0.17 0.00 -0.50 0.00 0.00 54.79 55.54 1wyn n ASP 98 Cb 1.06 -0.57 -0.13 0.00 -1.14 0.00 0.00 41.12 40.33 1wyn n ASP 98 CO 0.00 0.00 0.00 0.25 -1.33 0.00 0.00 177.20 176.12 1wyn h LEU 99 N 0.00 0.13 0.06 -2.12 5.85 -1.73 1.22 115.31 118.72 1wyn h LEU 99 Ca 0.55 -0.91 0.01 0.00 0.84 0.00 0.00 57.88 58.36 1wyn h LEU 99 Cb 1.02 -0.04 -0.03 0.00 0.37 0.00 0.00 40.66 41.98 1wyn h LEU 99 CO -0.96 1.20 -0.36 0.15 -0.34 0.00 0.00 178.44 178.13 1wyn h PHE 100 N -0.81 -1.04 -0.90 1.25 3.57 -1.09 -2.31 116.94 115.60 1wyn h PHE 100 Ca -0.10 0.03 -0.53 0.00 3.53 0.00 0.00 57.97 60.90 1wyn h PHE 100 Cb 1.24 0.45 -0.27 0.00 2.79 0.00 0.00 35.95 40.15 1wyn h PHE 100 CO 0.23 -0.40 0.69 0.39 -2.23 0.00 0.00 178.31 176.98 1wyn n GLU 101 N -4.48 2.31 -1.75 1.11 1.02 0.19 -4.86 120.64 114.18 1wyn n GLU 101 Ca -0.06 -2.81 -0.00 0.00 -0.02 0.00 0.00 57.16 54.27 1wyn n GLU 101 Cb 0.27 -2.10 -0.00 0.00 -0.02 0.00 0.00 31.44 29.59 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 -0.83 -0.58 0.18 1.62 3.41 -0.82 -4.67 113.62 111.93 1wyn n SER 102 Ca 0.55 0.25 0.12 0.00 -0.26 0.00 0.00 58.87 59.53 1wyn n SER 102 Cb 1.12 -0.81 0.62 0.00 -0.26 0.00 0.00 64.21 64.88 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 -5.93 5.00 0.00 0.13 -3.40 103.07 98.87 1wyn h GLY 103 Ca -0.01 0.00 0.25 0.00 0.00 0.00 0.00 47.33 47.57 1wyn h GLY 103 CO 0.01 0.00 0.26 0.21 0.00 0.00 0.00 176.54 177.01 1wyn s ASN 104 N -4.06 -0.31 0.00 0.19 3.84 0.25 -4.82 114.94 110.04 1wyn s ASN 104 Ca -0.03 0.25 0.20 0.00 0.21 0.00 0.00 52.86 53.49 1wyn s ASN 104 Cb 0.07 1.28 0.12 0.00 -0.55 0.00 0.00 41.25 42.16 1wyn s ASN 104 CO 0.21 -0.06 1.10 0.23 -2.79 0.00 0.00 177.10 175.78 1wyn n MET 105 N 5.26 1.72 -0.05 0.43 2.81 -1.26 -3.96 117.12 122.08 1wyn n MET 105 Ca -0.08 -1.50 -0.20 0.00 -1.81 0.00 0.00 57.70 54.11 1wyn n MET 105 Cb 0.54 -1.38 -0.13 0.00 -0.71 0.00 0.00 33.22 31.54 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 0.83 1.66 0.18 2.03 -2.24 -1.26 -3.33 114.28 112.15 1wyn n THR 106 Ca 0.11 -0.60 0.03 0.00 -2.27 0.00 0.00 64.05 61.33 1wyn n THR 106 Cb 0.48 -1.63 0.35 0.00 -2.10 0.00 0.00 70.33 67.43 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 -0.02 0.00 0.12 -0.78 5.75 -1.78 -2.45 115.11 115.96 1wyn h GLN 107 Ca -0.49 0.00 -0.28 0.00 -0.15 0.00 0.00 58.65 57.73 1wyn h GLN 107 Cb 1.95 0.00 0.00 0.00 1.07 0.00 0.00 27.48 30.50 1wyn h GLN 107 CO -0.00 0.40 -1.30 0.28 -2.65 0.00 0.00 178.83 175.56 1wyn h VAL 108 N 0.00 1.43 0.46 2.39 2.07 -1.74 -3.06 116.25 117.81 1wyn h VAL 108 Ca -0.00 -3.02 -0.02 0.00 0.82 0.00 0.00 66.70 64.47 1wyn h VAL 108 Cb 0.76 2.90 0.00 0.00 -1.52 0.00 0.00 31.29 33.43 1wyn h VAL 108 CO 0.05 0.88 -0.22 -0.61 0.02 0.00 0.00 177.57 177.69 1wyn h GLN 109 N 0.07 -0.60 -0.67 1.57 4.15 -1.52 -3.10 115.11 115.01 1wyn h GLN 109 Ca -0.15 0.04 0.08 0.00 0.77 0.00 0.00 58.65 59.39 1wyn h GLN 109 Cb 1.97 0.14 -0.07 0.00 0.21 0.00 0.00 27.48 29.73 1wyn h GLN 109 CO 0.19 -0.29 0.33 -0.39 -1.93 0.00 0.00 178.83 176.74 1wyn h VAL 110 N -0.91 0.87 -0.71 2.39 -1.51 -1.59 -2.05 116.25 112.74 1wyn h VAL 110 Ca -0.06 -0.20 0.15 0.00 -1.23 0.00 0.00 66.70 65.36 1wyn h VAL 110 Cb 0.58 0.24 -0.13 0.00 -2.13 0.00 0.00 31.29 29.85 1wyn h VAL 110 CO 0.10 0.11 -0.08 -1.28 -1.23 0.00 0.00 177.57 175.19 1wyn h SER 111 N 0.58 -0.48 -0.43 4.19 0.87 -1.53 0.25 113.55 117.00 1wyn h SER 111 Ca 0.32 0.20 -0.06 0.00 -1.23 0.00 0.00 61.79 61.02 1wyn h SER 111 Cb 0.31 0.37 -0.02 0.00 -0.44 0.00 0.00 62.40 62.63 1wyn h SER 111 CO -0.25 -0.20 0.02 -0.07 -0.53 0.00 0.00 176.83 175.81 1wyn h LEU 112 N 0.05 0.72 -2.36 2.23 3.38 -1.31 0.38 115.31 118.41 1wyn h LEU 112 Ca 0.36 -0.29 -0.01 0.00 0.09 0.00 0.00 57.88 58.03 1wyn h LEU 112 Cb 0.60 -0.19 -0.00 0.00 0.09 0.00 0.00 40.66 41.16 1wyn h LEU 112 CO -0.67 0.84 -0.04 -0.07 0.09 0.00 0.00 178.44 178.59 1wyn h LEU 113 N 0.59 0.00 0.09 1.67 3.38 -0.37 -0.91 115.31 119.76 1wyn h LEU 113 Ca 0.12 0.00 -0.34 0.00 0.09 0.00 0.00 57.88 57.75 1wyn h LEU 113 Cb 0.45 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.18 1wyn h LEU 113 CO 0.02 0.04 -1.92 0.00 0.09 0.00 0.00 178.44 176.66 1wyn n ALA 114 N -2.20 1.07 0.08 1.53 0.00 0.64 -3.75 120.51 117.87 1wyn n ALA 114 Ca -0.02 -0.65 -0.02 0.00 0.00 0.00 0.00 53.44 52.75 1wyn n ALA 114 Cb 0.15 -0.72 0.23 0.00 0.00 0.00 0.00 19.45 19.10 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 0.05 0.31 0.39 0.00 5.85 -0.45 -3.20 115.31 118.25 1wyn h LEU 115 Ca -0.39 -0.12 -0.02 0.00 0.84 0.00 0.00 57.88 58.19 1wyn h LEU 115 Cb 2.03 -0.09 0.00 0.00 0.37 0.00 0.00 40.66 42.98 1wyn h LEU 115 CO 0.08 0.65 -0.19 0.00 -0.34 0.00 0.00 178.44 178.65 1wyn h ALA 116 N 1.37 -0.52 -1.23 1.25 0.00 -1.34 0.38 119.26 119.17 1wyn h ALA 116 Ca 0.03 -0.18 0.35 0.00 0.00 0.00 0.00 54.91 55.12 1wyn h ALA 116 Cb 0.76 0.20 -0.08 0.00 0.00 0.00 0.00 17.79 18.67 1wyn h ALA 116 CO 0.06 -0.66 0.85 0.78 0.00 0.00 0.00 179.25 180.27 1wyn h GLY 117 N -0.79 0.58 0.95 0.00 0.00 -1.64 0.39 103.07 102.56 1wyn h GLY 117 Ca -0.05 -0.08 -0.35 0.00 0.00 0.00 0.00 47.33 46.85 1wyn h GLY 117 CO 0.09 -0.11 -1.74 1.70 0.00 0.00 0.00 176.54 176.48 1wyn h LYS 118 N 0.14 0.38 0.00 4.80 3.64 -1.52 -3.33 116.57 120.68 1wyn h LYS 118 Ca 0.65 -0.65 -0.04 0.00 -1.27 0.00 0.00 60.65 59.34 1wyn h LYS 118 Cb 2.21 0.24 -0.01 0.00 -0.41 0.00 0.00 32.23 34.27 1wyn h LYS 118 CO -0.16 1.30 -0.18 0.00 -2.27 0.00 0.00 179.45 178.14 1wyn h ALA 119 N 0.15 1.26 -0.97 5.00 0.00 0.15 -2.83 119.26 122.03 1wyn h ALA 119 Ca -0.34 -0.16 0.21 0.00 0.00 0.00 0.00 54.91 54.62 1wyn h ALA 119 Cb 2.09 -0.03 -0.09 0.00 0.00 0.00 0.00 17.79 19.77 1wyn h ALA 119 CO 0.18 0.22 0.62 0.87 0.00 0.00 0.00 179.25 181.14 1wyn h LYS 120 N 0.00 0.52 -0.66 0.00 1.79 -0.48 0.23 116.57 117.97 1wyn h LYS 120 Ca -0.00 -0.03 0.19 0.00 -2.18 0.00 0.00 60.65 58.63 1wyn h LYS 120 Cb 0.46 -0.12 -0.03 0.00 -1.58 0.00 0.00 32.23 30.96 1wyn h LYS 120 CO 0.02 0.34 0.57 0.00 -1.08 0.00 0.00 179.45 179.31 1wyn h THR 121 N 0.53 0.44 -0.33 -0.16 1.03 -1.71 0.60 112.91 113.31 1wyn h THR 121 Ca 0.53 0.00 -0.14 0.00 -0.01 0.00 0.00 66.41 66.80 1wyn h THR 121 Cb 1.14 0.57 -0.01 0.00 -1.07 0.00 0.00 68.15 68.79 1wyn h THR 121 CO -0.27 0.00 -0.35 0.11 -0.01 0.00 0.00 175.52 175.00 1wyn h LYS 122 N 0.00 0.74 -0.70 0.00 1.79 -0.74 -3.39 116.57 114.27 1wyn h LYS 122 Ca 0.31 -0.36 -0.33 0.00 -2.18 0.00 0.00 60.65 58.09 1wyn h LYS 122 Cb 1.46 -0.00 -0.23 0.00 -1.58 0.00 0.00 32.23 31.87 1wyn h LYS 122 CO -0.00 0.98 -0.71 0.41 -1.08 0.00 0.00 179.45 179.05 1wyn n GLY 123 N -0.02 1.40 3.73 3.86 0.00 0.97 -4.88 105.19 110.25 1wyn n GLY 123 Ca -0.01 -0.53 -0.42 0.00 0.00 0.00 0.00 46.02 45.05 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 0.84 4.13 -4.78 0.99 4.32 0.17 -4.93 117.00 117.73 1wyn n LEU 124 Ca 0.13 1.14 -0.26 0.00 -0.02 0.00 0.00 56.01 57.00 1wyn n LEU 124 Cb 0.65 -1.57 -0.06 0.00 -1.62 0.00 0.00 43.42 40.82 1wyn n LEU 124 CO 0.10 0.06 -0.12 0.00 -1.22 0.00 0.00 177.39 176.20 1wyn s GLN 125 N -0.28 2.24 -0.37 3.23 -2.07 -1.26 -5.02 119.66 116.12 1wyn s GLN 125 Ca 0.66 -1.93 -0.34 0.00 -1.82 0.00 0.00 55.36 51.93 1wyn s GLN 125 Cb -0.52 -1.96 -0.15 0.00 -1.09 0.00 0.00 33.01 29.29 1wyn s GLN 125 CO 0.47 -0.24 1.30 0.43 -1.32 0.00 0.00 175.29 175.93 1wyn n SER 126 N -1.35 0.81 0.00 12.60 7.64 -1.26 -4.63 113.62 127.43 1wyn n SER 126 Ca -0.03 0.78 0.00 0.00 1.01 0.00 0.00 58.87 60.63 1wyn n SER 126 Cb 0.65 -0.66 0.00 0.00 -1.01 0.00 0.00 64.21 63.19 1wyn n SER 126 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1wyn n GLY 127 N 3.70 1.00 3.69 0.23 0.00 -1.26 -5.12 105.19 107.44 1wyn n GLY 127 Ca 0.28 -0.14 -0.42 0.00 0.00 0.00 0.00 46.02 45.74 1wyn n GLY 127 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1wyn s VAL 128 N 0.00 4.86 0.56 1.61 1.01 -1.26 -5.01 120.40 122.17 1wyn s VAL 128 Ca 0.00 1.89 -0.19 0.00 0.00 0.00 0.00 61.98 63.68 1wyn s VAL 128 Cb 0.00 -4.24 -0.07 0.00 0.00 0.00 0.00 36.38 32.06 1wyn s VAL 128 CO 0.00 0.08 0.81 -0.67 0.00 0.00 0.00 175.10 175.32 1wyn n ASP 129 N 4.63 0.18 -0.35 3.32 2.03 -1.26 -4.86 116.55 120.23 1wyn n ASP 129 Ca 0.06 0.82 -0.08 0.00 0.52 0.00 0.00 54.79 56.11 1wyn n ASP 129 Cb 0.50 -1.30 -0.05 0.00 -0.72 0.00 0.00 41.12 39.54 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 0.57 0.01 0.00 5.18 5.03 -1.95 -3.45 117.51 122.90 1wyn h ILE 130 Ca -0.47 0.00 0.00 0.00 -0.12 0.00 0.00 64.86 64.27 1wyn h ILE 130 Cb 1.37 0.01 0.00 0.00 -3.03 0.00 0.00 36.82 35.18 1wyn h ILE 130 CO 0.50 0.00 0.00 0.61 -0.68 0.00 0.00 178.15 178.58 1wyn n GLY 131 N -1.35 2.44 2.97 5.37 0.00 -1.26 -5.16 105.19 108.21 1wyn n GLY 131 Ca 0.04 0.09 -0.24 0.00 0.00 0.00 0.00 46.02 45.91 1wyn n GLY 131 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1wyn s VAL 132 N 0.00 0.95 -0.18 1.61 0.11 -1.26 -5.12 120.40 116.51 1wyn s VAL 132 Ca 0.00 -0.35 -0.12 0.00 -2.93 0.00 0.00 61.98 58.58 1wyn s VAL 132 Cb 0.00 -0.90 0.06 0.00 -1.53 0.00 0.00 36.38 34.00 1wyn s VAL 132 CO 0.00 0.32 0.44 -1.59 -3.33 0.00 0.00 175.10 170.94 1wyn s LYS 133 N 0.87 0.45 0.02 1.54 -2.85 -1.26 -4.52 119.74 113.98 1wyn s LYS 133 Ca -0.11 0.77 -0.19 0.00 -1.00 0.00 0.00 55.97 55.44 1wyn s LYS 133 Cb -0.15 0.07 0.04 0.00 -2.06 0.00 0.00 37.83 35.73 1wyn s LYS 133 CO 0.01 -0.13 0.41 0.71 0.10 0.00 0.00 175.35 176.46 1wyn s TYR 134 N 1.06 -0.29 -0.45 1.78 1.51 -1.26 -5.10 117.35 114.60 1wyn s TYR 134 Ca -0.07 0.35 -0.26 0.00 -1.01 0.00 0.00 57.07 56.08 1wyn s TYR 134 Cb -0.07 0.21 -0.07 0.00 -0.11 0.00 0.00 41.96 41.93 1wyn s TYR 134 CO -0.09 -0.52 2.37 -1.12 -1.11 0.00 0.00 175.55 175.08 1wyn s SER 135 N -1.71 4.59 -0.26 2.29 0.01 -1.26 -4.86 113.70 112.50 1wyn s SER 135 Ca -0.08 1.19 -0.26 0.00 1.31 0.00 0.00 55.95 58.10 1wyn s SER 135 Cb -0.02 -2.50 0.13 0.00 0.21 0.00 0.00 66.02 63.84 1wyn s SER 135 CO 0.01 -2.74 1.09 -0.70 0.41 0.00 0.00 173.24 171.31 1wyn s GLU 136 N 7.97 0.45 -1.11 12.44 2.56 -1.26 -5.09 118.70 134.66 1wyn s GLU 136 Ca 0.98 0.41 -0.20 0.00 0.00 0.00 0.00 54.97 56.16 1wyn s GLU 136 Cb -0.19 0.22 0.08 0.00 2.00 0.00 0.00 34.13 36.24 1wyn s GLU 136 CO 0.27 -0.08 1.48 0.21 -0.56 0.00 0.00 175.26 176.58 1wyn s LYS 137 N -0.14 3.77 -0.27 4.30 2.47 -1.26 -4.89 119.74 123.71 1wyn s LYS 137 Ca 0.03 -1.65 -0.12 0.00 -1.56 0.00 0.00 55.97 52.67 1wyn s LYS 137 Cb -0.04 -5.31 0.10 0.00 -1.46 0.00 0.00 37.83 31.13 1wyn s LYS 137 CO -0.06 -2.10 0.63 -1.14 0.16 0.00 0.00 175.35 172.84 1wyn s GLN 138 N 3.99 0.59 -0.18 4.03 0.74 -1.26 -5.16 119.66 122.41 1wyn s GLN 138 Ca 0.46 1.29 -0.28 0.00 0.05 0.00 0.00 55.36 56.87 1wyn s GLN 138 Cb 0.00 0.50 0.11 0.00 1.10 0.00 0.00 33.01 34.72 1wyn s GLN 138 CO -0.04 -0.18 0.90 -2.00 -0.55 0.00 0.00 175.29 173.42 1wyn s GLU 139 N 2.32 0.71 0.53 1.67 2.56 -1.26 -5.10 118.70 120.13 1wyn s GLU 139 Ca -0.07 0.38 0.09 0.00 0.00 0.00 0.00 54.97 55.37 1wyn s GLU 139 Cb -0.09 0.34 0.06 0.00 2.00 0.00 0.00 34.13 36.44 1wyn s GLU 139 CO -0.18 -0.18 0.71 1.03 -0.56 0.00 0.00 175.26 176.08 1wyn s ARG 140 N -0.63 2.45 -0.02 4.30 1.81 -1.26 -5.14 118.95 120.46 1wyn s ARG 140 Ca -0.03 -1.54 -0.29 0.00 -1.72 0.00 0.00 55.73 52.15 1wyn s ARG 140 Cb -0.02 -2.66 0.10 0.00 -0.45 0.00 0.00 34.95 31.93 1wyn s ARG 140 CO 0.02 -0.68 0.90 -1.54 -0.68 0.00 0.00 175.30 173.32 1wyn s SER 141 N -4.56 -0.36 0.00 0.23 1.04 -1.26 -4.92 113.70 103.87 1wyn s SER 141 Ca 0.59 0.01 0.00 0.00 0.48 0.00 0.00 55.95 57.03 1wyn s SER 141 Cb -0.07 0.37 0.00 0.00 0.10 0.00 0.00 66.02 66.43 1wyn s SER 141 CO 0.37 -0.60 0.00 0.61 0.98 0.00 0.00 173.24 174.60 1wyn n GLY 142 N -0.20 -1.92 3.68 7.32 0.00 -1.26 -4.98 105.19 107.83 1wyn n GLY 142 Ca -0.08 -0.22 -0.42 0.00 0.00 0.00 0.00 46.02 45.29 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 -0.38 4.26 -0.16 1.61 0.04 -1.26 -5.01 135.00 134.10 1wyn s PRO 143 Ca 0.00 2.02 0.00 0.00 0.04 0.00 0.00 61.00 63.06 1wyn s PRO 143 Cb 0.00 -3.63 0.00 0.00 0.04 0.00 0.00 34.50 30.92 1wyn s PRO 143 CO 0.00 -0.63 -0.16 -1.54 0.04 0.00 0.00 177.00 174.71 1wyn s SER 144 N 2.09 3.55 -0.49 6.66 1.04 -1.26 -5.01 113.70 120.28 1wyn s SER 144 Ca 0.65 -0.51 0.03 0.00 0.48 0.00 0.00 55.95 56.60 1wyn s SER 144 Cb -0.32 -1.55 0.44 0.00 0.10 0.00 0.00 66.02 64.69 1wyn s SER 144 CO 0.27 0.06 1.55 -0.24 0.98 0.00 0.00 173.24 175.86 1wyn n SER 145 N 4.22 6.11 0.00 7.02 2.88 -1.26 -4.89 113.62 127.70 1wyn n SER 145 Ca -0.19 -3.77 0.00 0.00 -1.33 0.00 0.00 58.87 53.58 1wyn n SER 145 Cb 0.51 -0.64 0.00 0.00 -0.75 0.00 0.00 64.21 63.33 1wyn n SER 145 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42