#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 5.94 -4.79 1.61 2.88 -1.26 -4.92 113.62 113.07 1wyn n SER 2 Ca 0.00 -2.78 -0.36 0.00 -1.33 0.00 0.00 58.87 54.39 1wyn n SER 2 Cb 0.00 -1.14 -0.06 0.00 -0.75 0.00 0.00 64.21 62.25 1wyn n SER 2 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 1wyn s SER 3 N 1.05 7.25 -0.35 -3.46 0.01 -1.26 -5.01 113.70 111.92 1wyn s SER 3 Ca 0.27 1.73 0.14 0.00 1.31 0.00 0.00 55.95 59.40 1wyn s SER 3 Cb 0.18 -2.54 0.40 0.00 0.21 0.00 0.00 66.02 64.27 1wyn s SER 3 CO -0.03 -0.07 0.86 0.61 0.41 0.00 0.00 173.24 175.03 1wyn n GLY 4 N 0.50 2.51 3.21 3.44 0.00 -1.26 -5.06 105.19 108.53 1wyn n GLY 4 Ca 0.01 -1.40 -0.37 0.00 0.00 0.00 0.00 46.02 44.26 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 -2.65 5.25 0.35 1.61 0.01 -1.26 -5.09 113.70 111.93 1wyn s SER 5 Ca 0.33 -1.45 -0.02 0.00 1.31 0.00 0.00 55.95 56.12 1wyn s SER 5 Cb 0.40 -1.84 -0.04 0.00 0.21 0.00 0.00 66.02 64.75 1wyn s SER 5 CO -0.03 -0.40 0.59 -0.44 0.41 0.00 0.00 173.24 173.38 1wyn s SER 6 N 1.60 6.33 -0.07 2.44 0.01 -1.26 -5.10 113.70 117.65 1wyn s SER 6 Ca 0.01 0.61 0.01 0.00 1.31 0.00 0.00 55.95 57.89 1wyn s SER 6 Cb -0.21 -2.10 -0.03 0.00 0.21 0.00 0.00 66.02 63.89 1wyn s SER 6 CO 0.00 -0.32 -0.08 -0.83 0.41 0.00 0.00 173.24 172.43 1wyn s GLY 7 N -3.80 1.68 0.02 3.44 0.00 -1.26 -5.04 107.32 102.36 1wyn s GLY 7 Ca 0.42 -0.90 -0.26 0.00 0.00 0.00 0.00 44.72 43.98 1wyn s GLY 7 CO 0.36 -0.68 1.24 3.45 0.00 0.00 0.00 173.10 177.47 1wyn h ASN 8 N 5.25 -0.54 -2.05 1.64 7.08 -2.06 -3.39 115.58 121.51 1wyn h ASN 8 Ca -0.49 -0.08 -0.56 0.00 -3.08 0.00 0.00 56.30 52.10 1wyn h ASN 8 Cb 1.17 0.14 -0.40 0.00 -2.08 0.00 0.00 38.32 37.15 1wyn h ASN 8 CO 0.52 -0.19 -0.99 -1.14 -2.08 0.00 0.00 177.43 173.54 1wyn n ARG 9 N -5.26 1.25 -3.83 4.14 3.00 -1.26 -5.04 116.66 109.67 1wyn n ARG 9 Ca -0.11 -3.63 -0.30 0.00 -0.00 0.00 0.00 57.85 53.81 1wyn n ARG 9 Cb 0.31 -1.55 -0.15 0.00 0.00 0.00 0.00 32.46 31.07 1wyn n ARG 9 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.63 177.12 1wyn s LEU 10 N -1.75 3.11 -0.62 6.15 1.43 -1.26 -4.98 118.68 120.76 1wyn s LEU 10 Ca 0.37 -1.87 -0.01 0.00 -1.03 0.00 0.00 54.13 51.60 1wyn s LEU 10 Cb 0.20 -1.13 0.49 0.00 0.03 0.00 0.00 46.19 45.77 1wyn s LEU 10 CO -0.09 -0.39 2.01 0.18 0.23 0.00 0.00 176.35 178.29 1wyn n LEU 11 N 4.57 7.50 -4.07 1.79 4.77 -1.26 -4.94 117.00 125.37 1wyn n LEU 11 Ca 0.01 -4.13 -0.09 0.00 -0.03 0.00 0.00 56.01 51.76 1wyn n LEU 11 Cb 0.42 -0.95 -0.09 0.00 -2.33 0.00 0.00 43.42 40.46 1wyn n LEU 11 CO 0.16 1.38 -0.20 -0.94 -1.33 0.00 0.00 177.39 176.46 1wyn s SER 12 N -1.68 0.22 -0.23 -1.43 1.04 -1.26 -5.04 113.70 105.32 1wyn s SER 12 Ca 0.63 -1.05 0.00 0.00 0.48 0.00 0.00 55.95 56.01 1wyn s SER 12 Cb 0.50 0.34 0.21 0.00 0.10 0.00 0.00 66.02 67.16 1wyn s SER 12 CO 0.01 -0.77 1.78 1.17 0.98 0.00 0.00 173.24 176.40 1wyn n LYS 13 N -0.12 1.59 -3.35 4.02 3.00 -1.26 -4.88 118.16 117.17 1wyn n LYS 13 Ca -0.07 -1.23 -0.39 0.00 -0.00 0.00 0.00 58.31 56.61 1wyn n LYS 13 Cb 0.63 -1.48 -0.08 0.00 0.00 0.00 0.00 35.03 34.09 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 -1.41 3.28 0.01 5.64 6.14 -1.26 -4.86 117.35 124.89 1wyn s TYR 14 Ca 0.24 0.51 0.04 0.00 0.64 0.00 0.00 57.07 58.50 1wyn s TYR 14 Cb 0.19 -2.60 -0.01 0.00 0.42 0.00 0.00 41.96 39.95 1wyn s TYR 14 CO 0.01 -0.20 -0.11 0.34 0.64 0.00 0.00 175.55 176.23 1wyn s ASP 15 N 1.50 1.33 0.49 4.32 2.15 -1.26 -5.03 116.67 120.17 1wyn s ASP 15 Ca 0.17 -0.30 0.32 0.00 0.43 0.00 0.00 52.55 53.17 1wyn s ASP 15 Cb -0.16 -0.11 1.32 0.00 -0.30 0.00 0.00 42.92 43.68 1wyn s ASP 15 CO 0.09 0.07 1.94 1.55 -0.17 0.00 0.00 175.17 178.65 1wyn h PRO 16 N 5.47 0.00 0.03 4.34 0.13 -2.02 -2.96 132.00 136.99 1wyn h PRO 16 Ca -0.34 0.00 -0.35 0.00 -0.87 0.00 0.00 66.00 64.44 1wyn h PRO 16 Cb 1.18 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 32.26 1wyn h PRO 16 CO 0.47 0.00 -2.09 0.00 -0.23 0.00 0.00 178.00 176.15 1wyn n GLN 17 N -2.91 0.68 -0.20 0.86 -0.00 -1.26 -4.32 117.38 110.24 1wyn n GLN 17 Ca 0.01 0.19 -0.07 0.00 -0.00 0.00 0.00 57.00 57.13 1wyn n GLN 17 Cb 0.28 -1.66 0.03 0.00 -0.00 0.00 0.00 30.24 28.89 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 0.02 0.77 -0.95 2.61 1.79 -1.95 -2.75 116.57 116.11 1wyn h LYS 18 Ca -0.44 -0.08 0.28 0.00 -2.18 0.00 0.00 60.65 58.23 1wyn h LYS 18 Cb 2.05 -0.16 -0.17 0.00 -1.58 0.00 0.00 32.23 32.38 1wyn h LYS 18 CO 0.04 0.57 0.15 1.49 -1.08 0.00 0.00 179.45 180.62 1wyn h GLU 19 N 0.75 0.06 -0.47 3.15 4.81 -1.71 1.16 114.58 122.34 1wyn h GLU 19 Ca 0.20 -0.00 -0.06 0.00 -0.13 0.00 0.00 59.36 59.37 1wyn h GLU 19 Cb 0.01 -0.01 -0.02 0.00 0.63 0.00 0.00 28.75 29.36 1wyn h GLU 19 CO -0.03 0.04 0.06 0.00 -0.73 0.00 0.00 179.01 178.35 1wyn h ALA 20 N 1.92 1.22 -0.16 2.92 0.00 -1.71 -2.62 119.26 120.84 1wyn h ALA 20 Ca 0.61 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 55.31 1wyn h ALA 20 Cb 1.32 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.91 1wyn h ALA 20 CO -0.82 0.52 0.10 0.93 0.00 0.00 0.00 179.25 179.98 1wyn h GLU 21 N 0.71 0.21 0.52 0.00 5.08 0.14 0.12 114.58 121.34 1wyn h GLU 21 Ca 0.15 -0.01 -0.03 0.00 -1.00 0.00 0.00 59.36 58.47 1wyn h GLU 21 Cb 0.35 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.55 1wyn h GLU 21 CO 0.01 0.15 -0.25 -0.07 -1.00 0.00 0.00 179.01 177.84 1wyn h LEU 22 N 0.20 -0.60 -1.10 1.33 3.38 -1.20 0.34 115.31 117.66 1wyn h LEU 22 Ca 0.06 0.02 0.21 0.00 0.09 0.00 0.00 57.88 58.26 1wyn h LEU 22 Cb -0.01 0.15 -0.10 0.00 0.09 0.00 0.00 40.66 40.79 1wyn h LEU 22 CO -0.01 -0.42 0.62 0.08 0.09 0.00 0.00 178.44 178.79 1wyn h ARG 23 N -0.70 0.63 -0.01 1.13 0.11 -1.50 0.56 114.38 114.60 1wyn h ARG 23 Ca -0.07 -0.04 -0.12 0.00 0.10 0.00 0.00 59.98 59.85 1wyn h ARG 23 Cb 0.54 -0.14 -0.02 0.00 1.11 0.00 0.00 29.97 31.46 1wyn h ARG 23 CO 0.12 0.42 -0.56 1.15 0.10 0.00 0.00 179.97 181.19 1wyn h THR 24 N 0.65 1.40 0.02 0.08 2.02 -0.59 0.30 112.91 116.79 1wyn h THR 24 Ca 0.58 -1.92 -0.23 0.00 0.77 0.00 0.00 66.41 65.61 1wyn h THR 24 Cb 1.07 2.03 -0.03 0.00 -1.74 0.00 0.00 68.15 69.48 1wyn h THR 24 CO -0.37 0.55 -1.16 -0.25 0.37 0.00 0.00 175.52 174.66 1wyn h TRP 25 N 0.01 0.07 0.11 3.16 7.01 0.38 -3.22 115.95 123.48 1wyn h TRP 25 Ca -0.01 -0.05 -0.23 0.00 2.11 0.00 0.00 58.89 60.71 1wyn h TRP 25 Cb 0.99 -0.00 0.00 0.00 -2.10 0.00 0.00 29.16 28.05 1wyn h TRP 25 CO 0.00 1.05 -1.15 0.82 -2.79 0.00 0.00 178.44 176.37 1wyn h ILE 26 N 0.01 1.20 -0.90 2.65 2.04 -0.01 -3.05 117.51 119.46 1wyn h ILE 26 Ca -0.08 -2.42 0.14 0.00 1.00 0.00 0.00 64.86 63.51 1wyn h ILE 26 Cb 1.84 2.86 -0.07 0.00 -0.74 0.00 0.00 36.82 40.71 1wyn h ILE 26 CO 0.13 0.67 0.58 -0.33 0.00 0.00 0.00 178.15 179.20 1wyn h GLU 27 N -0.42 0.68 0.05 2.37 5.08 -0.54 -0.86 114.58 120.94 1wyn h GLU 27 Ca -0.24 -0.04 -0.23 0.00 -1.00 0.00 0.00 59.36 57.85 1wyn h GLU 27 Cb 1.65 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 30.74 1wyn h GLU 27 CO 0.06 0.45 -1.03 0.78 -1.00 0.00 0.00 179.01 178.28 1wyn h GLY 28 N 0.71 0.27 0.51 -3.84 0.00 -1.68 0.22 103.07 99.25 1wyn h GLY 28 Ca 0.45 -0.56 -0.03 0.00 0.00 0.00 0.00 47.33 47.20 1wyn h GLY 28 CO -0.21 0.49 -0.25 1.41 0.00 0.00 0.00 176.54 177.98 1wyn h LEU 29 N 0.10 -0.58 -0.23 3.11 3.38 -1.07 -3.29 115.31 116.73 1wyn h LEU 29 Ca -0.08 0.02 -0.16 0.00 0.09 0.00 0.00 57.88 57.75 1wyn h LEU 29 Cb 1.71 0.15 -0.02 0.00 0.09 0.00 0.00 40.66 42.59 1wyn h LEU 29 CO 0.16 -0.36 -0.77 0.71 0.09 0.00 0.00 178.44 178.27 1wyn h THR 30 N -0.80 1.42 0.00 0.22 1.35 -1.46 -3.48 112.91 110.15 1wyn h THR 30 Ca -0.07 -2.76 0.00 0.00 -0.55 0.00 0.00 66.41 63.03 1wyn h THR 30 Cb 0.53 2.55 0.00 0.00 -1.73 0.00 0.00 68.15 69.49 1wyn h THR 30 CO 0.12 0.75 0.00 0.61 -0.25 0.00 0.00 175.52 176.75 1wyn n GLY 31 N 1.01 0.41 3.96 5.82 0.00 0.75 -5.06 105.19 112.10 1wyn n GLY 31 Ca 0.00 -0.97 -0.24 0.00 0.00 0.00 0.00 46.02 44.82 1wyn n GLY 31 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1wyn s LEU 32 N 0.00 2.83 -0.22 0.99 1.43 -1.14 -4.99 118.68 117.58 1wyn s LEU 32 Ca 0.00 -1.10 -0.02 0.00 -1.03 0.00 0.00 54.13 51.98 1wyn s LEU 32 Cb 0.00 -1.33 0.01 0.00 0.03 0.00 0.00 46.19 44.91 1wyn s LEU 32 CO 0.00 -1.24 -0.08 -0.94 0.23 0.00 0.00 176.35 174.31 1wyn s SER 33 N -4.47 4.04 0.16 2.29 1.04 -1.26 -4.64 113.70 110.87 1wyn s SER 33 Ca 0.46 -0.63 -0.10 0.00 0.48 0.00 0.00 55.95 56.15 1wyn s SER 33 Cb -0.04 -1.65 0.01 0.00 0.10 0.00 0.00 66.02 64.45 1wyn s SER 33 CO 0.29 -0.06 1.56 0.40 0.98 0.00 0.00 173.24 176.41 1wyn h ILE 34 N 5.92 1.27 0.00 -1.02 2.04 -1.94 -3.50 117.51 120.28 1wyn h ILE 34 Ca -0.39 -1.33 0.00 0.00 1.00 0.00 0.00 64.86 64.14 1wyn h ILE 34 Cb 1.14 1.07 0.00 0.00 -0.74 0.00 0.00 36.82 38.28 1wyn h ILE 34 CO 0.60 0.46 0.00 0.61 0.00 0.00 0.00 178.15 179.83 1wyn n GLY 35 N -0.17 -1.28 0.00 5.37 0.00 -1.26 -3.74 105.19 104.11 1wyn n GLY 35 Ca 0.01 -2.23 0.07 0.00 0.00 0.00 0.00 46.02 43.86 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 -0.45 0.05 -3.86 1.61 -0.04 -1.26 -4.54 135.00 126.50 1wyn n PRO 36 Ca 0.00 0.23 -0.24 0.00 -0.04 0.00 0.00 63.50 63.45 1wyn n PRO 36 Cb 0.00 -1.50 -0.17 0.00 -0.04 0.00 0.00 33.50 31.79 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 -2.91 1.70 0.02 3.54 1.11 -1.26 -5.05 116.67 113.82 1wyn s ASP 37 Ca 0.08 -0.16 -0.23 0.00 0.18 0.00 0.00 52.55 52.43 1wyn s ASP 37 Cb 0.09 -0.57 -0.13 0.00 1.07 0.00 0.00 42.92 43.39 1wyn s ASP 37 CO 0.25 -0.15 1.11 0.15 1.18 0.00 0.00 175.17 177.71 1wyn h PHE 38 N 8.15 -0.77 -0.81 4.23 3.57 -1.88 0.21 116.94 129.65 1wyn h PHE 38 Ca -0.25 -0.02 0.16 0.00 3.53 0.00 0.00 57.97 61.39 1wyn h PHE 38 Cb 1.13 0.25 -0.15 0.00 2.79 0.00 0.00 35.95 39.97 1wyn h PHE 38 CO 0.48 -0.48 -0.22 0.37 -2.23 0.00 0.00 178.31 176.24 1wyn h GLN 39 N -1.01 -0.01 0.62 1.11 -0.00 -1.96 -1.31 115.11 112.55 1wyn h GLN 39 Ca -0.08 0.00 -0.03 0.00 -0.00 0.00 0.00 58.65 58.54 1wyn h GLN 39 Cb 0.63 0.00 0.01 0.00 0.00 0.00 0.00 27.48 28.12 1wyn h GLN 39 CO 0.14 -0.01 -0.30 0.87 0.00 0.00 0.00 178.83 179.53 1wyn h LYS 40 N -0.01 -0.81 -1.13 1.69 1.57 -1.89 0.94 116.57 116.94 1wyn h LYS 40 Ca 0.38 0.05 0.40 0.00 -1.87 0.00 0.00 60.65 59.62 1wyn h LYS 40 Cb 0.59 0.18 -0.12 0.00 0.08 0.00 0.00 32.23 32.96 1wyn h LYS 40 CO -0.83 -0.54 0.71 0.41 -0.57 0.00 0.00 179.45 178.63 1wyn n GLY 41 N -0.61 -0.71 0.09 3.86 0.00 0.73 0.14 105.19 108.70 1wyn n GLY 41 Ca -0.10 0.66 -0.10 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 -4.49 0.34 0.00 0.99 4.77 -0.56 -4.43 117.00 113.62 1wyn n LEU 42 Ca 0.34 0.15 0.00 0.00 -0.03 0.00 0.00 56.01 56.47 1wyn n LEU 42 Cb 1.30 0.37 0.00 0.00 -2.33 0.00 0.00 43.42 42.76 1wyn n LEU 42 CO 0.13 0.46 0.38 1.17 -1.33 0.00 0.00 177.39 178.21 1wyn n LYS 43 N -2.86 0.00 -0.46 3.23 4.81 0.38 0.18 118.16 123.44 1wyn n LYS 43 Ca -0.27 0.77 0.39 0.00 -0.87 0.00 0.00 58.31 58.32 1wyn n LYS 43 Cb 1.12 -1.17 0.71 0.00 0.02 0.00 0.00 35.03 35.70 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 0.14 -1.24 3.14 3.04 -1.80 -3.41 116.42 116.29 1wyn h ASP 44 Ca 0.00 0.05 0.00 0.00 -3.24 0.00 0.00 57.03 53.84 1wyn h ASP 44 Cb 0.00 0.04 0.00 0.00 -1.04 0.00 0.00 39.33 38.33 1wyn h ASP 44 CO 0.00 -0.04 0.00 0.61 -2.04 0.00 0.00 179.24 177.77 1wyn n GLY 45 N -1.69 0.70 0.09 7.15 0.00 0.49 -4.39 105.19 107.53 1wyn n GLY 45 Ca 0.34 -0.47 -0.14 0.00 0.00 0.00 0.00 46.02 45.75 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 -1.39 1.48 -0.01 2.61 -2.24 -1.26 -4.37 114.28 109.11 1wyn n THR 46 Ca 0.00 0.05 -0.12 0.00 -2.27 0.00 0.00 64.05 61.71 1wyn n THR 46 Cb 0.41 -2.20 -0.09 0.00 -2.10 0.00 0.00 70.33 66.34 1wyn n THR 46 CO 0.00 0.00 0.00 0.40 -0.57 0.00 0.00 175.07 174.90 1wyn h ILE 47 N -1.00 1.21 -0.72 2.28 2.04 -1.90 -3.28 117.51 116.15 1wyn h ILE 47 Ca -0.21 -1.50 0.30 0.00 1.00 0.00 0.00 64.86 64.45 1wyn h ILE 47 Cb 0.99 2.11 -0.13 0.00 -0.74 0.00 0.00 36.82 39.05 1wyn h ILE 47 CO -0.13 0.34 0.39 0.18 0.00 0.00 0.00 178.15 178.94 1wyn n LEU 48 N -4.80 0.25 0.30 1.44 4.77 -1.26 0.32 117.00 118.01 1wyn n LEU 48 Ca -0.08 1.17 -0.12 0.00 -0.03 0.00 0.00 56.01 56.95 1wyn n LEU 48 Cb 0.31 -0.57 -0.06 0.00 -2.33 0.00 0.00 43.42 40.77 1wyn n LEU 48 CO 0.28 -1.31 0.37 0.00 -1.33 0.00 0.00 177.39 175.40 1wyn h THR 50 N -1.04 0.70 -0.63 0.00 1.35 -0.21 -1.22 112.91 111.86 1wyn h THR 50 Ca -0.08 -0.20 0.13 0.00 -0.55 0.00 0.00 66.41 65.71 1wyn h THR 50 Cb 0.60 0.07 -0.11 0.00 -1.73 0.00 0.00 68.15 66.98 1wyn h THR 50 CO 0.13 0.11 -0.07 0.25 -0.25 0.00 0.00 175.52 175.68 1wyn h LEU 51 N 0.58 -0.43 -0.11 3.87 5.85 -0.83 -1.08 115.31 123.16 1wyn h LEU 51 Ca 0.46 0.17 -0.02 0.00 0.84 0.00 0.00 57.88 59.34 1wyn h LEU 51 Cb 0.67 0.33 -0.00 0.00 0.37 0.00 0.00 40.66 42.03 1wyn h LEU 51 CO -0.38 -0.17 0.01 -0.03 -0.34 0.00 0.00 178.44 177.54 1wyn h MET 52 N 0.06 0.19 -1.06 1.25 4.05 -1.15 -2.90 114.93 115.37 1wyn h MET 52 Ca 0.32 -0.06 0.28 0.00 -0.28 0.00 0.00 59.70 59.97 1wyn h MET 52 Cb 0.52 -0.02 -0.11 0.00 -0.80 0.00 0.00 31.60 31.19 1wyn h MET 52 CO -0.60 0.41 0.67 -0.91 0.23 0.00 0.00 176.91 176.71 1wyn h ASN 53 N -0.06 0.48 -0.05 1.39 2.35 -0.63 0.30 115.58 119.37 1wyn h ASN 53 Ca 0.03 0.10 -0.00 0.00 -0.55 0.00 0.00 56.30 55.89 1wyn h ASN 53 Cb 0.32 0.03 -0.00 0.00 0.05 0.00 0.00 38.32 38.72 1wyn h ASN 53 CO 0.00 0.05 0.02 0.11 -1.65 0.00 0.00 177.43 175.97 1wyn h LYS 54 N 0.40 0.07 0.15 0.81 1.79 -1.04 -3.24 116.57 115.50 1wyn h LYS 54 Ca 0.63 -0.01 -0.01 0.00 -2.18 0.00 0.00 60.65 59.09 1wyn h LYS 54 Cb 1.56 -0.01 0.00 0.00 -1.58 0.00 0.00 32.23 32.20 1wyn h LYS 54 CO -0.36 0.17 -0.07 -0.07 -1.08 0.00 0.00 179.45 178.04 1wyn h LEU 55 N -0.06 -0.17 -8.71 2.94 3.38 -0.84 -3.43 115.31 108.44 1wyn h LEU 55 Ca 0.02 -0.31 -0.64 0.00 0.09 0.00 0.00 57.88 57.03 1wyn h LEU 55 Cb 0.13 0.04 -0.23 0.00 0.09 0.00 0.00 40.66 40.69 1wyn h LEU 55 CO -0.00 0.25 -0.67 -1.58 0.09 0.00 0.00 178.44 176.53 1wyn s GLN 56 N -4.41 3.61 0.00 1.13 0.74 0.82 -4.97 119.66 116.58 1wyn s GLN 56 Ca -0.15 -0.53 0.11 0.00 0.05 0.00 0.00 55.36 54.84 1wyn s GLN 56 Cb 0.02 -3.03 0.65 0.00 1.10 0.00 0.00 33.01 31.76 1wyn s GLN 56 CO 0.59 0.05 1.09 -0.35 -0.55 0.00 0.00 175.29 176.12 1wyn n PRO 57 N 4.11 0.49 -2.91 1.67 -0.04 -1.25 -3.53 135.00 133.54 1wyn n PRO 57 Ca -0.17 0.00 -0.13 0.00 -0.04 0.00 0.00 63.50 63.16 1wyn n PRO 57 Cb 0.52 -1.35 0.04 0.00 -0.04 0.00 0.00 33.50 32.67 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 1.74 0.48 0.55 0.00 -1.26 -4.98 105.19 101.69 1wyn n GLY 58 Ca 0.08 -0.64 -0.06 0.00 0.00 0.00 0.00 46.02 45.41 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 0.39 1.59 -4.19 1.61 3.41 -1.23 -5.00 113.62 110.20 1wyn n SER 59 Ca 0.13 0.25 -0.33 0.00 -0.26 0.00 0.00 58.87 58.66 1wyn n SER 59 Cb 0.68 -0.57 -0.16 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 -2.53 2.43 -0.02 -3.33 1.01 -1.26 -4.78 120.40 111.92 1wyn s VAL 60 Ca -0.17 -0.83 -0.25 0.00 0.00 0.00 0.00 61.98 60.73 1wyn s VAL 60 Cb 0.03 -2.04 -0.19 0.00 0.00 0.00 0.00 36.38 34.17 1wyn s VAL 60 CO 0.26 0.51 1.22 1.55 0.00 0.00 0.00 175.10 178.64 1wyn h PRO 61 N 7.75 -0.07 -3.86 2.72 0.13 -1.99 -3.48 132.00 133.21 1wyn h PRO 61 Ca -0.40 0.00 -0.09 0.00 -0.87 0.00 0.00 66.00 64.64 1wyn h PRO 61 Cb 1.16 0.02 -0.14 0.00 0.13 0.00 0.00 31.00 32.17 1wyn h PRO 61 CO 0.61 0.39 -0.41 0.21 -0.23 0.00 0.00 178.00 178.57 1wyn s LYS 62 N -4.21 0.82 -0.06 0.86 2.20 -1.26 -5.17 119.74 112.93 1wyn s LYS 62 Ca -0.15 -0.99 0.05 0.00 -0.36 0.00 0.00 55.97 54.51 1wyn s LYS 62 Cb 0.02 0.33 -0.02 0.00 -1.51 0.00 0.00 37.83 36.64 1wyn s LYS 62 CO 0.64 -0.25 -0.19 0.42 -0.36 0.00 0.00 175.35 175.61 1wyn s ILE 63 N -3.87 2.60 0.02 5.43 1.01 -1.26 -5.01 121.20 120.13 1wyn s ILE 63 Ca 0.05 -0.88 -0.20 0.00 0.00 0.00 0.00 60.65 59.62 1wyn s ILE 63 Cb 0.05 -1.99 -0.11 0.00 0.01 0.00 0.00 42.46 40.42 1wyn s ILE 63 CO -0.11 0.58 1.17 0.78 0.00 0.00 0.00 174.94 177.36 1wyn h ASN 64 N 5.73 -0.61 -2.62 3.58 2.35 -1.87 -3.46 115.58 118.68 1wyn h ASN 64 Ca -0.39 0.02 -0.27 0.00 -0.55 0.00 0.00 56.30 55.10 1wyn h ASN 64 Cb 1.16 0.16 -0.06 0.00 0.05 0.00 0.00 38.32 39.63 1wyn h ASN 64 CO 0.49 -0.40 -0.30 -1.14 -1.65 0.00 0.00 177.43 174.43 1wyn n ARG 65 N -4.17 -1.75 -3.17 0.81 0.63 -1.26 -4.93 116.66 102.82 1wyn n ARG 65 Ca -0.09 0.72 -0.20 0.00 -0.92 0.00 0.00 57.85 57.36 1wyn n ARG 65 Cb 0.29 -5.16 0.04 0.00 0.45 0.00 0.00 32.46 28.07 1wyn n ARG 65 CO 0.00 0.00 0.00 0.43 -2.51 0.00 0.00 177.63 175.55 1wyn n SER 66 N -1.23 2.23 0.05 6.15 7.64 -1.26 -5.05 113.62 122.15 1wyn n SER 66 Ca -0.15 -2.55 -0.14 0.00 1.01 0.00 0.00 58.87 57.04 1wyn n SER 66 Cb 0.54 -0.24 -0.14 0.00 -1.01 0.00 0.00 64.21 63.36 1wyn n SER 66 CO 0.00 0.00 0.00 -0.03 -3.01 0.00 0.00 175.04 172.00 1wyn h MET 67 N 0.00 0.16 -6.14 1.43 4.05 -2.01 -3.44 114.93 108.99 1wyn h MET 67 Ca -0.28 -0.28 -0.75 0.00 -0.28 0.00 0.00 59.70 58.11 1wyn h MET 67 Cb 1.16 0.10 0.03 0.00 -0.80 0.00 0.00 31.60 32.09 1wyn h MET 67 CO 0.42 1.00 0.59 1.04 0.23 0.00 0.00 176.91 180.18 1wyn n GLN 68 N -3.37 0.77 0.28 0.39 6.02 -1.26 -4.86 117.38 115.35 1wyn n GLN 68 Ca -0.13 0.28 -0.17 0.00 -0.01 0.00 0.00 57.00 56.97 1wyn n GLN 68 Cb 1.02 -1.89 -0.08 0.00 1.02 0.00 0.00 30.24 30.31 1wyn n GLN 68 CO 0.00 0.00 0.00 -0.91 -1.01 0.00 0.00 177.06 175.14 1wyn h ASN 69 N 5.32 -1.06 -1.02 1.08 4.21 -2.01 -2.10 115.58 120.01 1wyn h ASN 69 Ca -0.47 0.08 0.25 0.00 1.21 0.00 0.00 56.30 57.37 1wyn h ASN 69 Cb 1.35 0.34 -0.11 0.00 -1.12 0.00 0.00 38.32 38.78 1wyn h ASN 69 CO 0.86 -0.57 0.63 4.11 -1.29 0.00 0.00 177.43 181.17 1wyn h TRP 70 N -0.87 0.85 -0.29 1.19 0.09 -2.00 0.79 115.95 115.71 1wyn h TRP 70 Ca -0.05 0.03 -0.00 0.00 0.09 0.00 0.00 58.89 58.96 1wyn h TRP 70 Cb 0.75 -0.25 -0.01 0.00 0.08 0.00 0.00 29.16 29.73 1wyn h TRP 70 CO -0.18 0.08 0.17 0.45 0.09 0.00 0.00 178.44 179.05 1wyn h HIS 71 N 0.51 0.39 -0.78 0.12 3.86 -1.76 -2.28 115.15 115.22 1wyn h HIS 71 Ca 0.62 -0.00 0.06 0.00 -1.16 0.00 0.00 60.37 59.88 1wyn h HIS 71 Cb 1.34 -0.13 -0.05 0.00 1.06 0.00 0.00 27.41 29.63 1wyn h HIS 71 CO -0.00 0.30 0.51 1.96 0.86 0.00 0.00 177.93 181.56 1wyn h GLN 72 N 0.37 0.83 0.37 2.45 4.20 -0.29 -2.70 115.11 120.33 1wyn h GLN 72 Ca 0.10 -0.05 -0.02 0.00 0.06 0.00 0.00 58.65 58.75 1wyn h GLN 72 Cb 0.03 -0.19 0.00 0.00 0.30 0.00 0.00 27.48 27.63 1wyn h GLN 72 CO -0.02 0.55 -0.18 -0.07 -0.67 0.00 0.00 178.83 178.45 1wyn h LEU 73 N 0.86 -0.42 -0.98 1.46 -0.00 -0.98 -3.02 115.31 112.23 1wyn h LEU 73 Ca 0.33 -0.09 0.30 0.00 -0.00 0.00 0.00 57.88 58.42 1wyn h LEU 73 Cb 0.21 0.11 -0.18 0.00 -0.00 0.00 0.00 40.66 40.80 1wyn h LEU 73 CO -0.11 -0.15 0.16 -0.08 -0.00 0.00 0.00 178.44 178.25 1wyn h GLU 74 N -0.68 0.03 -0.60 1.13 4.81 -1.09 0.27 114.58 118.46 1wyn h GLU 74 Ca -0.05 -0.00 0.11 0.00 -0.13 0.00 0.00 59.36 59.29 1wyn h GLU 74 Cb 0.48 -0.01 -0.12 0.00 0.63 0.00 0.00 28.75 29.74 1wyn h GLU 74 CO 0.08 0.02 -0.31 -0.91 -0.73 0.00 0.00 179.01 177.17 1wyn h ASN 75 N 0.03 -1.07 -0.16 1.04 2.35 -1.44 0.22 115.58 116.54 1wyn h ASN 75 Ca 0.64 0.22 -0.01 0.00 -0.55 0.00 0.00 56.30 56.60 1wyn h ASN 75 Cb 1.42 0.55 -0.01 0.00 0.05 0.00 0.00 38.32 40.33 1wyn h ASN 75 CO -0.86 -0.29 0.06 -0.07 -1.65 0.00 0.00 177.43 174.61 1wyn h LEU 76 N -0.14 0.24 -1.05 1.61 3.38 -0.59 -0.43 115.31 118.34 1wyn h LEU 76 Ca 0.24 -0.19 0.17 0.00 0.09 0.00 0.00 57.88 58.19 1wyn h LEU 76 Cb 0.54 -0.06 -0.10 0.00 0.09 0.00 0.00 40.66 41.13 1wyn h LEU 76 CO -0.68 0.37 0.62 0.28 0.09 0.00 0.00 178.44 179.12 1wyn h SER 77 N 0.09 0.81 -0.03 -0.43 0.02 -0.53 0.25 113.55 113.73 1wyn h SER 77 Ca 0.05 0.08 -0.06 0.00 -0.84 0.00 0.00 61.79 61.02 1wyn h SER 77 Cb 0.21 -0.08 0.00 0.00 0.14 0.00 0.00 62.40 62.68 1wyn h SER 77 CO -0.00 0.34 -0.22 0.78 -1.14 0.00 0.00 176.83 176.59 1wyn h ASN 78 N 0.82 0.25 -0.60 3.07 2.35 -0.38 -2.82 115.58 118.27 1wyn h ASN 78 Ca 0.54 -0.69 0.04 0.00 -0.55 0.00 0.00 56.30 55.64 1wyn h ASN 78 Cb 0.77 -0.07 -0.03 0.00 0.05 0.00 0.00 38.32 39.04 1wyn h ASN 78 CO -0.33 0.90 0.40 0.15 -1.65 0.00 0.00 177.43 176.90 1wyn h PHE 79 N -0.39 0.67 0.25 1.19 3.57 -0.26 -1.46 116.94 120.51 1wyn h PHE 79 Ca -0.02 0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.48 1wyn h PHE 79 Cb 0.91 -0.22 0.00 0.00 2.79 0.00 0.00 35.95 39.43 1wyn h PHE 79 CO 0.15 0.39 -0.12 0.82 -2.23 0.00 0.00 178.31 177.32 1wyn h ILE 80 N 0.69 0.00 -1.14 1.41 2.04 -0.57 -2.88 117.51 117.05 1wyn h ILE 80 Ca 0.24 -0.12 0.32 0.00 1.00 0.00 0.00 64.86 66.30 1wyn h ILE 80 Cb 0.10 0.00 -0.06 0.00 -0.74 0.00 0.00 36.82 36.12 1wyn h ILE 80 CO -0.07 0.00 0.80 0.07 0.00 0.00 0.00 178.15 178.95 1wyn h LYS 81 N -0.45 0.10 -0.73 2.37 2.10 -1.45 0.47 116.57 118.99 1wyn h LYS 81 Ca -0.03 -0.01 -0.04 0.00 -2.00 0.00 0.00 60.65 58.57 1wyn h LYS 81 Cb 0.25 -0.02 -0.03 0.00 -0.90 0.00 0.00 32.23 31.53 1wyn h LYS 81 CO 0.06 0.07 0.28 0.00 -2.00 0.00 0.00 179.45 177.85 1wyn h ALA 82 N 1.47 1.12 -0.25 0.07 0.00 -1.22 -2.93 119.26 117.52 1wyn h ALA 82 Ca 0.58 -0.19 -0.02 0.00 0.00 0.00 0.00 54.91 55.28 1wyn h ALA 82 Cb 2.06 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 19.55 1wyn h ALA 82 CO -0.10 0.62 0.09 0.52 0.00 0.00 0.00 179.25 180.39 1wyn h MET 83 N 1.06 0.39 -0.96 0.00 2.86 0.17 -2.83 114.93 115.61 1wyn h MET 83 Ca 0.24 -0.08 0.29 0.00 -2.06 0.00 0.00 59.70 58.10 1wyn h MET 83 Cb 0.21 -0.06 -0.15 0.00 0.06 0.00 0.00 31.60 31.67 1wyn h MET 83 CO -0.02 0.45 0.45 0.28 1.06 0.00 0.00 176.91 179.12 1wyn h VAL 84 N 0.25 0.29 -0.24 -2.22 2.07 -1.34 0.25 116.25 115.31 1wyn h VAL 84 Ca 0.08 -0.09 -0.08 0.00 0.82 0.00 0.00 66.70 67.43 1wyn h VAL 84 Cb 0.22 -0.01 -0.01 0.00 -1.52 0.00 0.00 31.29 29.97 1wyn h VAL 84 CO -0.00 0.05 -0.15 -1.28 0.02 0.00 0.00 177.57 176.21 1wyn h SER 85 N 0.28 0.55 -0.89 0.57 0.87 -1.51 -3.14 113.55 110.27 1wyn h SER 85 Ca 0.67 -0.43 0.24 0.00 -1.23 0.00 0.00 61.79 61.05 1wyn h SER 85 Cb 1.48 -0.15 -0.14 0.00 -0.44 0.00 0.00 62.40 63.15 1wyn h SER 85 CO -0.63 0.86 0.25 0.22 -0.53 0.00 0.00 176.83 177.00 1wyn h TYR 86 N 0.24 0.38 0.00 2.24 3.20 -0.31 -3.44 116.97 119.28 1wyn h TYR 86 Ca 0.05 0.05 0.00 0.00 3.14 0.00 0.00 58.73 61.97 1wyn h TYR 86 Cb 0.66 -0.02 0.00 0.00 1.54 0.00 0.00 36.73 38.91 1wyn h TYR 86 CO 0.07 -0.22 0.00 0.41 -1.64 0.00 0.00 178.16 176.77 1wyn n GLY 87 N -1.38 0.80 4.01 1.82 0.00 -1.04 -5.13 105.19 104.28 1wyn n GLY 87 Ca 0.22 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 46.06 1wyn n GLY 87 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1wyn s MET 88 N 0.00 2.57 0.56 1.61 -1.94 -1.24 -5.08 119.30 115.79 1wyn s MET 88 Ca 0.00 -1.33 -0.12 0.00 -1.71 0.00 0.00 55.69 52.53 1wyn s MET 88 Cb 0.00 -2.68 -0.05 0.00 2.01 0.00 0.00 34.83 34.11 1wyn s MET 88 CO 0.00 -0.57 0.98 -0.80 -0.01 0.00 0.00 175.02 174.62 1wyn s ASN 89 N -4.48 6.37 0.25 3.03 -0.87 -1.26 -4.85 114.94 113.13 1wyn s ASN 89 Ca 0.58 1.40 0.23 0.00 -1.57 0.00 0.00 52.86 53.51 1wyn s ASN 89 Cb -0.08 -2.45 0.97 0.00 -0.02 0.00 0.00 41.25 39.67 1wyn s ASN 89 CO 0.36 -0.73 1.70 -0.81 -2.57 0.00 0.00 177.10 175.05 1wyn n PRO 90 N -2.27 0.19 -0.10 -0.60 -0.04 -1.26 -2.87 135.00 128.06 1wyn n PRO 90 Ca 0.05 0.42 -0.13 0.00 -0.04 0.00 0.00 63.50 63.81 1wyn n PRO 90 Cb 0.54 -1.86 -0.15 0.00 -0.04 0.00 0.00 33.50 31.99 1wyn n PRO 90 CO 0.00 0.00 0.00 1.33 -0.04 0.00 0.00 175.50 176.79 1wyn n VAL 91 N -2.22 1.45 0.26 0.52 0.24 -1.26 -4.22 118.33 113.10 1wyn n VAL 91 Ca 0.02 -0.77 0.14 0.00 -2.04 0.00 0.00 64.34 61.70 1wyn n VAL 91 Cb 0.23 -0.83 0.77 0.00 -1.47 0.00 0.00 33.84 32.54 1wyn n VAL 91 CO 0.00 0.00 0.00 0.44 -2.14 0.00 0.00 176.83 175.13 1wyn h ASP 92 N 0.00 0.00 -3.71 -1.34 3.32 -1.92 -3.42 116.42 109.36 1wyn h ASP 92 Ca -0.53 0.00 -0.43 0.00 0.02 0.00 0.00 57.03 56.09 1wyn h ASP 92 Cb 2.12 0.00 0.18 0.00 0.22 0.00 0.00 39.33 41.85 1wyn h ASP 92 CO 0.00 0.00 0.23 -0.76 -1.72 0.00 0.00 179.24 176.99 1wyn s LEU 93 N -5.22 1.40 -0.02 1.55 1.43 -1.24 -2.70 118.68 113.87 1wyn s LEU 93 Ca -0.03 0.55 -0.14 0.00 -1.03 0.00 0.00 54.13 53.47 1wyn s LEU 93 Cb 0.08 -2.41 0.02 0.00 0.03 0.00 0.00 46.19 43.91 1wyn s LEU 93 CO 0.26 -3.60 0.30 0.72 0.23 0.00 0.00 176.35 174.25 1wyn s PHE 94 N -3.29 -0.18 0.38 0.29 -0.12 -1.26 -4.80 117.98 109.00 1wyn s PHE 94 Ca 0.71 0.30 -0.25 0.00 -0.05 0.00 0.00 56.93 57.64 1wyn s PHE 94 Cb -0.08 0.09 -0.09 0.00 -0.63 0.00 0.00 43.02 42.31 1wyn s PHE 94 CO 0.55 -0.36 1.11 -1.21 -0.05 0.00 0.00 175.22 175.25 1wyn s GLU 95 N -1.19 4.19 0.56 1.99 2.02 -1.26 -4.92 118.70 120.10 1wyn s GLU 95 Ca -0.12 1.69 0.25 0.00 0.02 0.00 0.00 54.97 56.81 1wyn s GLU 95 Cb -0.05 -2.70 1.54 0.00 0.10 0.00 0.00 34.13 33.02 1wyn s GLU 95 CO 0.04 -0.16 2.13 0.00 0.02 0.00 0.00 175.26 177.29 1wyn h ALA 96 N 2.77 1.92 -0.01 5.21 0.00 -1.94 -2.28 119.26 124.92 1wyn h ALA 96 Ca -0.48 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.41 1wyn h ALA 96 Cb 1.22 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.02 1wyn h ALA 96 CO 0.63 -0.22 -0.05 -2.95 0.00 0.00 0.00 179.25 176.67 1wyn h ASN 97 N 0.00 0.06 -0.79 0.00 7.08 -1.97 -0.85 115.58 119.11 1wyn h ASN 97 Ca 0.07 -0.66 0.29 0.00 -3.08 0.00 0.00 56.30 52.93 1wyn h ASN 97 Cb 0.35 -0.02 -0.14 0.00 -2.08 0.00 0.00 38.32 36.43 1wyn h ASN 97 CO -0.00 0.71 0.29 0.47 -2.08 0.00 0.00 177.43 176.82 1wyn n ASP 98 N -4.72 0.16 -0.09 6.14 9.92 -0.86 0.20 116.55 127.30 1wyn n ASP 98 Ca -0.09 1.32 -0.12 0.00 -0.53 0.00 0.00 54.79 55.37 1wyn n ASP 98 Cb 0.35 -0.59 -0.06 0.00 -0.64 0.00 0.00 41.12 40.19 1wyn n ASP 98 CO 0.00 0.00 0.00 -0.11 0.13 0.00 0.00 177.20 177.22 1wyn n LEU 99 N -4.89 1.85 -0.29 0.64 7.94 -1.23 0.14 117.00 121.15 1wyn n LEU 99 Ca 0.26 0.52 -0.06 0.00 -1.11 0.00 0.00 56.01 55.63 1wyn n LEU 99 Cb 0.89 -0.89 -0.01 0.00 0.53 0.00 0.00 43.42 43.93 1wyn n LEU 99 CO -0.01 -0.14 0.57 0.15 -1.11 0.00 0.00 177.39 176.85 1wyn h PHE 100 N -1.00 -1.26 -0.82 1.96 3.57 0.04 0.22 116.94 119.64 1wyn h PHE 100 Ca -0.16 0.10 -0.41 0.00 3.53 0.00 0.00 57.97 61.02 1wyn h PHE 100 Cb 0.89 0.66 -0.25 0.00 2.79 0.00 0.00 35.95 40.04 1wyn h PHE 100 CO -0.12 -0.40 0.45 0.39 -2.23 0.00 0.00 178.31 176.40 1wyn n GLU 101 N -5.41 2.26 -2.12 1.11 1.02 0.13 -4.90 120.64 112.74 1wyn n GLU 101 Ca 0.05 -3.06 -0.03 0.00 -0.02 0.00 0.00 57.16 54.10 1wyn n GLU 101 Cb 0.35 -2.09 -0.00 0.00 -0.02 0.00 0.00 31.44 29.67 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 -1.07 -1.54 -0.28 1.62 3.41 0.78 -4.72 113.62 111.81 1wyn n SER 102 Ca 0.52 0.33 0.29 0.00 -0.26 0.00 0.00 58.87 59.75 1wyn n SER 102 Cb 1.50 -1.51 0.66 0.00 -0.26 0.00 0.00 64.21 64.61 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 0.38 -6.00 5.00 0.00 0.13 -3.39 103.07 99.19 1wyn h GLY 103 Ca -0.08 -0.07 0.24 0.00 0.00 0.00 0.00 47.33 47.43 1wyn h GLY 103 CO 0.09 -0.04 0.10 0.21 0.00 0.00 0.00 176.54 176.91 1wyn s ASN 104 N -5.34 -0.36 0.19 0.19 2.47 0.20 -4.91 114.94 107.37 1wyn s ASN 104 Ca -0.06 0.14 -0.06 0.00 0.42 0.00 0.00 52.86 53.29 1wyn s ASN 104 Cb 0.23 1.27 0.10 0.00 -1.45 0.00 0.00 41.25 41.40 1wyn s ASN 104 CO 0.79 -0.07 1.57 0.24 -3.72 0.00 0.00 177.10 175.92 1wyn h MET 105 N 7.66 0.82 -0.30 0.43 2.86 -1.77 -3.18 114.93 121.45 1wyn h MET 105 Ca -0.11 -0.37 0.06 0.00 -2.06 0.00 0.00 59.70 57.22 1wyn h MET 105 Cb 1.18 -0.01 -0.06 0.00 0.06 0.00 0.00 31.60 32.76 1wyn h MET 105 CO -0.12 1.01 -0.08 1.15 1.06 0.00 0.00 176.91 179.93 1wyn h THR 106 N 0.69 0.70 -0.74 2.22 2.02 -1.96 0.25 112.91 116.09 1wyn h THR 106 Ca 0.08 0.00 0.16 0.00 0.77 0.00 0.00 66.41 67.42 1wyn h THR 106 Cb 0.84 0.70 -0.11 0.00 -1.74 0.00 0.00 68.15 67.84 1wyn h THR 106 CO 0.07 0.00 0.19 -0.61 0.37 0.00 0.00 175.52 175.54 1wyn h GLN 107 N -0.00 0.28 0.00 6.66 5.75 -1.94 0.42 115.11 126.27 1wyn h GLN 107 Ca 0.14 -0.02 0.00 0.00 -0.15 0.00 0.00 58.65 58.63 1wyn h GLN 107 Cb 0.22 -0.06 0.00 0.00 1.07 0.00 0.00 27.48 28.71 1wyn h GLN 107 CO -0.31 0.18 0.00 0.28 -2.65 0.00 0.00 178.83 176.33 1wyn h VAL 108 N 0.29 0.00 0.12 2.39 2.07 -1.39 -3.24 116.25 116.49 1wyn h VAL 108 Ca 0.42 -0.79 -0.01 0.00 0.82 0.00 0.00 66.70 67.14 1wyn h VAL 108 Cb 0.71 1.78 0.00 0.00 -1.52 0.00 0.00 31.29 32.25 1wyn h VAL 108 CO -0.50 0.00 -0.06 -0.61 0.02 0.00 0.00 177.57 176.42 1wyn h GLN 109 N 0.00 -0.16 -0.64 1.57 5.75 0.32 -3.08 115.11 118.87 1wyn h GLN 109 Ca 0.00 0.01 0.04 0.00 -0.15 0.00 0.00 58.65 58.55 1wyn h GLN 109 Cb 0.85 0.04 -0.04 0.00 1.07 0.00 0.00 27.48 29.39 1wyn h GLN 109 CO 0.00 0.26 0.39 -0.39 -2.65 0.00 0.00 178.83 176.43 1wyn h VAL 110 N -0.64 1.05 -0.99 2.39 -1.51 -1.36 -0.20 116.25 115.00 1wyn h VAL 110 Ca -0.02 -0.26 0.19 0.00 -1.23 0.00 0.00 66.70 65.38 1wyn h VAL 110 Cb 0.49 0.23 -0.10 0.00 -2.13 0.00 0.00 31.29 29.79 1wyn h VAL 110 CO 0.03 0.14 0.61 -1.28 -1.23 0.00 0.00 177.57 175.84 1wyn h SER 111 N 0.75 0.72 0.03 4.19 0.87 -1.53 0.17 113.55 118.76 1wyn h SER 111 Ca 0.27 0.08 -0.00 0.00 -1.23 0.00 0.00 61.79 60.91 1wyn h SER 111 Cb 0.06 -0.05 0.00 0.00 -0.44 0.00 0.00 62.40 61.97 1wyn h SER 111 CO -0.12 0.28 -0.02 -0.07 -0.53 0.00 0.00 176.83 176.37 1wyn h LEU 112 N 0.71 -0.04 -1.94 2.23 3.38 -1.27 -1.61 115.31 116.78 1wyn h LEU 112 Ca 0.55 -0.52 0.17 0.00 0.09 0.00 0.00 57.88 58.17 1wyn h LEU 112 Cb 0.92 0.01 -0.02 0.00 0.09 0.00 0.00 40.66 41.66 1wyn h LEU 112 CO -0.33 0.69 0.54 -0.07 0.09 0.00 0.00 178.44 179.36 1wyn h LEU 113 N -0.97 0.00 0.11 1.67 3.38 -0.66 0.32 115.31 119.17 1wyn h LEU 113 Ca -0.00 0.00 -0.34 0.00 0.09 0.00 0.00 57.88 57.63 1wyn h LEU 113 Cb 0.55 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.29 1wyn h LEU 113 CO 0.01 0.00 -1.81 0.00 0.09 0.00 0.00 178.44 176.73 1wyn h ALA 114 N 1.48 0.41 -0.09 1.53 0.00 -0.73 -3.18 119.26 118.67 1wyn h ALA 114 Ca 0.28 -1.30 -0.11 0.00 0.00 0.00 0.00 54.91 53.78 1wyn h ALA 114 Cb 1.35 0.54 -0.01 0.00 0.00 0.00 0.00 17.79 19.66 1wyn h ALA 114 CO -0.00 1.27 -0.44 1.25 0.00 0.00 0.00 179.25 181.32 1wyn h LEU 115 N 0.07 0.23 -0.09 0.00 5.85 0.15 -3.17 115.31 118.35 1wyn h LEU 115 Ca -0.35 -0.10 -0.09 0.00 0.84 0.00 0.00 57.88 58.18 1wyn h LEU 115 Cb 2.04 -0.07 0.00 0.00 0.37 0.00 0.00 40.66 43.01 1wyn h LEU 115 CO 0.12 0.65 -0.28 0.00 -0.34 0.00 0.00 178.44 178.59 1wyn h ALA 116 N 1.36 0.16 0.00 1.25 0.00 -0.62 -1.00 119.26 120.40 1wyn h ALA 116 Ca 0.01 -0.42 0.00 0.00 0.00 0.00 0.00 54.91 54.51 1wyn h ALA 116 Cb 0.86 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.63 1wyn h ALA 116 CO 0.07 0.17 0.33 0.78 0.00 0.00 0.00 179.25 180.60 1wyn h GLY 117 N -0.11 0.00 0.00 0.00 0.00 -1.52 0.14 103.07 101.58 1wyn h GLY 117 Ca -0.01 0.00 -0.34 0.00 0.00 0.00 0.00 47.33 46.99 1wyn h GLY 117 CO 0.06 0.00 -2.27 1.17 0.00 0.00 0.00 176.54 175.50 1wyn n LYS 118 N -2.75 0.62 0.25 4.80 4.81 -1.17 -4.41 118.16 120.31 1wyn n LYS 118 Ca -0.02 0.12 0.12 0.00 -0.87 0.00 0.00 58.31 57.66 1wyn n LYS 118 Cb 0.37 -1.45 0.64 0.00 0.02 0.00 0.00 35.03 34.61 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 0.09 1.19 0.00 3.14 0.00 0.02 -2.83 119.26 120.87 1wyn h ALA 119 Ca -0.50 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.27 1wyn h ALA 119 Cb 1.81 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.57 1wyn h ALA 119 CO -0.07 0.20 0.56 1.57 0.00 0.00 0.00 179.25 181.51 1wyn h LYS 120 N 0.00 0.00 -0.03 0.00 2.10 -0.98 0.11 116.57 117.77 1wyn h LYS 120 Ca -0.00 0.00 0.01 0.00 -2.00 0.00 0.00 60.65 58.66 1wyn h LYS 120 Cb 0.47 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 31.80 1wyn h LYS 120 CO 0.02 0.00 0.29 0.00 -2.00 0.00 0.00 179.45 177.76 1wyn h THR 121 N 0.00 0.04 0.23 0.07 1.03 -1.78 -1.60 112.91 110.90 1wyn h THR 121 Ca 0.00 0.00 -0.01 0.00 -0.01 0.00 0.00 66.41 66.39 1wyn h THR 121 Cb 1.11 0.71 0.00 0.00 -1.07 0.00 0.00 68.15 68.91 1wyn h THR 121 CO 0.00 0.00 -0.11 0.11 -0.01 0.00 0.00 175.52 175.51 1wyn h LYS 122 N 0.00 -0.30 -2.36 0.00 6.56 -1.06 -3.34 116.57 116.07 1wyn h LYS 122 Ca 0.01 0.02 -0.74 0.00 -1.06 0.00 0.00 60.65 58.88 1wyn h LYS 122 Cb 0.60 0.07 -0.32 0.00 -0.57 0.00 0.00 32.23 32.01 1wyn h LYS 122 CO -0.00 0.07 0.48 0.41 -2.06 0.00 0.00 179.45 178.35 1wyn n GLY 123 N 0.10 5.77 3.74 3.86 0.00 -0.61 -4.85 105.19 113.21 1wyn n GLY 123 Ca -0.09 -2.66 -0.41 0.00 0.00 0.00 0.00 46.02 42.86 1wyn n GLY 123 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1wyn s LEU 124 N -3.76 4.41 0.01 0.99 1.43 -1.17 -4.95 118.68 115.64 1wyn s LEU 124 Ca 0.40 2.50 -0.25 0.00 -1.03 0.00 0.00 54.13 55.75 1wyn s LEU 124 Cb 0.19 -3.62 -0.17 0.00 0.03 0.00 0.00 46.19 42.61 1wyn s LEU 124 CO -0.09 -0.57 1.30 1.56 0.23 0.00 0.00 176.35 178.78 1wyn h GLN 125 N 5.12 -0.23 -0.57 1.70 4.20 -1.94 -3.29 115.11 120.10 1wyn h GLN 125 Ca -0.45 0.02 0.05 0.00 0.06 0.00 0.00 58.65 58.32 1wyn h GLN 125 Cb 1.22 0.05 -0.07 0.00 0.30 0.00 0.00 27.48 28.98 1wyn h GLN 125 CO 0.76 0.11 -0.34 0.43 -0.67 0.00 0.00 178.83 179.13 1wyn n SER 126 N -5.04 -0.60 0.00 1.46 7.64 -1.26 -4.80 113.62 111.02 1wyn n SER 126 Ca -0.09 1.18 0.00 0.00 1.01 0.00 0.00 58.87 60.97 1wyn n SER 126 Cb 0.23 -0.22 0.00 0.00 -1.01 0.00 0.00 64.21 63.22 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 -1.14 0.03 3.22 0.23 0.00 -1.24 -5.17 105.19 101.11 1wyn n GLY 127 Ca 0.01 -0.13 -0.12 0.00 0.00 0.00 0.00 46.02 45.79 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 -0.02 0.12 1.61 1.01 -1.26 -5.12 120.40 116.73 1wyn s VAL 128 Ca 0.00 0.07 -0.26 0.00 0.00 0.00 0.00 61.98 61.80 1wyn s VAL 128 Cb 0.00 -0.53 0.07 0.00 0.00 0.00 0.00 36.38 35.92 1wyn s VAL 128 CO 0.00 0.03 0.88 -0.62 0.00 0.00 0.00 175.10 175.39 1wyn s ASP 129 N 0.98 -0.28 -0.18 3.32 2.15 -1.26 -4.41 116.67 116.99 1wyn s ASP 129 Ca -0.06 -0.26 -0.14 0.00 0.43 0.00 0.00 52.55 52.51 1wyn s ASP 129 Cb -0.07 0.49 -0.07 0.00 -0.30 0.00 0.00 42.92 42.97 1wyn s ASP 129 CO -0.08 -0.87 -0.31 -0.38 -0.17 0.00 0.00 175.17 173.37 1wyn n ILE 130 N -0.39 1.41 0.00 4.11 2.08 -1.26 -5.08 119.36 120.23 1wyn n ILE 130 Ca -0.08 -0.01 0.00 0.00 0.56 0.00 0.00 62.75 63.22 1wyn n ILE 130 Cb 0.61 -2.10 0.00 0.00 -0.75 0.00 0.00 39.64 37.41 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 1.65 1.05 3.48 7.39 0.00 -1.26 -5.17 105.19 112.32 1wyn n GLY 131 Ca -0.25 0.54 -0.10 0.00 0.00 0.00 0.00 46.02 46.21 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 -0.01 0.53 1.61 0.11 -1.26 -5.18 120.40 116.21 1wyn s VAL 132 Ca 0.00 0.03 0.05 0.00 -2.93 0.00 0.00 61.98 59.13 1wyn s VAL 132 Cb 0.00 -0.82 0.03 0.00 -1.53 0.00 0.00 36.38 34.06 1wyn s VAL 132 CO 0.00 0.01 0.33 -1.59 -3.33 0.00 0.00 175.10 170.52 1wyn s LYS 133 N 1.10 2.25 -0.00 1.54 -2.85 -1.26 -5.15 119.74 115.37 1wyn s LYS 133 Ca -0.06 -2.07 0.01 0.00 -1.00 0.00 0.00 55.97 52.85 1wyn s LYS 133 Cb -0.06 -2.00 -0.00 0.00 -2.06 0.00 0.00 37.83 33.71 1wyn s LYS 133 CO -0.11 -0.55 -0.04 1.52 0.10 0.00 0.00 175.35 176.27 1wyn s TYR 134 N -2.78 0.40 0.40 1.78 1.13 -1.26 -5.15 117.35 111.87 1wyn s TYR 134 Ca 0.29 -0.10 -0.23 0.00 -1.41 0.00 0.00 57.07 55.62 1wyn s TYR 134 Cb -0.01 -0.25 -0.10 0.00 -1.10 0.00 0.00 41.96 40.50 1wyn s TYR 134 CO 0.18 -0.01 1.00 0.45 -2.51 0.00 0.00 175.55 174.66 1wyn s SER 135 N -0.18 6.90 0.78 -0.18 0.15 -1.26 -5.06 113.70 114.85 1wyn s SER 135 Ca 0.01 1.89 -0.08 0.00 0.70 0.00 0.00 55.95 58.47 1wyn s SER 135 Cb -0.02 -2.57 0.11 0.00 -1.71 0.00 0.00 66.02 61.82 1wyn s SER 135 CO -0.00 -0.38 1.10 -1.61 1.20 0.00 0.00 173.24 173.55 1wyn s GLU 136 N -2.62 1.72 0.07 5.44 8.01 -1.26 -5.11 118.70 124.95 1wyn s GLU 136 Ca 0.58 -0.39 -0.26 0.00 0.01 0.00 0.00 54.97 54.91 1wyn s GLU 136 Cb -0.17 -2.10 0.08 0.00 -4.31 0.00 0.00 34.13 27.63 1wyn s GLU 136 CO 0.22 -1.59 0.72 -1.59 0.01 0.00 0.00 175.26 173.03 1wyn s LYS 137 N -5.42 1.08 0.00 1.61 0.00 -1.26 -5.06 119.74 110.69 1wyn s LYS 137 Ca 0.65 -0.31 0.00 0.00 0.00 0.00 0.00 55.97 56.31 1wyn s LYS 137 Cb -0.08 0.50 0.00 0.00 0.00 0.00 0.00 37.83 38.25 1wyn s LYS 137 CO 0.47 -0.45 0.00 0.94 0.00 0.00 0.00 175.35 176.31 1wyn n GLN 138 N -0.14 2.31 -3.87 1.78 7.27 -1.26 -5.02 117.38 118.44 1wyn n GLN 138 Ca -0.14 0.00 -0.26 0.00 0.07 0.00 0.00 57.00 56.67 1wyn n GLN 138 Cb 0.63 -0.91 -0.07 0.00 2.41 0.00 0.00 30.24 32.30 1wyn n GLN 138 CO 0.00 0.00 0.00 -1.91 0.07 0.00 0.00 177.06 175.22 1wyn n GLU 139 N -1.49 -0.91 -1.52 3.69 4.07 -1.26 -4.65 120.64 118.56 1wyn n GLU 139 Ca 0.00 0.08 -0.42 0.00 -0.06 0.00 0.00 57.16 56.76 1wyn n GLU 139 Cb 0.23 -2.93 -0.06 0.00 -0.06 0.00 0.00 31.44 28.61 1wyn n GLU 139 CO 0.00 0.00 0.00 -2.13 -0.06 0.00 0.00 177.13 174.94 1wyn n ARG 140 N -3.61 1.05 -0.68 5.31 0.63 -1.26 -4.91 116.66 113.19 1wyn n ARG 140 Ca -0.17 0.16 -0.31 0.00 -0.92 0.00 0.00 57.85 56.61 1wyn n ARG 140 Cb 0.49 -2.87 0.17 0.00 0.45 0.00 0.00 32.46 30.70 1wyn n ARG 140 CO 0.00 0.00 0.00 -1.54 -2.51 0.00 0.00 177.63 173.58 1wyn s SER 141 N 9.87 2.86 -0.53 6.15 1.04 -1.26 -5.00 113.70 126.83 1wyn s SER 141 Ca 1.07 2.19 0.04 0.00 0.48 0.00 0.00 55.95 59.73 1wyn s SER 141 Cb -0.54 -2.57 0.14 0.00 0.10 0.00 0.00 66.02 63.16 1wyn s SER 141 CO 0.37 -3.15 0.31 -0.83 0.98 0.00 0.00 173.24 170.92 1wyn s GLY 142 N -2.66 2.30 1.24 7.32 0.00 -1.26 -5.11 107.32 109.15 1wyn s GLY 142 Ca 0.67 -3.19 -0.20 0.00 0.00 0.00 0.00 44.72 42.00 1wyn s GLY 142 CO 0.58 1.21 1.11 2.56 0.00 0.00 0.00 173.10 178.56 1wyn s PRO 143 N -0.36 -1.53 0.30 2.90 0.04 -1.26 -5.09 135.00 130.01 1wyn s PRO 143 Ca 0.19 -0.17 0.08 0.00 0.04 0.00 0.00 61.00 61.15 1wyn s PRO 143 Cb -0.20 -1.57 -0.06 0.00 0.04 0.00 0.00 34.50 32.71 1wyn s PRO 143 CO -0.04 -3.89 -0.09 -1.54 0.04 0.00 0.00 177.00 171.47 1wyn s SER 144 N -3.97 3.19 -0.10 6.66 1.04 -1.26 -5.09 113.70 114.17 1wyn s SER 144 Ca 0.72 -1.17 -0.01 0.00 0.48 0.00 0.00 55.95 55.97 1wyn s SER 144 Cb -0.08 -0.25 -0.01 0.00 0.10 0.00 0.00 66.02 65.78 1wyn s SER 144 CO 0.56 -0.25 0.03 0.28 0.98 0.00 0.00 173.24 174.84 1wyn h SER 145 N 2.20 0.00 0.00 7.02 0.02 -2.08 -3.57 113.55 117.13 1wyn h SER 145 Ca -0.41 -0.04 0.00 0.00 -0.84 0.00 0.00 61.79 60.51 1wyn h SER 145 Cb 1.24 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.78 1wyn h SER 145 CO 0.67 0.52 0.00 0.61 -1.14 0.00 0.00 176.83 177.49