#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1uil s SER 2 N 0.00 4.63 -0.28 1.61 0.01 -1.26 -5.06 113.70 113.35 1uil s SER 2 Ca 0.00 -2.02 -0.16 0.00 1.31 0.00 0.00 55.95 55.08 1uil s SER 2 Cb 0.00 -1.51 0.11 0.00 0.21 0.00 0.00 66.02 64.83 1uil s SER 2 CO 0.00 -0.37 0.80 -0.55 0.41 0.00 0.00 173.24 173.53 1uil s SER 3 N 1.02 -0.79 0.00 2.44 0.15 -1.26 -5.12 113.70 110.14 1uil s SER 3 Ca 0.09 1.25 0.00 0.00 0.70 0.00 0.00 55.95 57.99 1uil s SER 3 Cb -0.19 1.38 0.00 0.00 -1.71 0.00 0.00 66.02 65.50 1uil s SER 3 CO -0.10 -0.20 0.00 0.61 1.20 0.00 0.00 173.24 174.75 1uil n GLY 4 N 4.18 1.32 3.43 9.45 0.00 -1.26 -5.16 105.19 117.16 1uil n GLY 4 Ca -0.19 -1.15 -0.14 0.00 0.00 0.00 0.00 46.02 44.54 1uil n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1uil s SER 5 N 0.00 -0.55 0.16 1.61 0.15 -1.26 -5.18 113.70 108.63 1uil s SER 5 Ca 0.00 0.21 -0.12 0.00 0.70 0.00 0.00 55.95 56.74 1uil s SER 5 Cb 0.00 0.55 0.00 0.00 -1.71 0.00 0.00 66.02 64.87 1uil s SER 5 CO 0.00 -0.82 0.35 -0.55 1.20 0.00 0.00 173.24 173.42 1uil s SER 6 N -2.18 -0.05 0.00 5.45 0.15 -1.26 -5.13 113.70 110.68 1uil s SER 6 Ca -0.03 -0.71 0.00 0.00 0.70 0.00 0.00 55.95 55.90 1uil s SER 6 Cb -0.01 0.47 0.00 0.00 -1.71 0.00 0.00 66.02 64.77 1uil s SER 6 CO -0.05 -0.92 0.00 0.61 1.20 0.00 0.00 173.24 174.09 1uil n GLY 7 N -0.23 -0.18 3.59 9.45 0.00 -1.26 -5.18 105.19 111.38 1uil n GLY 7 Ca -0.09 0.61 -0.24 0.00 0.00 0.00 0.00 46.02 46.29 1uil n GLY 7 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1uil s LEU 8 N 0.00 3.01 -0.47 0.99 1.43 -1.26 -5.10 118.68 117.29 1uil s LEU 8 Ca 0.00 -0.71 0.03 0.00 -1.03 0.00 0.00 54.13 52.42 1uil s LEU 8 Cb 0.00 -1.57 0.15 0.00 0.03 0.00 0.00 46.19 44.80 1uil s LEU 8 CO 0.00 0.04 0.31 -1.61 0.23 0.00 0.00 176.35 175.31 1uil s GLU 9 N -3.42 1.28 -0.17 1.70 2.02 -1.26 -4.91 118.70 113.94 1uil s GLU 9 Ca 0.29 -2.17 0.16 0.00 0.02 0.00 0.00 54.97 53.27 1uil s GLU 9 Cb -0.07 -2.12 0.66 0.00 0.10 0.00 0.00 34.13 32.71 1uil s GLU 9 CO 0.18 -1.25 1.58 0.45 0.02 0.00 0.00 175.26 176.23 1uil n SER 10 N 3.14 4.68 -4.68 -0.19 2.88 -1.26 -4.99 113.62 113.21 1uil n SER 10 Ca 0.17 -2.76 -0.44 0.00 -1.33 0.00 0.00 58.87 54.51 1uil n SER 10 Cb 0.39 -0.58 -0.04 0.00 -0.75 0.00 0.00 64.21 63.23 1uil n SER 10 CO 0.00 0.00 0.00 -1.84 -1.23 0.00 0.00 175.04 171.97 1uil n GLU 11 N 0.38 2.56 -3.33 -1.46 0.28 -1.26 -4.95 120.64 112.86 1uil n GLU 11 Ca 0.24 0.94 -0.11 0.00 -0.16 0.00 0.00 57.16 58.07 1uil n GLU 11 Cb 0.96 -2.82 -0.07 0.00 1.43 0.00 0.00 31.44 30.94 1uil n GLU 11 CO 0.00 0.00 0.00 -2.00 -0.16 0.00 0.00 177.13 174.97 1uil s GLU 12 N 3.32 0.38 -0.03 3.44 2.12 -1.26 -5.14 118.70 121.53 1uil s GLU 12 Ca 0.86 0.15 -0.06 0.00 0.36 0.00 0.00 54.97 56.29 1uil s GLU 12 Cb -0.55 -0.42 0.01 0.00 0.26 0.00 0.00 34.13 33.43 1uil s GLU 12 CO 0.43 -0.96 0.14 0.54 -0.54 0.00 0.00 175.26 174.86 1uil s VAL 13 N 2.51 0.04 -0.29 3.70 0.11 -1.26 -5.15 120.40 120.06 1uil s VAL 13 Ca 0.10 -0.33 -0.17 0.00 -2.93 0.00 0.00 61.98 58.65 1uil s VAL 13 Cb -0.13 -0.31 0.14 0.00 -1.53 0.00 0.00 36.38 34.56 1uil s VAL 13 CO -0.28 -0.18 1.00 -0.62 -3.33 0.00 0.00 175.10 171.69 1uil s ASP 14 N -0.59 -0.48 0.00 3.54 2.15 -1.26 -5.05 116.67 114.97 1uil s ASP 14 Ca -0.07 0.80 0.00 0.00 0.43 0.00 0.00 52.55 53.71 1uil s ASP 14 Cb -0.04 1.14 0.00 0.00 -0.30 0.00 0.00 42.92 43.72 1uil s ASP 14 CO 0.01 -0.13 0.00 -0.11 -0.17 0.00 0.00 175.17 174.77 1uil n LEU 15 N 3.45 0.00 0.05 -1.34 -0.00 -1.26 -4.85 117.00 113.05 1uil n LEU 15 Ca -0.18 0.00 -0.16 0.00 -0.00 0.00 0.00 56.01 55.67 1uil n LEU 15 Cb 0.57 0.00 -0.14 0.00 -0.00 0.00 0.00 43.42 43.85 1uil n LEU 15 CO 0.02 -0.16 -0.37 -0.55 -0.00 0.00 0.00 177.39 176.33 1uil h ASN 16 N 0.00 0.35 -0.89 1.96 7.08 -2.00 -3.34 115.58 118.75 1uil h ASN 16 Ca 0.00 -0.51 0.16 0.00 -3.08 0.00 0.00 56.30 52.87 1uil h ASN 16 Cb 0.00 -0.11 -0.16 0.00 -2.08 0.00 0.00 38.32 35.96 1uil h ASN 16 CO 0.00 1.43 -0.28 0.00 -2.08 0.00 0.00 177.43 176.50 1uil h ALA 17 N 0.51 0.41 0.22 4.14 0.00 -1.97 0.28 119.26 122.85 1uil h ALA 17 Ca -0.25 0.31 0.00 0.00 0.00 0.00 0.00 54.91 54.97 1uil h ALA 17 Cb 2.01 0.78 -0.02 0.00 0.00 0.00 0.00 17.79 20.57 1uil h ALA 17 CO 0.15 -0.49 -0.21 0.78 0.00 0.00 0.00 179.25 179.48 1uil h GLY 18 N -0.02 -0.46 -0.31 0.00 0.00 -1.89 -1.97 103.07 98.41 1uil h GLY 18 Ca 0.39 0.24 0.09 0.00 0.00 0.00 0.00 47.33 48.04 1uil h GLY 18 CO -0.92 -0.20 -0.35 1.41 0.00 0.00 0.00 176.54 176.49 1uil h LEU 19 N -0.46 -1.18 -0.12 3.11 3.38 -0.71 -1.92 115.31 117.42 1uil h LEU 19 Ca -0.00 0.21 0.02 0.00 0.09 0.00 0.00 57.88 58.20 1uil h LEU 19 Cb 0.42 0.56 -0.03 0.00 0.09 0.00 0.00 40.66 41.70 1uil h LEU 19 CO -0.04 -0.32 -0.25 0.45 0.09 0.00 0.00 178.44 178.37 1uil h HIS 20 N -0.22 -0.75 -2.19 1.13 3.86 -0.48 -3.48 115.15 113.02 1uil h HIS 20 Ca 0.20 0.03 0.00 0.00 -1.16 0.00 0.00 60.37 59.44 1uil h HIS 20 Cb 0.55 0.34 0.00 0.00 1.06 0.00 0.00 27.41 29.36 1uil h HIS 20 CO -0.60 -0.24 -0.19 0.41 0.86 0.00 0.00 177.93 178.17 1uil n GLY 21 N -1.18 -3.65 2.59 2.45 0.00 -0.72 -4.82 105.19 99.86 1uil n GLY 21 Ca -0.02 -0.54 -0.41 0.00 0.00 0.00 0.00 46.02 45.05 1uil n GLY 21 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1uil n ASN 22 N 0.37 6.87 -4.02 1.61 5.15 -1.26 -4.80 115.26 119.17 1uil n ASN 22 Ca 0.00 -3.02 -0.33 0.00 -0.60 0.00 0.00 54.58 50.63 1uil n ASN 22 Cb 0.00 -1.45 -0.11 0.00 -0.53 0.00 0.00 39.78 37.68 1uil n ASN 22 CO 0.00 0.00 0.00 0.26 1.40 0.00 0.00 177.26 178.92 1uil s TRP 23 N 0.23 3.39 0.11 1.20 0.23 -1.26 -4.65 118.94 118.19 1uil s TRP 23 Ca 0.51 -2.99 -0.03 0.00 -2.03 0.00 0.00 56.10 51.57 1uil s TRP 23 Cb 0.15 -3.02 -0.05 0.00 0.03 0.00 0.00 33.47 30.59 1uil s TRP 23 CO -0.06 -0.76 0.31 0.95 0.96 0.00 0.00 176.95 178.35 1uil s THR 24 N -0.45 5.25 0.29 2.01 -4.23 -1.26 -4.75 115.64 112.50 1uil s THR 24 Ca 0.19 -0.12 0.20 0.00 -1.18 0.00 0.00 61.69 60.78 1uil s THR 24 Cb -0.19 -3.62 0.31 0.00 1.34 0.00 0.00 72.50 70.34 1uil s THR 24 CO -0.05 0.09 1.12 0.18 -0.54 0.00 0.00 174.62 175.42 1uil n LEU 25 N 0.19 0.19 0.22 4.79 4.77 -1.26 0.12 117.00 126.02 1uil n LEU 25 Ca -0.04 1.07 -0.09 0.00 -0.03 0.00 0.00 56.01 56.93 1uil n LEU 25 Cb 0.51 -0.53 -0.04 0.00 -2.33 0.00 0.00 43.42 41.03 1uil n LEU 25 CO 0.50 -1.19 0.31 -0.08 -1.33 0.00 0.00 177.39 175.60 1uil h GLU 26 N 0.00 -0.58 0.01 3.23 4.22 -1.92 -2.36 114.58 117.18 1uil h GLU 26 Ca 0.62 0.04 0.01 0.00 0.08 0.00 0.00 59.36 60.11 1uil h GLU 26 Cb 1.85 0.13 -0.03 0.00 0.50 0.00 0.00 28.75 31.20 1uil h GLU 26 CO -0.43 -0.38 -0.26 -0.91 -2.18 0.00 0.00 179.01 174.85 1uil h ASN 27 N -0.91 -0.79 -0.81 1.04 4.21 0.50 0.02 115.58 118.83 1uil h ASN 27 Ca -0.06 0.09 0.11 0.00 1.21 0.00 0.00 56.30 57.65 1uil h ASN 27 Cb 0.46 0.30 -0.12 0.00 -1.12 0.00 0.00 38.32 37.84 1uil h ASN 27 CO 0.10 -0.25 -0.37 0.00 -1.29 0.00 0.00 177.43 175.62 1uil n ALA 28 N -2.72 -0.23 -0.43 -0.83 0.00 0.59 0.14 120.51 117.03 1uil n ALA 28 Ca -0.04 0.77 0.00 0.00 0.00 0.00 0.00 53.44 54.18 1uil n ALA 28 Cb 0.19 -0.28 0.00 0.00 0.00 0.00 0.00 19.45 19.36 1uil n ALA 28 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 1uil n LYS 29 N -5.14 0.00 -0.16 0.00 4.81 -0.71 0.48 118.16 117.44 1uil n LYS 29 Ca 0.06 0.51 -0.06 0.00 -0.87 0.00 0.00 58.31 57.95 1uil n LYS 29 Cb 0.29 -1.28 -0.05 0.00 0.02 0.00 0.00 35.03 34.00 1uil n LYS 29 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1uil h ALA 30 N -1.74 -0.37 -0.91 3.14 0.00 0.56 0.24 119.26 120.18 1uil h ALA 30 Ca 0.00 0.04 0.10 0.00 0.00 0.00 0.00 54.91 55.05 1uil h ALA 30 Cb 0.00 1.10 -0.12 0.00 0.00 0.00 0.00 17.79 18.76 1uil h ALA 30 CO 0.00 -0.55 -0.47 -2.13 0.00 0.00 0.00 179.25 176.09 1uil n ARG 31 N -4.10 -0.33 -0.38 0.00 0.00 0.37 0.56 116.66 112.77 1uil n ARG 31 Ca 0.00 1.38 -0.04 0.00 -0.00 0.00 0.00 57.85 59.20 1uil n ARG 31 Cb 0.14 -2.04 0.00 0.00 0.00 0.00 0.00 32.46 30.57 1uil n ARG 31 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.63 177.52 1uil n LEU 32 N -5.21 -0.74 -0.24 6.15 7.94 0.18 0.19 117.00 125.27 1uil n LEU 32 Ca 0.04 1.71 -0.01 0.00 -1.11 0.00 0.00 56.01 56.65 1uil n LEU 32 Cb 0.28 -0.35 0.11 0.00 0.53 0.00 0.00 43.42 43.99 1uil n LEU 32 CO -0.14 -1.50 1.09 0.78 -1.11 0.00 0.00 177.39 176.51 1uil h ASN 33 N 0.00 0.54 -0.06 1.96 4.21 0.71 -1.65 115.58 121.30 1uil h ASN 33 Ca 0.29 0.04 0.01 0.00 1.21 0.00 0.00 56.30 57.85 1uil h ASN 33 Cb 0.54 -0.07 -0.01 0.00 -1.12 0.00 0.00 38.32 37.65 1uil h ASN 33 CO -0.96 0.34 -0.03 1.56 -1.29 0.00 0.00 177.43 177.06 1uil h GLN 34 N 0.68 -0.03 -0.81 0.81 1.08 0.40 0.23 115.11 117.47 1uil h GLN 34 Ca 0.31 0.00 0.18 0.00 -1.45 0.00 0.00 58.65 57.69 1uil h GLN 34 Cb 0.22 0.01 -0.05 0.00 -0.05 0.00 0.00 27.48 27.61 1uil h GLN 34 CO -0.20 -0.02 0.55 -0.92 -0.95 0.00 0.00 178.83 177.29 1uil h TYR 35 N -0.03 0.45 0.00 2.96 3.20 0.14 0.69 116.97 124.38 1uil h TYR 35 Ca 0.03 0.01 0.00 0.00 3.14 0.00 0.00 58.73 61.92 1uil h TYR 35 Cb 0.07 -0.14 0.00 0.00 1.54 0.00 0.00 36.73 38.21 1uil h TYR 35 CO -0.13 0.14 -0.44 0.74 -1.64 0.00 0.00 178.16 176.83 1uil h PHE 36 N 0.36 0.00 0.16 -3.82 0.04 -0.41 -2.37 116.94 110.90 1uil h PHE 36 Ca 0.41 0.00 -0.29 0.00 2.80 0.00 0.00 57.97 60.88 1uil h PHE 36 Cb 1.05 0.00 0.01 0.00 2.20 0.00 0.00 35.95 39.21 1uil h PHE 36 CO -0.00 0.00 -1.44 1.96 -0.60 0.00 0.00 178.31 178.23 1uil h GLN 37 N 0.00 0.33 0.02 1.51 1.08 0.33 0.39 115.11 118.77 1uil h GLN 37 Ca 0.00 -0.57 -0.00 0.00 -1.45 0.00 0.00 58.65 56.63 1uil h GLN 37 Cb 0.94 0.21 0.00 0.00 -0.05 0.00 0.00 27.48 28.58 1uil h GLN 37 CO 0.00 1.27 -0.01 0.87 -0.95 0.00 0.00 178.83 180.01 1uil h LYS 38 N -0.14 -0.03 0.00 1.46 1.79 -0.02 -3.00 116.57 116.64 1uil h LYS 38 Ca -0.29 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.18 1uil h LYS 38 Cb 1.90 0.01 0.00 0.00 -1.58 0.00 0.00 32.23 32.55 1uil h LYS 38 CO 0.13 0.54 0.00 0.39 -1.08 0.00 0.00 179.45 179.44 1uil n GLU 39 N -4.82 0.17 -1.42 3.15 4.71 -0.89 -4.84 120.64 116.70 1uil n GLU 39 Ca -0.09 0.40 -0.10 0.00 -0.01 0.00 0.00 57.16 57.36 1uil n GLU 39 Cb 0.29 -1.83 -0.04 0.00 -1.01 0.00 0.00 31.44 28.86 1uil n GLU 39 CO 0.00 0.00 0.00 1.63 0.09 0.00 0.00 177.13 178.85 1uil n LYS 40 N -2.16 -0.72 -2.12 3.49 4.76 -0.78 -5.00 118.16 115.64 1uil n LYS 40 Ca 0.02 0.81 -0.29 0.00 -2.87 0.00 0.00 58.31 55.98 1uil n LYS 40 Cb 0.23 -4.75 0.04 0.00 -1.84 0.00 0.00 35.03 28.70 1uil n LYS 40 CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 1uil s ILE 41 N -2.39 3.60 -0.07 -0.18 1.01 0.13 -4.96 121.20 118.34 1uil s ILE 41 Ca 0.00 0.28 0.02 0.00 0.00 0.00 0.00 60.65 60.95 1uil s ILE 41 Cb 0.00 -3.48 0.01 0.00 0.01 0.00 0.00 42.46 39.00 1uil s ILE 41 CO 0.00 -0.57 -0.12 -1.10 0.00 0.00 0.00 174.94 173.15 1uil s GLN 42 N -5.19 1.74 -0.15 2.79 -0.21 -1.26 -4.47 119.66 112.92 1uil s GLN 42 Ca 0.56 -0.42 -0.12 0.00 0.02 0.00 0.00 55.36 55.40 1uil s GLN 42 Cb -0.11 -1.45 0.04 0.00 1.00 0.00 0.00 33.01 32.50 1uil s GLN 42 CO 0.49 0.02 0.38 0.20 -2.12 0.00 0.00 175.29 174.26 1uil s GLY 43 N 0.70 -0.29 0.33 3.09 0.00 -1.26 -5.12 107.32 104.78 1uil s GLY 43 Ca -0.14 1.17 0.09 0.00 0.00 0.00 0.00 44.72 45.84 1uil s GLY 43 CO 0.03 1.12 -0.09 -0.54 0.00 0.00 0.00 173.10 173.62 1uil s GLU 44 N 0.54 1.77 -0.16 2.90 2.02 -1.26 -5.11 118.70 119.40 1uil s GLU 44 Ca -0.03 -1.91 -0.06 0.00 0.02 0.00 0.00 54.97 53.00 1uil s GLU 44 Cb -0.04 -1.60 -0.03 0.00 0.10 0.00 0.00 34.13 32.55 1uil s GLU 44 CO -0.03 0.12 0.02 0.71 0.02 0.00 0.00 175.26 176.10 1uil s TYR 45 N -2.68 3.16 -0.51 1.61 1.51 -1.26 -4.69 117.35 114.48 1uil s TYR 45 Ca 0.32 -0.06 -0.17 0.00 -1.01 0.00 0.00 57.07 56.15 1uil s TYR 45 Cb 0.03 -2.01 0.09 0.00 -0.11 0.00 0.00 41.96 39.95 1uil s TYR 45 CO 0.16 0.11 0.50 0.21 -1.11 0.00 0.00 175.55 175.41 1uil s LYS 46 N 0.27 3.02 -0.27 -0.62 2.47 0.32 -4.90 119.74 120.03 1uil s LYS 46 Ca 0.01 -1.34 -0.20 0.00 -1.56 0.00 0.00 55.97 52.88 1uil s LYS 46 Cb -0.13 -4.18 -0.02 0.00 -1.46 0.00 0.00 37.83 32.05 1uil s LYS 46 CO 0.01 -1.19 0.62 0.71 0.16 0.00 0.00 175.35 175.67 1uil s TYR 47 N 1.93 3.26 -0.27 4.03 2.02 -1.25 -0.66 117.35 126.41 1uil s TYR 47 Ca 0.07 0.72 -0.07 0.00 -0.37 0.00 0.00 57.07 57.41 1uil s TYR 47 Cb -0.25 -2.89 -0.01 0.00 -0.40 0.00 0.00 41.96 38.41 1uil s TYR 47 CO 0.07 -0.38 0.08 0.99 -1.57 0.00 0.00 175.55 174.74 1uil s THR 48 N 2.53 4.23 -0.05 -0.71 2.01 0.29 -4.80 115.64 119.14 1uil s THR 48 Ca 0.25 -0.36 -0.29 0.00 0.31 0.00 0.00 61.69 61.60 1uil s THR 48 Cb -0.15 -3.06 -0.02 0.00 0.01 0.00 0.00 72.50 69.28 1uil s THR 48 CO 0.10 0.23 0.96 -1.58 -0.69 0.00 0.00 174.62 173.63 1uil s GLN 49 N 1.58 4.49 0.32 4.92 -0.44 -1.26 0.19 119.66 129.46 1uil s GLN 49 Ca 0.05 1.34 0.03 0.00 -2.50 0.00 0.00 55.36 54.28 1uil s GLN 49 Cb -0.16 -3.49 -0.05 0.00 -1.64 0.00 0.00 33.01 27.67 1uil s GLN 49 CO 0.03 -0.14 0.10 0.14 0.50 0.00 0.00 175.29 175.92 1uil s VAL 50 N 1.36 0.77 0.20 1.34 -7.23 -1.00 -4.96 120.40 110.88 1uil s VAL 50 Ca 0.49 -2.00 0.00 0.00 -1.81 0.00 0.00 61.98 58.66 1uil s VAL 50 Cb -0.20 -2.63 0.00 0.00 0.56 0.00 0.00 36.38 34.12 1uil s VAL 50 CO 0.23 0.00 0.00 0.61 -0.31 0.00 0.00 175.10 175.63 1uil n GLY 51 N -0.64 -1.93 3.82 2.32 0.00 -1.26 -1.23 105.19 106.26 1uil n GLY 51 Ca -0.02 -1.33 -0.31 0.00 0.00 0.00 0.00 46.02 44.36 1uil n GLY 51 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1uil s PRO 52 N -2.11 3.01 0.11 1.61 0.04 -1.13 -4.66 135.00 131.87 1uil s PRO 52 Ca 0.00 0.98 -0.28 0.00 0.04 0.00 0.00 61.00 61.75 1uil s PRO 52 Cb 0.00 -2.00 -0.08 0.00 0.04 0.00 0.00 34.50 32.46 1uil s PRO 52 CO 0.00 -1.05 1.63 -0.44 0.04 0.00 0.00 177.00 177.18 1uil h ASP 53 N -0.55 -0.85 -1.01 6.66 5.19 -1.97 0.52 116.42 124.41 1uil h ASP 53 Ca -0.44 0.10 0.37 0.00 -0.62 0.00 0.00 57.03 56.44 1uil h ASP 53 Cb 1.21 0.32 -0.16 0.00 0.18 0.00 0.00 39.33 40.88 1uil h ASP 53 CO 0.57 -0.38 0.57 1.12 -3.12 0.00 0.00 179.24 177.99 1uil h HIS 54 N -0.51 0.87 -2.09 4.55 2.07 -2.00 -3.12 115.15 114.91 1uil h HIS 54 Ca 0.03 0.04 -0.46 0.00 -2.85 0.00 0.00 60.37 57.13 1uil h HIS 54 Cb 0.54 -0.22 -0.33 0.00 2.57 0.00 0.00 27.41 29.98 1uil h HIS 54 CO -0.27 -0.32 -0.79 1.21 -3.07 0.00 0.00 177.93 174.70 1uil s ASN 55 N -4.71 1.28 0.32 3.10 3.84 -0.21 -5.13 114.94 113.43 1uil s ASN 55 Ca -0.09 -2.20 0.10 0.00 0.21 0.00 0.00 52.86 50.88 1uil s ASN 55 Cb 0.32 0.22 -0.06 0.00 -0.55 0.00 0.00 41.25 41.18 1uil s ASN 55 CO 0.79 -0.22 -0.06 0.00 -2.79 0.00 0.00 177.10 174.82 1uil s ARG 56 N 0.85 1.95 0.10 0.43 1.70 0.17 -2.83 118.95 121.31 1uil s ARG 56 Ca 0.24 -1.78 0.01 0.00 -0.47 0.00 0.00 55.73 53.72 1uil s ARG 56 Cb -0.09 -1.85 -0.00 0.00 -0.57 0.00 0.00 34.95 32.44 1uil s ARG 56 CO -0.07 0.19 0.03 0.43 -1.08 0.00 0.00 175.30 174.80 1uil n SER 57 N -0.84 1.12 -3.55 -2.89 7.64 -0.37 -4.96 113.62 109.77 1uil n SER 57 Ca -0.05 -1.53 -0.23 0.00 1.01 0.00 0.00 58.87 58.07 1uil n SER 57 Cb 0.62 0.24 -0.15 0.00 -1.01 0.00 0.00 64.21 63.91 1uil n SER 57 CO 0.00 0.00 0.00 -0.36 -3.01 0.00 0.00 175.04 171.67 1uil s PHE 58 N -1.87 0.02 -0.62 1.43 0.40 -1.24 -2.37 117.98 113.73 1uil s PHE 58 Ca 0.05 -0.22 -0.28 0.00 -0.60 0.00 0.00 56.93 55.88 1uil s PHE 58 Cb 0.00 -0.60 0.03 0.00 0.51 0.00 0.00 43.02 42.96 1uil s PHE 58 CO 0.03 -0.62 1.19 0.42 0.70 0.00 0.00 175.22 176.95 1uil s ILE 59 N 2.21 3.97 -0.43 0.64 1.01 0.51 -3.77 121.20 125.33 1uil s ILE 59 Ca 0.05 0.72 -0.21 0.00 0.00 0.00 0.00 60.65 61.21 1uil s ILE 59 Cb -0.16 -4.76 0.02 0.00 0.01 0.00 0.00 42.46 37.57 1uil s ILE 59 CO -0.16 -1.46 0.68 0.00 0.00 0.00 0.00 174.94 174.00 1uil s ALA 60 N 5.07 3.35 -0.01 9.38 0.00 -0.93 0.10 121.76 138.73 1uil s ALA 60 Ca 0.40 -1.11 0.07 0.00 0.00 0.00 0.00 51.96 51.31 1uil s ALA 60 Cb -0.08 -3.32 -0.02 0.00 0.00 0.00 0.00 23.12 19.69 1uil s ALA 60 CO 0.22 -1.76 -0.22 -1.83 0.00 0.00 0.00 175.76 172.17 1uil s GLU 61 N 2.91 2.14 -0.07 0.00 -1.05 0.16 -2.04 118.70 120.76 1uil s GLU 61 Ca 0.25 -0.91 -0.06 0.00 -0.15 0.00 0.00 54.97 54.09 1uil s GLU 61 Cb -0.14 -2.13 0.02 0.00 -0.44 0.00 0.00 34.13 31.44 1uil s GLU 61 CO 0.19 0.56 0.19 1.41 0.95 0.00 0.00 175.26 178.57 1uil s MET 62 N -0.86 0.21 -0.04 -4.83 1.75 -0.44 -0.52 119.30 114.57 1uil s MET 62 Ca 0.11 0.29 0.04 0.00 -1.25 0.00 0.00 55.69 54.88 1uil s MET 62 Cb -0.10 0.07 -0.00 0.00 2.84 0.00 0.00 34.83 37.64 1uil s MET 62 CO 0.01 -0.05 -0.17 0.99 -0.65 0.00 0.00 175.02 175.15 1uil s THR 63 N 0.26 1.45 0.06 10.11 2.01 -1.26 -0.02 115.64 128.24 1uil s THR 63 Ca -0.01 -0.72 0.01 0.00 0.31 0.00 0.00 61.69 61.27 1uil s THR 63 Cb -0.03 -1.24 -0.03 0.00 0.01 0.00 0.00 72.50 71.21 1uil s THR 63 CO -0.01 0.42 -0.06 0.27 -0.69 0.00 0.00 174.62 174.55 1uil s ILE 64 N 0.04 0.48 -0.04 1.82 -4.36 -0.18 -4.94 121.20 114.02 1uil s ILE 64 Ca -0.04 -1.57 0.06 0.00 -0.26 0.00 0.00 60.65 58.85 1uil s ILE 64 Cb -0.12 -1.20 -0.01 0.00 1.25 0.00 0.00 42.46 42.38 1uil s ILE 64 CO 0.02 -0.73 -0.24 -0.47 0.24 0.00 0.00 174.94 173.76 1uil s TYR 65 N -2.86 2.27 -0.20 1.37 6.14 -1.26 -0.09 117.35 122.72 1uil s TYR 65 Ca 0.02 -0.58 -0.03 0.00 0.64 0.00 0.00 57.07 57.12 1uil s TYR 65 Cb 0.00 -1.48 -0.01 0.00 0.42 0.00 0.00 41.96 40.90 1uil s TYR 65 CO -0.04 -0.14 -0.07 0.42 0.64 0.00 0.00 175.55 176.35 1uil s ILE 66 N -0.30 3.20 0.12 3.14 -1.09 0.12 -4.95 121.20 121.43 1uil s ILE 66 Ca 0.01 -0.56 0.00 0.00 -2.23 0.00 0.00 60.65 57.88 1uil s ILE 66 Cb -0.12 -2.43 -0.22 0.00 -1.58 0.00 0.00 42.46 38.11 1uil s ILE 66 CO 0.02 0.46 1.25 0.07 -1.23 0.00 0.00 174.94 175.51 1uil h LYS 67 N 7.78 0.19 0.00 2.79 -0.00 -1.95 0.25 116.57 125.64 1uil h LYS 67 Ca -0.39 -0.28 0.00 0.00 -0.00 0.00 0.00 60.65 59.98 1uil h LYS 67 Cb 1.17 0.10 0.00 0.00 -0.00 0.00 0.00 32.23 33.50 1uil h LYS 67 CO 0.60 1.08 0.00 0.00 -0.00 0.00 0.00 179.45 181.13 1uil n GLN 68 N -3.54 0.01 -0.04 0.07 10.64 -1.26 -2.35 117.38 120.90 1uil n GLN 68 Ca -0.05 0.35 -0.06 0.00 -1.83 0.00 0.00 57.00 55.41 1uil n GLN 68 Cb 0.93 -1.50 -0.05 0.00 -0.86 0.00 0.00 30.24 28.76 1uil n GLN 68 CO 0.00 0.00 0.00 1.28 -1.83 0.00 0.00 177.06 176.51 1uil n LEU 69 N -1.49 2.27 0.00 2.61 4.77 -1.14 -5.02 117.00 119.00 1uil n LEU 69 Ca 0.02 -0.04 0.00 0.00 -0.03 0.00 0.00 56.01 55.96 1uil n LEU 69 Cb 0.09 -0.20 0.00 0.00 -2.33 0.00 0.00 43.42 40.98 1uil n LEU 69 CO 0.07 0.54 0.00 0.61 -1.33 0.00 0.00 177.39 177.29 1uil n GLY 70 N 2.93 0.83 0.64 -0.72 0.00 0.04 -5.05 105.19 103.86 1uil n GLY 70 Ca -0.15 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 45.83 1uil n GLY 70 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 1uil n ARG 71 N -2.12 0.09 -4.02 1.61 -4.01 -0.97 -5.00 116.66 102.23 1uil n ARG 71 Ca 0.00 -0.66 -0.09 0.00 -1.04 0.00 0.00 57.85 56.06 1uil n ARG 71 Cb 0.00 0.55 -0.11 0.00 -3.04 0.00 0.00 32.46 29.86 1uil n ARG 71 CO 0.00 0.00 0.00 -0.98 -3.04 0.00 0.00 177.63 173.61 1uil s ARG 72 N -2.26 0.42 0.09 2.89 1.70 -1.26 0.14 118.95 120.66 1uil s ARG 72 Ca 0.08 -0.80 0.08 0.00 -0.47 0.00 0.00 55.73 54.62 1uil s ARG 72 Cb 0.00 0.09 -0.04 0.00 -0.57 0.00 0.00 34.95 34.44 1uil s ARG 72 CO 0.06 -0.06 -0.18 0.96 -1.08 0.00 0.00 175.30 175.00 1uil s ILE 73 N -2.13 2.83 0.10 4.99 -4.36 0.88 -4.96 121.20 118.54 1uil s ILE 73 Ca -0.09 -1.37 0.08 0.00 -0.26 0.00 0.00 60.65 59.01 1uil s ILE 73 Cb -0.05 -2.26 -0.03 0.00 1.25 0.00 0.00 42.46 41.37 1uil s ILE 73 CO -0.03 0.19 -0.20 0.12 0.24 0.00 0.00 174.94 175.26 1uil s PHE 74 N -1.06 1.76 0.07 1.37 2.19 -1.26 -1.01 117.98 120.04 1uil s PHE 74 Ca 0.17 -0.42 0.02 0.00 0.33 0.00 0.00 56.93 57.02 1uil s PHE 74 Cb -0.11 -0.96 -0.03 0.00 -1.31 0.00 0.00 43.02 40.61 1uil s PHE 74 CO 0.08 0.20 -0.07 0.00 1.83 0.00 0.00 175.22 177.26 1uil s ALA 75 N -1.20 0.75 -0.38 11.12 0.00 0.97 -4.93 121.76 128.09 1uil s ALA 75 Ca 0.06 -1.06 -0.01 0.00 0.00 0.00 0.00 51.96 50.95 1uil s ALA 75 Cb -0.10 0.11 0.19 0.00 0.00 0.00 0.00 23.12 23.32 1uil s ALA 75 CO 0.04 -0.14 0.88 0.50 0.00 0.00 0.00 175.76 177.04 1uil s ARG 76 N -2.74 0.51 0.56 0.00 3.52 -1.26 -1.32 118.95 118.22 1uil s ARG 76 Ca 0.01 -0.29 0.02 0.00 -0.13 0.00 0.00 55.73 55.35 1uil s ARG 76 Cb -0.02 0.03 0.05 0.00 -1.56 0.00 0.00 34.95 33.45 1uil s ARG 76 CO -0.03 -0.70 0.78 -1.21 -0.81 0.00 0.00 175.30 173.33 1uil s GLU 77 N 1.61 2.44 -0.35 5.12 0.41 -0.87 -4.94 118.70 122.13 1uil s GLU 77 Ca 0.19 -0.95 0.09 0.00 -0.41 0.00 0.00 54.97 53.89 1uil s GLU 77 Cb 0.02 -2.51 0.45 0.00 -1.78 0.00 0.00 34.13 30.30 1uil s GLU 77 CO -0.10 -0.77 1.12 1.58 -0.49 0.00 0.00 175.26 176.60 1uil n HIS 78 N -2.34 2.72 -0.36 1.61 -0.00 -1.26 -2.18 115.22 113.41 1uil n HIS 78 Ca 0.09 -2.66 -0.14 0.00 -0.00 0.00 0.00 57.72 55.02 1uil n HIS 78 Cb 0.60 -0.22 0.13 0.00 -0.00 0.00 0.00 29.99 30.50 1uil n HIS 78 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 1uil n GLY 79 N -0.53 -2.18 0.04 1.57 0.00 -1.25 -4.77 105.19 98.08 1uil n GLY 79 Ca 0.34 -0.71 -0.03 0.00 0.00 0.00 0.00 46.02 45.62 1uil n GLY 79 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1uil n SER 80 N -1.87 0.98 -4.93 1.61 7.64 -1.26 -3.64 113.62 112.15 1uil n SER 80 Ca 0.06 0.34 -0.28 0.00 1.01 0.00 0.00 58.87 60.00 1uil n SER 80 Cb 0.27 -0.67 -0.04 0.00 -1.01 0.00 0.00 64.21 62.77 1uil n SER 80 CO 0.00 0.00 0.00 0.20 -3.01 0.00 0.00 175.04 172.23 1uil s ASN 81 N -4.81 6.30 0.26 6.43 0.01 -1.26 -3.77 114.94 118.10 1uil s ASN 81 Ca -0.11 0.20 -0.11 0.00 -0.71 0.00 0.00 52.86 52.13 1uil s ASN 81 Cb 0.01 -1.91 0.37 0.00 0.41 0.00 0.00 41.25 40.14 1uil s ASN 81 CO 0.16 0.10 1.57 0.11 -1.51 0.00 0.00 177.10 177.53 1uil h LYS 82 N 2.57 -0.01 0.00 -0.60 1.57 -1.94 0.14 116.57 118.30 1uil h LYS 82 Ca -0.47 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.31 1uil h LYS 82 Cb 1.18 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.49 1uil h LYS 82 CO 0.71 -0.01 0.00 1.63 -0.57 0.00 0.00 179.45 181.22 1uil n LYS 83 N -5.57 0.00 0.00 3.15 4.76 -1.26 0.54 118.16 119.79 1uil n LYS 83 Ca 0.13 0.64 0.00 0.00 -2.87 0.00 0.00 58.31 56.21 1uil n LYS 83 Cb 0.45 -1.44 0.00 0.00 -1.84 0.00 0.00 35.03 32.20 1uil n LYS 83 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31 1uil n LEU 84 N -2.19 0.00 -0.20 -0.35 4.77 -0.41 0.75 117.00 119.36 1uil n LEU 84 Ca 0.00 0.87 -0.05 0.00 -0.03 0.00 0.00 56.01 56.79 1uil n LEU 84 Cb 0.00 -0.38 -0.05 0.00 -2.33 0.00 0.00 43.42 40.66 1uil n LEU 84 CO 0.00 -0.38 0.45 0.00 -1.33 0.00 0.00 177.39 176.12 1uil n ALA 85 N -2.55 -0.30 -0.16 -1.18 0.00 0.36 -0.48 120.51 116.19 1uil n ALA 85 Ca 0.00 0.40 -0.06 0.00 0.00 0.00 0.00 53.44 53.79 1uil n ALA 85 Cb 0.00 0.15 -0.05 0.00 0.00 0.00 0.00 19.45 19.55 1uil n ALA 85 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1uil h ALA 86 N -0.20 -0.36 -0.96 0.00 0.00 0.15 0.35 119.26 118.24 1uil h ALA 86 Ca 0.08 0.04 0.10 0.00 0.00 0.00 0.00 54.91 55.12 1uil h ALA 86 Cb 0.20 1.10 -0.12 0.00 0.00 0.00 0.00 17.79 18.96 1uil h ALA 86 CO -0.45 -0.54 -0.54 1.04 0.00 0.00 0.00 179.25 178.77 1uil n GLN 87 N -4.08 -0.39 -0.23 0.00 6.02 0.23 0.11 117.38 119.03 1uil n GLN 87 Ca 0.00 1.46 0.04 0.00 -0.01 0.00 0.00 57.00 58.48 1uil n GLN 87 Cb 0.14 -2.14 0.16 0.00 1.02 0.00 0.00 30.24 29.42 1uil n GLN 87 CO 0.00 0.00 0.00 0.77 -1.01 0.00 0.00 177.06 176.82 1uil h SER 88 N 0.00 0.12 -0.11 1.08 0.02 0.11 0.19 113.55 114.96 1uil h SER 88 Ca 0.18 0.12 0.05 0.00 -0.84 0.00 0.00 61.79 61.30 1uil h SER 88 Cb 0.42 0.14 -0.06 0.00 0.14 0.00 0.00 62.40 63.04 1uil h SER 88 CO -0.91 0.04 -0.26 0.00 -1.14 0.00 0.00 176.83 174.56 1uil h ALA 90 N 0.58 -0.61 -1.54 0.00 0.00 0.11 0.53 119.26 118.32 1uil h ALA 90 Ca 0.10 -0.01 0.49 0.00 0.00 0.00 0.00 54.91 55.48 1uil h ALA 90 Cb 0.48 0.46 -0.11 0.00 0.00 0.00 0.00 17.79 18.61 1uil h ALA 90 CO -0.31 -0.62 1.04 1.25 0.00 0.00 0.00 179.25 180.62 1uil h LEU 91 N -0.06 0.14 0.02 0.00 5.85 -0.89 1.45 115.31 121.83 1uil h LEU 91 Ca -0.00 0.09 0.01 0.00 0.84 0.00 0.00 57.88 58.82 1uil h LEU 91 Cb 0.06 0.09 -0.01 0.00 0.37 0.00 0.00 40.66 41.17 1uil h LEU 91 CO -0.02 -0.14 -0.04 -1.28 -0.34 0.00 0.00 178.44 176.62 1uil h SER 92 N 0.03 -0.12 0.17 1.25 0.87 0.17 0.72 113.55 116.65 1uil h SER 92 Ca 0.87 0.02 -0.01 0.00 -1.23 0.00 0.00 61.79 61.43 1uil h SER 92 Cb 3.02 0.05 0.00 0.00 -0.44 0.00 0.00 62.40 65.02 1uil h SER 92 CO -0.29 -0.07 -0.08 -0.07 -0.53 0.00 0.00 176.83 175.79 1uil h LEU 93 N -0.08 -0.20 -0.73 2.23 -0.00 0.27 -2.62 115.31 114.19 1uil h LEU 93 Ca 0.01 -0.34 0.16 0.00 -0.00 0.00 0.00 57.88 57.71 1uil h LEU 93 Cb 0.10 0.05 -0.12 0.00 -0.00 0.00 0.00 40.66 40.69 1uil h LEU 93 CO -0.03 0.33 0.06 0.58 -0.00 0.00 0.00 178.44 179.38 1uil h VAL 94 N -0.83 0.41 0.21 1.22 2.07 -0.47 0.52 116.25 119.38 1uil h VAL 94 Ca -0.02 -0.05 0.01 0.00 0.82 0.00 0.00 66.70 67.46 1uil h VAL 94 Cb 0.52 0.25 -0.04 0.00 -1.52 0.00 0.00 31.29 30.51 1uil h VAL 94 CO 0.04 0.03 -0.38 0.03 0.02 0.00 0.00 177.57 177.31 1uil h ARG 95 N 0.15 -0.64 -0.16 1.57 3.08 0.44 -0.99 114.38 117.83 1uil h ARG 95 Ca 0.40 0.04 0.04 0.00 0.07 0.00 0.00 59.98 60.53 1uil h ARG 95 Cb 0.70 0.15 -0.04 0.00 0.08 0.00 0.00 29.97 30.85 1uil h ARG 95 CO -0.60 -0.43 -0.08 1.96 -1.07 0.00 0.00 179.97 179.76 1uil h GLN 96 N -0.67 -0.06 -0.24 0.04 4.20 -0.68 -2.06 115.11 115.65 1uil h GLN 96 Ca 0.01 0.00 0.02 0.00 0.06 0.00 0.00 58.65 58.75 1uil h GLN 96 Cb 0.66 0.01 -0.04 0.00 0.30 0.00 0.00 27.48 28.41 1uil h GLN 96 CO -0.17 -0.04 -0.24 -0.07 -0.67 0.00 0.00 178.83 177.64 1uil h LEU 97 N -0.06 -0.81 -1.23 1.46 3.38 0.35 0.52 115.31 118.91 1uil h LEU 97 Ca 0.09 0.11 0.34 0.00 0.09 0.00 0.00 57.88 58.51 1uil h LEU 97 Cb 0.20 0.34 -0.13 0.00 0.09 0.00 0.00 40.66 41.16 1uil h LEU 97 CO -0.20 -0.15 0.68 0.22 0.09 0.00 0.00 178.44 179.08 1uil h TYR 98 N -0.12 0.73 0.59 1.13 3.20 -0.98 0.35 116.97 121.87 1uil h TYR 98 Ca 0.04 0.03 -0.03 0.00 3.14 0.00 0.00 58.73 61.91 1uil h TYR 98 Cb 0.23 -0.20 0.01 0.00 1.54 0.00 0.00 36.73 38.31 1uil h TYR 98 CO -0.74 -0.10 -0.28 1.12 -1.64 0.00 0.00 178.16 176.51 1uil h HIS 99 N 0.28 -0.74 -0.29 -3.82 2.07 0.56 -3.13 115.15 110.09 1uil h HIS 99 Ca 0.71 -0.02 0.06 0.00 -2.85 0.00 0.00 60.37 58.28 1uil h HIS 99 Cb 1.87 0.24 -0.06 0.00 2.57 0.00 0.00 27.41 32.04 1uil h HIS 99 CO -0.01 -0.41 -0.10 -0.07 -3.07 0.00 0.00 177.93 174.28 1uil h LEU 100 N -0.98 -0.35 0.00 6.12 3.38 0.22 -3.46 115.31 120.24 1uil h LEU 100 Ca -0.08 0.10 0.00 0.00 0.09 0.00 0.00 57.88 57.99 1uil h LEU 100 Cb 0.66 0.21 0.00 0.00 0.09 0.00 0.00 40.66 41.62 1uil h LEU 100 CO 0.13 -0.13 0.00 0.61 0.09 0.00 0.00 178.44 179.14 1uil n GLY 101 N -1.27 0.84 0.12 0.83 0.00 0.97 -5.07 105.19 101.61 1uil n GLY 101 Ca -0.00 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.77 1uil n GLY 101 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1uil n VAL 102 N 0.00 1.53 -2.94 1.61 0.24 -1.02 -5.01 118.33 112.73 1uil n VAL 102 Ca 0.00 -0.19 0.00 0.00 -2.04 0.00 0.00 64.34 62.11 1uil n VAL 102 Cb 0.00 -1.99 0.00 0.00 -1.47 0.00 0.00 33.84 30.38 1uil n VAL 102 CO 0.00 0.00 0.00 2.30 -2.14 0.00 0.00 176.83 176.99 1uil n ILE 103 N -4.35 0.00 -3.87 1.34 -5.35 -1.26 -5.00 119.36 100.87 1uil n ILE 103 Ca -0.42 0.00 -0.13 0.00 -0.27 0.00 0.00 62.75 61.93 1uil n ILE 103 Cb 0.76 -1.00 -0.15 0.00 -1.74 0.00 0.00 39.64 37.51 1uil n ILE 103 CO 0.00 0.00 0.00 -1.83 -1.76 0.00 0.00 176.55 172.96 1uil s GLU 104 N -1.75 0.02 -0.49 6.28 -1.05 -1.26 -4.76 118.70 115.70 1uil s GLU 104 Ca 0.00 0.03 -0.45 0.00 -0.15 0.00 0.00 54.97 54.40 1uil s GLU 104 Cb 0.00 -0.09 -0.19 0.00 -0.44 0.00 0.00 34.13 33.41 1uil s GLU 104 CO 0.00 -0.03 1.58 0.00 0.95 0.00 0.00 175.26 177.76 1uil n ALA 105 N 3.34 -1.22 -1.00 -0.84 0.00 -1.26 -4.89 120.51 114.64 1uil n ALA 105 Ca -0.16 0.47 0.00 0.00 0.00 0.00 0.00 53.44 53.75 1uil n ALA 105 Cb 0.57 -1.87 0.00 0.00 0.00 0.00 0.00 19.45 18.15 1uil n ALA 105 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 177.50 178.48 1uil n TYR 106 N 4.09 -0.83 -1.81 0.00 4.19 -1.26 -4.88 117.16 116.65 1uil n TYR 106 Ca 0.32 0.00 -0.02 0.00 3.31 0.00 0.00 57.90 61.51 1uil n TYR 106 Cb -0.06 0.00 -0.01 0.00 0.49 0.00 0.00 39.34 39.77 1uil n TYR 106 CO 0.00 0.00 0.00 0.43 0.91 0.00 0.00 176.86 178.20 1uil n SER 107 N 0.00 -0.28 -4.29 2.98 7.64 -1.26 -4.51 113.62 113.91 1uil n SER 107 Ca 0.00 -0.67 -0.34 0.00 1.01 0.00 0.00 58.87 58.87 1uil n SER 107 Cb 0.00 0.10 0.11 0.00 -1.01 0.00 0.00 64.21 63.40 1uil n SER 107 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 1uil n SER 108 N -0.08 -3.07 -4.46 6.43 2.88 -1.26 -4.97 113.62 109.09 1uil n SER 108 Ca -0.07 0.22 -0.34 0.00 -1.33 0.00 0.00 58.87 57.36 1uil n SER 108 Cb 0.41 -1.04 -0.13 0.00 -0.75 0.00 0.00 64.21 62.70 1uil n SER 108 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 1uil s GLY 109 N -1.72 1.67 -0.69 0.46 0.00 -1.26 -5.00 107.32 100.78 1uil s GLY 109 Ca 0.52 -0.85 -0.06 0.00 0.00 0.00 0.00 44.72 44.33 1uil s GLY 109 CO 0.71 -0.08 2.64 -1.55 0.00 0.00 0.00 173.10 174.82 1uil n PRO 110 N 3.58 2.23 0.00 2.90 -0.04 -1.26 -4.75 135.00 137.66 1uil n PRO 110 Ca -0.18 -1.33 0.00 0.00 -0.04 0.00 0.00 63.50 61.95 1uil n PRO 110 Cb 0.52 -2.29 0.00 0.00 -0.04 0.00 0.00 33.50 31.70 1uil n PRO 110 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1uil n SER 111 N 3.37 0.00 -3.15 3.54 2.88 -1.26 -4.10 113.62 114.90 1uil n SER 111 Ca 0.48 0.00 0.04 0.00 -1.33 0.00 0.00 58.87 58.06 1uil n SER 111 Cb 0.40 0.00 -0.00 0.00 -0.75 0.00 0.00 64.21 63.86 1uil n SER 111 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 1uil s SER 112 N 0.00 -1.24 0.00 -3.46 0.01 -1.26 -5.30 113.70 102.46 1uil s SER 112 Ca 0.00 0.15 0.00 0.00 1.31 0.00 0.00 55.95 57.41 1uil s SER 112 Cb 0.00 1.79 0.00 0.00 0.21 0.00 0.00 66.02 68.02 1uil s SER 112 CO 0.00 -0.23 0.00 0.61 0.41 0.00 0.00 173.24 174.03