#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1uil n SER 2 N 0.00 0.00 -3.63 1.61 3.41 -1.26 -5.18 113.62 108.58 1uil n SER 2 Ca 0.00 0.00 -0.03 0.00 -0.26 0.00 0.00 58.87 58.58 1uil n SER 2 Cb 0.00 0.00 -0.02 0.00 -0.26 0.00 0.00 64.21 63.93 1uil n SER 2 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 1uil s SER 3 N 0.00 -0.06 0.00 4.04 1.04 -1.26 -5.10 113.70 112.37 1uil s SER 3 Ca 0.00 0.00 0.00 0.00 0.48 0.00 0.00 55.95 56.43 1uil s SER 3 Cb 0.00 0.06 0.00 0.00 0.10 0.00 0.00 66.02 66.18 1uil s SER 3 CO 0.00 -0.10 0.00 0.61 0.98 0.00 0.00 173.24 174.73 1uil n GLY 4 N -0.04 -0.46 2.96 7.32 0.00 -1.26 -5.09 105.19 108.62 1uil n GLY 4 Ca 0.04 0.25 -0.01 0.00 0.00 0.00 0.00 46.02 46.29 1uil n GLY 4 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1uil n SER 5 N 0.00 -5.92 -3.34 1.61 3.41 -1.26 -5.02 113.62 103.10 1uil n SER 5 Ca 0.00 0.96 -0.02 0.00 -0.26 0.00 0.00 58.87 59.54 1uil n SER 5 Cb 0.00 -2.92 -0.05 0.00 -0.26 0.00 0.00 64.21 60.98 1uil n SER 5 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 1uil s SER 6 N -0.69 -0.68 0.00 4.04 1.04 -1.26 -5.07 113.70 111.08 1uil s SER 6 Ca -0.06 0.76 0.00 0.00 0.48 0.00 0.00 55.95 57.13 1uil s SER 6 Cb 0.00 1.74 0.00 0.00 0.10 0.00 0.00 66.02 67.86 1uil s SER 6 CO 0.29 -0.26 0.00 0.61 0.98 0.00 0.00 173.24 174.85 1uil n GLY 7 N 5.41 0.74 3.82 7.32 0.00 -1.26 -5.15 105.19 116.07 1uil n GLY 7 Ca -0.04 -0.82 -0.26 0.00 0.00 0.00 0.00 46.02 44.90 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 2.90 -1.55 0.99 1.02 -1.26 -4.68 118.68 116.10 1uil s LEU 8 Ca 0.00 -1.16 -0.02 0.00 0.02 0.00 0.00 54.13 52.97 1uil s LEU 8 Cb 0.00 -1.35 0.02 0.00 0.02 0.00 0.00 46.19 44.88 1uil s LEU 8 CO 0.00 -0.81 0.12 -1.84 0.02 0.00 0.00 176.35 173.84 1uil n GLU 9 N -1.49 -1.34 -1.63 1.70 0.28 -1.26 -4.66 120.64 112.25 1uil n GLU 9 Ca -0.03 0.15 -0.15 0.00 -0.16 0.00 0.00 57.16 56.97 1uil n GLU 9 Cb 0.64 -3.83 -0.10 0.00 1.43 0.00 0.00 31.44 29.58 1uil n GLU 9 CO 0.00 0.00 0.00 -1.12 -0.16 0.00 0.00 177.13 175.85 1uil s SER 10 N -4.29 3.64 -0.09 -1.84 0.01 -1.26 -4.81 113.70 105.06 1uil s SER 10 Ca 0.07 -0.73 -0.02 0.00 1.31 0.00 0.00 55.95 56.58 1uil s SER 10 Cb -0.04 -2.58 0.04 0.00 0.21 0.00 0.00 66.02 63.64 1uil s SER 10 CO 0.98 -4.44 0.05 -1.83 0.41 0.00 0.00 173.24 168.41 1uil s GLU 11 N 8.47 0.21 -0.33 12.44 -1.05 -1.26 -5.02 118.70 132.15 1uil s GLU 11 Ca 0.84 0.14 0.17 0.00 -0.15 0.00 0.00 54.97 55.96 1uil s GLU 11 Cb -0.07 -1.05 0.45 0.00 -0.44 0.00 0.00 34.13 33.03 1uil s GLU 11 CO 0.15 -0.42 0.96 -1.91 0.95 0.00 0.00 175.26 174.99 1uil n GLU 12 N 5.23 1.37 -4.16 -4.83 0.00 -1.26 -5.09 120.64 111.91 1uil n GLU 12 Ca -0.05 -3.38 -0.11 0.00 0.00 0.00 0.00 57.16 53.61 1uil n GLU 12 Cb 0.50 -1.35 -0.10 0.00 0.00 0.00 0.00 31.44 30.48 1uil n GLU 12 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.13 177.21 1uil s VAL 13 N -3.36 0.68 0.48 6.31 1.01 -1.26 -5.06 120.40 119.20 1uil s VAL 13 Ca 0.29 -1.84 0.07 0.00 0.00 0.00 0.00 61.98 60.51 1uil s VAL 13 Cb 0.45 -1.56 0.02 0.00 0.00 0.00 0.00 36.38 35.29 1uil s VAL 13 CO 0.02 -0.82 0.46 -1.81 0.00 0.00 0.00 175.10 172.95 1uil s ASP 14 N -2.88 4.94 0.00 3.32 1.11 -1.26 -5.07 116.67 116.83 1uil s ASP 14 Ca 0.09 -0.92 0.00 0.00 0.18 0.00 0.00 52.55 51.91 1uil s ASP 14 Cb 0.04 -0.11 0.00 0.00 1.07 0.00 0.00 42.92 43.92 1uil s ASP 14 CO -0.04 -0.92 0.00 -0.11 1.18 0.00 0.00 175.17 175.28 1uil n LEU 15 N -1.74 0.00 -0.05 1.23 -0.00 -1.26 -4.62 117.00 110.56 1uil n LEU 15 Ca 0.04 0.00 -0.22 0.00 -0.00 0.00 0.00 56.01 55.83 1uil n LEU 15 Cb 0.62 -0.14 -0.13 0.00 -0.00 0.00 0.00 43.42 43.77 1uil n LEU 15 CO 0.41 -0.34 -0.62 0.78 -0.00 0.00 0.00 177.39 177.62 1uil h ASN 16 N 0.00 0.21 0.00 1.96 2.35 -1.99 -3.32 115.58 114.79 1uil h ASN 16 Ca 0.00 -0.73 0.00 0.00 -0.55 0.00 0.00 56.30 55.02 1uil h ASN 16 Cb 0.00 -0.07 0.00 0.00 0.05 0.00 0.00 38.32 38.30 1uil h ASN 16 CO 0.00 1.65 0.03 0.00 -1.65 0.00 0.00 177.43 177.46 1uil h ALA 17 N -0.22 1.02 -0.37 -0.83 0.00 -1.93 -1.16 119.26 115.78 1uil h ALA 17 Ca -0.37 0.00 0.11 0.00 0.00 0.00 0.00 54.91 54.65 1uil h ALA 17 Cb 1.64 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 19.42 1uil h ALA 17 CO -0.06 -0.02 0.35 0.78 0.00 0.00 0.00 179.25 180.30 1uil h GLY 18 N 0.00 0.00 0.16 0.00 0.00 -1.82 1.56 103.07 102.97 1uil h GLY 18 Ca 0.00 0.00 -0.37 0.00 0.00 0.00 0.00 47.33 46.96 1uil h GLY 18 CO 0.00 0.00 -2.12 1.04 0.00 0.00 0.00 176.54 175.46 1uil n LEU 19 N -3.93 2.41 0.00 3.11 7.99 -0.44 -4.80 117.00 121.34 1uil n LEU 19 Ca 0.06 0.19 0.00 0.00 -0.01 0.00 0.00 56.01 56.25 1uil n LEU 19 Cb 0.52 -0.96 0.00 0.00 -0.11 0.00 0.00 43.42 42.88 1uil n LEU 19 CO 0.30 0.69 0.00 0.00 -1.51 0.00 0.00 177.39 176.87 1uil n HIS 20 N -3.80 0.00 0.00 -1.77 1.44 -0.71 -5.09 115.22 105.29 1uil n HIS 20 Ca -0.42 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.29 1uil n HIS 20 Cb 0.92 -0.09 0.00 0.00 0.12 0.00 0.00 29.99 30.93 1uil n HIS 20 CO 0.00 0.00 0.00 0.41 -2.81 0.00 0.00 176.34 173.94 1uil n GLY 21 N 1.73 3.51 2.29 -1.39 0.00 0.52 -4.89 105.19 106.96 1uil n GLY 21 Ca 0.00 -1.37 -0.34 0.00 0.00 0.00 0.00 46.02 44.31 1uil n GLY 21 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1uil n ASN 22 N 0.00 8.00 -4.30 1.61 3.02 -1.26 -4.82 115.26 117.50 1uil n ASN 22 Ca 0.00 -2.66 -0.45 0.00 -0.03 0.00 0.00 54.58 51.44 1uil n ASN 22 Cb 0.00 -1.50 -0.05 0.00 -0.61 0.00 0.00 39.78 37.62 1uil n ASN 22 CO 0.00 0.00 0.00 0.26 -2.62 0.00 0.00 177.26 174.90 1uil s TRP 23 N 1.36 3.28 0.13 3.10 0.52 -1.26 -4.41 118.94 121.66 1uil s TRP 23 Ca 0.67 -1.36 -0.09 0.00 0.02 0.00 0.00 56.10 55.33 1uil s TRP 23 Cb 0.21 -3.77 -0.06 0.00 -1.15 0.00 0.00 33.47 28.70 1uil s TRP 23 CO -0.06 -1.02 0.45 0.95 0.02 0.00 0.00 176.95 177.29 1uil s THR 24 N 1.56 5.04 0.22 2.01 -4.23 -1.26 -4.76 115.64 114.21 1uil s THR 24 Ca 0.03 0.43 0.07 0.00 -1.18 0.00 0.00 61.69 61.04 1uil s THR 24 Cb -0.29 -3.65 0.25 0.00 1.34 0.00 0.00 72.50 70.15 1uil s THR 24 CO 0.02 0.17 1.01 0.18 -0.54 0.00 0.00 174.62 175.46 1uil n LEU 25 N 0.54 0.06 0.27 4.79 4.77 -1.26 0.11 117.00 126.28 1uil n LEU 25 Ca -0.05 1.07 -0.11 0.00 -0.03 0.00 0.00 56.01 56.89 1uil n LEU 25 Cb 0.52 -0.45 -0.05 0.00 -2.33 0.00 0.00 43.42 41.11 1uil n LEU 25 CO 0.44 -1.14 0.38 -0.33 -1.33 0.00 0.00 177.39 175.41 1uil h GLU 26 N 0.00 -0.70 -0.38 3.23 5.08 -1.92 -2.59 114.58 117.30 1uil h GLU 26 Ca 0.46 0.05 0.05 0.00 -1.00 0.00 0.00 59.36 58.91 1uil h GLU 26 Cb 1.09 0.16 -0.08 0.00 0.50 0.00 0.00 28.75 30.43 1uil h GLU 26 CO -0.55 -0.46 -0.52 -0.91 -1.00 0.00 0.00 179.01 175.56 1uil h ASN 27 N -0.94 -1.75 -0.42 1.42 -0.26 0.38 -1.12 115.58 112.88 1uil h ASN 27 Ca -0.07 0.23 0.04 0.00 -0.56 0.00 0.00 56.30 55.93 1uil h ASN 27 Cb 0.55 0.72 -0.05 0.00 -1.06 0.00 0.00 38.32 38.48 1uil h ASN 27 CO 0.12 -0.38 -0.25 0.00 -1.06 0.00 0.00 177.43 175.86 1uil n ALA 28 N -3.06 -0.27 -0.30 -0.83 0.00 0.11 0.12 120.51 116.28 1uil n ALA 28 Ca -0.03 0.36 0.00 0.00 0.00 0.00 0.00 53.44 53.76 1uil n ALA 28 Cb 0.32 0.16 0.00 0.00 0.00 0.00 0.00 19.45 19.93 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 -3.94 0.00 -0.54 0.00 4.81 -0.65 0.87 118.16 118.72 1uil n LYS 29 Ca 0.01 0.77 0.44 0.00 -0.87 0.00 0.00 58.31 58.65 1uil n LYS 29 Cb 0.11 -1.35 0.72 0.00 0.02 0.00 0.00 35.03 34.53 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 -1.41 3.13 0.40 3.14 0.00 -0.10 0.28 119.26 124.69 1uil h ALA 30 Ca 0.00 0.07 -0.02 0.00 0.00 0.00 0.00 54.91 54.96 1uil h ALA 30 Cb 0.00 0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.01 1uil h ALA 30 CO 0.00 -1.77 -0.19 -0.09 0.00 0.00 0.00 179.25 177.20 1uil h ARG 31 N 0.02 -0.52 -0.92 0.00 1.12 0.75 -2.08 114.38 112.74 1uil h ARG 31 Ca 0.89 0.04 0.12 0.00 -1.11 0.00 0.00 59.98 59.91 1uil h ARG 31 Cb 3.06 0.12 -0.13 0.00 -0.01 0.00 0.00 29.97 33.01 1uil h ARG 31 CO -0.32 -0.35 -0.48 1.25 -3.11 0.00 0.00 179.97 176.96 1uil h LEU 32 N -0.66 -1.76 -0.87 3.80 5.85 0.33 1.49 115.31 123.49 1uil h LEU 32 Ca -0.05 0.31 0.22 0.00 0.84 0.00 0.00 57.88 59.20 1uil h LEU 32 Cb 0.41 0.83 -0.13 0.00 0.37 0.00 0.00 40.66 42.14 1uil h LEU 32 CO 0.09 -0.27 0.28 0.78 -0.34 0.00 0.00 178.44 178.98 1uil h ASN 33 N -0.04 0.11 -0.44 1.25 4.21 -1.33 0.64 115.58 119.98 1uil h ASN 33 Ca 0.24 0.18 -0.08 0.00 1.21 0.00 0.00 56.30 57.84 1uil h ASN 33 Cb 0.51 0.21 -0.01 0.00 -1.12 0.00 0.00 38.32 37.91 1uil h ASN 33 CO -0.92 -0.09 -0.05 1.56 -1.29 0.00 0.00 177.43 176.64 1uil h GLN 34 N 0.28 0.81 -0.04 0.81 1.08 0.25 0.80 115.11 119.10 1uil h GLN 34 Ca 0.54 -0.28 -0.04 0.00 -1.45 0.00 0.00 58.65 57.42 1uil h GLN 34 Cb 1.05 -0.06 -0.01 0.00 -0.05 0.00 0.00 27.48 28.42 1uil h GLN 34 CO -0.60 0.90 -0.14 -0.92 -0.95 0.00 0.00 178.83 177.12 1uil h TYR 35 N 0.65 0.06 0.00 2.96 3.20 0.51 0.81 116.97 125.16 1uil h TYR 35 Ca 0.12 -0.00 -0.11 0.00 3.14 0.00 0.00 58.73 61.87 1uil h TYR 35 Cb 0.56 -0.02 -0.02 0.00 1.54 0.00 0.00 36.73 38.80 1uil h TYR 35 CO 0.04 0.20 -0.84 0.74 -1.64 0.00 0.00 178.16 176.66 1uil h PHE 36 N 0.05 0.00 0.04 -3.82 0.04 0.35 -2.37 116.94 111.23 1uil h PHE 36 Ca 0.01 0.00 -0.29 0.00 2.80 0.00 0.00 57.97 60.49 1uil h PHE 36 Cb 0.29 0.00 -0.03 0.00 2.20 0.00 0.00 35.95 38.40 1uil h PHE 36 CO 0.00 0.44 -1.58 1.96 -0.60 0.00 0.00 178.31 178.54 1uil h GLN 37 N 0.00 0.08 0.12 1.51 1.08 0.03 0.26 115.11 118.20 1uil h GLN 37 Ca -0.06 -0.14 -0.01 0.00 -1.45 0.00 0.00 58.65 56.99 1uil h GLN 37 Cb 1.39 0.05 0.00 0.00 -0.05 0.00 0.00 27.48 28.88 1uil h GLN 37 CO 0.05 0.79 -0.06 0.87 -0.95 0.00 0.00 178.83 179.53 1uil h LYS 38 N 0.02 -0.16 0.00 1.46 1.79 0.52 -3.25 116.57 116.95 1uil h LYS 38 Ca -0.24 0.01 0.00 0.00 -2.18 0.00 0.00 60.65 58.24 1uil h LYS 38 Cb 1.97 0.04 0.00 0.00 -1.58 0.00 0.00 32.23 32.66 1uil h LYS 38 CO 0.11 0.26 0.00 0.93 -1.08 0.00 0.00 179.45 179.67 1uil h GLU 39 N -0.93 0.00 -0.08 3.15 4.39 -1.60 -3.46 114.58 116.04 1uil h GLU 39 Ca -0.02 0.00 -0.04 0.00 0.34 0.00 0.00 59.36 59.65 1uil h GLU 39 Cb 0.50 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.13 1uil h GLU 39 CO 0.03 0.00 -0.03 1.63 -1.16 0.00 0.00 179.01 179.47 1uil n LYS 40 N -2.45 -0.21 -1.47 2.33 4.76 -0.53 -5.01 118.16 115.58 1uil n LYS 40 Ca 0.03 0.41 -0.30 0.00 -2.87 0.00 0.00 58.31 55.58 1uil n LYS 40 Cb 0.34 -3.88 0.09 0.00 -1.84 0.00 0.00 35.03 29.74 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 -2.02 3.16 -0.06 -0.18 1.01 0.81 -4.92 121.20 119.00 1uil s ILE 41 Ca 0.00 0.38 0.01 0.00 0.00 0.00 0.00 60.65 61.03 1uil s ILE 41 Cb 0.00 -3.05 0.02 0.00 0.01 0.00 0.00 42.46 39.44 1uil s ILE 41 CO 0.00 -0.49 -0.05 0.00 0.00 0.00 0.00 174.94 174.40 1uil s GLN 42 N -5.08 0.95 -0.12 2.79 0.00 -1.26 -4.47 119.66 112.47 1uil s GLN 42 Ca 0.61 -0.12 -0.08 0.00 -0.00 0.00 0.00 55.36 55.77 1uil s GLN 42 Cb -0.15 -0.99 0.04 0.00 0.00 0.00 0.00 33.01 31.91 1uil s GLN 42 CO 0.55 -0.12 0.30 0.20 0.00 0.00 0.00 175.29 176.22 1uil s GLY 43 N 1.13 -0.22 -0.05 2.60 0.00 -1.26 -5.09 107.32 104.44 1uil s GLY 43 Ca -0.07 1.05 0.05 0.00 0.00 0.00 0.00 44.72 45.75 1uil s GLY 43 CO -0.01 1.13 -0.22 -1.83 0.00 0.00 0.00 173.10 172.18 1uil s GLU 44 N 0.83 2.18 -0.10 2.90 -1.05 -1.26 -5.10 118.70 117.11 1uil s GLU 44 Ca -0.05 -0.78 -0.30 0.00 -0.15 0.00 0.00 54.97 53.69 1uil s GLU 44 Cb -0.07 -1.88 -0.03 0.00 -0.44 0.00 0.00 34.13 31.71 1uil s GLU 44 CO -0.06 0.33 1.37 0.71 0.95 0.00 0.00 175.26 178.56 1uil s TYR 45 N -0.11 2.69 -0.53 4.83 1.51 -1.26 -4.71 117.35 119.77 1uil s TYR 45 Ca -0.03 0.81 -0.23 0.00 -1.01 0.00 0.00 57.07 56.61 1uil s TYR 45 Cb -0.12 -3.62 0.04 0.00 -0.11 0.00 0.00 41.96 38.15 1uil s TYR 45 CO 0.03 -2.28 0.88 0.21 -1.11 0.00 0.00 175.55 173.28 1uil s LYS 46 N 3.26 3.31 -0.29 -0.62 2.47 0.13 -4.79 119.74 123.20 1uil s LYS 46 Ca 0.61 -0.34 -0.20 0.00 -1.56 0.00 0.00 55.97 54.48 1uil s LYS 46 Cb -0.26 -4.05 -0.01 0.00 -1.46 0.00 0.00 37.83 32.05 1uil s LYS 46 CO 0.21 -1.41 0.64 0.71 0.16 0.00 0.00 175.35 175.65 1uil s TYR 47 N 3.70 3.23 -0.33 4.03 2.02 -1.23 0.12 117.35 128.89 1uil s TYR 47 Ca 0.28 0.66 -0.06 0.00 -0.37 0.00 0.00 57.07 57.57 1uil s TYR 47 Cb -0.13 -2.96 0.03 0.00 -0.40 0.00 0.00 41.96 38.50 1uil s TYR 47 CO 0.19 -0.44 0.09 0.99 -1.57 0.00 0.00 175.55 174.81 1uil s THR 48 N 2.60 3.78 0.09 -0.71 2.01 0.39 -4.72 115.64 119.08 1uil s THR 48 Ca 0.26 -1.04 -0.31 0.00 0.31 0.00 0.00 61.69 60.92 1uil s THR 48 Cb -0.15 -3.09 -0.06 0.00 0.01 0.00 0.00 72.50 69.20 1uil s THR 48 CO 0.11 -0.11 1.21 -1.58 -0.69 0.00 0.00 174.62 173.56 1uil s GLN 49 N 1.42 4.44 0.28 4.92 0.74 -1.26 0.13 119.66 130.33 1uil s GLN 49 Ca -0.01 1.80 0.02 0.00 0.05 0.00 0.00 55.36 57.22 1uil s GLN 49 Cb -0.19 -3.32 -0.05 0.00 1.10 0.00 0.00 33.01 30.55 1uil s GLN 49 CO 0.02 -0.23 0.11 0.14 -0.55 0.00 0.00 175.29 174.79 1uil s VAL 50 N 0.84 0.54 0.22 1.34 -7.23 0.40 -4.94 120.40 111.57 1uil s VAL 50 Ca 0.58 -2.00 0.00 0.00 -1.81 0.00 0.00 61.98 58.75 1uil s VAL 50 Cb -0.30 -2.61 0.00 0.00 0.56 0.00 0.00 36.38 34.03 1uil s VAL 50 CO 0.31 0.00 0.00 0.61 -0.31 0.00 0.00 175.10 175.71 1uil n GLY 51 N -0.52 -1.86 3.82 2.32 0.00 -1.26 -1.65 105.19 106.03 1uil n GLY 51 Ca -0.00 -1.31 -0.31 0.00 0.00 0.00 0.00 46.02 44.40 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 -2.03 2.97 0.11 1.61 0.04 -1.12 -4.68 135.00 131.90 1uil s PRO 52 Ca 0.00 0.97 -0.29 0.00 0.04 0.00 0.00 61.00 61.73 1uil s PRO 52 Cb 0.00 -1.99 -0.10 0.00 0.04 0.00 0.00 34.50 32.45 1uil s PRO 52 CO 0.00 -1.07 1.62 0.22 0.04 0.00 0.00 177.00 177.81 1uil h ASP 53 N -0.62 -0.88 -1.07 6.66 1.82 -1.97 0.33 116.42 120.69 1uil h ASP 53 Ca -0.44 0.09 0.39 0.00 -0.39 0.00 0.00 57.03 56.68 1uil h ASP 53 Cb 1.21 0.32 -0.16 0.00 0.68 0.00 0.00 39.33 41.38 1uil h ASP 53 CO 0.57 -0.42 0.62 1.12 -1.61 0.00 0.00 179.24 179.52 1uil h HIS 54 N -0.58 0.80 -2.16 0.28 2.07 -2.00 -3.11 115.15 110.46 1uil h HIS 54 Ca 0.01 0.04 -0.46 0.00 -2.85 0.00 0.00 60.37 57.10 1uil h HIS 54 Cb 0.58 -0.20 -0.34 0.00 2.57 0.00 0.00 27.41 30.02 1uil h HIS 54 CO -0.25 -0.32 -0.79 1.21 -3.07 0.00 0.00 177.93 174.72 1uil s ASN 55 N -4.64 1.56 0.42 3.10 2.47 -0.25 -5.13 114.94 112.46 1uil s ASN 55 Ca -0.09 -2.10 0.07 0.00 0.42 0.00 0.00 52.86 51.16 1uil s ASN 55 Cb 0.32 0.16 -0.06 0.00 -1.45 0.00 0.00 41.25 40.21 1uil s ASN 55 CO 0.79 -0.24 0.09 0.00 -3.72 0.00 0.00 177.10 174.03 1uil s ARG 56 N 0.98 2.09 -0.17 0.43 1.70 0.10 -2.79 118.95 121.30 1uil s ARG 56 Ca 0.22 -2.00 -0.14 0.00 -0.47 0.00 0.00 55.73 53.33 1uil s ARG 56 Cb -0.12 -1.80 0.05 0.00 -0.57 0.00 0.00 34.95 32.50 1uil s ARG 56 CO -0.05 -0.10 0.44 -1.54 -1.08 0.00 0.00 175.30 172.97 1uil s SER 57 N -3.81 -0.47 -0.19 -2.89 1.04 -0.66 -4.96 113.70 101.76 1uil s SER 57 Ca 0.37 0.89 -0.17 0.00 0.48 0.00 0.00 55.95 57.52 1uil s SER 57 Cb 0.07 0.89 -0.04 0.00 0.10 0.00 0.00 66.02 67.04 1uil s SER 57 CO 0.20 -0.16 0.47 -0.36 0.98 0.00 0.00 173.24 174.36 1uil s PHE 58 N 0.39 3.38 -0.52 5.02 0.08 -1.26 -0.45 117.98 124.62 1uil s PHE 58 Ca -0.01 0.72 -0.18 0.00 0.12 0.00 0.00 56.93 57.57 1uil s PHE 58 Cb -0.04 -2.60 0.07 0.00 -0.57 0.00 0.00 43.02 39.88 1uil s PHE 58 CO -0.01 -0.04 0.61 0.42 -0.10 0.00 0.00 175.22 176.09 1uil s ILE 59 N 1.42 4.92 -0.44 0.64 1.01 0.34 -4.00 121.20 125.09 1uil s ILE 59 Ca 0.22 -0.71 -0.24 0.00 0.00 0.00 0.00 60.65 59.92 1uil s ILE 59 Cb -0.15 -4.32 0.02 0.00 0.01 0.00 0.00 42.46 38.03 1uil s ILE 59 CO 0.09 -0.84 0.87 0.00 0.00 0.00 0.00 174.94 175.05 1uil s ALA 60 N 2.47 3.28 -0.04 9.38 0.00 -0.56 0.15 121.76 136.44 1uil s ALA 60 Ca 0.12 -0.83 0.05 0.00 0.00 0.00 0.00 51.96 51.30 1uil s ALA 60 Cb -0.21 -3.55 -0.01 0.00 0.00 0.00 0.00 23.12 19.35 1uil s ALA 60 CO 0.10 -1.93 -0.18 -1.83 0.00 0.00 0.00 175.76 171.92 1uil s GLU 61 N 3.52 1.80 -0.00 0.00 -1.05 0.32 -1.75 118.70 121.54 1uil s GLU 61 Ca 0.34 -0.64 -0.00 0.00 -0.15 0.00 0.00 54.97 54.52 1uil s GLU 61 Cb -0.11 -1.59 -0.00 0.00 -0.44 0.00 0.00 34.13 31.99 1uil s GLU 61 CO 0.24 0.28 0.01 1.41 0.95 0.00 0.00 175.26 178.14 1uil s MET 62 N -0.05 0.05 -0.14 -4.83 1.75 -0.11 0.17 119.30 116.14 1uil s MET 62 Ca -0.02 -0.05 0.01 0.00 -1.25 0.00 0.00 55.69 54.38 1uil s MET 62 Cb -0.11 0.02 0.02 0.00 2.84 0.00 0.00 34.83 37.59 1uil s MET 62 CO 0.02 -0.01 -0.17 0.99 -0.65 0.00 0.00 175.02 175.20 1uil s THR 63 N -0.16 1.77 0.00 10.11 2.01 -1.26 -0.08 115.64 128.04 1uil s THR 63 Ca -0.02 -0.78 0.07 0.00 0.31 0.00 0.00 61.69 61.27 1uil s THR 63 Cb -0.01 -1.61 -0.02 0.00 0.01 0.00 0.00 72.50 70.87 1uil s THR 63 CO -0.00 0.49 -0.22 0.27 -0.69 0.00 0.00 174.62 174.48 1uil s ILE 64 N 1.16 1.71 -0.11 1.82 -4.36 -0.20 -5.00 121.20 116.23 1uil s ILE 64 Ca -0.01 -1.02 -0.04 0.00 -0.26 0.00 0.00 60.65 59.32 1uil s ILE 64 Cb -0.14 -1.44 -0.03 0.00 1.25 0.00 0.00 42.46 42.09 1uil s ILE 64 CO -0.07 0.39 0.03 -0.47 0.24 0.00 0.00 174.94 175.07 1uil s TYR 65 N -0.60 3.24 -0.23 1.37 6.14 -1.26 -0.06 117.35 125.95 1uil s TYR 65 Ca 0.08 0.20 -0.04 0.00 0.64 0.00 0.00 57.07 57.95 1uil s TYR 65 Cb -0.08 -1.86 -0.01 0.00 0.42 0.00 0.00 41.96 40.42 1uil s TYR 65 CO 0.00 0.44 -0.02 0.42 0.64 0.00 0.00 175.55 177.03 1uil s ILE 66 N -0.66 3.50 0.06 3.14 -1.09 0.30 -4.94 121.20 121.49 1uil s ILE 66 Ca 0.11 -0.48 -0.11 0.00 -2.23 0.00 0.00 60.65 57.94 1uil s ILE 66 Cb -0.12 -2.61 -0.31 0.00 -1.58 0.00 0.00 42.46 37.84 1uil s ILE 66 CO 0.02 0.39 1.09 0.07 -1.23 0.00 0.00 174.94 175.28 1uil h LYS 67 N 8.13 0.45 0.00 2.79 2.10 -1.94 0.17 116.57 128.27 1uil h LYS 67 Ca -0.40 -0.71 0.00 0.00 -2.00 0.00 0.00 60.65 57.53 1uil h LYS 67 Cb 1.16 0.26 0.00 0.00 -0.90 0.00 0.00 32.23 32.75 1uil h LYS 67 CO 0.60 1.33 0.00 -0.56 -2.00 0.00 0.00 179.45 178.82 1uil h GLN 68 N 0.15 0.00 0.00 0.07 3.07 -1.93 -2.20 115.11 114.27 1uil h GLN 68 Ca -0.19 0.00 -0.29 0.00 0.09 0.00 0.00 58.65 58.26 1uil h GLN 68 Cb 2.02 0.00 -0.05 0.00 0.08 0.00 0.00 27.48 29.52 1uil h GLN 68 CO 0.24 0.00 -2.11 1.28 0.09 0.00 0.00 178.83 178.33 1uil n LEU 69 N -2.82 2.34 0.00 0.06 4.77 -1.18 -5.01 117.00 115.15 1uil n LEU 69 Ca -0.02 -0.08 0.00 0.00 -0.03 0.00 0.00 56.01 55.87 1uil n LEU 69 Cb 0.08 -0.46 0.00 0.00 -2.33 0.00 0.00 43.42 40.71 1uil n LEU 69 CO 0.17 0.73 0.00 0.61 -1.33 0.00 0.00 177.39 177.58 1uil n GLY 70 N 2.45 0.79 0.51 -0.72 0.00 0.52 -5.05 105.19 103.69 1uil n GLY 70 Ca -0.33 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 45.66 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 -2.07 0.48 -3.93 1.61 -4.01 -0.74 -4.98 116.66 103.01 1uil n ARG 71 Ca 0.00 -0.53 -0.10 0.00 -1.04 0.00 0.00 57.85 56.18 1uil n ARG 71 Cb 0.00 0.36 -0.11 0.00 -3.04 0.00 0.00 32.46 29.66 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 -2.23 0.28 0.12 2.89 1.70 -1.26 0.11 118.95 120.56 1uil s ARG 72 Ca 0.05 -0.42 0.07 0.00 -0.47 0.00 0.00 55.73 54.96 1uil s ARG 72 Cb 0.00 0.10 -0.04 0.00 -0.57 0.00 0.00 34.95 34.45 1uil s ARG 72 CO 0.03 -0.05 -0.08 0.96 -1.08 0.00 0.00 175.30 175.08 1uil s ILE 73 N -1.10 3.45 0.10 4.99 -4.36 0.92 -4.94 121.20 120.26 1uil s ILE 73 Ca -0.12 -1.31 0.08 0.00 -0.26 0.00 0.00 60.65 59.04 1uil s ILE 73 Cb -0.07 -2.64 -0.03 0.00 1.25 0.00 0.00 42.46 40.96 1uil s ILE 73 CO -0.00 0.06 -0.19 0.12 0.24 0.00 0.00 174.94 175.16 1uil s PHE 74 N -1.34 1.68 0.04 1.37 2.19 -1.26 -1.03 117.98 119.62 1uil s PHE 74 Ca 0.23 -0.44 0.02 0.00 0.33 0.00 0.00 56.93 57.08 1uil s PHE 74 Cb -0.11 -0.91 -0.02 0.00 -1.31 0.00 0.00 43.02 40.67 1uil s PHE 74 CO 0.15 0.19 -0.08 0.00 1.83 0.00 0.00 175.22 177.31 1uil s ALA 75 N -1.30 0.61 -0.50 11.12 0.00 0.89 -4.88 121.76 127.70 1uil s ALA 75 Ca 0.06 -0.69 0.07 0.00 0.00 0.00 0.00 51.96 51.39 1uil s ALA 75 Cb -0.09 0.00 0.19 0.00 0.00 0.00 0.00 23.12 23.22 1uil s ALA 75 CO 0.04 0.02 0.72 0.50 0.00 0.00 0.00 175.76 177.04 1uil s ARG 76 N -1.34 1.01 0.04 0.00 3.52 -1.26 -0.93 118.95 120.00 1uil s ARG 76 Ca -0.07 -0.90 -0.13 0.00 -0.13 0.00 0.00 55.73 54.50 1uil s ARG 76 Cb -0.09 -0.02 -0.06 0.00 -1.56 0.00 0.00 34.95 33.22 1uil s ARG 76 CO 0.00 -1.28 0.42 -1.21 -0.81 0.00 0.00 175.30 172.43 1uil s GLU 77 N 1.05 3.87 -0.80 5.12 0.41 -0.72 -4.94 118.70 122.69 1uil s GLU 77 Ca 0.27 0.34 -0.00 0.00 -0.41 0.00 0.00 54.97 55.17 1uil s GLU 77 Cb -0.00 -3.11 0.36 0.00 -1.78 0.00 0.00 34.13 29.59 1uil s GLU 77 CO -0.06 0.62 1.79 0.72 -0.49 0.00 0.00 175.26 177.84 1uil n HIS 78 N 1.39 3.07 -0.45 1.61 8.25 -1.26 -1.50 115.22 126.33 1uil n HIS 78 Ca -0.11 -2.58 -0.26 0.00 -0.26 0.00 0.00 57.72 54.51 1uil n HIS 78 Cb 0.52 -0.97 0.21 0.00 1.12 0.00 0.00 29.99 30.87 1uil n HIS 78 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1uil n GLY 79 N -0.43 -2.90 0.04 -1.41 0.00 -1.26 -4.93 105.19 94.31 1uil n GLY 79 Ca 0.49 -1.14 -0.00 0.00 0.00 0.00 0.00 46.02 45.37 1uil n GLY 79 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1uil h SER 80 N -2.90 0.00 -2.12 1.61 0.02 -1.92 -3.38 113.55 104.87 1uil h SER 80 Ca -0.39 0.00 -0.52 0.00 -0.84 0.00 0.00 61.79 60.04 1uil h SER 80 Cb 1.12 0.00 -0.06 0.00 0.14 0.00 0.00 62.40 63.60 1uil h SER 80 CO 0.26 0.35 -0.55 0.54 -1.14 0.00 0.00 176.83 176.30 1uil s ASN 81 N -4.76 5.14 0.16 3.07 2.20 -1.26 -4.08 114.94 115.41 1uil s ASN 81 Ca -0.01 -0.45 -0.29 0.00 -0.94 0.00 0.00 52.86 51.17 1uil s ASN 81 Cb 0.00 -1.12 -0.04 0.00 -2.00 0.00 0.00 41.25 38.09 1uil s ASN 81 CO 0.01 -0.10 1.55 0.11 -2.94 0.00 0.00 177.10 175.73 1uil h LYS 82 N 1.57 -0.15 0.00 3.55 1.57 -1.92 0.18 116.57 121.37 1uil h LYS 82 Ca -0.46 0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.33 1uil h LYS 82 Cb 1.25 0.03 0.00 0.00 0.08 0.00 0.00 32.23 33.59 1uil h LYS 82 CO 0.61 -0.10 0.00 1.63 -0.57 0.00 0.00 179.45 181.02 1uil n LYS 83 N -5.33 0.00 -0.17 3.15 4.01 -1.26 0.39 118.16 118.95 1uil n LYS 83 Ca 0.01 0.81 -0.05 0.00 -0.51 0.00 0.00 58.31 58.58 1uil n LYS 83 Cb 0.31 -1.35 -0.04 0.00 -0.51 0.00 0.00 35.03 33.43 1uil n LYS 83 CO 0.00 0.00 0.00 -0.07 -1.11 0.00 0.00 177.40 176.22 1uil h LEU 84 N 0.00 -0.90 -0.84 -0.35 3.38 -1.76 0.53 115.31 115.36 1uil h LEU 84 Ca 0.00 0.14 0.14 0.00 0.09 0.00 0.00 57.88 58.25 1uil h LEU 84 Cb 0.00 0.40 -0.14 0.00 0.09 0.00 0.00 40.66 41.01 1uil h LEU 84 CO 0.00 -0.10 -0.30 0.00 0.09 0.00 0.00 178.44 178.13 1uil n ALA 85 N -3.10 -0.02 0.03 1.53 0.00 0.55 0.43 120.51 119.93 1uil n ALA 85 Ca 0.01 0.86 -0.02 0.00 0.00 0.00 0.00 53.44 54.29 1uil n ALA 85 Cb 0.11 -0.42 -0.01 0.00 0.00 0.00 0.00 19.45 19.13 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 1.30 -0.88 -1.07 0.00 0.00 0.46 0.54 119.26 119.62 1uil h ALA 86 Ca 0.32 -0.02 0.40 0.00 0.00 0.00 0.00 54.91 55.61 1uil h ALA 86 Cb 0.53 0.20 -0.14 0.00 0.00 0.00 0.00 17.79 18.38 1uil h ALA 86 CO -0.85 -0.88 0.64 1.04 0.00 0.00 0.00 179.25 179.21 1uil n GLN 87 N -2.46 -0.04 0.03 0.00 6.02 0.82 0.15 117.38 121.89 1uil n GLN 87 Ca -0.01 1.18 -0.12 0.00 -0.01 0.00 0.00 57.00 58.04 1uil n GLN 87 Cb 0.04 -2.22 -0.09 0.00 1.02 0.00 0.00 30.24 28.99 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 -0.48 1.08 0.02 0.63 -2.64 113.55 112.05 1uil h SER 88 Ca 0.78 -0.44 0.06 0.00 -0.84 0.00 0.00 61.79 61.35 1uil h SER 88 Cb 2.28 0.03 -0.09 0.00 0.14 0.00 0.00 62.40 64.76 1uil h SER 88 CO -0.56 0.43 -0.52 0.00 -1.14 0.00 0.00 176.83 175.04 1uil n ALA 90 N -3.11 -0.14 -0.54 0.00 0.00 -0.13 0.26 120.51 116.85 1uil n ALA 90 Ca -0.02 0.00 0.44 0.00 0.00 0.00 0.00 53.44 53.87 1uil n ALA 90 Cb 0.34 0.32 0.72 0.00 0.00 0.00 0.00 19.45 20.84 1uil n ALA 90 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 1uil h LEU 91 N 0.00 0.14 0.57 0.00 5.85 -1.02 1.22 115.31 122.08 1uil h LEU 91 Ca 0.00 0.11 -0.03 0.00 0.84 0.00 0.00 57.88 58.80 1uil h LEU 91 Cb 0.00 0.12 0.01 0.00 0.37 0.00 0.00 40.66 41.15 1uil h LEU 91 CO 0.00 -0.19 -0.28 -1.28 -0.34 0.00 0.00 178.44 176.35 1uil h SER 92 N 0.00 -0.65 -0.13 1.25 0.87 0.43 0.36 113.55 115.69 1uil h SER 92 Ca 0.90 0.02 -0.03 0.00 -1.23 0.00 0.00 61.79 61.45 1uil h SER 92 Cb 3.13 0.17 -0.00 0.00 -0.44 0.00 0.00 62.40 65.25 1uil h SER 92 CO -0.34 -0.46 -0.04 -0.07 -0.53 0.00 0.00 176.83 175.39 1uil h LEU 93 N -0.79 0.26 -0.01 2.23 -0.00 0.27 -2.58 115.31 114.69 1uil h LEU 93 Ca -0.08 -0.39 0.01 0.00 -0.00 0.00 0.00 57.88 57.42 1uil h LEU 93 Cb 0.60 -0.07 -0.03 0.00 -0.00 0.00 0.00 40.66 41.16 1uil h LEU 93 CO 0.13 0.59 -0.25 0.58 -0.00 0.00 0.00 178.44 179.49 1uil h VAL 94 N -0.07 0.00 -0.87 1.22 2.07 0.27 0.65 116.25 119.52 1uil h VAL 94 Ca 0.03 0.00 0.12 0.00 0.82 0.00 0.00 66.70 67.67 1uil h VAL 94 Cb 0.49 0.00 -0.14 0.00 -1.52 0.00 0.00 31.29 30.12 1uil h VAL 94 CO 0.02 0.00 -0.45 0.03 0.02 0.00 0.00 177.57 177.19 1uil h ARG 95 N -0.30 -0.06 -0.57 1.57 2.47 -0.32 0.62 114.38 117.78 1uil h ARG 95 Ca 0.01 0.00 0.09 0.00 -1.26 0.00 0.00 59.98 58.82 1uil h ARG 95 Cb 0.33 0.01 -0.07 0.00 -1.65 0.00 0.00 29.97 28.59 1uil h ARG 95 CO -0.17 -0.04 0.21 1.96 0.56 0.00 0.00 179.97 182.48 1uil h GLN 96 N -0.07 0.37 0.15 0.04 7.50 -0.97 0.20 115.11 122.33 1uil h GLN 96 Ca 0.26 -0.02 0.02 0.00 0.50 0.00 0.00 58.65 59.40 1uil h GLN 96 Cb 0.54 -0.08 -0.03 0.00 0.05 0.00 0.00 27.48 27.95 1uil h GLN 96 CO -0.89 0.25 -0.30 -0.07 -1.50 0.00 0.00 178.83 176.32 1uil h LEU 97 N 0.38 -0.85 -0.19 1.46 3.38 0.55 0.27 115.31 120.31 1uil h LEU 97 Ca 0.28 0.09 0.05 0.00 0.09 0.00 0.00 57.88 58.40 1uil h LEU 97 Cb 0.34 0.32 -0.05 0.00 0.09 0.00 0.00 40.66 41.36 1uil h LEU 97 CO -0.29 -0.40 -0.12 0.22 0.09 0.00 0.00 178.44 177.95 1uil h TYR 98 N -0.54 -0.29 0.33 1.13 5.03 0.29 0.50 116.97 123.42 1uil h TYR 98 Ca 0.02 0.02 -0.00 0.00 2.58 0.00 0.00 58.73 61.35 1uil h TYR 98 Cb 0.55 0.16 -0.03 0.00 1.55 0.00 0.00 36.73 38.96 1uil h TYR 98 CO -0.26 -0.18 -0.52 1.12 -1.32 0.00 0.00 178.16 177.00 1uil h HIS 99 N -0.11 -1.47 -0.72 -3.82 2.07 -0.23 -1.69 115.15 109.18 1uil h HIS 99 Ca 0.11 0.02 0.14 0.00 -2.85 0.00 0.00 60.37 57.79 1uil h HIS 99 Cb 0.27 0.60 -0.10 0.00 2.57 0.00 0.00 27.41 30.76 1uil h HIS 99 CO -0.27 -0.64 0.24 -0.07 -3.07 0.00 0.00 177.93 174.12 1uil h LEU 100 N -0.90 0.17 0.00 6.12 3.38 -0.18 -3.46 115.31 120.44 1uil h LEU 100 Ca -0.04 0.12 0.00 0.00 0.09 0.00 0.00 57.88 58.05 1uil h LEU 100 Cb 0.83 0.12 0.00 0.00 0.09 0.00 0.00 40.66 41.70 1uil h LEU 100 CO -0.17 0.05 0.00 0.61 0.09 0.00 0.00 178.44 179.03 1uil n GLY 101 N -1.33 0.89 0.11 0.83 0.00 0.14 -5.06 105.19 100.76 1uil n GLY 101 Ca 0.13 -0.06 -0.08 0.00 0.00 0.00 0.00 46.02 46.01 1uil n GLY 101 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1uil n VAL 102 N 0.00 0.65 -4.08 1.61 0.31 0.10 -4.99 118.33 111.94 1uil n VAL 102 Ca 0.00 -0.24 -0.23 0.00 -0.01 0.00 0.00 64.34 63.86 1uil n VAL 102 Cb 0.00 -0.97 -0.06 0.00 -0.91 0.00 0.00 33.84 31.90 1uil n VAL 102 CO 0.00 0.00 0.00 0.27 -1.32 0.00 0.00 176.83 175.78 1uil s ILE 103 N -2.23 3.21 0.33 2.52 -4.36 -1.24 -4.95 121.20 114.48 1uil s ILE 103 Ca -0.15 -1.66 0.08 0.00 -0.26 0.00 0.00 60.65 58.65 1uil s ILE 103 Cb 0.04 -3.01 -0.03 0.00 1.25 0.00 0.00 42.46 40.71 1uil s ILE 103 CO 0.26 -0.21 0.25 -1.83 0.24 0.00 0.00 174.94 173.65 1uil s GLU 104 N -3.85 2.66 0.28 0.37 -1.05 -1.26 -4.49 118.70 111.36 1uil s GLU 104 Ca 0.37 -1.34 -0.30 0.00 -0.15 0.00 0.00 54.97 53.56 1uil s GLU 104 Cb -0.04 -2.41 -0.10 0.00 -0.44 0.00 0.00 34.13 31.14 1uil s GLU 104 CO 0.23 0.12 1.41 0.00 0.95 0.00 0.00 175.26 177.97 1uil s ALA 105 N -2.32 3.59 1.00 -0.84 0.00 -1.26 -4.99 121.76 116.95 1uil s ALA 105 Ca 0.40 1.33 0.00 0.00 0.00 0.00 0.00 51.96 53.69 1uil s ALA 105 Cb -0.05 -3.54 0.00 0.00 0.00 0.00 0.00 23.12 19.52 1uil s ALA 105 CO 0.26 -0.74 0.00 0.98 0.00 0.00 0.00 175.76 176.25 1uil n TYR 106 N 1.85 -1.44 0.00 0.00 9.36 -1.26 -4.86 117.16 120.81 1uil n TYR 106 Ca 0.05 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.27 1uil n TYR 106 Cb 0.40 0.00 0.00 0.00 -0.63 0.00 0.00 39.34 39.11 1uil n TYR 106 CO 0.00 0.00 0.00 0.43 0.22 0.00 0.00 176.86 177.51 1uil n SER 107 N -1.31 0.00 0.00 2.98 7.64 -1.26 -4.67 113.62 117.00 1uil n SER 107 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 1uil n SER 107 Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 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 0.00 0.00 0.00 6.43 2.88 -1.26 -4.82 113.62 116.85 1uil n SER 108 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 1uil n SER 108 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 1uil n SER 108 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1uil n GLY 109 N 0.00 -2.09 3.61 0.46 0.00 -1.26 -4.93 105.19 100.98 1uil n GLY 109 Ca 0.00 -2.16 -0.43 0.00 0.00 0.00 0.00 46.02 43.43 1uil n GLY 109 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1uil s PRO 110 N -0.58 3.72 -0.26 1.61 0.04 -1.26 -4.95 135.00 133.32 1uil s PRO 110 Ca 0.00 1.09 -0.26 0.00 0.04 0.00 0.00 61.00 61.87 1uil s PRO 110 Cb 0.00 -3.97 0.14 0.00 0.04 0.00 0.00 34.50 30.71 1uil s PRO 110 CO 0.00 -1.38 1.10 -1.54 0.04 0.00 0.00 177.00 175.21 1uil s SER 111 N 3.51 -0.36 -0.37 6.66 1.04 -1.26 -5.06 113.70 117.87 1uil s SER 111 Ca 0.60 0.64 -0.10 0.00 0.48 0.00 0.00 55.95 57.57 1uil s SER 111 Cb -0.15 0.62 0.01 0.00 0.10 0.00 0.00 66.02 66.60 1uil s SER 111 CO 0.29 -0.17 0.34 -1.20 0.98 0.00 0.00 173.24 173.48 1uil n SER 112 N 1.77 -7.87 0.00 7.02 7.64 -1.26 -5.21 113.62 115.72 1uil n SER 112 Ca -0.11 0.88 0.00 0.00 1.01 0.00 0.00 58.87 60.65 1uil n SER 112 Cb 0.56 -5.12 0.00 0.00 -1.01 0.00 0.00 64.21 58.65 1uil n SER 112 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64