#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 -5.29 -4.05 1.61 3.41 -1.26 -4.98 113.62 103.07 1uil n SER 2 Ca 0.00 1.05 -0.31 0.00 -0.26 0.00 0.00 58.87 59.35 1uil n SER 2 Cb 0.00 -3.24 -0.16 0.00 -0.26 0.00 0.00 64.21 60.55 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 -0.63 3.33 0.00 4.04 1.04 -1.26 -5.06 113.70 115.17 1uil s SER 3 Ca -0.09 -0.82 0.00 0.00 0.48 0.00 0.00 55.95 55.52 1uil s SER 3 Cb 0.01 -1.34 0.00 0.00 0.10 0.00 0.00 66.02 64.79 1uil s SER 3 CO 0.36 -0.09 0.00 0.61 0.98 0.00 0.00 173.24 175.09 1uil n GLY 4 N 4.65 4.22 3.09 7.32 0.00 -1.26 -5.17 105.19 118.04 1uil n GLY 4 Ca -0.17 -0.47 -0.14 0.00 0.00 0.00 0.00 46.02 45.25 1uil n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1uil s SER 5 N 0.00 1.03 -0.20 1.61 1.04 -1.26 -5.15 113.70 110.77 1uil s SER 5 Ca 0.00 -0.62 -0.17 0.00 0.48 0.00 0.00 55.95 55.64 1uil s SER 5 Cb 0.00 0.03 0.05 0.00 0.10 0.00 0.00 66.02 66.20 1uil s SER 5 CO 0.00 -0.22 0.53 -0.94 0.98 0.00 0.00 173.24 173.59 1uil s SER 6 N -1.80 -0.58 0.00 7.02 1.04 -1.26 -5.06 113.70 113.06 1uil s SER 6 Ca -0.06 1.08 0.00 0.00 0.48 0.00 0.00 55.95 57.46 1uil s SER 6 Cb -0.08 1.07 0.00 0.00 0.10 0.00 0.00 66.02 67.11 1uil s SER 6 CO 0.00 -0.19 0.00 0.61 0.98 0.00 0.00 173.24 174.64 1uil n GLY 7 N 3.11 0.04 2.81 7.32 0.00 -1.26 -5.08 105.19 112.13 1uil n GLY 7 Ca -0.15 -0.22 -0.28 0.00 0.00 0.00 0.00 46.02 45.37 1uil n GLY 7 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1uil n LEU 8 N 0.00 4.48 -4.39 0.99 4.77 -1.26 -4.88 117.00 116.71 1uil n LEU 8 Ca 0.00 -5.62 -0.35 0.00 -0.03 0.00 0.00 56.01 50.01 1uil n LEU 8 Cb 0.00 -0.62 -0.09 0.00 -2.33 0.00 0.00 43.42 40.38 1uil n LEU 8 CO 0.00 2.27 -0.38 -1.84 -1.33 0.00 0.00 177.39 176.11 1uil n GLU 9 N 0.02 -0.87 -1.53 3.23 0.28 -1.26 -4.62 120.64 115.89 1uil n GLU 9 Ca 0.31 0.10 -0.14 0.00 -0.16 0.00 0.00 57.16 57.28 1uil n GLU 9 Cb 0.39 -3.92 -0.10 0.00 1.43 0.00 0.00 31.44 29.24 1uil n GLU 9 CO 0.00 0.00 0.00 -1.13 -0.16 0.00 0.00 177.13 175.84 1uil n SER 10 N -2.76 1.01 -4.55 -1.84 3.41 -1.26 -4.82 113.62 102.81 1uil n SER 10 Ca -0.20 -1.51 -0.39 0.00 -0.26 0.00 0.00 58.87 56.51 1uil n SER 10 Cb 0.63 -1.44 -0.03 0.00 -0.26 0.00 0.00 64.21 63.10 1uil n SER 10 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 1uil s GLU 11 N 8.37 2.75 -0.34 4.33 2.02 -1.26 -4.84 118.70 129.73 1uil s GLU 11 Ca 0.93 0.41 -0.02 0.00 0.02 0.00 0.00 54.97 56.31 1uil s GLU 11 Cb -0.23 -4.35 0.16 0.00 0.10 0.00 0.00 34.13 29.81 1uil s GLU 11 CO 0.18 -2.61 2.26 0.39 0.02 0.00 0.00 175.26 175.49 1uil n GLU 12 N 9.23 1.96 -4.07 1.61 1.02 -1.26 -4.80 120.64 124.32 1uil n GLU 12 Ca 0.17 -1.74 -0.12 0.00 -0.02 0.00 0.00 57.16 55.45 1uil n GLU 12 Cb 0.51 -1.76 -0.11 0.00 -0.02 0.00 0.00 31.44 30.07 1uil n GLU 12 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 1uil s VAL 13 N -2.19 0.49 -0.44 2.62 1.01 -1.26 -4.92 120.40 115.70 1uil s VAL 13 Ca 0.39 -1.28 -0.20 0.00 0.00 0.00 0.00 61.98 60.89 1uil s VAL 13 Cb 0.28 -0.84 0.03 0.00 0.00 0.00 0.00 36.38 35.85 1uil s VAL 13 CO -0.06 -0.54 0.60 -1.81 0.00 0.00 0.00 175.10 173.29 1uil s ASP 14 N -1.95 6.28 0.00 3.32 1.11 -1.26 -4.93 116.67 119.23 1uil s ASP 14 Ca -0.05 -0.49 0.00 0.00 0.18 0.00 0.00 52.55 52.19 1uil s ASP 14 Cb -0.06 -2.29 0.00 0.00 1.07 0.00 0.00 42.92 41.64 1uil s ASP 14 CO -0.02 -0.75 0.00 -0.11 1.18 0.00 0.00 175.17 175.47 1uil n LEU 15 N 6.11 0.01 -0.01 1.23 0.00 -1.26 -4.07 117.00 119.01 1uil n LEU 15 Ca -0.03 0.33 -0.20 0.00 0.00 0.00 0.00 56.01 56.10 1uil n LEU 15 Cb 0.47 -0.50 -0.14 0.00 0.00 0.00 0.00 43.42 43.26 1uil n LEU 15 CO 0.52 -0.50 -0.22 0.78 0.00 0.00 0.00 177.39 177.97 1uil h ASN 16 N 0.00 0.31 -0.76 1.96 4.21 -2.02 -3.29 115.58 115.99 1uil h ASN 16 Ca 0.00 -0.85 0.22 0.00 1.21 0.00 0.00 56.30 56.88 1uil h ASN 16 Cb 0.00 -0.10 -0.03 0.00 -1.12 0.00 0.00 38.32 37.07 1uil h ASN 16 CO 0.00 1.47 0.78 0.00 -1.29 0.00 0.00 177.43 178.39 1uil h ALA 17 N -0.06 2.58 0.05 -0.83 0.00 -1.96 0.39 119.26 119.43 1uil h ALA 17 Ca -0.23 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 54.65 1uil h ALA 17 Cb 1.58 0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.43 1uil h ALA 17 CO 0.04 -1.17 -0.03 0.78 0.00 0.00 0.00 179.25 178.88 1uil h GLY 18 N 0.00 -0.08 -0.12 0.00 0.00 -1.70 -0.74 103.07 100.44 1uil h GLY 18 Ca 0.36 0.03 0.02 0.00 0.00 0.00 0.00 47.33 47.74 1uil h GLY 18 CO -0.00 -0.03 -0.34 1.41 0.00 0.00 0.00 176.54 177.58 1uil h LEU 19 N -0.31 -1.09 0.00 3.11 3.38 -0.36 -2.70 115.31 117.33 1uil h LEU 19 Ca -0.01 0.13 0.01 0.00 0.09 0.00 0.00 57.88 58.11 1uil h LEU 19 Cb 0.28 0.43 -0.03 0.00 0.09 0.00 0.00 40.66 41.42 1uil h LEU 19 CO 0.01 -0.29 -0.33 0.45 0.09 0.00 0.00 178.44 178.37 1uil h HIS 20 N -0.34 -0.96 -0.03 1.13 3.86 -1.57 -3.49 115.15 113.74 1uil h HIS 20 Ca 0.02 0.03 0.00 0.00 -1.16 0.00 0.00 60.37 59.27 1uil h HIS 20 Cb 0.41 0.42 0.00 0.00 1.06 0.00 0.00 27.41 29.30 1uil h HIS 20 CO -0.56 -0.35 0.00 0.41 0.86 0.00 0.00 177.93 178.29 1uil n GLY 21 N -1.28 0.93 2.71 2.45 0.00 -0.29 -4.89 105.19 104.82 1uil n GLY 21 Ca -0.05 -1.08 -0.42 0.00 0.00 0.00 0.00 46.02 44.48 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 4.58 -4.07 1.61 4.13 -1.26 -4.84 115.26 115.42 1uil n ASN 22 Ca 0.00 -2.87 -0.33 0.00 1.68 0.00 0.00 54.58 53.05 1uil n ASN 22 Cb 0.00 -1.61 -0.14 0.00 -1.54 0.00 0.00 39.78 36.49 1uil n ASN 22 CO 0.00 0.00 0.00 0.26 0.28 0.00 0.00 177.26 177.80 1uil s TRP 23 N 2.50 3.62 -0.01 3.10 0.23 -1.26 -4.19 118.94 122.94 1uil s TRP 23 Ca 0.48 -2.66 -0.05 0.00 -2.03 0.00 0.00 56.10 51.84 1uil s TRP 23 Cb 0.14 -2.87 -0.04 0.00 0.03 0.00 0.00 33.47 30.73 1uil s TRP 23 CO -0.07 -0.94 0.21 0.95 0.96 0.00 0.00 176.95 178.07 1uil s THR 24 N 1.03 5.39 0.22 2.01 -4.23 -1.26 -4.83 115.64 113.96 1uil s THR 24 Ca 0.07 0.01 0.08 0.00 -1.18 0.00 0.00 61.69 60.68 1uil s THR 24 Cb -0.20 -3.54 0.24 0.00 1.34 0.00 0.00 72.50 70.34 1uil s THR 24 CO -0.06 0.37 0.98 0.18 -0.54 0.00 0.00 174.62 175.55 1uil n LEU 25 N 1.11 0.10 0.19 4.79 4.77 -1.26 0.86 117.00 127.57 1uil n LEU 25 Ca -0.12 1.04 -0.07 0.00 -0.03 0.00 0.00 56.01 56.83 1uil n LEU 25 Cb 0.53 -0.46 -0.03 0.00 -2.33 0.00 0.00 43.42 41.13 1uil n LEU 25 CO 0.41 -1.13 0.48 -0.33 -1.33 0.00 0.00 177.39 175.50 1uil h GLU 26 N 0.00 -0.46 -0.22 3.23 4.39 -1.92 -1.40 114.58 118.20 1uil h GLU 26 Ca 0.47 0.03 0.03 0.00 0.34 0.00 0.00 59.36 60.23 1uil h GLU 26 Cb 1.16 0.10 -0.06 0.00 -0.10 0.00 0.00 28.75 29.85 1uil h GLU 26 CO -0.52 -0.30 -0.46 -0.91 -1.16 0.00 0.00 179.01 175.65 1uil h ASN 27 N -0.50 -1.50 -0.26 1.42 4.21 0.09 -1.42 115.58 117.63 1uil h ASN 27 Ca -0.05 0.19 0.02 0.00 1.21 0.00 0.00 56.30 57.67 1uil h ASN 27 Cb 0.36 0.60 -0.03 0.00 -1.12 0.00 0.00 38.32 38.13 1uil h ASN 27 CO 0.08 -0.37 -0.15 0.00 -1.29 0.00 0.00 177.43 175.70 1uil n ALA 28 N -2.97 -0.17 -0.43 -0.83 0.00 0.54 0.84 120.51 117.49 1uil n ALA 28 Ca -0.04 0.22 0.00 0.00 0.00 0.00 0.00 53.44 53.62 1uil n ALA 28 Cb 0.30 0.27 0.00 0.00 0.00 0.00 0.00 19.45 20.02 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 -3.53 0.00 -0.21 0.00 4.81 -0.53 0.43 118.16 119.13 1uil n LYS 29 Ca 0.01 0.79 -0.05 0.00 -0.87 0.00 0.00 58.31 58.18 1uil n LYS 29 Cb 0.07 -1.28 -0.05 0.00 0.02 0.00 0.00 35.03 33.78 1uil n LYS 29 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1uil n ALA 30 N -2.15 -0.31 -0.37 3.14 0.00 -0.59 -0.23 120.51 120.00 1uil n ALA 30 Ca 0.00 0.42 -0.07 0.00 0.00 0.00 0.00 53.44 53.78 1uil n ALA 30 Cb 0.00 0.16 -0.05 0.00 0.00 0.00 0.00 19.45 19.56 1uil n ALA 30 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 1uil n ARG 31 N -4.10 -0.34 -0.39 0.00 0.00 0.25 0.45 116.66 112.52 1uil n ARG 31 Ca 0.01 1.38 -0.05 0.00 -0.00 0.00 0.00 57.85 59.19 1uil n ARG 31 Cb 0.13 -2.03 -0.02 0.00 0.00 0.00 0.00 32.46 30.54 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 -5.20 -0.81 -0.29 6.15 7.94 0.17 0.19 117.00 125.15 1uil n LEU 32 Ca 0.04 1.73 0.01 0.00 -1.11 0.00 0.00 56.01 56.68 1uil n LEU 32 Cb 0.28 -0.32 0.14 0.00 0.53 0.00 0.00 43.42 44.04 1uil n LEU 32 CO -0.14 -1.50 1.16 -1.13 -1.11 0.00 0.00 177.39 174.68 1uil h ASN 33 N 0.00 0.76 -0.25 1.96 -0.73 0.59 -1.51 115.58 116.40 1uil h ASN 33 Ca 0.26 0.03 0.02 0.00 1.87 0.00 0.00 56.30 58.48 1uil h ASN 33 Cb 0.51 -0.13 -0.02 0.00 0.27 0.00 0.00 38.32 38.95 1uil h ASN 33 CO -0.96 0.47 0.12 1.56 -0.37 0.00 0.00 177.43 178.25 1uil h GLN 34 N 0.89 0.24 -0.59 6.67 1.08 0.45 0.25 115.11 124.10 1uil h GLN 34 Ca 0.37 -0.01 0.10 0.00 -1.45 0.00 0.00 58.65 57.65 1uil h GLN 34 Cb 0.22 -0.06 -0.04 0.00 -0.05 0.00 0.00 27.48 27.56 1uil h GLN 34 CO -0.19 0.16 0.40 -0.92 -0.95 0.00 0.00 178.83 177.33 1uil h TYR 35 N 0.25 0.42 0.00 2.96 3.20 0.16 0.63 116.97 124.59 1uil h TYR 35 Ca 0.10 0.01 -0.00 0.00 3.14 0.00 0.00 58.73 61.98 1uil h TYR 35 Cb 0.04 -0.14 -0.00 0.00 1.54 0.00 0.00 36.73 38.17 1uil h TYR 35 CO -0.10 0.20 -0.38 0.74 -1.64 0.00 0.00 178.16 176.99 1uil h PHE 36 N 0.40 0.00 0.18 -3.82 0.04 -0.41 -2.31 116.94 111.02 1uil h PHE 36 Ca 0.27 0.00 -0.32 0.00 2.80 0.00 0.00 57.97 60.72 1uil h PHE 36 Cb 0.54 0.00 0.01 0.00 2.20 0.00 0.00 35.95 38.70 1uil h PHE 36 CO -0.00 0.01 -1.60 1.96 -0.60 0.00 0.00 178.31 178.08 1uil h GLN 37 N 0.00 0.37 0.16 1.51 4.20 0.24 0.26 115.11 121.84 1uil h GLN 37 Ca -0.00 -0.64 -0.01 0.00 0.06 0.00 0.00 58.65 58.07 1uil h GLN 37 Cb 1.00 0.24 0.00 0.00 0.30 0.00 0.00 27.48 29.02 1uil h GLN 37 CO 0.00 1.30 -0.07 0.87 -0.67 0.00 0.00 178.83 180.26 1uil h LYS 38 N -0.01 -0.20 0.00 1.46 1.79 0.00 -3.07 116.57 116.54 1uil h LYS 38 Ca -0.32 0.01 0.00 0.00 -2.18 0.00 0.00 60.65 58.17 1uil h LYS 38 Cb 2.00 0.05 0.00 0.00 -1.58 0.00 0.00 32.23 32.70 1uil h LYS 38 CO 0.16 0.24 0.00 0.39 -1.08 0.00 0.00 179.45 179.15 1uil n GLU 39 N -4.94 0.20 -1.34 3.15 -0.58 -0.87 -4.85 120.64 111.41 1uil n GLU 39 Ca -0.08 0.38 -0.10 0.00 -0.42 0.00 0.00 57.16 56.94 1uil n GLU 39 Cb 0.27 -1.85 -0.04 0.00 -0.57 0.00 0.00 31.44 29.25 1uil n GLU 39 CO 0.00 0.00 0.00 1.63 -0.48 0.00 0.00 177.13 178.28 1uil n LYS 40 N -2.21 -0.71 -1.81 3.49 4.76 -0.60 -4.99 118.16 116.09 1uil n LYS 40 Ca 0.03 0.84 -0.30 0.00 -2.87 0.00 0.00 58.31 56.01 1uil n LYS 40 Cb 0.26 -4.78 0.05 0.00 -1.84 0.00 0.00 35.03 28.72 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 -2.38 3.53 -0.09 -0.18 1.01 0.80 -4.94 121.20 118.94 1uil s ILE 41 Ca 0.00 0.50 0.03 0.00 0.00 0.00 0.00 60.65 61.17 1uil s ILE 41 Cb 0.00 -3.44 0.01 0.00 0.01 0.00 0.00 42.46 39.04 1uil s ILE 41 CO 0.00 -0.65 -0.16 -1.10 0.00 0.00 0.00 174.94 173.03 1uil s GLN 42 N -5.30 2.21 -0.29 2.79 -0.21 -1.26 -4.50 119.66 113.10 1uil s GLN 42 Ca 0.58 -0.58 -0.15 0.00 0.02 0.00 0.00 55.36 55.24 1uil s GLN 42 Cb -0.12 -1.78 0.09 0.00 1.00 0.00 0.00 33.01 32.20 1uil s GLN 42 CO 0.52 0.04 0.69 0.20 -2.12 0.00 0.00 175.29 174.63 1uil s GLY 43 N 0.68 -0.63 0.35 3.09 0.00 -1.26 -5.10 107.32 104.44 1uil s GLY 43 Ca -0.13 2.44 0.01 0.00 0.00 0.00 0.00 44.72 47.05 1uil s GLY 43 CO 0.04 2.58 0.12 -1.84 0.00 0.00 0.00 173.10 173.99 1uil n GLU 44 N 4.56 1.08 -4.81 2.90 0.28 -1.26 -5.06 120.64 118.33 1uil n GLU 44 Ca -0.18 -2.39 -0.33 0.00 -0.16 0.00 0.00 57.16 54.11 1uil n GLU 44 Cb 0.57 0.48 -0.14 0.00 1.43 0.00 0.00 31.44 33.78 1uil n GLU 44 CO 0.00 0.00 0.00 0.71 -0.16 0.00 0.00 177.13 177.68 1uil s TYR 45 N -2.04 2.78 -0.47 -1.84 1.51 -1.26 -4.69 117.35 111.33 1uil s TYR 45 Ca 0.09 -0.39 -0.16 0.00 -1.01 0.00 0.00 57.07 55.61 1uil s TYR 45 Cb -0.01 -1.75 0.07 0.00 -0.11 0.00 0.00 41.96 40.17 1uil s TYR 45 CO 0.06 -0.01 0.40 0.21 -1.11 0.00 0.00 175.55 175.11 1uil s LYS 46 N -0.18 2.99 -0.25 -0.62 2.47 0.60 -4.91 119.74 119.84 1uil s LYS 46 Ca 0.00 -1.32 -0.20 0.00 -1.56 0.00 0.00 55.97 52.90 1uil s LYS 46 Cb -0.13 -4.13 -0.02 0.00 -1.46 0.00 0.00 37.83 32.09 1uil s LYS 46 CO 0.03 -1.03 0.60 0.71 0.16 0.00 0.00 175.35 175.82 1uil s TYR 47 N 1.69 3.28 -0.34 4.03 2.02 -1.25 -0.12 117.35 126.66 1uil s TYR 47 Ca 0.05 0.78 -0.04 0.00 -0.37 0.00 0.00 57.07 57.48 1uil s TYR 47 Cb -0.24 -2.81 0.06 0.00 -0.40 0.00 0.00 41.96 38.58 1uil s TYR 47 CO 0.07 -0.31 0.09 0.99 -1.57 0.00 0.00 175.55 174.83 1uil s THR 48 N 2.42 3.40 0.07 -0.71 2.01 0.12 -4.80 115.64 118.16 1uil s THR 48 Ca 0.25 -1.42 -0.30 0.00 0.31 0.00 0.00 61.69 60.52 1uil s THR 48 Cb -0.16 -3.02 -0.06 0.00 0.01 0.00 0.00 72.50 69.27 1uil s THR 48 CO 0.09 -0.27 1.16 -1.58 -0.69 0.00 0.00 174.62 173.33 1uil s GLN 49 N 1.29 4.47 0.07 4.92 0.74 -1.26 0.16 119.66 130.06 1uil s GLN 49 Ca -0.01 1.73 0.01 0.00 0.05 0.00 0.00 55.36 57.14 1uil s GLN 49 Cb -0.20 -3.35 -0.00 0.00 1.10 0.00 0.00 33.01 30.56 1uil s GLN 49 CO -0.00 -0.18 0.04 1.33 -0.55 0.00 0.00 175.29 175.93 1uil n VAL 50 N 3.66 0.00 -1.26 1.34 0.24 0.02 -4.94 118.33 117.39 1uil n VAL 50 Ca 0.08 -0.44 0.16 0.00 -2.04 0.00 0.00 64.34 62.10 1uil n VAL 50 Cb 0.47 0.19 -0.05 0.00 -1.47 0.00 0.00 33.84 32.98 1uil n VAL 50 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1uil n GLY 51 N 0.70 -1.83 3.81 7.63 0.00 -1.26 -2.63 105.19 111.62 1uil n GLY 51 Ca 0.00 -0.94 -0.31 0.00 0.00 0.00 0.00 46.02 44.78 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 -2.50 2.58 0.08 1.61 0.04 -1.11 -4.68 135.00 131.03 1uil s PRO 52 Ca 0.00 0.82 -0.31 0.00 0.04 0.00 0.00 61.00 61.54 1uil s PRO 52 Cb 0.00 -1.96 -0.16 0.00 0.04 0.00 0.00 34.50 32.42 1uil s PRO 52 CO 0.00 -1.32 1.63 -0.44 0.04 0.00 0.00 177.00 176.91 1uil h ASP 53 N -0.87 -0.77 -1.49 6.66 3.32 -1.97 0.49 116.42 121.78 1uil h ASP 53 Ca -0.45 0.05 0.46 0.00 0.02 0.00 0.00 57.03 57.10 1uil h ASP 53 Cb 1.23 0.23 -0.10 0.00 0.22 0.00 0.00 39.33 40.92 1uil h ASP 53 CO 0.58 -0.48 1.02 1.12 -1.72 0.00 0.00 179.24 179.76 1uil h HIS 54 N -0.76 0.29 -1.65 4.55 2.07 -1.99 -3.10 115.15 114.56 1uil h HIS 54 Ca -0.06 0.01 -0.30 0.00 -2.85 0.00 0.00 60.37 57.17 1uil h HIS 54 Cb 0.63 -0.07 -0.27 0.00 2.57 0.00 0.00 27.41 30.26 1uil h HIS 54 CO -0.10 -0.10 -0.65 1.21 -3.07 0.00 0.00 177.93 175.22 1uil s ASN 55 N -4.43 0.21 0.45 3.10 2.47 -0.47 -5.14 114.94 111.12 1uil s ASN 55 Ca -0.06 -1.68 0.06 0.00 0.42 0.00 0.00 52.86 51.59 1uil s ASN 55 Cb 0.28 0.93 -0.03 0.00 -1.45 0.00 0.00 41.25 40.98 1uil s ASN 55 CO 0.84 -0.19 0.18 0.00 -3.72 0.00 0.00 177.10 174.21 1uil s ARG 56 N 1.20 2.20 -0.20 0.43 1.70 0.16 -2.73 118.95 121.71 1uil s ARG 56 Ca 0.21 -2.00 -0.16 0.00 -0.47 0.00 0.00 55.73 53.32 1uil s ARG 56 Cb -0.08 -1.90 0.06 0.00 -0.57 0.00 0.00 34.95 32.46 1uil s ARG 56 CO -0.06 -0.25 0.53 -1.54 -1.08 0.00 0.00 175.30 172.90 1uil s SER 57 N -3.96 -0.61 -0.46 -2.89 1.04 -1.08 -4.97 113.70 100.78 1uil s SER 57 Ca 0.33 1.10 -0.19 0.00 0.48 0.00 0.00 55.95 57.67 1uil s SER 57 Cb 0.03 1.06 0.03 0.00 0.10 0.00 0.00 66.02 67.24 1uil s SER 57 CO 0.19 -0.20 0.58 -0.36 0.98 0.00 0.00 173.24 174.43 1uil s PHE 58 N 0.77 3.09 -0.63 5.02 0.08 -1.25 -0.80 117.98 124.25 1uil s PHE 58 Ca -0.04 -0.30 -0.27 0.00 0.12 0.00 0.00 56.93 56.45 1uil s PHE 58 Cb -0.05 -3.28 -0.00 0.00 -0.57 0.00 0.00 43.02 39.11 1uil s PHE 58 CO -0.06 -0.88 1.63 0.42 -0.10 0.00 0.00 175.22 176.23 1uil s ILE 59 N 2.58 3.52 -0.51 0.64 1.01 0.43 -3.92 121.20 124.95 1uil s ILE 59 Ca 0.17 0.33 -0.25 0.00 0.00 0.00 0.00 60.65 60.90 1uil s ILE 59 Cb -0.16 -4.29 0.03 0.00 0.01 0.00 0.00 42.46 38.05 1uil s ILE 59 CO 0.15 -1.21 0.96 0.00 0.00 0.00 0.00 174.94 174.84 1uil s ALA 60 N 7.62 3.18 -0.05 9.38 0.00 -0.96 0.15 121.76 141.08 1uil s ALA 60 Ca 0.56 -0.98 0.05 0.00 0.00 0.00 0.00 51.96 51.59 1uil s ALA 60 Cb -0.11 -3.73 -0.02 0.00 0.00 0.00 0.00 23.12 19.26 1uil s ALA 60 CO 0.20 -2.26 -0.20 -1.83 0.00 0.00 0.00 175.76 171.67 1uil s GLU 61 N 3.97 2.45 -0.01 0.00 -1.05 0.83 -2.15 118.70 122.74 1uil s GLU 61 Ca 0.35 -0.81 -0.02 0.00 -0.15 0.00 0.00 54.97 54.34 1uil s GLU 61 Cb -0.11 -2.25 -0.00 0.00 -0.44 0.00 0.00 34.13 31.33 1uil s GLU 61 CO 0.23 0.53 0.04 1.41 0.95 0.00 0.00 175.26 178.42 1uil s MET 62 N -0.50 0.17 -0.02 -4.83 1.75 -0.33 -0.29 119.30 115.25 1uil s MET 62 Ca 0.06 -0.15 0.02 0.00 -1.25 0.00 0.00 55.69 54.37 1uil s MET 62 Cb -0.11 0.07 -0.00 0.00 2.84 0.00 0.00 34.83 37.62 1uil s MET 62 CO 0.01 -0.03 -0.08 0.99 -0.65 0.00 0.00 175.02 175.26 1uil s THR 63 N -0.50 0.65 0.03 10.11 2.01 -1.26 0.78 115.64 127.45 1uil s THR 63 Ca -0.06 -0.31 0.01 0.00 0.31 0.00 0.00 61.69 61.64 1uil s THR 63 Cb -0.04 -0.57 -0.02 0.00 0.01 0.00 0.00 72.50 71.88 1uil s THR 63 CO -0.00 0.20 -0.05 0.27 -0.69 0.00 0.00 174.62 174.35 1uil s ILE 64 N 0.05 0.31 -0.08 1.82 -4.36 0.07 -4.95 121.20 114.06 1uil s ILE 64 Ca -0.00 -0.93 0.02 0.00 -0.26 0.00 0.00 60.65 59.47 1uil s ILE 64 Cb -0.06 -0.41 -0.02 0.00 1.25 0.00 0.00 42.46 43.22 1uil s ILE 64 CO -0.00 -0.41 -0.13 -0.47 0.24 0.00 0.00 174.94 174.17 1uil s TYR 65 N -1.33 2.78 -0.25 1.37 6.14 -1.26 0.13 117.35 124.93 1uil s TYR 65 Ca -0.12 -0.30 -0.05 0.00 0.64 0.00 0.00 57.07 57.23 1uil s TYR 65 Cb -0.09 -1.72 -0.00 0.00 0.42 0.00 0.00 41.96 40.56 1uil s TYR 65 CO -0.00 0.06 0.01 0.42 0.64 0.00 0.00 175.55 176.68 1uil s ILE 66 N -0.34 3.68 0.08 3.14 -1.09 0.29 -4.95 121.20 122.01 1uil s ILE 66 Ca 0.03 -0.54 -0.11 0.00 -2.23 0.00 0.00 60.65 57.81 1uil s ILE 66 Cb -0.13 -2.77 -0.25 0.00 -1.58 0.00 0.00 42.46 37.74 1uil s ILE 66 CO 0.02 0.29 1.18 0.07 -1.23 0.00 0.00 174.94 175.27 1uil h LYS 67 N 8.16 0.55 0.00 2.79 2.10 -1.94 0.31 116.57 128.54 1uil h LYS 67 Ca -0.37 -0.67 0.00 0.00 -2.00 0.00 0.00 60.65 57.61 1uil h LYS 67 Cb 1.15 0.21 0.00 0.00 -0.90 0.00 0.00 32.23 32.69 1uil h LYS 67 CO 0.60 1.28 0.00 -0.56 -2.00 0.00 0.00 179.45 178.76 1uil h GLN 68 N 0.27 0.00 0.00 0.07 3.07 -1.93 -2.09 115.11 114.51 1uil h GLN 68 Ca -0.14 0.00 -0.26 0.00 0.09 0.00 0.00 58.65 58.34 1uil h GLN 68 Cb 1.78 0.00 -0.05 0.00 0.08 0.00 0.00 27.48 29.29 1uil h GLN 68 CO 0.21 0.00 -1.98 1.28 0.09 0.00 0.00 178.83 178.43 1uil n LEU 69 N -2.60 1.44 0.00 0.06 4.77 -1.15 -5.01 117.00 114.51 1uil n LEU 69 Ca -0.01 -0.05 0.00 0.00 -0.03 0.00 0.00 56.01 55.92 1uil n LEU 69 Cb 0.09 -0.12 0.00 0.00 -2.33 0.00 0.00 43.42 41.06 1uil n LEU 69 CO 0.16 0.56 0.00 0.61 -1.33 0.00 0.00 177.39 177.39 1uil n GLY 70 N 2.39 0.79 1.83 -0.72 0.00 0.10 -5.04 105.19 104.54 1uil n GLY 70 Ca -0.27 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.63 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 -2.33 0.42 -3.96 1.61 1.85 -0.74 -4.99 116.66 108.53 1uil n ARG 71 Ca 0.00 -1.89 -0.09 0.00 -1.00 0.00 0.00 57.85 54.86 1uil n ARG 71 Cb 0.00 1.35 -0.11 0.00 -1.05 0.00 0.00 32.46 32.65 1uil n ARG 71 CO 0.00 0.00 0.00 -0.98 -0.01 0.00 0.00 177.63 176.64 1uil s ARG 72 N -2.80 0.32 0.10 2.89 1.70 -1.26 0.10 118.95 120.00 1uil s ARG 72 Ca 0.18 -0.54 0.08 0.00 -0.47 0.00 0.00 55.73 54.98 1uil s ARG 72 Cb 0.01 0.12 -0.04 0.00 -0.57 0.00 0.00 34.95 34.47 1uil s ARG 72 CO 0.13 -0.06 -0.14 0.96 -1.08 0.00 0.00 175.30 175.11 1uil s ILE 73 N -1.37 3.09 0.11 4.99 -4.36 0.12 -4.95 121.20 118.82 1uil s ILE 73 Ca -0.15 -1.35 0.06 0.00 -0.26 0.00 0.00 60.65 58.96 1uil s ILE 73 Cb -0.09 -2.41 -0.04 0.00 1.25 0.00 0.00 42.46 41.17 1uil s ILE 73 CO -0.01 0.14 -0.16 0.12 0.24 0.00 0.00 174.94 175.28 1uil s PHE 74 N -1.15 1.48 0.04 1.37 2.19 -1.26 -0.75 117.98 119.90 1uil s PHE 74 Ca 0.19 -0.50 0.00 0.00 0.33 0.00 0.00 56.93 56.95 1uil s PHE 74 Cb -0.11 -0.78 -0.03 0.00 -1.31 0.00 0.00 43.02 40.79 1uil s PHE 74 CO 0.11 0.16 -0.05 0.00 1.83 0.00 0.00 175.22 177.27 1uil s ALA 75 N -1.77 0.46 -0.35 11.12 0.00 0.23 -4.89 121.76 126.55 1uil s ALA 75 Ca 0.07 -0.91 0.00 0.00 0.00 0.00 0.00 51.96 51.12 1uil s ALA 75 Cb -0.07 0.16 0.19 0.00 0.00 0.00 0.00 23.12 23.40 1uil s ALA 75 CO 0.03 -0.20 0.80 0.50 0.00 0.00 0.00 175.76 176.90 1uil s ARG 76 N -2.51 0.51 0.53 0.00 3.52 -1.26 -1.19 118.95 118.56 1uil s ARG 76 Ca -0.04 -0.04 0.08 0.00 -0.13 0.00 0.00 55.73 55.59 1uil s ARG 76 Cb -0.03 0.09 0.05 0.00 -1.56 0.00 0.00 34.95 33.50 1uil s ARG 76 CO -0.04 -0.78 0.59 -1.21 -0.81 0.00 0.00 175.30 173.05 1uil s GLU 77 N 2.14 2.36 -0.48 5.12 0.41 -0.91 -4.96 118.70 122.37 1uil s GLU 77 Ca 0.16 -1.73 0.06 0.00 -0.41 0.00 0.00 54.97 53.05 1uil s GLU 77 Cb -0.02 -2.43 0.21 0.00 -1.78 0.00 0.00 34.13 30.11 1uil s GLU 77 CO -0.14 -0.64 0.50 -2.39 -0.49 0.00 0.00 175.26 172.09 1uil n HIS 78 N -1.96 0.64 -1.66 1.61 1.44 -1.26 -2.27 115.22 111.76 1uil n HIS 78 Ca 0.08 -3.69 -0.30 0.00 -2.01 0.00 0.00 57.72 51.80 1uil n HIS 78 Cb 0.62 -0.22 0.21 0.00 0.12 0.00 0.00 29.99 30.72 1uil n HIS 78 CO 0.00 0.00 0.00 0.20 -2.81 0.00 0.00 176.34 173.73 1uil s GLY 79 N -1.04 1.73 -0.12 -1.39 0.00 -1.25 -4.95 107.32 100.31 1uil s GLY 79 Ca 0.34 -1.18 -0.20 0.00 0.00 0.00 0.00 44.72 43.67 1uil s GLY 79 CO -0.13 -0.35 0.58 0.23 0.00 0.00 0.00 173.10 173.43 1uil h SER 80 N -2.01 -0.02 -2.57 1.64 0.87 -1.92 -3.32 113.55 106.23 1uil h SER 80 Ca -0.44 -0.64 -0.62 0.00 -1.23 0.00 0.00 61.79 58.85 1uil h SER 80 Cb 1.24 0.00 -0.15 0.00 -0.44 0.00 0.00 62.40 63.06 1uil h SER 80 CO 0.34 0.78 -0.77 0.20 -0.53 0.00 0.00 176.83 176.85 1uil s ASN 81 N -5.94 3.65 0.21 6.23 0.01 -1.26 -4.25 114.94 113.59 1uil s ASN 81 Ca -0.13 -0.92 -0.21 0.00 -0.71 0.00 0.00 52.86 50.88 1uil s ASN 81 Cb -0.02 -0.35 0.15 0.00 0.41 0.00 0.00 41.25 41.44 1uil s ASN 81 CO 0.48 0.07 1.55 0.11 -1.51 0.00 0.00 177.10 177.80 1uil h LYS 82 N 2.57 -0.03 0.00 -0.60 1.57 -1.91 0.14 116.57 118.31 1uil h LYS 82 Ca -0.43 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.35 1uil h LYS 82 Cb 1.24 0.01 0.00 0.00 0.08 0.00 0.00 32.23 33.56 1uil h LYS 82 CO 0.56 -0.02 0.00 1.63 -0.57 0.00 0.00 179.45 181.05 1uil n LYS 83 N -5.42 0.00 0.00 3.15 4.76 -1.26 0.61 118.16 120.00 1uil n LYS 83 Ca 0.07 0.78 0.00 0.00 -2.87 0.00 0.00 58.31 56.29 1uil n LYS 83 Cb 0.36 -1.45 0.00 0.00 -1.84 0.00 0.00 35.03 32.10 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 -2.47 0.00 -0.23 -0.35 4.77 -0.45 0.22 117.00 118.50 1uil n LEU 84 Ca 0.00 0.93 -0.06 0.00 -0.03 0.00 0.00 56.01 56.86 1uil n LEU 84 Cb 0.00 -0.44 -0.05 0.00 -2.33 0.00 0.00 43.42 40.59 1uil n LEU 84 CO 0.00 -0.44 0.42 0.00 -1.33 0.00 0.00 177.39 176.04 1uil n ALA 85 N -2.80 -0.34 -0.07 -1.18 0.00 0.36 -0.37 120.51 116.11 1uil n ALA 85 Ca 0.00 0.46 -0.03 0.00 0.00 0.00 0.00 53.44 53.87 1uil n ALA 85 Cb 0.00 0.09 -0.02 0.00 0.00 0.00 0.00 19.45 19.51 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 -0.06 -0.27 -0.94 0.00 0.00 0.18 0.61 119.26 118.78 1uil h ALA 86 Ca 0.09 0.01 0.35 0.00 0.00 0.00 0.00 54.91 55.36 1uil h ALA 86 Cb 0.22 0.95 -0.17 0.00 0.00 0.00 0.00 17.79 18.79 1uil h ALA 86 CO -0.51 -0.35 0.34 1.04 0.00 0.00 0.00 179.25 179.78 1uil n GLN 87 N -3.45 -0.06 -0.01 0.00 6.02 0.13 0.17 117.38 120.18 1uil n GLN 87 Ca -0.00 1.33 -0.12 0.00 -0.01 0.00 0.00 57.00 58.20 1uil n GLN 87 Cb 0.07 -2.30 -0.08 0.00 1.02 0.00 0.00 30.24 28.96 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 0.09 0.03 1.08 0.02 0.29 -2.06 113.55 113.01 1uil h SER 88 Ca 0.72 -0.30 0.03 0.00 -0.84 0.00 0.00 61.79 61.40 1uil h SER 88 Cb 1.80 -0.03 -0.05 0.00 0.14 0.00 0.00 62.40 64.26 1uil h SER 88 CO -0.78 0.37 -0.40 0.00 -1.14 0.00 0.00 176.83 174.88 1uil n ALA 90 N -2.84 -0.12 -0.49 0.00 0.00 0.41 0.37 120.51 117.84 1uil n ALA 90 Ca -0.06 0.00 0.41 0.00 0.00 0.00 0.00 53.44 53.79 1uil n ALA 90 Cb 0.36 0.34 0.68 0.00 0.00 0.00 0.00 19.45 20.83 1uil n ALA 90 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 1uil n LEU 91 N -2.47 0.19 0.24 0.00 7.94 -0.78 0.15 117.00 122.26 1uil n LEU 91 Ca 0.00 1.34 -0.15 0.00 -1.11 0.00 0.00 56.01 56.09 1uil n LEU 91 Cb 0.00 -0.66 -0.08 0.00 0.53 0.00 0.00 43.42 43.21 1uil n LEU 91 CO 0.00 -1.45 0.69 -1.28 -1.11 0.00 0.00 177.39 174.25 1uil h SER 92 N 0.00 -0.66 -0.57 1.96 0.87 0.23 0.30 113.55 115.68 1uil h SER 92 Ca 0.88 0.04 -0.08 0.00 -1.23 0.00 0.00 61.79 61.40 1uil h SER 92 Cb 2.89 0.20 -0.02 0.00 -0.44 0.00 0.00 62.40 65.03 1uil h SER 92 CO -0.42 -0.41 0.06 -0.07 -0.53 0.00 0.00 176.83 175.46 1uil h LEU 93 N -0.63 0.94 0.28 2.23 -0.00 0.27 -2.58 115.31 115.81 1uil h LEU 93 Ca -0.04 -0.28 -0.00 0.00 -0.00 0.00 0.00 57.88 57.56 1uil h LEU 93 Cb 0.53 -0.25 -0.03 0.00 -0.00 0.00 0.00 40.66 40.91 1uil h LEU 93 CO 0.03 0.99 -0.48 0.58 -0.00 0.00 0.00 178.44 179.56 1uil h VAL 94 N 0.86 0.00 -0.61 1.22 2.07 -0.10 0.51 116.25 120.20 1uil h VAL 94 Ca 0.17 0.00 0.10 0.00 0.82 0.00 0.00 66.70 67.79 1uil h VAL 94 Cb 0.47 0.00 -0.11 0.00 -1.52 0.00 0.00 31.29 30.13 1uil h VAL 94 CO 0.02 0.00 -0.36 0.03 0.02 0.00 0.00 177.57 177.28 1uil h ARG 95 N -0.80 -0.16 -0.29 1.57 3.08 -0.36 0.14 114.38 117.55 1uil h ARG 95 Ca -0.03 0.01 0.05 0.00 0.07 0.00 0.00 59.98 60.08 1uil h ARG 95 Cb 0.75 0.04 -0.05 0.00 0.08 0.00 0.00 29.97 30.78 1uil h ARG 95 CO -0.17 -0.11 -0.03 1.96 -1.07 0.00 0.00 179.97 180.56 1uil h GLN 96 N -0.17 0.05 -0.35 0.04 4.20 -1.02 0.50 115.11 118.35 1uil h GLN 96 Ca 0.23 -0.00 0.08 0.00 0.06 0.00 0.00 58.65 59.01 1uil h GLN 96 Cb 0.56 -0.01 -0.09 0.00 0.30 0.00 0.00 27.48 28.24 1uil h GLN 96 CO -0.70 0.03 -0.28 -0.07 -0.67 0.00 0.00 178.83 177.15 1uil h LEU 97 N 0.05 -0.91 -0.39 1.46 3.38 0.24 0.42 115.31 119.57 1uil h LEU 97 Ca 0.14 0.17 -0.01 0.00 0.09 0.00 0.00 57.88 58.27 1uil h LEU 97 Cb 0.20 0.44 -0.02 0.00 0.09 0.00 0.00 40.66 41.37 1uil h LEU 97 CO -0.26 -0.29 0.20 0.22 0.09 0.00 0.00 178.44 178.39 1uil h TYR 98 N -0.23 0.54 0.25 1.13 5.03 -0.13 0.86 116.97 124.43 1uil h TYR 98 Ca 0.17 -0.02 -0.00 0.00 2.58 0.00 0.00 58.73 61.46 1uil h TYR 98 Cb 0.50 -0.17 -0.02 0.00 1.55 0.00 0.00 36.73 38.58 1uil h TYR 98 CO -0.48 0.44 -0.38 1.25 -1.32 0.00 0.00 178.16 177.67 1uil h HIS 99 N 0.49 -1.08 -0.52 -3.82 2.76 0.13 -2.35 115.15 110.76 1uil h HIS 99 Ca 0.13 0.02 0.09 0.00 -2.20 0.00 0.00 60.37 58.41 1uil h HIS 99 Cb 0.09 0.44 -0.07 0.00 1.55 0.00 0.00 27.41 29.41 1uil h HIS 99 CO -0.02 -0.47 0.10 -0.07 -1.30 0.00 0.00 177.93 176.17 1uil h LEU 100 N -0.67 -0.01 0.00 0.26 3.38 -0.18 -3.46 115.31 114.63 1uil h LEU 100 Ca -0.03 0.09 0.00 0.00 0.09 0.00 0.00 57.88 58.04 1uil h LEU 100 Cb 0.61 0.13 0.00 0.00 0.09 0.00 0.00 40.66 41.49 1uil h LEU 100 CO -0.12 0.02 0.00 0.61 0.09 0.00 0.00 178.44 179.04 1uil n GLY 101 N -1.29 0.37 0.59 0.83 0.00 0.52 -5.08 105.19 101.13 1uil n GLY 101 Ca 0.06 -0.66 -0.06 0.00 0.00 0.00 0.00 46.02 45.37 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 0.34 -3.22 1.61 0.31 0.27 -4.98 118.33 112.66 1uil n VAL 102 Ca 0.00 -0.10 -0.21 0.00 -0.01 0.00 0.00 64.34 64.02 1uil n VAL 102 Cb 0.00 -1.34 0.05 0.00 -0.91 0.00 0.00 33.84 31.64 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 -2.12 2.05 0.02 2.52 -4.36 -1.23 -4.95 121.20 113.13 1uil s ILE 103 Ca -0.09 -1.11 0.04 0.00 -0.26 0.00 0.00 60.65 59.24 1uil s ILE 103 Cb 0.03 -2.16 -0.02 0.00 1.25 0.00 0.00 42.46 41.56 1uil s ILE 103 CO 0.12 0.00 -0.13 -1.83 0.24 0.00 0.00 174.94 173.34 1uil s GLU 104 N -4.58 0.91 0.18 0.37 -1.05 -1.26 -4.63 118.70 108.64 1uil s GLU 104 Ca 0.56 -0.62 -0.28 0.00 -0.15 0.00 0.00 54.97 54.48 1uil s GLU 104 Cb -0.05 -0.89 -0.17 0.00 -0.44 0.00 0.00 34.13 32.59 1uil s GLU 104 CO 0.35 0.23 0.55 0.00 0.95 0.00 0.00 175.26 177.33 1uil n ALA 105 N 2.24 -2.89 -0.97 -0.84 0.00 -1.26 -4.88 120.51 111.89 1uil n ALA 105 Ca -0.17 0.44 -0.29 0.00 0.00 0.00 0.00 53.44 53.43 1uil n ALA 105 Cb 0.55 -1.58 0.20 0.00 0.00 0.00 0.00 19.45 18.62 1uil n ALA 105 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 177.50 177.03 1uil s TYR 106 N -0.91 1.87 -0.21 0.00 5.04 -1.26 -4.93 117.35 116.96 1uil s TYR 106 Ca 0.65 1.07 0.12 0.00 -2.44 0.00 0.00 57.07 56.46 1uil s TYR 106 Cb -0.93 -3.21 0.43 0.00 0.35 0.00 0.00 41.96 38.59 1uil s TYR 106 CO 0.55 -3.18 1.21 0.45 -1.34 0.00 0.00 175.55 173.24 1uil n SER 107 N -4.40 1.99 -4.71 4.32 2.88 -1.26 -4.59 113.62 107.85 1uil n SER 107 Ca 0.05 -3.76 -0.43 0.00 -1.33 0.00 0.00 58.87 53.39 1uil n SER 107 Cb 0.56 -0.50 -0.03 0.00 -0.75 0.00 0.00 64.21 63.50 1uil n SER 107 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 1uil n SER 108 N -0.97 3.68 -0.15 -3.46 2.88 -1.26 -4.58 113.62 109.75 1uil n SER 108 Ca 0.21 1.09 0.00 0.00 -1.33 0.00 0.00 58.87 58.84 1uil n SER 108 Cb 0.75 -1.54 0.00 0.00 -0.75 0.00 0.00 64.21 62.67 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 3.28 -3.27 3.66 0.46 0.00 -1.26 -4.92 105.19 103.15 1uil n GLY 109 Ca 0.14 -0.92 -0.43 0.00 0.00 0.00 0.00 46.02 44.81 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 -3.71 4.24 -0.86 1.61 0.04 -1.26 -4.95 135.00 130.11 1uil s PRO 110 Ca 0.00 1.68 -0.25 0.00 0.04 0.00 0.00 61.00 62.47 1uil s PRO 110 Cb 0.00 -3.75 0.01 0.00 0.04 0.00 0.00 34.50 30.80 1uil s PRO 110 CO 0.00 -0.69 1.58 -1.12 0.04 0.00 0.00 177.00 176.81 1uil s SER 111 N 1.97 5.92 0.23 6.66 0.01 -1.26 -4.46 113.70 122.77 1uil s SER 111 Ca 0.55 -0.74 0.00 0.00 1.31 0.00 0.00 55.95 57.07 1uil s SER 111 Cb -0.22 -2.56 0.00 0.00 0.21 0.00 0.00 66.02 63.45 1uil s SER 111 CO 0.16 -2.00 0.00 -1.20 0.41 0.00 0.00 173.24 170.60 1uil n SER 112 N 10.75 0.05 0.00 2.44 7.64 -1.26 -4.38 113.62 128.86 1uil n SER 112 Ca 0.25 0.39 0.00 0.00 1.01 0.00 0.00 58.87 60.52 1uil n SER 112 Cb 0.50 0.25 0.00 0.00 -1.01 0.00 0.00 64.21 63.95 1uil n SER 112 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64