#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 5.33 -0.13 1.61 0.01 -1.26 -5.06 113.70 114.20 1uil s SER 2 Ca 0.00 -2.56 -0.01 0.00 1.31 0.00 0.00 55.95 54.69 1uil s SER 2 Cb 0.00 -1.87 -0.02 0.00 0.21 0.00 0.00 66.02 64.34 1uil s SER 2 CO 0.00 -0.45 -0.09 -0.55 0.41 0.00 0.00 173.24 172.56 1uil s SER 3 N 1.19 4.35 0.52 2.44 0.15 -1.26 -5.12 113.70 115.98 1uil s SER 3 Ca 0.14 -0.22 0.07 0.00 0.70 0.00 0.00 55.95 56.63 1uil s SER 3 Cb -0.21 -1.60 0.04 0.00 -1.71 0.00 0.00 66.02 62.54 1uil s SER 3 CO -0.04 0.19 0.49 -0.83 1.20 0.00 0.00 173.24 174.26 1uil s GLY 4 N 0.20 2.18 0.21 9.45 0.00 -1.26 -5.15 107.32 112.95 1uil s GLY 4 Ca -0.06 -1.60 -0.23 0.00 0.00 0.00 0.00 44.72 42.84 1uil s GLY 4 CO 0.04 -1.83 0.77 -1.35 0.00 0.00 0.00 173.10 170.73 1uil s SER 5 N -4.34 -0.30 -0.26 1.64 1.04 -1.26 -5.18 113.70 105.04 1uil s SER 5 Ca 0.43 -0.42 -0.27 0.00 0.48 0.00 0.00 55.95 56.17 1uil s SER 5 Cb -0.03 0.62 0.17 0.00 0.10 0.00 0.00 66.02 66.88 1uil s SER 5 CO 0.27 -1.12 1.25 -0.55 0.98 0.00 0.00 173.24 174.07 1uil s SER 6 N -2.87 -0.18 0.00 7.02 0.15 -1.26 -5.14 113.70 111.42 1uil s SER 6 Ca 0.09 0.28 0.00 0.00 0.70 0.00 0.00 55.95 57.02 1uil s SER 6 Cb -0.04 0.26 0.00 0.00 -1.71 0.00 0.00 66.02 64.53 1uil s SER 6 CO 0.01 -0.11 0.00 0.61 1.20 0.00 0.00 173.24 174.95 1uil n GLY 7 N 1.19 2.06 2.94 9.45 0.00 -1.26 -5.13 105.19 114.44 1uil n GLY 7 Ca -0.08 -0.88 -0.26 0.00 0.00 0.00 0.00 46.02 44.81 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 1.33 -0.29 0.99 1.43 -1.26 -5.09 118.68 115.79 1uil s LEU 8 Ca 0.00 -0.29 0.03 0.00 -1.03 0.00 0.00 54.13 52.84 1uil s LEU 8 Cb 0.00 -0.81 0.17 0.00 0.03 0.00 0.00 46.19 45.58 1uil s LEU 8 CO 0.00 -0.07 0.46 -1.61 0.23 0.00 0.00 176.35 175.36 1uil s GLU 9 N 1.35 0.46 -0.27 1.70 2.02 -1.26 -5.00 118.70 117.70 1uil s GLU 9 Ca -0.02 0.25 0.06 0.00 0.02 0.00 0.00 54.97 55.28 1uil s GLU 9 Cb -0.14 -0.14 0.54 0.00 0.10 0.00 0.00 34.13 34.50 1uil s GLU 9 CO -0.04 -1.04 1.59 0.45 0.02 0.00 0.00 175.26 176.24 1uil n SER 10 N 5.37 3.95 -3.28 -0.19 2.88 -1.26 -4.58 113.62 116.51 1uil n SER 10 Ca 0.02 -3.01 -0.14 0.00 -1.33 0.00 0.00 58.87 54.41 1uil n SER 10 Cb 0.51 -0.71 -0.06 0.00 -0.75 0.00 0.00 64.21 63.20 1uil n SER 10 CO 0.00 0.00 0.00 -1.61 -1.23 0.00 0.00 175.04 172.20 1uil s GLU 11 N -2.40 0.75 -0.38 -1.46 2.02 -1.26 -5.08 118.70 110.88 1uil s GLU 11 Ca 0.42 -0.97 0.01 0.00 0.02 0.00 0.00 54.97 54.44 1uil s GLU 11 Cb 0.34 -0.63 0.13 0.00 0.10 0.00 0.00 34.13 34.07 1uil s GLU 11 CO 0.10 -1.24 0.20 -2.00 0.02 0.00 0.00 175.26 172.34 1uil s GLU 12 N 1.24 0.91 0.06 1.61 2.12 -1.26 -5.11 118.70 118.27 1uil s GLU 12 Ca 0.20 -1.56 0.05 0.00 0.36 0.00 0.00 54.97 54.02 1uil s GLU 12 Cb -0.10 -1.92 -0.03 0.00 0.26 0.00 0.00 34.13 32.34 1uil s GLU 12 CO -0.05 -1.13 -0.15 0.08 -0.54 0.00 0.00 175.26 173.46 1uil s VAL 13 N 0.89 1.19 -0.39 3.70 1.01 -1.26 -5.08 120.40 120.47 1uil s VAL 13 Ca 0.16 -1.16 0.03 0.00 0.00 0.00 0.00 61.98 61.01 1uil s VAL 13 Cb -0.22 -1.10 0.16 0.00 0.00 0.00 0.00 36.38 35.21 1uil s VAL 13 CO -0.06 -0.06 0.34 -1.81 0.00 0.00 0.00 175.10 173.50 1uil s ASP 14 N -1.40 1.63 0.56 3.32 1.01 -1.26 -5.06 116.67 115.46 1uil s ASP 14 Ca 0.01 -2.18 0.00 0.00 0.71 0.00 0.00 52.55 51.09 1uil s ASP 14 Cb -0.09 0.09 0.00 0.00 1.01 0.00 0.00 42.92 43.93 1uil s ASP 14 CO 0.02 -0.24 0.00 0.18 0.21 0.00 0.00 175.17 175.34 1uil n LEU 15 N 3.72 0.00 0.25 1.23 7.99 -1.26 -1.44 117.00 127.49 1uil n LEU 15 Ca 0.17 0.06 0.13 0.00 -0.01 0.00 0.00 56.01 56.36 1uil n LEU 15 Cb 0.44 -0.19 0.60 0.00 -0.11 0.00 0.00 43.42 44.15 1uil n LEU 15 CO 0.10 -0.93 0.90 -0.55 -1.51 0.00 0.00 177.39 175.39 1uil h ASN 16 N -0.06 0.00 -0.30 -1.43 -1.07 -2.01 -3.06 115.58 107.66 1uil h ASN 16 Ca 0.00 0.00 0.07 0.00 0.07 0.00 0.00 56.30 56.44 1uil h ASN 16 Cb 0.05 0.00 -0.08 0.00 -2.07 0.00 0.00 38.32 36.23 1uil h ASN 16 CO 0.00 0.14 -0.29 0.00 0.07 0.00 0.00 177.43 177.35 1uil h ALA 17 N 1.86 -0.19 -0.57 4.14 0.00 -1.99 -1.85 119.26 120.66 1uil h ALA 17 Ca -0.00 0.08 0.07 0.00 0.00 0.00 0.00 54.91 55.06 1uil h ALA 17 Cb 0.58 0.61 -0.10 0.00 0.00 0.00 0.00 17.79 18.88 1uil h ALA 17 CO 0.02 -0.71 -0.51 0.78 0.00 0.00 0.00 179.25 178.82 1uil h GLY 18 N -0.28 -0.75 -0.52 0.00 0.00 -1.13 0.42 103.07 100.82 1uil h GLY 18 Ca 0.15 0.67 0.05 0.00 0.00 0.00 0.00 47.33 48.20 1uil h GLY 18 CO -0.45 -0.11 -0.44 1.41 0.00 0.00 0.00 176.54 176.94 1uil h LEU 19 N -0.27 -1.54 0.07 3.11 3.38 -1.50 -1.88 115.31 116.67 1uil h LEU 19 Ca 0.13 0.22 0.01 0.00 0.09 0.00 0.00 57.88 58.33 1uil h LEU 19 Cb 0.56 0.66 -0.03 0.00 0.09 0.00 0.00 40.66 41.94 1uil h LEU 19 CO -0.69 -0.25 -0.33 0.45 0.09 0.00 0.00 178.44 177.71 1uil h HIS 20 N -0.17 -0.96 0.00 1.13 3.86 -0.73 -3.48 115.15 114.80 1uil h HIS 20 Ca 0.09 0.03 0.00 0.00 -1.16 0.00 0.00 60.37 59.32 1uil h HIS 20 Cb 0.39 0.41 0.00 0.00 1.06 0.00 0.00 27.41 29.27 1uil h HIS 20 CO -0.84 -0.37 0.00 0.41 0.86 0.00 0.00 177.93 177.99 1uil n GLY 21 N -1.30 2.78 2.73 2.45 0.00 0.14 -4.98 105.19 107.01 1uil n GLY 21 Ca -0.05 -0.51 -0.40 0.00 0.00 0.00 0.00 46.02 45.06 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 4.52 -4.13 1.61 3.02 -1.25 -4.81 115.26 114.22 1uil n ASN 22 Ca 0.00 -2.69 -0.36 0.00 -0.03 0.00 0.00 54.58 51.49 1uil n ASN 22 Cb 0.00 -1.44 -0.12 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 3.50 3.57 0.01 3.10 0.23 -1.26 -4.23 118.94 123.86 1uil s TRP 23 Ca 0.53 -2.37 -0.07 0.00 -2.03 0.00 0.00 56.10 52.17 1uil s TRP 23 Cb 0.14 -3.19 -0.05 0.00 0.03 0.00 0.00 33.47 30.41 1uil s TRP 23 CO -0.03 -0.97 0.27 0.95 0.96 0.00 0.00 176.95 178.14 1uil s THR 24 N 1.16 5.29 0.21 2.01 -4.23 -1.26 -4.82 115.64 114.00 1uil s THR 24 Ca 0.08 0.18 0.09 0.00 -1.18 0.00 0.00 61.69 60.86 1uil s THR 24 Cb -0.23 -3.57 0.22 0.00 1.34 0.00 0.00 72.50 70.26 1uil s THR 24 CO -0.04 0.36 0.95 0.18 -0.54 0.00 0.00 174.62 175.53 1uil n LEU 25 N 1.11 0.13 0.09 4.79 4.77 -1.26 0.71 117.00 127.33 1uil n LEU 25 Ca -0.11 1.00 -0.04 0.00 -0.03 0.00 0.00 56.01 56.84 1uil n LEU 25 Cb 0.53 -0.45 -0.02 0.00 -2.33 0.00 0.00 43.42 41.15 1uil n LEU 25 CO 0.41 -1.09 0.43 -0.08 -1.33 0.00 0.00 177.39 175.73 1uil h GLU 26 N 0.00 -0.23 -0.52 3.23 4.81 -1.93 -2.33 114.58 117.62 1uil h GLU 26 Ca 0.47 0.02 0.06 0.00 -0.13 0.00 0.00 59.36 59.78 1uil h GLU 26 Cb 1.18 0.05 -0.09 0.00 0.63 0.00 0.00 28.75 30.52 1uil h GLU 26 CO -0.49 -0.15 -0.54 -0.91 -0.73 0.00 0.00 179.01 176.19 1uil h ASN 27 N -0.27 -1.83 -0.83 1.04 4.21 -0.10 0.56 115.58 118.36 1uil h ASN 27 Ca -0.02 0.26 0.10 0.00 1.21 0.00 0.00 56.30 57.85 1uil h ASN 27 Cb 0.18 0.77 -0.12 0.00 -1.12 0.00 0.00 38.32 38.04 1uil h ASN 27 CO 0.04 -0.37 -0.40 0.00 -1.29 0.00 0.00 177.43 175.41 1uil n ALA 28 N -3.12 -0.29 -0.32 -0.83 0.00 0.68 0.12 120.51 116.75 1uil n ALA 28 Ca -0.02 0.77 0.00 0.00 0.00 0.00 0.00 53.44 54.20 1uil n ALA 28 Cb 0.33 -0.26 0.00 0.00 0.00 0.00 0.00 19.45 19.52 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 -0.18 0.00 4.81 0.13 0.07 118.16 117.85 1uil n LYS 29 Ca 0.06 0.61 -0.08 0.00 -0.87 0.00 0.00 58.31 58.03 1uil n LYS 29 Cb 0.28 -1.34 -0.06 0.00 0.02 0.00 0.00 35.03 33.93 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 -1.63 -0.46 -0.83 3.14 0.00 -0.41 -0.22 119.26 118.85 1uil h ALA 30 Ca 0.00 0.04 0.08 0.00 0.00 0.00 0.00 54.91 55.02 1uil h ALA 30 Cb 0.00 1.11 -0.10 0.00 0.00 0.00 0.00 17.79 18.80 1uil h ALA 30 CO 0.00 -0.67 -0.49 -2.13 0.00 0.00 0.00 179.25 175.96 1uil n ARG 31 N -4.36 -0.36 -0.25 0.00 3.00 0.33 0.12 116.66 115.14 1uil n ARG 31 Ca -0.00 1.25 -0.02 0.00 -0.00 0.00 0.00 57.85 59.08 1uil n ARG 31 Cb 0.18 -1.84 0.04 0.00 0.00 0.00 0.00 32.46 30.84 1uil n ARG 31 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.63 178.88 1uil h LEU 32 N 0.00 -1.02 -1.67 6.15 5.85 0.14 1.62 115.31 126.38 1uil h LEU 32 Ca 0.13 0.24 -0.01 0.00 0.84 0.00 0.00 57.88 59.08 1uil h LEU 32 Cb 0.34 0.56 -0.01 0.00 0.37 0.00 0.00 40.66 41.92 1uil h LEU 32 CO -0.78 -0.28 0.06 -1.13 -0.34 0.00 0.00 178.44 175.97 1uil h ASN 33 N -0.08 0.24 0.25 1.25 -0.73 0.20 -0.38 115.58 116.33 1uil h ASN 33 Ca 0.29 -0.02 -0.11 0.00 1.87 0.00 0.00 56.30 58.33 1uil h ASN 33 Cb 0.56 -0.06 -0.01 0.00 0.27 0.00 0.00 38.32 39.07 1uil h ASN 33 CO -0.75 0.24 -0.43 1.56 -0.37 0.00 0.00 177.43 177.68 1uil h GLN 34 N 0.28 0.24 -0.02 6.67 1.08 0.85 -0.18 115.11 124.03 1uil h GLN 34 Ca 0.07 -0.12 -0.16 0.00 -1.45 0.00 0.00 58.65 56.99 1uil h GLN 34 Cb 0.09 0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 27.50 1uil h GLN 34 CO -0.01 0.63 -0.72 -0.92 -0.95 0.00 0.00 178.83 176.87 1uil h TYR 35 N 0.20 0.14 0.00 2.96 3.20 0.18 0.18 116.97 123.82 1uil h TYR 35 Ca 0.02 -0.07 -0.10 0.00 3.14 0.00 0.00 58.73 61.72 1uil h TYR 35 Cb 0.85 -0.02 -0.02 0.00 1.54 0.00 0.00 36.73 39.09 1uil h TYR 35 CO 0.02 0.78 -0.65 0.74 -1.64 0.00 0.00 178.16 177.41 1uil h PHE 36 N 0.07 0.00 0.12 -3.82 0.04 -1.02 -2.45 116.94 109.88 1uil h PHE 36 Ca -0.02 0.00 -0.34 0.00 2.80 0.00 0.00 57.97 60.42 1uil h PHE 36 Cb 1.27 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 39.40 1uil h PHE 36 CO 0.01 0.45 -1.77 -0.56 -0.60 0.00 0.00 178.31 175.83 1uil h GLN 37 N 0.00 0.25 0.31 1.51 3.07 -0.94 0.89 115.11 120.20 1uil h GLN 37 Ca -0.03 -0.43 -0.02 0.00 0.09 0.00 0.00 58.65 58.26 1uil h GLN 37 Cb 1.37 0.16 0.00 0.00 0.08 0.00 0.00 27.48 29.09 1uil h GLN 37 CO 0.05 1.11 -0.15 0.87 0.09 0.00 0.00 178.83 180.80 1uil h LYS 38 N 0.07 -0.40 0.00 0.06 1.79 -0.74 -3.07 116.57 114.29 1uil h LYS 38 Ca -0.34 0.03 0.00 0.00 -2.18 0.00 0.00 60.65 58.16 1uil h LYS 38 Cb 2.04 0.09 0.00 0.00 -1.58 0.00 0.00 32.23 32.78 1uil h LYS 38 CO 0.13 -0.07 0.00 0.93 -1.08 0.00 0.00 179.45 179.36 1uil h GLU 39 N -0.84 0.00 -0.08 3.15 4.39 -1.62 -3.46 114.58 116.12 1uil h GLU 39 Ca -0.04 0.00 -0.03 0.00 0.34 0.00 0.00 59.36 59.63 1uil h GLU 39 Cb 0.52 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.16 1uil h GLU 39 CO 0.07 0.00 -0.02 1.63 -1.16 0.00 0.00 179.01 179.53 1uil n LYS 40 N -2.65 -0.09 -1.77 2.33 4.76 -0.61 -5.03 118.16 115.10 1uil n LYS 40 Ca 0.03 0.46 -0.30 0.00 -2.87 0.00 0.00 58.31 55.63 1uil n LYS 40 Cb 0.35 -4.02 0.07 0.00 -1.84 0.00 0.00 35.03 29.60 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 -2.05 3.01 -0.07 -0.18 1.01 0.30 -4.93 121.20 118.29 1uil s ILE 41 Ca 0.00 0.33 0.01 0.00 0.00 0.00 0.00 60.65 60.99 1uil s ILE 41 Cb 0.00 -3.24 0.02 0.00 0.01 0.00 0.00 42.46 39.25 1uil s ILE 41 CO 0.00 -0.43 -0.08 0.00 0.00 0.00 0.00 174.94 174.43 1uil s GLN 42 N -5.34 1.35 -0.28 2.79 -2.07 -1.26 -4.43 119.66 110.41 1uil s GLN 42 Ca 0.60 -0.26 -0.15 0.00 -1.82 0.00 0.00 55.36 53.73 1uil s GLN 42 Cb -0.12 -1.25 0.10 0.00 -1.09 0.00 0.00 33.01 30.65 1uil s GLN 42 CO 0.52 -0.09 0.76 0.20 -1.32 0.00 0.00 175.29 175.36 1uil s GLY 43 N 1.03 -0.50 0.27 2.60 0.00 -1.26 -5.10 107.32 104.36 1uil s GLY 43 Ca -0.08 2.59 0.02 0.00 0.00 0.00 0.00 44.72 47.25 1uil s GLY 43 CO -0.00 2.55 0.14 -1.84 0.00 0.00 0.00 173.10 173.95 1uil n GLU 44 N 4.33 1.17 -5.10 2.90 0.28 -1.26 -5.08 120.64 117.88 1uil n GLU 44 Ca -0.18 -1.76 -0.32 0.00 -0.16 0.00 0.00 57.16 54.74 1uil n GLU 44 Cb 0.57 0.28 -0.15 0.00 1.43 0.00 0.00 31.44 33.57 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 -1.52 2.52 -0.33 -1.84 1.51 -1.26 -4.64 117.35 111.78 1uil s TYR 45 Ca 0.11 -0.35 -0.12 0.00 -1.01 0.00 0.00 57.07 55.70 1uil s TYR 45 Cb -0.01 -1.58 -0.01 0.00 -0.11 0.00 0.00 41.96 40.25 1uil s TYR 45 CO 0.07 0.03 0.21 0.21 -1.11 0.00 0.00 175.55 174.97 1uil s LYS 46 N -0.58 3.40 -0.26 -0.62 2.47 0.28 -4.89 119.74 119.54 1uil s LYS 46 Ca 0.08 -0.70 -0.20 0.00 -1.56 0.00 0.00 55.97 53.60 1uil s LYS 46 Cb -0.11 -3.73 -0.02 0.00 -1.46 0.00 0.00 37.83 32.51 1uil s LYS 46 CO 0.00 -0.46 0.60 0.71 0.16 0.00 0.00 175.35 176.37 1uil s TYR 47 N 1.68 3.27 -0.32 4.03 2.02 -1.25 0.22 117.35 127.01 1uil s TYR 47 Ca 0.05 0.75 -0.07 0.00 -0.37 0.00 0.00 57.07 57.44 1uil s TYR 47 Cb -0.17 -2.82 0.02 0.00 -0.40 0.00 0.00 41.96 38.59 1uil s TYR 47 CO 0.09 -0.32 0.09 0.99 -1.57 0.00 0.00 175.55 174.83 1uil s THR 48 N 2.46 3.92 -0.11 -0.71 2.01 0.53 -4.81 115.64 118.93 1uil s THR 48 Ca 0.25 -0.87 -0.30 0.00 0.31 0.00 0.00 61.69 61.08 1uil s THR 48 Cb -0.15 -3.10 -0.01 0.00 0.01 0.00 0.00 72.50 69.24 1uil s THR 48 CO 0.09 -0.03 1.01 -1.58 -0.69 0.00 0.00 174.62 173.42 1uil s GLN 49 N 1.46 4.42 0.39 4.92 -0.44 -1.26 0.19 119.66 129.34 1uil s GLN 49 Ca 0.01 1.40 0.04 0.00 -2.50 0.00 0.00 55.36 54.31 1uil s GLN 49 Cb -0.18 -3.54 -0.04 0.00 -1.64 0.00 0.00 33.01 27.60 1uil s GLN 49 CO 0.03 -0.32 0.08 0.14 0.50 0.00 0.00 175.29 175.71 1uil s VAL 50 N 2.03 0.98 0.33 1.34 -7.23 0.00 -4.96 120.40 112.90 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 -0.18 -2.54 0.00 0.00 0.56 0.00 0.00 36.38 34.21 1uil s VAL 50 CO 0.18 0.00 0.00 0.61 -0.31 0.00 0.00 175.10 175.58 1uil n GLY 51 N -0.86 -2.06 3.81 2.32 0.00 -1.26 -1.81 105.19 105.33 1uil n GLY 51 Ca -0.06 -1.19 -0.30 0.00 0.00 0.00 0.00 46.02 44.46 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 -2.40 2.33 0.09 1.61 0.04 -1.11 -4.67 135.00 130.89 1uil s PRO 52 Ca 0.00 0.73 -0.30 0.00 0.04 0.00 0.00 61.00 61.47 1uil s PRO 52 Cb 0.00 -1.94 -0.15 0.00 0.04 0.00 0.00 34.50 32.45 1uil s PRO 52 CO 0.00 -1.47 1.64 0.22 0.04 0.00 0.00 177.00 177.43 1uil h ASP 53 N -0.98 -0.68 -1.30 6.66 3.58 -1.97 0.43 116.42 122.15 1uil h ASP 53 Ca -0.46 0.05 0.42 0.00 0.42 0.00 0.00 57.03 57.45 1uil h ASP 53 Cb 1.25 0.21 -0.12 0.00 1.72 0.00 0.00 39.33 42.39 1uil h ASP 53 CO 0.59 -0.42 0.84 1.12 -2.88 0.00 0.00 179.24 178.49 1uil h HIS 54 N -0.65 0.52 -1.85 0.28 2.07 -2.00 -3.12 115.15 110.41 1uil h HIS 54 Ca -0.04 0.02 -0.37 0.00 -2.85 0.00 0.00 60.37 57.14 1uil h HIS 54 Cb 0.54 -0.13 -0.30 0.00 2.57 0.00 0.00 27.41 30.10 1uil h HIS 54 CO -0.11 -0.17 -0.70 1.21 -3.07 0.00 0.00 177.93 175.08 1uil s ASN 55 N -4.57 0.72 0.36 3.10 3.84 -0.51 -5.14 114.94 112.74 1uil s ASN 55 Ca -0.08 -1.86 0.08 0.00 0.21 0.00 0.00 52.86 51.22 1uil s ASN 55 Cb 0.29 0.63 -0.06 0.00 -0.55 0.00 0.00 41.25 41.56 1uil s ASN 55 CO 0.82 -0.21 0.02 0.00 -2.79 0.00 0.00 177.10 174.95 1uil s ARG 56 N 1.10 2.04 -0.05 0.43 1.70 0.14 -2.74 118.95 121.57 1uil s ARG 56 Ca 0.22 -1.86 -0.03 0.00 -0.47 0.00 0.00 55.73 53.60 1uil s ARG 56 Cb -0.09 -1.85 0.03 0.00 -0.57 0.00 0.00 34.95 32.46 1uil s ARG 56 CO -0.06 0.06 0.12 -1.12 -1.08 0.00 0.00 175.30 173.22 1uil s SER 57 N -3.73 -0.08 -0.49 -2.89 0.01 -0.75 -4.96 113.70 100.81 1uil s SER 57 Ca 0.36 0.24 -0.21 0.00 1.31 0.00 0.00 55.95 57.64 1uil s SER 57 Cb 0.03 0.15 0.04 0.00 0.21 0.00 0.00 66.02 66.45 1uil s SER 57 CO 0.19 -0.12 0.72 -0.36 0.41 0.00 0.00 173.24 174.09 1uil s PHE 58 N 0.90 2.98 -0.36 2.43 0.08 -1.25 -0.82 117.98 121.94 1uil s PHE 58 Ca -0.07 -0.21 -0.29 0.00 0.12 0.00 0.00 56.93 56.48 1uil s PHE 58 Cb -0.09 -3.63 0.02 0.00 -0.57 0.00 0.00 43.02 38.74 1uil s PHE 58 CO -0.04 -1.07 1.13 0.42 -0.10 0.00 0.00 175.22 175.56 1uil s ILE 59 N 3.07 4.38 -0.41 0.64 1.01 0.50 -3.52 121.20 126.86 1uil s ILE 59 Ca 0.22 1.54 -0.20 0.00 0.00 0.00 0.00 60.65 62.21 1uil s ILE 59 Cb -0.15 -4.43 0.02 0.00 0.01 0.00 0.00 42.46 37.91 1uil s ILE 59 CO 0.17 -0.62 0.63 0.00 0.00 0.00 0.00 174.94 175.12 1uil s ALA 60 N 3.97 3.38 0.03 9.38 0.00 -0.43 0.20 121.76 138.30 1uil s ALA 60 Ca 0.48 -1.12 0.09 0.00 0.00 0.00 0.00 51.96 51.40 1uil s ALA 60 Cb -0.12 -3.26 -0.03 0.00 0.00 0.00 0.00 23.12 19.72 1uil s ALA 60 CO 0.21 -1.66 -0.26 -1.83 0.00 0.00 0.00 175.76 172.22 1uil s GLU 61 N 2.77 1.86 -0.01 0.00 -1.05 0.13 -2.21 118.70 120.19 1uil s GLU 61 Ca 0.23 -1.08 -0.13 0.00 -0.15 0.00 0.00 54.97 53.84 1uil s GLU 61 Cb -0.14 -2.00 0.02 0.00 -0.44 0.00 0.00 34.13 31.57 1uil s GLU 61 CO 0.18 0.52 0.27 1.41 0.95 0.00 0.00 175.26 178.59 1uil s MET 62 N -1.15 0.62 0.02 -4.83 1.75 -0.75 0.10 119.30 115.06 1uil s MET 62 Ca 0.12 -0.23 0.01 0.00 -1.25 0.00 0.00 55.69 54.34 1uil s MET 62 Cb -0.10 0.27 -0.01 0.00 2.84 0.00 0.00 34.83 37.83 1uil s MET 62 CO 0.02 -0.17 -0.05 0.99 -0.65 0.00 0.00 175.02 175.16 1uil s THR 63 N -1.32 0.32 0.06 10.11 2.01 -1.26 -0.23 115.64 125.33 1uil s THR 63 Ca -0.14 -0.58 -0.05 0.00 0.31 0.00 0.00 61.69 61.24 1uil s THR 63 Cb -0.06 -0.35 -0.02 0.00 0.01 0.00 0.00 72.50 72.08 1uil s THR 63 CO 0.04 -0.18 0.07 0.27 -0.69 0.00 0.00 174.62 174.13 1uil s ILE 64 N -0.74 0.17 -0.07 1.82 -4.36 -0.91 -4.92 121.20 112.18 1uil s ILE 64 Ca -0.05 -1.41 0.05 0.00 -0.26 0.00 0.00 60.65 58.98 1uil s ILE 64 Cb -0.06 -1.28 -0.01 0.00 1.25 0.00 0.00 42.46 42.36 1uil s ILE 64 CO -0.00 -0.78 -0.23 -0.47 0.24 0.00 0.00 174.94 173.71 1uil s TYR 65 N -3.53 2.53 -0.28 1.37 6.14 -1.26 0.06 117.35 122.37 1uil s TYR 65 Ca 0.03 -0.74 -0.08 0.00 0.64 0.00 0.00 57.07 56.93 1uil s TYR 65 Cb 0.04 -1.65 -0.01 0.00 0.42 0.00 0.00 41.96 40.76 1uil s TYR 65 CO -0.09 -0.22 0.09 0.42 0.64 0.00 0.00 175.55 176.39 1uil s ILE 66 N -0.05 4.26 0.08 3.14 -1.09 0.28 -4.94 121.20 122.88 1uil s ILE 66 Ca -0.06 -0.43 -0.10 0.00 -2.23 0.00 0.00 60.65 57.82 1uil s ILE 66 Cb -0.15 -3.11 -0.24 0.00 -1.58 0.00 0.00 42.46 37.38 1uil s ILE 66 CO 0.05 0.17 1.19 0.07 -1.23 0.00 0.00 174.94 175.19 1uil h LYS 67 N 8.27 0.55 0.00 2.79 2.10 -1.94 0.21 116.57 128.55 1uil h LYS 67 Ca -0.34 -0.67 0.00 0.00 -2.00 0.00 0.00 60.65 57.64 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 1.27 0.00 0.00 -2.00 0.00 0.00 179.45 179.32 1uil n GLN 68 N -3.77 0.13 -0.06 0.07 10.64 -1.26 -1.77 117.38 121.35 1uil n GLN 68 Ca -0.10 0.62 -0.08 0.00 -1.83 0.00 0.00 57.00 55.60 1uil n GLN 68 Cb 0.92 -1.91 -0.07 0.00 -0.86 0.00 0.00 30.24 28.33 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 -2.17 2.14 0.00 2.61 4.77 -1.14 -5.02 117.00 118.20 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 0.04 -0.27 0.00 0.00 -2.33 0.00 0.00 43.42 40.86 1uil n LEU 69 CO 0.09 0.60 0.00 0.61 -1.33 0.00 0.00 177.39 177.36 1uil n GLY 70 N 2.71 0.69 0.77 -0.72 0.00 0.68 -5.05 105.19 104.27 1uil n GLY 70 Ca -0.22 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 45.74 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 -2.03 0.59 -4.08 1.61 -4.01 -0.78 -4.98 116.66 102.98 1uil n ARG 71 Ca 0.00 -0.79 -0.09 0.00 -1.04 0.00 0.00 57.85 55.93 1uil n ARG 71 Cb 0.00 0.50 -0.10 0.00 -3.04 0.00 0.00 32.46 29.82 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 -2.35 0.59 0.47 2.89 1.70 -1.26 0.10 118.95 121.10 1uil s ARG 72 Ca 0.06 -1.07 0.05 0.00 -0.47 0.00 0.00 55.73 54.30 1uil s ARG 72 Cb 0.00 0.03 -0.03 0.00 -0.57 0.00 0.00 34.95 34.39 1uil s ARG 72 CO 0.04 -0.06 0.13 0.96 -1.08 0.00 0.00 175.30 175.30 1uil s ILE 73 N -3.05 1.72 0.13 4.99 -4.36 0.11 -4.93 121.20 115.81 1uil s ILE 73 Ca 0.01 -1.82 -0.12 0.00 -0.26 0.00 0.00 60.65 58.47 1uil s ILE 73 Cb 0.02 -2.54 0.01 0.00 1.25 0.00 0.00 42.46 41.20 1uil s ILE 73 CO -0.06 0.00 0.32 0.12 0.24 0.00 0.00 174.94 175.56 1uil s PHE 74 N -2.75 0.06 0.11 1.37 2.19 -1.26 -2.14 117.98 115.56 1uil s PHE 74 Ca 0.26 -0.43 -0.14 0.00 0.33 0.00 0.00 56.93 56.95 1uil s PHE 74 Cb 0.03 0.10 0.03 0.00 -1.31 0.00 0.00 43.02 41.87 1uil s PHE 74 CO 0.15 -0.68 0.35 0.00 1.83 0.00 0.00 175.22 176.86 1uil s ALA 75 N -3.87 -0.77 -0.30 11.12 0.00 0.68 -4.81 121.76 123.81 1uil s ALA 75 Ca 0.08 -0.17 -0.14 0.00 0.00 0.00 0.00 51.96 51.73 1uil s ALA 75 Cb 0.03 0.63 0.18 0.00 0.00 0.00 0.00 23.12 23.96 1uil s ALA 75 CO -0.08 -0.60 1.10 0.50 0.00 0.00 0.00 175.76 176.68 1uil s ARG 76 N -3.75 0.12 0.42 0.00 3.00 -1.26 -1.81 118.95 115.66 1uil s ARG 76 Ca 0.03 0.17 0.04 0.00 -1.00 0.00 0.00 55.73 54.96 1uil s ARG 76 Cb 0.02 0.09 -0.04 0.00 0.00 0.00 0.00 34.95 35.02 1uil s ARG 76 CO -0.11 -0.18 0.05 -1.21 0.00 0.00 0.00 175.30 173.85 1uil s GLU 77 N 2.97 1.95 -0.26 5.12 0.41 -0.94 -4.97 118.70 122.97 1uil s GLU 77 Ca 0.12 -2.17 0.02 0.00 -0.41 0.00 0.00 54.97 52.53 1uil s GLU 77 Cb -0.05 -1.14 0.05 0.00 -1.78 0.00 0.00 34.13 31.21 1uil s GLU 77 CO -0.16 -0.29 -0.10 -3.38 -0.49 0.00 0.00 175.26 170.84 1uil s HIS 78 N -3.04 3.23 -0.04 1.61 -3.43 -1.26 -1.31 115.29 111.05 1uil s HIS 78 Ca 0.24 -2.20 0.02 0.00 -0.80 0.00 0.00 55.06 52.32 1uil s HIS 78 Cb 0.05 -1.96 -0.03 0.00 -1.43 0.00 0.00 32.58 29.22 1uil s HIS 78 CO 0.12 -0.86 -0.08 0.20 -2.00 0.00 0.00 174.74 172.12 1uil s GLY 79 N 1.14 1.69 0.18 -1.38 0.00 -1.23 -4.90 107.32 102.82 1uil s GLY 79 Ca -0.07 -0.95 -0.14 0.00 0.00 0.00 0.00 44.72 43.56 1uil s GLY 79 CO -0.05 -0.75 1.69 1.76 0.00 0.00 0.00 173.10 175.75 1uil h SER 80 N 5.03 -0.17 -4.38 1.64 0.02 -1.93 -3.34 113.55 110.43 1uil h SER 80 Ca -0.48 0.11 -0.64 0.00 -0.84 0.00 0.00 61.79 59.93 1uil h SER 80 Cb 1.17 0.19 -0.28 0.00 0.14 0.00 0.00 62.40 63.62 1uil h SER 80 CO 0.52 -0.05 -0.87 0.54 -1.14 0.00 0.00 176.83 175.84 1uil s ASN 81 N -5.26 2.79 0.31 3.07 2.20 -1.26 -4.64 114.94 112.15 1uil s ASN 81 Ca -0.13 -0.50 0.02 0.00 -0.94 0.00 0.00 52.86 51.30 1uil s ASN 81 Cb 0.16 -0.27 0.76 0.00 -2.00 0.00 0.00 41.25 39.89 1uil s ASN 81 CO 0.72 0.24 1.57 0.11 -2.94 0.00 0.00 177.10 176.80 1uil h LYS 82 N 5.11 0.01 -0.18 3.55 1.57 -1.87 0.84 116.57 125.60 1uil h LYS 82 Ca -0.43 -0.00 0.05 0.00 -1.87 0.00 0.00 60.65 58.39 1uil h LYS 82 Cb 1.14 -0.00 -0.07 0.00 0.08 0.00 0.00 32.23 33.38 1uil h LYS 82 CO 0.45 0.00 -0.44 -0.22 -0.57 0.00 0.00 179.45 178.67 1uil h LYS 83 N 0.01 -0.46 0.48 3.15 1.63 -1.95 0.48 116.57 119.91 1uil h LYS 83 Ca 0.60 0.03 -0.02 0.00 -0.85 0.00 0.00 60.65 60.41 1uil h LYS 83 Cb 1.24 0.10 0.00 0.00 -0.60 0.00 0.00 32.23 32.98 1uil h LYS 83 CO -0.93 -0.31 -0.23 1.25 -3.45 0.00 0.00 179.45 175.78 1uil h LEU 84 N -0.48 -0.55 -0.32 5.20 5.85 -0.03 -2.38 115.31 122.60 1uil h LEU 84 Ca 0.08 -0.04 0.03 0.00 0.84 0.00 0.00 57.88 58.79 1uil h LEU 84 Cb 0.63 0.14 -0.04 0.00 0.37 0.00 0.00 40.66 41.76 1uil h LEU 84 CO -0.44 -0.30 -0.19 0.00 -0.34 0.00 0.00 178.44 177.17 1uil h ALA 85 N -0.32 -0.20 -0.91 1.25 0.00 0.78 0.47 119.26 120.33 1uil h ALA 85 Ca -0.07 0.04 0.17 0.00 0.00 0.00 0.00 54.91 55.05 1uil h ALA 85 Cb 0.55 1.11 -0.17 0.00 0.00 0.00 0.00 17.79 19.28 1uil h ALA 85 CO 0.11 -0.33 -0.27 0.00 0.00 0.00 0.00 179.25 178.76 1uil h ALA 86 N -0.53 0.48 -0.18 0.00 0.00 -0.05 0.60 119.26 119.58 1uil h ALA 86 Ca 0.05 0.33 0.02 0.00 0.00 0.00 0.00 54.91 55.32 1uil h ALA 86 Cb 0.14 0.76 -0.04 0.00 0.00 0.00 0.00 17.79 18.65 1uil h ALA 86 CO -0.30 -0.45 -0.32 1.96 0.00 0.00 0.00 179.25 180.13 1uil h GLN 87 N -0.01 -0.26 -0.71 0.00 4.20 0.39 0.30 115.11 119.02 1uil h GLN 87 Ca 0.41 0.02 0.09 0.00 0.06 0.00 0.00 58.65 59.23 1uil h GLN 87 Cb 0.65 0.06 -0.11 0.00 0.30 0.00 0.00 27.48 28.37 1uil h GLN 87 CO -0.94 -0.17 -0.48 0.77 -0.67 0.00 0.00 178.83 177.34 1uil h SER 88 N -0.27 -1.67 -0.21 1.46 0.02 0.85 0.14 113.55 113.87 1uil h SER 88 Ca 0.03 0.27 0.03 0.00 -0.84 0.00 0.00 61.79 61.29 1uil h SER 88 Cb 0.36 0.76 -0.06 0.00 0.14 0.00 0.00 62.40 63.60 1uil h SER 88 CO -0.31 -0.31 -0.50 0.00 -1.14 0.00 0.00 176.83 174.56 1uil h ALA 90 N -0.32 -0.40 -0.90 0.00 0.00 0.16 0.91 119.26 118.71 1uil h ALA 90 Ca 0.04 0.06 0.25 0.00 0.00 0.00 0.00 54.91 55.25 1uil h ALA 90 Cb 0.59 1.18 -0.14 0.00 0.00 0.00 0.00 17.79 19.42 1uil h ALA 90 CO -0.45 -0.63 0.32 1.25 0.00 0.00 0.00 179.25 179.74 1uil h LEU 91 N -0.05 0.16 -0.31 0.00 5.85 0.04 0.57 115.31 121.56 1uil h LEU 91 Ca 0.09 0.19 0.07 0.00 0.84 0.00 0.00 57.88 59.06 1uil h LEU 91 Cb 0.28 0.22 -0.08 0.00 0.37 0.00 0.00 40.66 41.45 1uil h LEU 91 CO -0.53 -0.12 -0.27 -1.28 -0.34 0.00 0.00 178.44 175.90 1uil h SER 92 N 0.27 -0.87 -0.33 1.25 0.87 0.46 0.73 113.55 115.93 1uil h SER 92 Ca 0.58 0.16 -0.06 0.00 -1.23 0.00 0.00 61.79 61.24 1uil h SER 92 Cb 1.19 0.41 -0.01 0.00 -0.44 0.00 0.00 62.40 63.56 1uil h SER 92 CO -0.62 -0.29 -0.04 -0.07 -0.53 0.00 0.00 176.83 175.28 1uil h LEU 93 N -0.24 0.60 -0.66 2.23 -0.00 0.95 -2.33 115.31 115.86 1uil h LEU 93 Ca 0.16 -0.33 0.13 0.00 -0.00 0.00 0.00 57.88 57.83 1uil h LEU 93 Cb 0.49 -0.16 -0.09 0.00 -0.00 0.00 0.00 40.66 40.89 1uil h LEU 93 CO -0.45 0.79 0.17 0.58 -0.00 0.00 0.00 178.44 179.53 1uil h VAL 94 N 0.40 0.62 0.00 1.22 2.07 0.11 0.60 116.25 121.26 1uil h VAL 94 Ca 0.09 -0.10 0.00 0.00 0.82 0.00 0.00 66.70 67.51 1uil h VAL 94 Cb 0.51 0.30 0.00 0.00 -1.52 0.00 0.00 31.29 30.57 1uil h VAL 94 CO 0.02 0.05 0.00 0.54 0.02 0.00 0.00 177.57 178.21 1uil n ARG 95 N -5.11 0.00 -0.40 1.57 5.12 0.24 -0.93 116.66 117.15 1uil n ARG 95 Ca 0.11 0.37 0.32 0.00 -1.93 0.00 0.00 57.85 56.72 1uil n ARG 95 Cb 0.36 -1.37 0.60 0.00 -1.16 0.00 0.00 32.46 30.89 1uil n ARG 95 CO 0.00 0.00 0.00 -0.56 -1.93 0.00 0.00 177.63 175.14 1uil h GLN 96 N 0.00 0.16 0.78 5.56 3.07 -1.25 0.43 115.11 123.86 1uil h GLN 96 Ca 0.00 -0.01 -0.04 0.00 0.09 0.00 0.00 58.65 58.69 1uil h GLN 96 Cb 0.00 -0.04 0.00 0.00 0.08 0.00 0.00 27.48 27.53 1uil h GLN 96 CO 0.00 0.10 -0.40 -0.07 0.09 0.00 0.00 178.83 178.55 1uil h LEU 97 N 0.16 -0.97 0.44 0.06 3.38 0.42 -1.49 115.31 117.32 1uil h LEU 97 Ca 0.78 0.04 -0.01 0.00 0.09 0.00 0.00 57.88 58.78 1uil h LEU 97 Cb 2.25 0.26 -0.02 0.00 0.09 0.00 0.00 40.66 43.24 1uil h LEU 97 CO -0.46 -0.66 -0.38 0.22 0.09 0.00 0.00 178.44 177.25 1uil h TYR 98 N -1.09 -1.01 -0.62 1.13 5.03 0.16 0.25 116.97 120.82 1uil h TYR 98 Ca -0.11 0.00 0.06 0.00 2.58 0.00 0.00 58.73 61.26 1uil h TYR 98 Cb 0.84 0.39 -0.08 0.00 1.55 0.00 0.00 36.73 39.43 1uil h TYR 98 CO -0.04 -0.54 -0.38 1.25 -1.32 0.00 0.00 178.16 177.14 1uil h HIS 99 N -0.82 -1.21 -0.58 -3.82 2.76 -0.85 0.51 115.15 111.14 1uil h HIS 99 Ca -0.04 0.08 0.11 0.00 -2.20 0.00 0.00 60.37 58.32 1uil h HIS 99 Cb 0.71 0.61 -0.09 0.00 1.55 0.00 0.00 27.41 30.19 1uil h HIS 99 CO -0.18 -0.24 0.08 -0.07 -1.30 0.00 0.00 177.93 176.22 1uil h LEU 100 N -0.01 -0.09 0.00 0.26 3.38 -1.14 -3.46 115.31 114.25 1uil h LEU 100 Ca 0.10 0.12 0.00 0.00 0.09 0.00 0.00 57.88 58.19 1uil h LEU 100 Cb 0.27 0.19 0.00 0.00 0.09 0.00 0.00 40.66 41.20 1uil h LEU 100 CO -0.59 -0.03 0.00 0.61 0.09 0.00 0.00 178.44 178.52 1uil n GLY 101 N -1.33 0.84 0.33 0.83 0.00 0.18 -5.07 105.19 100.97 1uil n GLY 101 Ca 0.08 -0.20 -0.13 0.00 0.00 0.00 0.00 46.02 45.77 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 0.81 -3.32 1.61 0.31 0.67 -4.98 118.33 113.43 1uil n VAL 102 Ca 0.00 -0.25 -0.22 0.00 -0.01 0.00 0.00 64.34 63.86 1uil n VAL 102 Cb 0.00 -1.39 0.03 0.00 -0.91 0.00 0.00 33.84 31.58 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 -2.28 2.06 0.04 2.52 -4.36 -1.25 -4.95 121.20 112.98 1uil s ILE 103 Ca -0.20 -1.17 0.05 0.00 -0.26 0.00 0.00 60.65 59.07 1uil s ILE 103 Cb 0.07 -2.22 -0.02 0.00 1.25 0.00 0.00 42.46 41.53 1uil s ILE 103 CO 0.29 0.00 -0.14 -1.83 0.24 0.00 0.00 174.94 173.50 1uil s GLU 104 N -4.51 0.96 0.20 0.37 -1.05 -1.26 -4.64 118.70 108.78 1uil s GLU 104 Ca 0.52 -0.75 -0.29 0.00 -0.15 0.00 0.00 54.97 54.30 1uil s GLU 104 Cb -0.05 -0.97 -0.17 0.00 -0.44 0.00 0.00 34.13 32.50 1uil s GLU 104 CO 0.33 0.24 0.67 0.00 0.95 0.00 0.00 175.26 177.45 1uil n ALA 105 N 1.94 -2.36 -0.60 -0.84 0.00 -1.26 -4.91 120.51 112.48 1uil n ALA 105 Ca -0.18 0.44 -0.15 0.00 0.00 0.00 0.00 53.44 53.56 1uil n ALA 105 Cb 0.55 -1.71 0.22 0.00 0.00 0.00 0.00 19.45 18.51 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 0.19 -3.52 -2.40 0.00 9.36 -1.26 -4.94 117.16 114.59 1uil n TYR 106 Ca 0.16 -0.69 0.01 0.00 3.32 0.00 0.00 57.90 60.70 1uil n TYR 106 Cb 0.25 -0.96 0.00 0.00 -0.63 0.00 0.00 39.34 38.00 1uil n TYR 106 CO 0.00 0.00 0.00 0.45 0.22 0.00 0.00 176.86 177.53 1uil n SER 107 N -5.02 0.50 -0.26 2.98 2.88 -1.26 -4.70 113.62 108.73 1uil n SER 107 Ca 0.11 -2.01 -0.07 0.00 -1.33 0.00 0.00 58.87 55.58 1uil n SER 107 Cb 0.47 -0.14 -0.06 0.00 -0.75 0.00 0.00 64.21 63.73 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 0.28 -0.67 0.00 -3.46 2.88 -1.26 -4.95 113.62 106.44 1uil n SER 108 Ca -0.03 1.44 0.00 0.00 -1.33 0.00 0.00 58.87 58.95 1uil n SER 108 Cb 1.02 -0.30 0.00 0.00 -0.75 0.00 0.00 64.21 64.17 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 -1.16 1.42 2.46 0.46 0.00 -1.26 -4.67 105.19 102.45 1uil n GLY 109 Ca 0.01 -1.94 -0.28 0.00 0.00 0.00 0.00 46.02 43.81 1uil n GLY 109 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1uil n PRO 110 N 1.77 2.72 -2.07 1.61 -0.04 -1.26 -4.66 135.00 133.07 1uil n PRO 110 Ca 0.00 -1.72 -0.00 0.00 -0.04 0.00 0.00 63.50 61.74 1uil n PRO 110 Cb 0.00 -2.56 -0.00 0.00 -0.04 0.00 0.00 33.50 30.90 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 3.85 -7.48 -3.65 3.54 2.88 -1.26 -5.01 113.62 106.50 1uil n SER 111 Ca 0.58 1.43 -0.29 0.00 -1.33 0.00 0.00 58.87 59.26 1uil n SER 111 Cb 0.20 -4.30 -0.13 0.00 -0.75 0.00 0.00 64.21 59.24 1uil n SER 111 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 1uil s SER 112 N -0.47 3.49 0.00 -3.46 0.15 -1.26 -5.24 113.70 106.91 1uil s SER 112 Ca -0.01 -2.43 0.28 0.00 0.70 0.00 0.00 55.95 54.48 1uil s SER 112 Cb 0.00 -0.85 0.96 0.00 -1.71 0.00 0.00 66.02 64.42 1uil s SER 112 CO 0.04 -0.29 1.69 0.61 1.20 0.00 0.00 173.24 176.49