#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 -0.65 0.01 1.61 0.01 -1.26 -5.17 113.70 108.25 1uil s SER 2 Ca 0.00 1.24 -0.03 0.00 1.31 0.00 0.00 55.95 58.47 1uil s SER 2 Cb 0.00 1.26 -0.01 0.00 0.21 0.00 0.00 66.02 67.48 1uil s SER 2 CO 0.00 -0.22 0.04 -0.55 0.41 0.00 0.00 173.24 172.92 1uil s SER 3 N 0.31 0.13 0.31 2.44 0.15 -1.26 -5.17 113.70 110.60 1uil s SER 3 Ca 0.01 -0.32 0.00 0.00 0.70 0.00 0.00 55.95 56.34 1uil s SER 3 Cb -0.05 0.14 0.00 0.00 -1.71 0.00 0.00 66.02 64.40 1uil s SER 3 CO -0.01 -0.29 0.00 0.61 1.20 0.00 0.00 173.24 174.74 1uil n GLY 4 N 1.72 0.98 3.27 9.45 0.00 -1.26 -5.13 105.19 114.21 1uil n GLY 4 Ca -0.22 -1.98 -0.11 0.00 0.00 0.00 0.00 46.02 43.70 1uil n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1uil s SER 5 N -1.00 -0.48 -0.30 1.61 0.01 -1.26 -5.15 113.70 107.14 1uil s SER 5 Ca 0.00 0.85 -0.16 0.00 1.31 0.00 0.00 55.95 57.95 1uil s SER 5 Cb 0.00 0.77 0.20 0.00 0.21 0.00 0.00 66.02 67.20 1uil s SER 5 CO 0.00 -0.18 1.24 -0.44 0.41 0.00 0.00 173.24 174.27 1uil s SER 6 N 1.06 -0.10 0.00 2.44 0.01 -1.26 -5.08 113.70 110.77 1uil s SER 6 Ca -0.07 0.15 0.00 0.00 1.31 0.00 0.00 55.95 57.35 1uil s SER 6 Cb -0.07 1.05 0.00 0.00 0.21 0.00 0.00 66.02 67.21 1uil s SER 6 CO -0.09 -0.02 0.00 0.61 0.41 0.00 0.00 173.24 174.15 1uil n GLY 7 N 3.28 -1.14 2.99 3.44 0.00 -1.26 -5.11 105.19 107.39 1uil n GLY 7 Ca -0.16 0.37 -0.32 0.00 0.00 0.00 0.00 46.02 45.91 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 4.80 -0.44 0.99 1.43 -1.26 -4.91 118.68 119.29 1uil s LEU 8 Ca 0.00 -3.30 0.09 0.00 -1.03 0.00 0.00 54.13 49.89 1uil s LEU 8 Cb 0.00 -1.72 0.40 0.00 0.03 0.00 0.00 46.19 44.90 1uil s LEU 8 CO 0.00 -0.21 1.00 -1.84 0.23 0.00 0.00 176.35 175.52 1uil n GLU 9 N 2.78 2.62 -1.66 1.70 0.28 -1.26 -5.02 120.64 120.09 1uil n GLU 9 Ca 0.12 -4.20 -0.16 0.00 -0.16 0.00 0.00 57.16 52.76 1uil n GLU 9 Cb 0.35 -1.97 -0.09 0.00 1.43 0.00 0.00 31.44 31.16 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 -3.31 3.87 -0.86 -1.84 0.01 -1.26 -4.83 113.70 105.48 1uil s SER 10 Ca 0.43 -0.54 -0.25 0.00 1.31 0.00 0.00 55.95 56.90 1uil s SER 10 Cb 0.38 -2.57 -0.04 0.00 0.21 0.00 0.00 66.02 64.00 1uil s SER 10 CO -0.12 -4.10 1.90 -1.61 0.41 0.00 0.00 173.24 169.72 1uil s GLU 11 N 8.40 2.63 -0.39 12.44 0.41 -1.26 -4.85 118.70 136.08 1uil s GLU 11 Ca 0.85 -0.18 0.01 0.00 -0.41 0.00 0.00 54.97 55.23 1uil s GLU 11 Cb -0.08 -4.96 0.13 0.00 -1.78 0.00 0.00 34.13 27.44 1uil s GLU 11 CO 0.12 -3.20 0.21 -2.00 -0.49 0.00 0.00 175.26 169.90 1uil s GLU 12 N 6.89 0.95 0.08 1.61 2.12 -1.26 -5.10 118.70 123.99 1uil s GLU 12 Ca 0.68 -1.64 0.02 0.00 0.36 0.00 0.00 54.97 54.39 1uil s GLU 12 Cb -0.07 -1.93 -0.03 0.00 0.26 0.00 0.00 34.13 32.35 1uil s GLU 12 CO 0.02 -1.15 -0.08 0.08 -0.54 0.00 0.00 175.26 173.59 1uil s VAL 13 N 0.77 0.68 -0.11 3.70 1.01 -1.26 -4.97 120.40 120.22 1uil s VAL 13 Ca 0.17 -1.57 -0.01 0.00 0.00 0.00 0.00 61.98 60.57 1uil s VAL 13 Cb -0.23 -1.23 -0.03 0.00 0.00 0.00 0.00 36.38 34.89 1uil s VAL 13 CO -0.03 -0.64 -0.06 1.51 0.00 0.00 0.00 175.10 175.88 1uil s ASP 14 N -2.40 4.62 0.00 3.32 1.47 -1.26 -4.90 116.67 117.52 1uil s ASP 14 Ca 0.03 -0.10 0.00 0.00 1.18 0.00 0.00 52.55 53.65 1uil s ASP 14 Cb -0.02 -1.47 0.00 0.00 -0.34 0.00 0.00 42.92 41.09 1uil s ASP 14 CO -0.02 0.26 0.00 -0.11 0.68 0.00 0.00 175.17 175.98 1uil n LEU 15 N 2.91 0.70 0.05 2.11 -0.00 -1.26 -4.34 117.00 117.17 1uil n LEU 15 Ca -0.18 0.08 -0.10 0.00 -0.00 0.00 0.00 56.01 55.81 1uil n LEU 15 Cb 0.53 -0.20 -0.13 0.00 -0.00 0.00 0.00 43.42 43.62 1uil n LEU 15 CO 0.30 -0.20 -0.11 -0.55 -0.00 0.00 0.00 177.39 176.82 1uil h ASN 16 N 0.00 0.11 -0.08 1.96 -1.07 -2.01 -3.21 115.58 111.28 1uil h ASN 16 Ca 0.00 -0.14 0.02 0.00 0.07 0.00 0.00 56.30 56.26 1uil h ASN 16 Cb 0.00 -0.03 -0.00 0.00 -2.07 0.00 0.00 38.32 36.21 1uil h ASN 16 CO 0.00 1.11 0.26 0.00 0.07 0.00 0.00 177.43 178.87 1uil h ALA 17 N 0.87 1.44 0.00 4.14 0.00 -1.98 1.06 119.26 124.79 1uil h ALA 17 Ca -0.13 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.78 1uil h ALA 17 Cb 1.89 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.68 1uil h ALA 17 CO 0.13 -0.30 0.00 0.78 0.00 0.00 0.00 179.25 179.86 1uil h GLY 18 N 0.00 0.00 0.07 0.00 0.00 -1.75 -2.95 103.07 98.44 1uil h GLY 18 Ca 0.04 0.00 -0.37 0.00 0.00 0.00 0.00 47.33 47.00 1uil h GLY 18 CO -0.00 0.00 -2.03 -0.10 0.00 0.00 0.00 176.54 174.41 1uil n LEU 19 N -2.89 2.12 0.02 3.11 7.94 0.35 -4.57 117.00 123.08 1uil n LEU 19 Ca 0.04 0.30 -0.04 0.00 -1.11 0.00 0.00 56.01 55.19 1uil n LEU 19 Cb 0.46 -0.91 -0.03 0.00 0.53 0.00 0.00 43.42 43.47 1uil n LEU 19 CO 0.31 0.54 0.50 0.45 -1.11 0.00 0.00 177.39 178.09 1uil h HIS 20 N -0.77 -0.40 0.00 1.96 3.86 -1.14 -3.48 115.15 115.18 1uil h HIS 20 Ca -0.54 0.01 0.00 0.00 -1.16 0.00 0.00 60.37 58.68 1uil h HIS 20 Cb 1.59 0.17 0.00 0.00 1.06 0.00 0.00 27.41 30.23 1uil h HIS 20 CO 0.01 -0.15 0.00 0.41 0.86 0.00 0.00 177.93 179.06 1uil n GLY 21 N -1.12 1.75 2.72 2.45 0.00 -1.11 -4.99 105.19 104.88 1uil n GLY 21 Ca -0.02 -0.38 -0.38 0.00 0.00 0.00 0.00 46.02 45.24 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 4.70 -4.11 1.61 3.02 -1.24 -4.79 115.26 114.45 1uil n ASN 22 Ca 0.00 -2.65 -0.36 0.00 -0.03 0.00 0.00 54.58 51.54 1uil n ASN 22 Cb 0.00 -1.39 -0.11 0.00 -0.61 0.00 0.00 39.78 37.67 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 3.51 3.53 0.14 3.10 0.23 -1.26 -4.27 118.94 123.92 1uil s TRP 23 Ca 0.53 -2.52 -0.03 0.00 -2.03 0.00 0.00 56.10 52.06 1uil s TRP 23 Cb 0.14 -3.21 -0.05 0.00 0.03 0.00 0.00 33.47 30.38 1uil s TRP 23 CO -0.02 -0.93 0.34 0.95 0.96 0.00 0.00 176.95 178.26 1uil s THR 24 N 0.76 5.23 0.24 2.01 -4.23 -1.26 -4.76 115.64 113.63 1uil s THR 24 Ca 0.11 -0.17 0.06 0.00 -1.18 0.00 0.00 61.69 60.51 1uil s THR 24 Cb -0.22 -3.65 0.30 0.00 1.34 0.00 0.00 72.50 70.26 1uil s THR 24 CO -0.04 0.00 1.16 0.18 -0.54 0.00 0.00 174.62 175.39 1uil n LEU 25 N -0.07 0.01 0.30 4.79 4.77 -1.26 0.71 117.00 126.25 1uil n LEU 25 Ca -0.04 1.25 -0.12 0.00 -0.03 0.00 0.00 56.01 57.07 1uil n LEU 25 Cb 0.52 -0.50 -0.06 0.00 -2.33 0.00 0.00 43.42 41.05 1uil n LEU 25 CO 0.49 -1.30 0.41 -0.33 -1.33 0.00 0.00 177.39 175.32 1uil h GLU 26 N 0.00 -0.76 -0.14 3.23 5.08 -1.92 -2.52 114.58 117.54 1uil h GLU 26 Ca 0.50 0.05 0.03 0.00 -1.00 0.00 0.00 59.36 58.94 1uil h GLU 26 Cb 1.14 0.17 -0.06 0.00 0.50 0.00 0.00 28.75 30.51 1uil h GLU 26 CO -0.66 -0.51 -0.50 -0.91 -1.00 0.00 0.00 179.01 175.44 1uil h ASN 27 N -0.96 -1.58 -0.43 1.42 -0.26 -0.19 0.19 115.58 113.76 1uil h ASN 27 Ca -0.08 0.19 0.04 0.00 -0.56 0.00 0.00 56.30 55.89 1uil h ASN 27 Cb 0.60 0.62 -0.05 0.00 -1.06 0.00 0.00 38.32 38.43 1uil h ASN 27 CO 0.13 -0.43 -0.25 0.00 -1.06 0.00 0.00 177.43 175.81 1uil n ALA 28 N -2.97 -0.28 -0.03 -0.83 0.00 0.22 0.15 120.51 116.77 1uil n ALA 28 Ca -0.05 0.37 -0.10 0.00 0.00 0.00 0.00 53.44 53.65 1uil n ALA 28 Cb 0.34 0.11 -0.04 0.00 0.00 0.00 0.00 19.45 19.86 1uil n ALA 28 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 1uil h LYS 29 N 0.00 -0.35 0.00 0.00 3.64 -0.92 0.21 116.57 119.15 1uil h LYS 29 Ca 0.07 0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.47 1uil h LYS 29 Cb 0.18 0.08 0.00 0.00 -0.41 0.00 0.00 32.23 32.08 1uil h LYS 29 CO -0.41 -0.24 0.00 0.00 -2.27 0.00 0.00 179.45 176.54 1uil n ALA 30 N -2.87 -0.22 -0.38 5.00 0.00 0.21 -1.21 120.51 121.04 1uil n ALA 30 Ca -0.02 0.00 -0.05 0.00 0.00 0.00 0.00 53.44 53.36 1uil n ALA 30 Cb 0.33 0.26 -0.02 0.00 0.00 0.00 0.00 19.45 20.01 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 -2.42 -0.31 -0.31 0.00 3.00 0.39 0.12 116.66 117.13 1uil n ARG 31 Ca 0.00 1.43 0.03 0.00 -0.00 0.00 0.00 57.85 59.31 1uil n ARG 31 Cb 0.00 -2.11 0.11 0.00 0.00 0.00 0.00 32.46 30.46 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 -0.85 -0.95 6.15 5.85 -0.09 1.70 115.31 127.11 1uil h LEU 32 Ca 0.24 0.27 -0.03 0.00 0.84 0.00 0.00 57.88 59.20 1uil h LEU 32 Cb 0.48 0.56 -0.04 0.00 0.37 0.00 0.00 40.66 42.03 1uil h LEU 32 CO -0.91 -0.29 0.40 -1.13 -0.34 0.00 0.00 178.44 176.17 1uil h ASN 33 N -0.00 1.04 -0.75 1.25 -1.24 0.24 -1.77 115.58 114.35 1uil h ASN 33 Ca 0.41 -0.11 -0.03 0.00 0.71 0.00 0.00 56.30 57.28 1uil h ASN 33 Cb 0.64 -0.27 -0.03 0.00 0.73 0.00 0.00 38.32 39.39 1uil h ASN 33 CO -0.90 0.86 0.35 1.56 -1.29 0.00 0.00 177.43 178.01 1uil h GLN 34 N 1.14 1.08 -0.34 6.67 1.08 0.48 0.20 115.11 125.42 1uil h GLN 34 Ca 0.28 -0.17 -0.04 0.00 -1.45 0.00 0.00 58.65 57.28 1uil h GLN 34 Cb 0.09 -0.19 -0.02 0.00 -0.05 0.00 0.00 27.48 27.31 1uil h GLN 34 CO -0.04 0.85 0.04 -0.92 -0.95 0.00 0.00 178.83 177.82 1uil h TYR 35 N 1.05 0.53 0.00 2.96 3.20 0.11 0.43 116.97 125.24 1uil h TYR 35 Ca 0.26 -0.04 -0.03 0.00 3.14 0.00 0.00 58.73 62.05 1uil h TYR 35 Cb 0.13 -0.16 -0.00 0.00 1.54 0.00 0.00 36.73 38.24 1uil h TYR 35 CO 0.01 0.49 -0.37 0.74 -1.64 0.00 0.00 178.16 177.39 1uil h PHE 36 N 0.50 0.00 0.20 -3.82 0.04 -0.69 -2.41 116.94 110.76 1uil h PHE 36 Ca 0.11 0.00 -0.35 0.00 2.80 0.00 0.00 57.97 60.53 1uil h PHE 36 Cb 0.26 0.00 0.01 0.00 2.20 0.00 0.00 35.95 38.42 1uil h PHE 36 CO 0.01 0.14 -1.72 1.96 -0.60 0.00 0.00 178.31 178.09 1uil h GLN 37 N 0.00 0.42 0.20 1.51 1.08 0.22 0.34 115.11 118.88 1uil h GLN 37 Ca -0.01 -0.72 -0.01 0.00 -1.45 0.00 0.00 58.65 56.46 1uil h GLN 37 Cb 1.11 0.27 0.00 0.00 -0.05 0.00 0.00 27.48 28.81 1uil h GLN 37 CO 0.02 1.34 -0.09 0.87 -0.95 0.00 0.00 178.83 180.02 1uil h LYS 38 N 0.11 -0.25 0.00 1.46 1.79 -0.26 -2.95 116.57 116.47 1uil h LYS 38 Ca -0.33 0.02 0.00 0.00 -2.18 0.00 0.00 60.65 58.15 1uil h LYS 38 Cb 2.11 0.06 0.00 0.00 -1.58 0.00 0.00 32.23 32.82 1uil h LYS 38 CO 0.19 0.13 0.00 0.39 -1.08 0.00 0.00 179.45 179.09 1uil n GLU 39 N -5.00 0.12 -1.05 3.15 1.02 -0.91 -4.84 120.64 113.13 1uil n GLU 39 Ca -0.09 0.30 -0.02 0.00 -0.02 0.00 0.00 57.16 57.34 1uil n GLU 39 Cb 0.26 -1.70 -0.01 0.00 -0.02 0.00 0.00 31.44 29.97 1uil n GLU 39 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 1uil n LYS 40 N -1.92 -0.68 -1.15 3.49 4.76 -0.68 -4.99 118.16 116.99 1uil n LYS 40 Ca 0.03 0.30 -0.29 0.00 -2.87 0.00 0.00 58.31 55.48 1uil n LYS 40 Cb 0.24 -3.90 0.16 0.00 -1.84 0.00 0.00 35.03 29.69 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 -1.77 2.38 -0.09 -0.18 1.01 0.11 -4.92 121.20 117.75 1uil s ILE 41 Ca 0.00 0.12 0.01 0.00 0.00 0.00 0.00 60.65 60.79 1uil s ILE 41 Cb 0.00 -2.58 0.02 0.00 0.01 0.00 0.00 42.46 39.91 1uil s ILE 41 CO 0.00 -0.16 -0.11 0.00 0.00 0.00 0.00 174.94 174.67 1uil s GLN 42 N -4.92 1.69 -0.11 2.79 -2.07 -1.26 -4.48 119.66 111.30 1uil s GLN 42 Ca 0.64 -0.37 -0.07 0.00 -1.82 0.00 0.00 55.36 53.75 1uil s GLN 42 Cb -0.19 -1.53 0.04 0.00 -1.09 0.00 0.00 33.01 30.24 1uil s GLN 42 CO 0.58 -0.10 0.27 0.20 -1.32 0.00 0.00 175.29 174.92 1uil s GLY 43 N 1.11 -0.18 0.32 2.60 0.00 -1.26 -5.13 107.32 104.78 1uil s GLY 43 Ca -0.06 0.99 0.09 0.00 0.00 0.00 0.00 44.72 45.74 1uil s GLY 43 CO -0.02 1.12 -0.10 -0.54 0.00 0.00 0.00 173.10 173.56 1uil s GLU 44 N 0.93 1.74 -0.10 2.90 2.02 -1.26 -5.10 118.70 119.82 1uil s GLU 44 Ca -0.06 -1.88 -0.02 0.00 0.02 0.00 0.00 54.97 53.02 1uil s GLU 44 Cb -0.07 -1.58 -0.03 0.00 0.10 0.00 0.00 34.13 32.54 1uil s GLU 44 CO -0.06 0.14 -0.01 0.71 0.02 0.00 0.00 175.26 176.06 1uil s TYR 45 N -2.69 3.11 -0.37 1.61 1.51 -1.26 -4.70 117.35 114.55 1uil s TYR 45 Ca 0.31 0.07 -0.11 0.00 -1.01 0.00 0.00 57.07 56.34 1uil s TYR 45 Cb 0.02 -1.82 0.03 0.00 -0.11 0.00 0.00 41.96 40.07 1uil s TYR 45 CO 0.15 0.34 0.20 0.21 -1.11 0.00 0.00 175.55 175.34 1uil s LYS 46 N -0.58 2.81 -0.19 -0.62 2.47 0.55 -4.91 119.74 119.27 1uil s LYS 46 Ca 0.09 -1.09 -0.19 0.00 -1.56 0.00 0.00 55.97 53.23 1uil s LYS 46 Cb -0.12 -3.72 -0.03 0.00 -1.46 0.00 0.00 37.83 32.50 1uil s LYS 46 CO 0.02 -0.70 0.52 0.71 0.16 0.00 0.00 175.35 176.07 1uil s TYR 47 N 1.54 3.40 -0.31 4.03 2.02 -1.25 0.26 117.35 127.03 1uil s TYR 47 Ca 0.02 0.81 0.01 0.00 -0.37 0.00 0.00 57.07 57.54 1uil s TYR 47 Cb -0.19 -2.66 0.08 0.00 -0.40 0.00 0.00 41.96 38.78 1uil s TYR 47 CO 0.06 -0.07 0.01 0.99 -1.57 0.00 0.00 175.55 174.98 1uil s THR 48 N 1.50 2.57 0.12 -0.71 2.01 0.42 -4.80 115.64 116.75 1uil s THR 48 Ca 0.25 -1.84 -0.31 0.00 0.31 0.00 0.00 61.69 60.10 1uil s THR 48 Cb -0.15 -2.65 -0.07 0.00 0.01 0.00 0.00 72.50 69.63 1uil s THR 48 CO 0.10 -0.31 1.31 -1.58 -0.69 0.00 0.00 174.62 173.45 1uil s GLN 49 N 1.09 4.38 0.28 4.92 -0.44 -1.26 0.19 119.66 128.82 1uil s GLN 49 Ca 0.00 1.97 0.02 0.00 -2.50 0.00 0.00 55.36 54.86 1uil s GLN 49 Cb -0.20 -3.26 -0.04 0.00 -1.64 0.00 0.00 33.01 27.86 1uil s GLN 49 CO -0.05 -0.33 0.15 0.14 0.50 0.00 0.00 175.29 175.70 1uil s VAL 50 N 0.82 0.33 0.23 1.34 -7.23 -0.40 -4.91 120.40 110.58 1uil s VAL 50 Ca 0.61 -2.00 0.00 0.00 -1.81 0.00 0.00 61.98 58.78 1uil s VAL 50 Cb -0.34 -2.54 0.00 0.00 0.56 0.00 0.00 36.38 34.06 1uil s VAL 50 CO 0.32 0.00 0.00 0.61 -0.31 0.00 0.00 175.10 175.72 1uil n GLY 51 N -0.52 -1.82 3.81 2.32 0.00 -1.26 -1.99 105.19 105.73 1uil n GLY 51 Ca 0.01 -1.29 -0.32 0.00 0.00 0.00 0.00 46.02 44.42 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 -1.98 3.21 0.12 1.61 0.04 -1.14 -4.70 135.00 132.15 1uil s PRO 52 Ca 0.00 1.08 -0.29 0.00 0.04 0.00 0.00 61.00 61.83 1uil s PRO 52 Cb 0.00 -2.02 -0.08 0.00 0.04 0.00 0.00 34.50 32.44 1uil s PRO 52 CO 0.00 -0.89 1.60 0.22 0.04 0.00 0.00 177.00 177.97 1uil h ASP 53 N -0.01 -1.10 -0.98 6.66 1.82 -1.97 0.25 116.42 121.09 1uil h ASP 53 Ca -0.46 0.13 0.31 0.00 -0.39 0.00 0.00 57.03 56.63 1uil h ASP 53 Cb 1.21 0.43 -0.18 0.00 0.68 0.00 0.00 39.33 41.47 1uil h ASP 53 CO 0.57 -0.43 0.21 1.12 -1.61 0.00 0.00 179.24 179.10 1uil h HIS 54 N -0.56 0.26 -2.57 0.28 2.07 -1.99 -3.08 115.15 109.56 1uil h HIS 54 Ca 0.04 0.06 -0.59 0.00 -2.85 0.00 0.00 60.37 57.04 1uil h HIS 54 Cb 0.62 0.05 -0.39 0.00 2.57 0.00 0.00 27.41 30.26 1uil h HIS 54 CO -0.36 -0.42 -0.87 1.21 -3.07 0.00 0.00 177.93 174.43 1uil s ASN 55 N -4.88 2.64 0.43 3.10 2.47 -0.20 -5.12 114.94 113.38 1uil s ASN 55 Ca -0.12 -2.50 0.06 0.00 0.42 0.00 0.00 52.86 50.72 1uil s ASN 55 Cb 0.30 -0.49 -0.06 0.00 -1.45 0.00 0.00 41.25 39.55 1uil s ASN 55 CO 0.78 -0.26 0.08 0.00 -3.72 0.00 0.00 177.10 173.98 1uil s ARG 56 N 0.68 2.09 -0.21 0.43 1.70 0.72 -2.87 118.95 121.49 1uil s ARG 56 Ca 0.22 -2.05 -0.11 0.00 -0.47 0.00 0.00 55.73 53.32 1uil s ARG 56 Cb -0.15 -1.76 0.07 0.00 -0.57 0.00 0.00 34.95 32.53 1uil s ARG 56 CO -0.05 -0.13 0.50 -1.54 -1.08 0.00 0.00 175.30 173.00 1uil s SER 57 N -3.82 -0.64 -0.60 -2.89 1.04 -0.84 -4.97 113.70 100.98 1uil s SER 57 Ca 0.34 1.10 -0.25 0.00 0.48 0.00 0.00 55.95 57.61 1uil s SER 57 Cb 0.06 1.03 0.04 0.00 0.10 0.00 0.00 66.02 67.26 1uil s SER 57 CO 0.18 -0.21 1.04 -0.36 0.98 0.00 0.00 173.24 174.87 1uil s PHE 58 N 1.59 2.67 -0.45 5.02 0.08 -1.24 -1.27 117.98 124.39 1uil s PHE 58 Ca -0.09 0.01 -0.28 0.00 0.12 0.00 0.00 56.93 56.69 1uil s PHE 58 Cb -0.08 -4.27 -0.02 0.00 -0.57 0.00 0.00 43.02 38.08 1uil s PHE 58 CO -0.15 -1.53 1.80 0.42 -0.10 0.00 0.00 175.22 175.65 1uil s ILE 59 N 4.41 3.46 -0.43 0.64 1.01 0.52 -4.02 121.20 126.78 1uil s ILE 59 Ca 0.33 0.41 -0.22 0.00 0.00 0.00 0.00 60.65 61.16 1uil s ILE 59 Cb -0.11 -3.79 0.02 0.00 0.01 0.00 0.00 42.46 38.59 1uil s ILE 59 CO 0.19 -0.62 0.73 0.00 0.00 0.00 0.00 174.94 175.23 1uil s ALA 60 N 7.68 3.33 -0.04 9.38 0.00 -0.98 0.16 121.76 141.29 1uil s ALA 60 Ca 0.74 -1.04 0.05 0.00 0.00 0.00 0.00 51.96 51.71 1uil s ALA 60 Cb -0.18 -3.39 -0.02 0.00 0.00 0.00 0.00 23.12 19.53 1uil s ALA 60 CO 0.29 -1.81 -0.19 -1.83 0.00 0.00 0.00 175.76 172.21 1uil s GLU 61 N 3.08 2.40 -0.08 0.00 -1.05 0.14 -2.05 118.70 121.14 1uil s GLU 61 Ca 0.27 -0.80 -0.09 0.00 -0.15 0.00 0.00 54.97 54.20 1uil s GLU 61 Cb -0.13 -2.25 0.02 0.00 -0.44 0.00 0.00 34.13 31.34 1uil s GLU 61 CO 0.21 0.56 0.24 1.41 0.95 0.00 0.00 175.26 178.63 1uil s MET 62 N -0.60 0.33 0.01 -4.83 1.75 -0.63 -0.33 119.30 115.00 1uil s MET 62 Ca 0.09 0.24 0.05 0.00 -1.25 0.00 0.00 55.69 54.82 1uil s MET 62 Cb -0.11 0.16 -0.02 0.00 2.84 0.00 0.00 34.83 37.70 1uil s MET 62 CO 0.00 -0.05 -0.15 0.99 -0.65 0.00 0.00 175.02 175.16 1uil s THR 63 N -0.10 1.19 0.02 10.11 2.01 -1.26 0.04 115.64 127.65 1uil s THR 63 Ca -0.02 -0.79 -0.01 0.00 0.31 0.00 0.00 61.69 61.18 1uil s THR 63 Cb -0.02 -1.02 -0.02 0.00 0.01 0.00 0.00 72.50 71.45 1uil s THR 63 CO 0.01 0.22 -0.00 0.27 -0.69 0.00 0.00 174.62 174.42 1uil s ILE 64 N -0.54 0.12 -0.06 1.82 -4.36 0.15 -4.94 121.20 113.40 1uil s ILE 64 Ca 0.05 -1.01 0.05 0.00 -0.26 0.00 0.00 60.65 59.47 1uil s ILE 64 Cb -0.07 -0.48 -0.02 0.00 1.25 0.00 0.00 42.46 43.14 1uil s ILE 64 CO 0.00 -0.56 -0.19 -0.47 0.24 0.00 0.00 174.94 173.96 1uil s TYR 65 N -1.84 2.57 -0.25 1.37 6.14 -1.26 0.28 117.35 124.36 1uil s TYR 65 Ca -0.12 -0.43 -0.04 0.00 0.64 0.00 0.00 57.07 57.12 1uil s TYR 65 Cb -0.07 -1.62 0.01 0.00 0.42 0.00 0.00 41.96 40.70 1uil s TYR 65 CO -0.02 -0.02 -0.02 0.42 0.64 0.00 0.00 175.55 176.55 1uil s ILE 66 N -0.42 3.35 0.10 3.14 -1.09 0.26 -4.95 121.20 121.58 1uil s ILE 66 Ca 0.04 -0.72 -0.11 0.00 -2.23 0.00 0.00 60.65 57.64 1uil s ILE 66 Cb -0.12 -2.63 -0.21 0.00 -1.58 0.00 0.00 42.46 37.92 1uil s ILE 66 CO 0.02 0.26 1.24 0.07 -1.23 0.00 0.00 174.94 175.30 1uil h LYS 67 N 8.11 0.62 0.00 2.79 2.10 -1.95 0.34 116.57 128.57 1uil h LYS 67 Ca -0.36 -0.65 0.00 0.00 -2.00 0.00 0.00 60.65 57.64 1uil h LYS 67 Cb 1.13 0.18 0.00 0.00 -0.90 0.00 0.00 32.23 32.64 1uil h LYS 67 CO 0.59 1.25 0.00 -0.56 -2.00 0.00 0.00 179.45 178.73 1uil h GLN 68 N 0.35 0.00 0.00 0.07 3.07 -1.93 -2.24 115.11 114.43 1uil h GLN 68 Ca -0.11 0.00 -0.25 0.00 0.09 0.00 0.00 58.65 58.38 1uil h GLN 68 Cb 1.64 0.00 -0.05 0.00 0.08 0.00 0.00 27.48 29.15 1uil h GLN 68 CO 0.19 0.00 -1.96 1.28 0.09 0.00 0.00 178.83 178.42 1uil n LEU 69 N -2.35 2.41 0.00 0.06 4.77 -1.11 -5.01 117.00 115.76 1uil n LEU 69 Ca -0.01 -0.07 0.00 0.00 -0.03 0.00 0.00 56.01 55.90 1uil n LEU 69 Cb 0.08 -0.42 0.00 0.00 -2.33 0.00 0.00 43.42 40.75 1uil n LEU 69 CO 0.13 0.70 0.00 0.61 -1.33 0.00 0.00 177.39 177.50 1uil n GLY 70 N 2.58 0.87 0.68 -0.72 0.00 0.11 -5.05 105.19 103.67 1uil n GLY 70 Ca -0.29 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 45.69 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 -2.19 0.21 -3.92 1.61 1.85 -0.82 -5.00 116.66 108.40 1uil n ARG 71 Ca 0.00 -0.71 -0.10 0.00 -1.00 0.00 0.00 57.85 56.04 1uil n ARG 71 Cb 0.00 0.55 -0.10 0.00 -1.05 0.00 0.00 32.46 31.86 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 -2.29 0.42 0.08 2.89 1.70 -1.26 0.89 118.95 121.37 1uil s ARG 72 Ca 0.08 -0.52 0.07 0.00 -0.47 0.00 0.00 55.73 54.89 1uil s ARG 72 Cb 0.00 0.17 -0.04 0.00 -0.57 0.00 0.00 34.95 34.51 1uil s ARG 72 CO 0.05 -0.09 -0.14 0.96 -1.08 0.00 0.00 175.30 175.01 1uil s ILE 73 N -1.53 3.12 0.10 4.99 -4.36 0.14 -4.96 121.20 118.71 1uil s ILE 73 Ca -0.14 -1.25 0.07 0.00 -0.26 0.00 0.00 60.65 59.07 1uil s ILE 73 Cb -0.08 -2.41 -0.03 0.00 1.25 0.00 0.00 42.46 41.19 1uil s ILE 73 CO -0.00 0.20 -0.17 0.12 0.24 0.00 0.00 174.94 175.33 1uil s PHE 74 N -1.10 1.55 0.07 1.37 2.19 -1.26 -0.68 117.98 120.12 1uil s PHE 74 Ca 0.18 -0.46 0.01 0.00 0.33 0.00 0.00 56.93 56.99 1uil s PHE 74 Cb -0.11 -0.84 -0.04 0.00 -1.31 0.00 0.00 43.02 40.73 1uil s PHE 74 CO 0.10 0.16 -0.05 0.00 1.83 0.00 0.00 175.22 177.26 1uil s ALA 75 N -1.44 0.68 -0.36 11.12 0.00 0.11 -4.91 121.76 126.95 1uil s ALA 75 Ca 0.05 -1.14 -0.03 0.00 0.00 0.00 0.00 51.96 50.84 1uil s ALA 75 Cb -0.09 0.18 0.19 0.00 0.00 0.00 0.00 23.12 23.40 1uil s ALA 75 CO 0.04 -0.24 0.91 0.50 0.00 0.00 0.00 175.76 176.97 1uil s ARG 76 N -3.28 0.43 0.53 0.00 3.52 -1.26 -1.61 118.95 117.28 1uil s ARG 76 Ca 0.04 -0.19 0.08 0.00 -0.13 0.00 0.00 55.73 55.53 1uil s ARG 76 Cb 0.02 0.04 0.09 0.00 -1.56 0.00 0.00 34.95 33.54 1uil s ARG 76 CO -0.05 -0.60 0.73 0.39 -0.81 0.00 0.00 175.30 174.96 1uil n GLU 77 N 3.77 0.58 -3.15 5.12 -0.58 -0.87 -4.95 120.64 120.56 1uil n GLU 77 Ca 0.08 -2.74 -0.20 0.00 -0.42 0.00 0.00 57.16 53.88 1uil n GLU 77 Cb 0.61 -0.25 -0.04 0.00 -0.57 0.00 0.00 31.44 31.19 1uil n GLU 77 CO 0.00 0.00 0.00 0.72 -0.48 0.00 0.00 177.13 177.37 1uil n HIS 78 N -2.19 0.97 -0.04 -0.32 8.25 -1.26 -2.31 115.22 118.32 1uil n HIS 78 Ca 0.15 -3.84 0.00 0.00 -0.26 0.00 0.00 57.72 53.76 1uil n HIS 78 Cb 0.53 -0.43 0.00 0.00 1.12 0.00 0.00 29.99 31.21 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 0.26 -3.20 0.02 -1.41 0.00 -1.26 -4.86 105.19 94.75 1uil n GLY 79 Ca 0.26 -1.25 -0.02 0.00 0.00 0.00 0.00 46.02 45.01 1uil n GLY 79 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1uil n SER 80 N -0.96 0.41 -4.82 1.61 2.88 -1.26 -3.97 113.62 107.50 1uil n SER 80 Ca 0.00 0.16 -0.22 0.00 -1.33 0.00 0.00 58.87 57.48 1uil n SER 80 Cb 0.00 -0.56 -0.04 0.00 -0.75 0.00 0.00 64.21 62.86 1uil n SER 80 CO 0.00 0.00 0.00 0.20 -1.23 0.00 0.00 175.04 174.01 1uil s ASN 81 N -4.27 5.31 0.30 -3.46 0.01 -1.26 -3.62 114.94 107.95 1uil s ASN 81 Ca -0.05 -0.42 0.01 0.00 -0.71 0.00 0.00 52.86 51.68 1uil s ASN 81 Cb 0.01 -1.13 0.72 0.00 0.41 0.00 0.00 41.25 41.26 1uil s ASN 81 CO 0.08 -0.20 1.58 0.11 -1.51 0.00 0.00 177.10 177.15 1uil h LYS 82 N 1.40 0.02 0.00 -0.60 1.57 -1.96 0.76 116.57 117.77 1uil h LYS 82 Ca -0.46 -0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.32 1uil h LYS 82 Cb 1.25 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 33.55 1uil h LYS 82 CO 0.60 0.02 0.00 1.63 -0.57 0.00 0.00 179.45 181.12 1uil n LYS 83 N -5.47 0.00 0.00 3.15 5.02 -1.26 0.01 118.16 119.61 1uil n LYS 83 Ca 0.22 0.53 0.00 0.00 -2.02 0.00 0.00 58.31 57.04 1uil n LYS 83 Cb 0.73 -1.37 0.00 0.00 -0.02 0.00 0.00 35.03 34.37 1uil n LYS 83 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 1uil n LEU 84 N -1.88 0.00 -0.27 -0.35 7.99 -0.36 0.79 117.00 122.92 1uil n LEU 84 Ca 0.00 0.83 -0.05 0.00 -0.01 0.00 0.00 56.01 56.78 1uil n LEU 84 Cb 0.00 -0.33 -0.03 0.00 -0.11 0.00 0.00 43.42 42.95 1uil n LEU 84 CO 0.00 -0.33 0.34 0.00 -1.51 0.00 0.00 177.39 175.89 1uil n ALA 85 N -2.25 -0.30 0.09 -1.18 0.00 0.12 0.63 120.51 117.62 1uil n ALA 85 Ca 0.00 0.60 -0.11 0.00 0.00 0.00 0.00 53.44 53.92 1uil n ALA 85 Cb 0.00 -0.16 -0.07 0.00 0.00 0.00 0.00 19.45 19.22 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 0.54 -0.88 -0.39 0.00 0.00 0.15 0.68 119.26 119.35 1uil h ALA 86 Ca 0.15 -0.08 0.03 0.00 0.00 0.00 0.00 54.91 55.01 1uil h ALA 86 Cb 0.31 0.74 -0.05 0.00 0.00 0.00 0.00 17.79 18.80 1uil h ALA 86 CO -0.63 -0.97 -0.23 1.04 0.00 0.00 0.00 179.25 178.46 1uil n GLN 87 N -4.52 -0.17 -0.20 0.00 6.02 0.24 -0.13 117.38 118.62 1uil n GLN 87 Ca -0.06 1.12 -0.10 0.00 -0.01 0.00 0.00 57.00 57.96 1uil n GLN 87 Cb 0.29 -1.67 -0.05 0.00 1.02 0.00 0.00 30.24 29.83 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 -1.58 -0.72 1.08 0.02 -0.64 0.16 113.55 111.87 1uil h SER 88 Ca 0.06 0.25 0.11 0.00 -0.84 0.00 0.00 61.79 61.37 1uil h SER 88 Cb 0.16 0.70 -0.12 0.00 0.14 0.00 0.00 62.40 63.28 1uil h SER 88 CO -0.36 -0.35 -0.41 0.00 -1.14 0.00 0.00 176.83 174.57 1uil h ALA 90 N 0.89 -0.62 -1.65 0.00 0.00 0.21 0.20 119.26 118.29 1uil h ALA 90 Ca 0.23 -0.02 0.52 0.00 0.00 0.00 0.00 54.91 55.64 1uil h ALA 90 Cb 0.56 0.60 -0.11 0.00 0.00 0.00 0.00 17.79 18.84 1uil h ALA 90 CO -0.78 -0.66 1.14 -0.11 0.00 0.00 0.00 179.25 178.83 1uil n LEU 91 N -3.22 0.11 0.21 0.00 7.94 0.16 0.17 117.00 122.38 1uil n LEU 91 Ca -0.02 1.18 -0.15 0.00 -1.11 0.00 0.00 56.01 55.91 1uil n LEU 91 Cb 0.10 -0.58 -0.08 0.00 0.53 0.00 0.00 43.42 43.38 1uil n LEU 91 CO 0.03 -1.24 0.67 -1.28 -1.11 0.00 0.00 177.39 174.47 1uil h SER 92 N 0.00 -0.43 -0.37 1.96 0.87 0.26 0.36 113.55 116.20 1uil h SER 92 Ca 0.90 -0.05 -0.11 0.00 -1.23 0.00 0.00 61.79 61.30 1uil h SER 92 Cb 3.26 0.11 -0.01 0.00 -0.44 0.00 0.00 62.40 65.32 1uil h SER 92 CO -0.24 -0.21 -0.18 -0.07 -0.53 0.00 0.00 176.83 175.60 1uil h LEU 93 N -0.62 0.79 -0.27 2.23 -0.00 0.26 -2.37 115.31 115.33 1uil h LEU 93 Ca -0.05 -0.41 0.05 0.00 -0.00 0.00 0.00 57.88 57.47 1uil h LEU 93 Cb 0.46 -0.22 -0.05 0.00 -0.00 0.00 0.00 40.66 40.85 1uil h LEU 93 CO 0.08 1.03 -0.05 0.58 -0.00 0.00 0.00 178.44 180.08 1uil h VAL 94 N 0.56 0.74 -0.03 1.22 2.07 0.24 0.47 116.25 121.53 1uil h VAL 94 Ca 0.08 -0.01 0.03 0.00 0.82 0.00 0.00 66.70 67.63 1uil h VAL 94 Cb 0.73 0.72 -0.04 0.00 -1.52 0.00 0.00 31.29 31.18 1uil h VAL 94 CO 0.05 0.00 -0.21 0.03 0.02 0.00 0.00 177.57 177.47 1uil h ARG 95 N 0.02 -0.31 -0.43 1.57 3.08 -0.17 0.18 114.38 118.32 1uil h ARG 95 Ca 0.13 0.02 0.04 0.00 0.07 0.00 0.00 59.98 60.25 1uil h ARG 95 Cb 0.20 0.07 -0.04 0.00 0.08 0.00 0.00 29.97 30.27 1uil h ARG 95 CO -0.27 -0.21 0.19 1.96 -1.07 0.00 0.00 179.97 180.57 1uil h GLN 96 N -0.32 0.37 0.05 0.04 4.20 -0.86 0.89 115.11 119.48 1uil h GLN 96 Ca 0.07 -0.02 0.03 0.00 0.06 0.00 0.00 58.65 58.78 1uil h GLN 96 Cb 0.41 -0.08 -0.04 0.00 0.30 0.00 0.00 27.48 28.07 1uil h GLN 96 CO -0.21 0.24 -0.27 -0.07 -0.67 0.00 0.00 178.83 177.85 1uil h LEU 97 N 0.38 -0.78 0.41 1.46 3.38 0.57 0.12 115.31 120.85 1uil h LEU 97 Ca 0.19 0.10 -0.01 0.00 0.09 0.00 0.00 57.88 58.25 1uil h LEU 97 Cb 0.14 0.31 -0.03 0.00 0.09 0.00 0.00 40.66 41.18 1uil h LEU 97 CO -0.17 -0.35 -0.48 0.22 0.09 0.00 0.00 178.44 177.76 1uil h TYR 98 N -0.44 -1.35 -0.51 1.13 3.20 -0.17 0.52 116.97 119.34 1uil h TYR 98 Ca 0.05 0.01 0.06 0.00 3.14 0.00 0.00 58.73 61.99 1uil h TYR 98 Cb 0.50 0.53 -0.09 0.00 1.54 0.00 0.00 36.73 39.21 1uil h TYR 98 CO -0.27 -0.62 -0.55 1.12 -1.64 0.00 0.00 178.16 176.19 1uil h HIS 99 N -0.91 -1.70 -0.64 -3.82 2.07 -0.65 0.24 115.15 109.74 1uil h HIS 99 Ca -0.05 0.09 0.13 0.00 -2.85 0.00 0.00 60.37 57.69 1uil h HIS 99 Cb 0.81 0.81 -0.10 0.00 2.57 0.00 0.00 27.41 31.50 1uil h HIS 99 CO -0.28 -0.47 0.10 -0.07 -3.07 0.00 0.00 177.93 174.14 1uil h LEU 100 N -0.33 -0.09 0.00 6.12 3.38 -0.54 -3.46 115.31 120.39 1uil h LEU 100 Ca 0.10 0.14 0.00 0.00 0.09 0.00 0.00 57.88 58.20 1uil h LEU 100 Cb 0.57 0.21 0.00 0.00 0.09 0.00 0.00 40.66 41.53 1uil h LEU 100 CO -0.66 -0.05 0.00 0.61 0.09 0.00 0.00 178.44 178.43 1uil n GLY 101 N -1.34 0.96 0.07 0.83 0.00 0.11 -5.06 105.19 100.75 1uil n GLY 101 Ca 0.10 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.03 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 -4.03 1.61 0.31 0.14 -4.99 118.33 112.19 1uil n VAL 102 Ca 0.00 -0.33 -0.22 0.00 -0.01 0.00 0.00 64.34 63.78 1uil n VAL 102 Cb 0.00 -0.97 -0.01 0.00 -0.91 0.00 0.00 33.84 31.95 1uil n VAL 102 CO 0.00 0.00 0.00 2.30 -1.32 0.00 0.00 176.83 177.81 1uil n ILE 103 N -2.86 0.00 -3.93 2.52 -5.35 -1.24 -4.95 119.36 103.56 1uil n ILE 103 Ca -0.24 -1.74 -0.11 0.00 -0.27 0.00 0.00 62.75 60.39 1uil n ILE 103 Cb 0.78 0.01 -0.13 0.00 -1.74 0.00 0.00 39.64 38.57 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 -3.65 0.15 0.19 6.28 1.03 -1.26 -4.62 118.70 116.81 1uil s GLU 104 Ca 0.17 -0.29 -0.28 0.00 0.03 0.00 0.00 54.97 54.60 1uil s GLU 104 Cb -0.01 0.04 -0.17 0.00 -0.80 0.00 0.00 34.13 33.19 1uil s GLU 104 CO 0.11 -0.02 0.53 0.00 -1.33 0.00 0.00 175.26 174.55 1uil n ALA 105 N 2.38 -2.87 -1.18 -0.84 0.00 -1.26 -4.88 120.51 111.86 1uil n ALA 105 Ca -0.18 0.44 -0.30 0.00 0.00 0.00 0.00 53.44 53.40 1uil n ALA 105 Cb 0.58 -1.58 0.13 0.00 0.00 0.00 0.00 19.45 18.57 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 -0.93 2.34 -0.36 0.00 5.04 -1.26 -4.90 117.35 117.28 1uil s TYR 106 Ca 0.64 1.38 0.07 0.00 -2.44 0.00 0.00 57.07 56.71 1uil s TYR 106 Cb -0.92 -3.13 0.57 0.00 0.35 0.00 0.00 41.96 38.83 1uil s TYR 106 CO 0.55 -2.27 1.65 0.45 -1.34 0.00 0.00 175.55 174.59 1uil n SER 107 N -3.82 2.96 -4.26 4.32 2.88 -1.26 -4.36 113.62 110.09 1uil n SER 107 Ca 0.08 -3.72 -0.31 0.00 -1.33 0.00 0.00 58.87 53.58 1uil n SER 107 Cb 0.54 -0.72 0.19 0.00 -0.75 0.00 0.00 64.21 63.47 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 -1.13 -2.36 -4.59 -3.46 2.88 -1.26 -4.91 113.62 98.78 1uil n SER 108 Ca 0.44 -0.17 -0.25 0.00 -1.33 0.00 0.00 58.87 57.56 1uil n SER 108 Cb 1.29 -0.98 -0.09 0.00 -0.75 0.00 0.00 64.21 63.68 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 -1.93 2.12 -1.15 0.46 0.00 -1.26 -4.65 107.32 100.90 1uil s GLY 109 Ca 0.57 -2.01 -0.07 0.00 0.00 0.00 0.00 44.72 43.21 1uil s GLY 109 CO 0.65 -1.96 2.50 -1.55 0.00 0.00 0.00 173.10 172.74 1uil n PRO 110 N -0.88 2.71 -3.19 2.90 -0.04 -1.26 -4.58 135.00 130.65 1uil n PRO 110 Ca -0.05 -1.72 0.04 0.00 -0.04 0.00 0.00 63.50 61.74 1uil n PRO 110 Cb 0.63 -2.56 -0.02 0.00 -0.04 0.00 0.00 33.50 31.51 1uil n PRO 110 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1uil s SER 111 N 2.84 -0.57 -0.13 3.54 0.15 -1.26 -5.07 113.70 113.20 1uil s SER 111 Ca 0.52 0.44 -0.07 0.00 0.70 0.00 0.00 55.95 57.53 1uil s SER 111 Cb 0.14 1.51 -0.02 0.00 -1.71 0.00 0.00 66.02 65.94 1uil s SER 111 CO -0.04 -0.11 -0.15 -1.28 1.20 0.00 0.00 173.24 172.87 1uil h SER 112 N 7.88 0.00 0.00 5.45 0.87 -2.05 -3.53 113.55 122.17 1uil h SER 112 Ca -0.15 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.41 1uil h SER 112 Cb 1.16 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.12 1uil h SER 112 CO -0.02 0.69 0.00 0.61 -0.53 0.00 0.00 176.83 177.58