#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 -0.10 0.05 1.61 0.01 -1.26 -5.18 113.70 108.84 1uil s SER 2 Ca 0.00 0.12 -0.10 0.00 1.31 0.00 0.00 55.95 57.28 1uil s SER 2 Cb 0.00 1.10 0.00 0.00 0.21 0.00 0.00 66.02 67.34 1uil s SER 2 CO 0.00 -0.02 0.21 -0.94 0.41 0.00 0.00 173.24 172.90 1uil s SER 3 N 2.23 0.03 0.22 2.44 1.04 -1.26 -5.18 113.70 113.22 1uil s SER 3 Ca -0.01 -0.41 -0.17 0.00 0.48 0.00 0.00 55.95 55.83 1uil s SER 3 Cb -0.02 0.31 0.02 0.00 0.10 0.00 0.00 66.02 66.43 1uil s SER 3 CO -0.15 -0.61 0.54 -0.83 0.98 0.00 0.00 173.24 173.18 1uil s GLY 4 N -2.27 0.03 0.04 7.32 0.00 -1.26 -5.17 107.32 106.01 1uil s GLY 4 Ca -0.03 -0.37 0.08 0.00 0.00 0.00 0.00 44.72 44.41 1uil s GLY 4 CO -0.06 -0.31 -0.23 -0.56 0.00 0.00 0.00 173.10 171.94 1uil s SER 5 N -2.91 2.74 0.20 1.64 0.01 -1.26 -4.96 113.70 109.16 1uil s SER 5 Ca 0.12 -0.55 0.00 0.00 1.31 0.00 0.00 55.95 56.83 1uil s SER 5 Cb -0.02 -0.24 0.00 0.00 0.21 0.00 0.00 66.02 65.98 1uil s SER 5 CO 0.01 0.20 0.00 -1.54 0.41 0.00 0.00 173.24 172.32 1uil n SER 6 N 1.82 -1.80 0.00 2.44 3.41 -1.26 -5.15 113.62 113.08 1uil n SER 6 Ca -0.17 0.47 0.00 0.00 -0.26 0.00 0.00 58.87 58.91 1uil n SER 6 Cb 0.53 1.90 0.00 0.00 -0.26 0.00 0.00 64.21 66.37 1uil n SER 6 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1uil n GLY 7 N -1.35 3.71 3.28 5.00 0.00 -1.26 -5.09 105.19 109.48 1uil n GLY 7 Ca 0.00 -0.50 0.03 0.00 0.00 0.00 0.00 46.02 45.55 1uil n GLY 7 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1uil s LEU 8 N 0.00 -0.92 0.00 0.99 2.96 -1.26 -5.01 118.68 115.44 1uil s LEU 8 Ca 0.00 0.80 0.01 0.00 -0.22 0.00 0.00 54.13 54.72 1uil s LEU 8 Cb 0.00 1.86 -0.01 0.00 0.50 0.00 0.00 46.19 48.54 1uil s LEU 8 CO 0.00 -0.17 0.16 1.21 -1.32 0.00 0.00 176.35 176.22 1uil n GLU 9 N 5.35 4.97 -0.92 1.98 2.13 -1.26 -4.97 120.64 127.91 1uil n GLU 9 Ca -0.06 -0.13 0.00 0.00 0.66 0.00 0.00 57.16 57.63 1uil n GLU 9 Cb 0.52 -0.66 0.00 0.00 0.27 0.00 0.00 31.44 31.57 1uil n GLU 9 CO 0.00 0.00 0.00 0.45 -0.41 0.00 0.00 177.13 177.17 1uil n SER 10 N -0.78 -4.15 -2.89 4.31 2.88 -1.26 -4.78 113.62 106.95 1uil n SER 10 Ca 0.00 0.00 -0.12 0.00 -1.33 0.00 0.00 58.87 57.42 1uil n SER 10 Cb 0.02 -2.55 0.02 0.00 -0.75 0.00 0.00 64.21 60.96 1uil n SER 10 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 1uil n GLU 11 N -0.44 1.06 -3.73 -1.46 1.02 -1.26 -5.03 120.64 110.80 1uil n GLU 11 Ca 0.00 -2.94 -0.29 0.00 -0.02 0.00 0.00 57.16 53.91 1uil n GLU 11 Cb 0.29 -1.26 -0.13 0.00 -0.02 0.00 0.00 31.44 30.32 1uil n GLU 11 CO 0.00 0.00 0.00 -2.00 1.18 0.00 0.00 177.13 176.31 1uil s GLU 12 N -1.93 1.35 0.02 3.49 2.56 -1.26 -5.09 118.70 117.84 1uil s GLU 12 Ca 0.31 -2.08 0.07 0.00 0.00 0.00 0.00 54.97 53.27 1uil s GLU 12 Cb 0.38 -2.41 -0.02 0.00 2.00 0.00 0.00 34.13 34.08 1uil s GLU 12 CO -0.04 -1.16 -0.20 0.08 -0.56 0.00 0.00 175.26 173.38 1uil s VAL 13 N 0.27 1.61 0.65 3.70 1.01 -1.26 -4.91 120.40 121.47 1uil s VAL 13 Ca 0.18 -1.06 -0.01 0.00 0.00 0.00 0.00 61.98 61.08 1uil s VAL 13 Cb -0.23 -1.38 0.08 0.00 0.00 0.00 0.00 36.38 34.85 1uil s VAL 13 CO -0.00 0.28 0.92 -1.81 0.00 0.00 0.00 175.10 174.48 1uil s ASP 14 N -0.92 4.76 0.00 3.32 1.01 -1.26 -5.05 116.67 118.53 1uil s ASP 14 Ca 0.07 -0.08 0.00 0.00 0.71 0.00 0.00 52.55 53.25 1uil s ASP 14 Cb -0.08 -0.53 0.00 0.00 1.01 0.00 0.00 42.92 43.31 1uil s ASP 14 CO 0.01 -1.55 0.00 -0.11 0.21 0.00 0.00 175.17 173.73 1uil n LEU 15 N -2.67 0.21 -0.06 1.23 -0.00 -1.26 -4.44 117.00 110.01 1uil n LEU 15 Ca 0.11 0.04 -0.22 0.00 -0.00 0.00 0.00 56.01 55.94 1uil n LEU 15 Cb 0.60 -0.25 -0.12 0.00 -0.00 0.00 0.00 43.42 43.64 1uil n LEU 15 CO 0.45 -0.25 -0.65 -0.46 -0.00 0.00 0.00 177.39 176.48 1uil n ASN 16 N -1.90 1.97 0.32 1.96 0.23 -1.26 -3.55 115.26 113.03 1uil n ASN 16 Ca 0.00 0.34 0.18 0.00 -0.53 0.00 0.00 54.58 54.56 1uil n ASN 16 Cb 0.00 -0.93 0.92 0.00 -2.08 0.00 0.00 39.78 37.69 1uil n ASN 16 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1uil h ALA 17 N -0.28 1.32 0.14 -2.53 0.00 -1.91 0.10 119.26 116.10 1uil h ALA 17 Ca -0.39 -0.00 -0.18 0.00 0.00 0.00 0.00 54.91 54.34 1uil h ALA 17 Cb 1.60 0.00 0.02 0.00 0.00 0.00 0.00 17.79 19.41 1uil h ALA 17 CO -0.10 -0.26 -0.79 0.78 0.00 0.00 0.00 179.25 178.88 1uil h GLY 18 N 0.00 0.34 0.86 0.00 0.00 -1.78 -3.09 103.07 99.40 1uil h GLY 18 Ca 0.02 -0.86 -0.01 0.00 0.00 0.00 0.00 47.33 46.48 1uil h GLY 18 CO -0.00 0.75 -0.12 1.41 0.00 0.00 0.00 176.54 178.58 1uil h LEU 19 N -0.38 -0.28 -0.13 3.11 3.38 -0.91 -3.23 115.31 116.86 1uil h LEU 19 Ca -0.14 -0.09 0.02 0.00 0.09 0.00 0.00 57.88 57.75 1uil h LEU 19 Cb 1.62 0.07 -0.03 0.00 0.09 0.00 0.00 40.66 42.42 1uil h LEU 19 CO 0.15 -0.08 -0.18 0.45 0.09 0.00 0.00 178.44 178.87 1uil h HIS 20 N -0.48 -0.54 0.00 1.13 3.86 -1.28 -3.48 115.15 114.36 1uil h HIS 20 Ca -0.03 0.03 0.00 0.00 -1.16 0.00 0.00 60.37 59.20 1uil h HIS 20 Cb 0.36 0.25 0.00 0.00 1.06 0.00 0.00 27.41 29.08 1uil h HIS 20 CO -0.02 -0.15 0.00 0.41 0.86 0.00 0.00 177.93 179.03 1uil n GLY 21 N -1.12 2.87 2.39 2.45 0.00 -1.17 -4.99 105.19 105.62 1uil n GLY 21 Ca -0.01 -0.40 -0.27 0.00 0.00 0.00 0.00 46.02 45.34 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 6.58 -4.81 1.61 3.02 -1.24 -4.92 115.26 115.49 1uil n ASN 22 Ca 0.00 -3.03 -0.37 0.00 -0.03 0.00 0.00 54.58 51.15 1uil n ASN 22 Cb 0.00 -1.30 -0.06 0.00 -0.61 0.00 0.00 39.78 37.81 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 -0.94 3.72 0.14 3.10 0.23 -1.26 -4.28 118.94 119.66 1uil s TRP 23 Ca 0.60 1.35 0.08 0.00 -2.03 0.00 0.00 56.10 56.10 1uil s TRP 23 Cb 0.33 -2.57 -0.04 0.00 0.03 0.00 0.00 33.47 31.22 1uil s TRP 23 CO -0.15 0.44 -0.17 0.95 0.96 0.00 0.00 176.95 178.98 1uil s THR 24 N -1.35 1.65 0.28 2.01 -4.23 -1.26 -5.01 115.64 107.74 1uil s THR 24 Ca 0.37 -1.81 -0.03 0.00 -1.18 0.00 0.00 61.69 59.04 1uil s THR 24 Cb -0.18 -1.71 0.24 0.00 1.34 0.00 0.00 72.50 72.19 1uil s THR 24 CO 0.21 -0.32 1.93 -0.07 -0.54 0.00 0.00 174.62 175.83 1uil h LEU 25 N 3.43 0.98 0.04 4.79 3.38 -1.97 0.71 115.31 126.66 1uil h LEU 25 Ca -0.42 -0.05 -0.00 0.00 0.09 0.00 0.00 57.88 57.50 1uil h LEU 25 Cb 1.20 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 41.70 1uil h LEU 25 CO 0.49 0.75 -0.02 -0.33 0.09 0.00 0.00 178.44 179.42 1uil h GLU 26 N 1.13 -0.05 -0.38 1.13 5.08 -1.95 -2.42 114.58 117.11 1uil h GLU 26 Ca 0.29 0.00 0.08 0.00 -1.00 0.00 0.00 59.36 58.74 1uil h GLU 26 Cb -0.05 0.01 -0.07 0.00 0.50 0.00 0.00 28.75 29.14 1uil h GLU 26 CO -0.06 -0.04 -0.09 -2.95 -1.00 0.00 0.00 179.01 174.88 1uil h ASN 27 N -0.06 -0.35 -0.91 1.42 -1.07 -1.97 -0.85 115.58 111.78 1uil h ASN 27 Ca -0.01 0.11 0.17 0.00 0.07 0.00 0.00 56.30 56.64 1uil h ASN 27 Cb 0.04 0.23 -0.16 0.00 -2.07 0.00 0.00 38.32 36.36 1uil h ASN 27 CO 0.01 -0.12 -0.28 0.00 0.07 0.00 0.00 177.43 177.11 1uil n ALA 28 N -2.67 0.09 0.24 4.14 0.00 0.25 0.17 120.51 122.73 1uil n ALA 28 Ca 0.02 0.97 -0.10 0.00 0.00 0.00 0.00 53.44 54.33 1uil n ALA 28 Cb 0.21 -0.53 -0.05 0.00 0.00 0.00 0.00 19.45 19.09 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 -0.61 -0.04 0.00 3.64 -0.64 -0.28 116.57 118.64 1uil h LYS 29 Ca 0.39 0.04 0.01 0.00 -1.27 0.00 0.00 60.65 59.82 1uil h LYS 29 Cb 0.62 0.14 -0.01 0.00 -0.41 0.00 0.00 32.23 32.57 1uil h LYS 29 CO -0.93 -0.41 -0.07 0.00 -2.27 0.00 0.00 179.45 175.77 1uil h ALA 30 N -1.65 -0.41 -0.78 5.00 0.00 -0.27 -1.37 119.26 119.77 1uil h ALA 30 Ca -0.06 -0.00 0.11 0.00 0.00 0.00 0.00 54.91 54.95 1uil h ALA 30 Cb 0.49 0.71 -0.12 0.00 0.00 0.00 0.00 17.79 18.88 1uil h ALA 30 CO 0.09 -0.44 -0.35 -2.13 0.00 0.00 0.00 179.25 176.42 1uil n ARG 31 N -3.03 -0.23 -0.25 0.00 3.00 0.45 0.19 116.66 116.79 1uil n ARG 31 Ca -0.01 1.19 -0.00 0.00 -0.00 0.00 0.00 57.85 59.03 1uil n ARG 31 Cb 0.05 -1.76 0.06 0.00 0.00 0.00 0.00 32.46 30.81 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 -0.89 -1.28 6.15 5.85 -0.01 1.41 115.31 126.54 1uil h LEU 32 Ca 0.23 0.23 -0.03 0.00 0.84 0.00 0.00 57.88 59.15 1uil h LEU 32 Cb 0.42 0.52 -0.02 0.00 0.37 0.00 0.00 40.66 41.95 1uil h LEU 32 CO -0.76 -0.27 0.14 0.78 -0.34 0.00 0.00 178.44 177.99 1uil h ASN 33 N -0.05 0.58 0.18 1.25 2.35 0.30 -1.07 115.58 119.12 1uil h ASN 33 Ca 0.33 -0.07 -0.08 0.00 -0.55 0.00 0.00 56.30 55.92 1uil h ASN 33 Cb 0.56 -0.15 -0.01 0.00 0.05 0.00 0.00 38.32 38.77 1uil h ASN 33 CO -0.77 0.55 -0.30 1.56 -1.65 0.00 0.00 177.43 176.82 1uil h GLN 34 N 0.63 0.20 0.00 0.81 1.08 0.50 -0.41 115.11 117.92 1uil h GLN 34 Ca 0.15 -0.07 -0.14 0.00 -1.45 0.00 0.00 58.65 57.13 1uil h GLN 34 Cb 0.18 -0.01 -0.02 0.00 -0.05 0.00 0.00 27.48 27.58 1uil h GLN 34 CO -0.01 0.49 -0.69 -0.92 -0.95 0.00 0.00 178.83 176.76 1uil h TYR 35 N 0.18 0.00 0.00 2.96 3.20 0.17 0.10 116.97 123.59 1uil h TYR 35 Ca 0.03 0.00 -0.10 0.00 3.14 0.00 0.00 58.73 61.79 1uil h TYR 35 Cb 0.63 0.00 -0.02 0.00 1.54 0.00 0.00 36.73 38.89 1uil h TYR 35 CO 0.01 0.69 -0.66 0.74 -1.64 0.00 0.00 178.16 177.29 1uil h PHE 36 N 0.00 0.00 0.10 -3.82 0.04 -0.83 -2.42 116.94 110.00 1uil h PHE 36 Ca -0.01 0.00 -0.32 0.00 2.80 0.00 0.00 57.97 60.44 1uil h PHE 36 Cb 1.24 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 39.37 1uil h PHE 36 CO 0.00 0.45 -1.73 -0.56 -0.60 0.00 0.00 178.31 175.87 1uil h GLN 37 N 0.00 0.21 0.43 1.51 3.07 -0.98 1.08 115.11 120.43 1uil h GLN 37 Ca -0.03 -0.35 -0.02 0.00 0.09 0.00 0.00 58.65 58.33 1uil h GLN 37 Cb 1.38 0.13 0.00 0.00 0.08 0.00 0.00 27.48 29.07 1uil h GLN 37 CO 0.05 1.02 -0.20 0.87 0.09 0.00 0.00 178.83 180.66 1uil h LYS 38 N 0.06 -0.55 0.00 0.06 1.79 -0.88 -3.06 116.57 113.98 1uil h LYS 38 Ca -0.32 0.04 0.00 0.00 -2.18 0.00 0.00 60.65 58.19 1uil h LYS 38 Cb 2.03 0.13 0.00 0.00 -1.58 0.00 0.00 32.23 32.80 1uil h LYS 38 CO 0.12 -0.29 0.00 0.39 -1.08 0.00 0.00 179.45 178.59 1uil n GLU 39 N -5.17 0.04 -1.62 3.15 -0.58 -0.91 -4.84 120.64 110.72 1uil n GLU 39 Ca -0.08 0.28 -0.07 0.00 -0.42 0.00 0.00 57.16 56.86 1uil n GLU 39 Cb 0.27 -1.58 -0.02 0.00 -0.57 0.00 0.00 31.44 29.54 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 -1.65 -0.54 -2.13 3.49 4.76 -0.92 -5.01 118.16 116.15 1uil n LYS 40 Ca 0.03 0.58 -0.28 0.00 -2.87 0.00 0.00 58.31 55.77 1uil n LYS 40 Cb 0.19 -4.43 0.05 0.00 -1.84 0.00 0.00 35.03 28.99 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 -2.31 3.33 -0.05 -0.18 1.01 0.37 -4.93 121.20 118.43 1uil s ILE 41 Ca 0.00 0.17 0.02 0.00 0.00 0.00 0.00 60.65 60.84 1uil s ILE 41 Cb 0.00 -3.38 0.01 0.00 0.01 0.00 0.00 42.46 39.10 1uil s ILE 41 CO 0.00 -0.45 -0.11 -1.10 0.00 0.00 0.00 174.94 173.28 1uil s GLN 42 N -5.21 1.40 -0.28 2.79 -1.52 -1.26 -4.34 119.66 111.24 1uil s GLN 42 Ca 0.57 -0.36 -0.19 0.00 -1.95 0.00 0.00 55.36 53.43 1uil s GLN 42 Cb -0.11 -1.21 0.10 0.00 -0.22 0.00 0.00 33.01 31.57 1uil s GLN 42 CO 0.48 0.05 0.81 0.20 -0.25 0.00 0.00 175.29 176.58 1uil s GLY 43 N 0.52 -0.40 0.38 3.09 0.00 -1.26 -5.04 107.32 104.61 1uil s GLY 43 Ca -0.10 2.57 0.07 0.00 0.00 0.00 0.00 44.72 47.26 1uil s GLY 43 CO 0.02 2.28 -0.01 -0.54 0.00 0.00 0.00 173.10 174.85 1uil s GLU 44 N 1.19 1.88 -0.17 2.90 2.02 -1.26 -5.08 118.70 120.19 1uil s GLU 44 Ca -0.07 -2.04 -0.07 0.00 0.02 0.00 0.00 54.97 52.81 1uil s GLU 44 Cb -0.05 -1.57 -0.04 0.00 0.10 0.00 0.00 34.13 32.57 1uil s GLU 44 CO -0.14 -0.02 0.08 0.71 0.02 0.00 0.00 175.26 175.92 1uil s TYR 45 N -2.75 3.31 -0.43 1.61 1.51 -1.26 -4.62 117.35 114.72 1uil s TYR 45 Ca 0.34 0.19 -0.13 0.00 -1.01 0.00 0.00 57.07 56.46 1uil s TYR 45 Cb 0.08 -2.05 0.05 0.00 -0.11 0.00 0.00 41.96 39.93 1uil s TYR 45 CO 0.17 0.28 0.31 0.21 -1.11 0.00 0.00 175.55 175.41 1uil s LYS 46 N 0.07 2.88 -0.18 -0.62 2.47 0.53 -4.91 119.74 119.99 1uil s LYS 46 Ca 0.06 -1.23 -0.19 0.00 -1.56 0.00 0.00 55.97 53.05 1uil s LYS 46 Cb -0.12 -3.95 -0.03 0.00 -1.46 0.00 0.00 37.83 32.27 1uil s LYS 46 CO 0.00 -0.87 0.54 0.71 0.16 0.00 0.00 175.35 175.89 1uil s TYR 47 N 1.59 3.41 -0.26 4.03 2.02 -1.25 -0.10 117.35 126.80 1uil s TYR 47 Ca 0.04 0.85 -0.03 0.00 -0.37 0.00 0.00 57.07 57.56 1uil s TYR 47 Cb -0.22 -2.68 0.02 0.00 -0.40 0.00 0.00 41.96 38.69 1uil s TYR 47 CO 0.07 -0.05 -0.03 0.99 -1.57 0.00 0.00 175.55 174.95 1uil s THR 48 N 1.45 3.09 -0.25 -0.71 2.01 0.12 -4.81 115.64 116.54 1uil s THR 48 Ca 0.26 -0.96 -0.25 0.00 0.31 0.00 0.00 61.69 61.06 1uil s THR 48 Cb -0.16 -2.57 -0.00 0.00 0.01 0.00 0.00 72.50 69.78 1uil s THR 48 CO 0.10 0.18 0.83 -1.58 -0.69 0.00 0.00 174.62 173.46 1uil s GLN 49 N 1.36 4.16 0.46 4.92 0.74 -1.26 0.20 119.66 130.23 1uil s GLN 49 Ca 0.01 0.91 0.00 0.00 0.05 0.00 0.00 55.36 56.33 1uil s GLN 49 Cb -0.17 -3.66 0.00 0.00 1.10 0.00 0.00 33.01 30.29 1uil s GLN 49 CO -0.03 -0.54 0.03 1.33 -0.55 0.00 0.00 175.29 175.52 1uil n VAL 50 N 5.30 0.00 -0.98 1.34 0.24 -1.03 -4.97 118.33 118.23 1uil n VAL 50 Ca 0.05 -2.12 0.12 0.00 -2.04 0.00 0.00 64.34 60.35 1uil n VAL 50 Cb 0.48 0.39 -0.03 0.00 -1.47 0.00 0.00 33.84 33.20 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 -0.44 -1.19 3.81 7.63 0.00 -1.26 -3.10 105.19 110.65 1uil n GLY 51 Ca -0.18 -0.72 -0.32 0.00 0.00 0.00 0.00 46.02 44.80 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 -1.74 3.26 0.17 1.61 0.04 -1.19 -4.70 135.00 132.45 1uil s PRO 52 Ca 0.00 1.10 -0.15 0.00 0.04 0.00 0.00 61.00 61.99 1uil s PRO 52 Cb 0.00 -2.03 0.12 0.00 0.04 0.00 0.00 34.50 32.63 1uil s PRO 52 CO 0.00 -0.85 1.72 -0.44 0.04 0.00 0.00 177.00 177.47 1uil h ASP 53 N 0.12 -0.03 -0.79 6.66 5.19 -1.97 0.32 116.42 125.92 1uil h ASP 53 Ca -0.46 0.08 0.18 0.00 -0.62 0.00 0.00 57.03 56.21 1uil h ASP 53 Cb 1.21 0.11 -0.12 0.00 0.18 0.00 0.00 39.33 40.71 1uil h ASP 53 CO 0.58 0.02 0.16 1.12 -3.12 0.00 0.00 179.24 178.00 1uil h HIS 54 N 0.19 0.24 -2.49 4.55 2.07 -1.98 -3.25 115.15 114.47 1uil h HIS 54 Ca 0.20 0.05 -0.59 0.00 -2.85 0.00 0.00 60.37 57.18 1uil h HIS 54 Cb 0.25 0.02 -0.39 0.00 2.57 0.00 0.00 27.41 29.86 1uil h HIS 54 CO -0.22 -0.15 -0.91 1.21 -3.07 0.00 0.00 177.93 174.80 1uil s ASN 55 N -5.19 2.22 0.40 3.10 3.84 -0.27 -5.12 114.94 113.92 1uil s ASN 55 Ca -0.13 -2.69 0.00 0.00 0.21 0.00 0.00 52.86 50.25 1uil s ASN 55 Cb 0.23 -0.46 0.00 0.00 -0.55 0.00 0.00 41.25 40.47 1uil s ASN 55 CO 0.76 -0.23 0.03 -2.11 -2.79 0.00 0.00 177.10 172.76 1uil n ARG 56 N 3.36 1.04 -3.64 0.43 1.85 0.97 -3.14 116.66 117.52 1uil n ARG 56 Ca 0.21 -2.84 -0.02 0.00 -1.00 0.00 0.00 57.85 54.20 1uil n ARG 56 Cb 0.43 0.72 -0.04 0.00 -1.05 0.00 0.00 32.46 32.51 1uil n ARG 56 CO 0.00 0.00 0.00 -1.12 -0.01 0.00 0.00 177.63 176.50 1uil s SER 57 N -3.18 -1.11 -0.44 2.89 0.01 -1.18 -4.98 113.70 105.71 1uil s SER 57 Ca 0.02 1.56 -0.28 0.00 1.31 0.00 0.00 55.95 58.55 1uil s SER 57 Cb -0.00 2.18 0.03 0.00 0.21 0.00 0.00 66.02 68.43 1uil s SER 57 CO 0.01 -0.22 1.09 -0.36 0.41 0.00 0.00 173.24 174.18 1uil s PHE 58 N 2.73 2.91 -0.66 2.43 0.08 -1.25 -2.47 117.98 121.74 1uil s PHE 58 Ca -0.06 0.78 -0.27 0.00 0.12 0.00 0.00 56.93 57.50 1uil s PHE 58 Cb -0.11 -4.20 0.03 0.00 -0.57 0.00 0.00 43.02 38.18 1uil s PHE 58 CO -0.19 -1.13 1.19 0.42 -0.10 0.00 0.00 175.22 175.41 1uil s ILE 59 N 4.17 3.93 -0.46 0.64 1.01 0.54 -3.78 121.20 127.26 1uil s ILE 59 Ca 0.46 0.50 -0.24 0.00 0.00 0.00 0.00 60.65 61.36 1uil s ILE 59 Cb -0.09 -4.80 0.03 0.00 0.01 0.00 0.00 42.46 37.61 1uil s ILE 59 CO 0.27 -1.59 0.87 0.00 0.00 0.00 0.00 174.94 174.50 1uil s ALA 60 N 5.18 3.25 -0.05 9.38 0.00 -0.42 0.12 121.76 139.22 1uil s ALA 60 Ca 0.36 -0.89 0.05 0.00 0.00 0.00 0.00 51.96 51.49 1uil s ALA 60 Cb -0.09 -3.58 -0.02 0.00 0.00 0.00 0.00 23.12 19.43 1uil s ALA 60 CO 0.18 -2.02 -0.21 -1.83 0.00 0.00 0.00 175.76 171.89 1uil s GLU 61 N 3.58 2.43 -0.02 0.00 -1.05 0.86 -2.26 118.70 122.24 1uil s GLU 61 Ca 0.34 -0.82 -0.02 0.00 -0.15 0.00 0.00 54.97 54.31 1uil s GLU 61 Cb -0.11 -2.23 0.00 0.00 -0.44 0.00 0.00 34.13 31.35 1uil s GLU 61 CO 0.25 0.52 0.06 1.41 0.95 0.00 0.00 175.26 178.45 1uil s MET 62 N -0.50 0.14 0.03 -4.83 1.75 -0.23 -0.34 119.30 115.32 1uil s MET 62 Ca 0.06 -0.05 0.05 0.00 -1.25 0.00 0.00 55.69 54.50 1uil s MET 62 Cb -0.11 0.06 -0.02 0.00 2.84 0.00 0.00 34.83 37.60 1uil s MET 62 CO 0.01 -0.02 -0.14 0.99 -0.65 0.00 0.00 175.02 175.20 1uil s THR 63 N -0.30 1.12 0.03 10.11 2.01 -1.26 0.24 115.64 127.58 1uil s THR 63 Ca -0.03 -0.90 -0.06 0.00 0.31 0.00 0.00 61.69 61.00 1uil s THR 63 Cb -0.02 -0.99 -0.01 0.00 0.01 0.00 0.00 72.50 71.49 1uil s THR 63 CO 0.00 0.08 0.12 0.27 -0.69 0.00 0.00 174.62 174.40 1uil s ILE 64 N -0.72 0.12 -0.06 1.82 -4.36 -0.18 -4.87 121.20 112.95 1uil s ILE 64 Ca 0.03 -0.95 0.05 0.00 -0.26 0.00 0.00 60.65 59.52 1uil s ILE 64 Cb -0.07 -0.74 -0.02 0.00 1.25 0.00 0.00 42.46 42.88 1uil s ILE 64 CO 0.01 -0.52 -0.21 -0.47 0.24 0.00 0.00 174.94 173.98 1uil s TYR 65 N -2.22 2.52 -0.27 1.37 6.14 -1.26 0.36 117.35 123.99 1uil s TYR 65 Ca -0.08 -0.52 -0.04 0.00 0.64 0.00 0.00 57.07 57.07 1uil s TYR 65 Cb -0.03 -1.61 0.02 0.00 0.42 0.00 0.00 41.96 40.76 1uil s TYR 65 CO -0.03 -0.08 0.00 0.42 0.64 0.00 0.00 175.55 176.50 1uil s ILE 66 N -0.33 3.31 0.12 3.14 -1.09 0.27 -4.95 121.20 121.67 1uil s ILE 66 Ca 0.02 -0.94 -0.11 0.00 -2.23 0.00 0.00 60.65 57.39 1uil s ILE 66 Cb -0.12 -2.72 -0.13 0.00 -1.58 0.00 0.00 42.46 37.90 1uil s ILE 66 CO 0.02 0.12 1.35 0.07 -1.23 0.00 0.00 174.94 175.26 1uil h LYS 67 N 8.10 0.75 0.00 2.79 -0.00 -1.95 0.45 116.57 126.72 1uil h LYS 67 Ca -0.31 -0.59 0.00 0.00 -0.00 0.00 0.00 60.65 59.76 1uil h LYS 67 Cb 1.11 0.11 0.00 0.00 -0.00 0.00 0.00 32.23 33.45 1uil h LYS 67 CO 0.58 1.20 0.00 0.00 -0.00 0.00 0.00 179.45 181.23 1uil n GLN 68 N -3.94 0.14 -0.08 0.07 10.64 -1.26 -1.94 117.38 121.01 1uil n GLN 68 Ca -0.06 0.59 -0.11 0.00 -1.83 0.00 0.00 57.00 55.59 1uil n GLN 68 Cb 0.72 -1.92 -0.08 0.00 -0.86 0.00 0.00 30.24 28.10 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 -2.21 2.43 0.00 2.61 4.77 -1.03 -5.01 117.00 118.56 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 0.07 -0.41 0.00 0.00 -2.33 0.00 0.00 43.42 40.75 1uil n LEU 69 CO 0.11 0.69 0.00 0.61 -1.33 0.00 0.00 177.39 177.47 1uil n GLY 70 N 2.62 0.86 0.88 -0.72 0.00 0.15 -5.05 105.19 103.93 1uil n GLY 70 Ca -0.28 0.00 -0.05 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 -2.17 0.18 -3.93 1.61 -4.01 -0.86 -5.00 116.66 102.48 1uil n ARG 71 Ca 0.00 -0.92 -0.10 0.00 -1.04 0.00 0.00 57.85 55.79 1uil n ARG 71 Cb 0.00 0.73 -0.11 0.00 -3.04 0.00 0.00 32.46 30.04 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 -2.38 0.31 0.25 2.89 1.70 -1.26 0.93 118.95 121.40 1uil s ARG 72 Ca 0.10 -0.43 0.08 0.00 -0.47 0.00 0.00 55.73 55.01 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 0.07 -0.06 0.12 0.96 -1.08 0.00 0.00 175.30 175.31 1uil s ILE 73 N -1.18 4.09 0.03 4.99 -4.36 0.16 -4.95 121.20 119.98 1uil s ILE 73 Ca -0.13 -1.56 0.00 0.00 -0.26 0.00 0.00 60.65 58.71 1uil s ILE 73 Cb -0.08 -3.19 -0.03 0.00 1.25 0.00 0.00 42.46 40.41 1uil s ILE 73 CO -0.00 -0.34 -0.04 0.12 0.24 0.00 0.00 174.94 174.92 1uil s PHE 74 N -2.16 0.41 0.03 1.37 2.19 -1.26 -1.01 117.98 117.55 1uil s PHE 74 Ca 0.32 -0.65 -0.01 0.00 0.33 0.00 0.00 56.93 56.92 1uil s PHE 74 Cb -0.08 -0.28 -0.02 0.00 -1.31 0.00 0.00 43.02 41.33 1uil s PHE 74 CO 0.23 -0.21 -0.00 0.00 1.83 0.00 0.00 175.22 177.07 1uil s ALA 75 N -2.02 0.19 -0.30 11.12 0.00 0.14 -4.90 121.76 125.98 1uil s ALA 75 Ca -0.09 -0.75 -0.05 0.00 0.00 0.00 0.00 51.96 51.07 1uil s ALA 75 Cb -0.06 0.20 0.19 0.00 0.00 0.00 0.00 23.12 23.45 1uil s ALA 75 CO -0.03 -0.25 0.88 0.50 0.00 0.00 0.00 175.76 176.86 1uil s ARG 76 N -2.38 0.31 0.32 0.00 3.00 -1.26 -1.07 118.95 117.87 1uil s ARG 76 Ca -0.07 0.24 0.09 0.00 -1.00 0.00 0.00 55.73 54.98 1uil s ARG 76 Cb -0.03 0.12 -0.05 0.00 0.00 0.00 0.00 34.95 34.99 1uil s ARG 76 CO -0.04 -0.56 0.03 -1.21 0.00 0.00 0.00 175.30 173.51 1uil s GLU 77 N 2.78 2.17 -0.71 5.12 0.41 -0.96 -4.96 118.70 122.56 1uil s GLU 77 Ca 0.21 -1.64 0.03 0.00 -0.41 0.00 0.00 54.97 53.16 1uil s GLU 77 Cb -0.04 -2.02 0.32 0.00 -1.78 0.00 0.00 34.13 30.61 1uil s GLU 77 CO -0.23 0.18 1.13 -2.39 -0.49 0.00 0.00 175.26 173.47 1uil n HIS 78 N -0.97 3.65 -1.08 1.61 1.44 -1.26 -1.30 115.22 117.30 1uil n HIS 78 Ca -0.04 -3.65 -0.32 0.00 -2.01 0.00 0.00 57.72 51.69 1uil n HIS 78 Cb 0.61 -0.68 0.13 0.00 0.12 0.00 0.00 29.99 30.17 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 -2.81 1.99 0.03 -1.39 0.00 -1.25 -4.86 107.32 99.03 1uil s GLY 79 Ca 0.45 0.70 -0.29 0.00 0.00 0.00 0.00 44.72 45.57 1uil s GLY 79 CO -0.11 1.10 1.30 1.76 0.00 0.00 0.00 173.10 177.16 1uil h SER 80 N -1.09 -0.76 -2.82 1.64 0.02 -1.92 -3.31 113.55 105.32 1uil h SER 80 Ca -0.45 -0.01 -0.60 0.00 -0.84 0.00 0.00 61.79 59.89 1uil h SER 80 Cb 1.28 0.20 -0.11 0.00 0.14 0.00 0.00 62.40 63.90 1uil h SER 80 CO 0.46 -0.42 -0.67 0.54 -1.14 0.00 0.00 176.83 175.60 1uil s ASN 81 N -4.50 4.65 0.29 3.07 2.20 -1.26 -4.36 114.94 115.03 1uil s ASN 81 Ca -0.16 -0.46 -0.01 0.00 -0.94 0.00 0.00 52.86 51.29 1uil s ASN 81 Cb 0.02 -0.94 0.66 0.00 -2.00 0.00 0.00 41.25 38.99 1uil s ASN 81 CO 0.51 0.08 1.58 0.11 -2.94 0.00 0.00 177.10 176.44 1uil h LYS 82 N 2.64 0.03 0.11 3.55 1.57 -1.88 0.25 116.57 122.83 1uil h LYS 82 Ca -0.47 -0.00 0.01 0.00 -1.87 0.00 0.00 60.65 58.32 1uil h LYS 82 Cb 1.21 -0.01 -0.03 0.00 0.08 0.00 0.00 32.23 33.48 1uil h LYS 82 CO 0.58 0.02 -0.34 -0.22 -0.57 0.00 0.00 179.45 178.92 1uil h LYS 83 N 0.03 -0.48 -0.03 3.15 3.64 -1.97 0.34 116.57 121.25 1uil h LYS 83 Ca 0.55 0.03 0.01 0.00 -1.27 0.00 0.00 60.65 59.97 1uil h LYS 83 Cb 1.07 0.11 -0.01 0.00 -0.41 0.00 0.00 32.23 32.99 1uil h LYS 83 CO -0.89 -0.32 -0.09 -0.07 -2.27 0.00 0.00 179.45 175.80 1uil h LEU 84 N -0.50 -0.30 -0.79 5.20 3.38 -1.02 0.52 115.31 121.79 1uil h LEU 84 Ca -0.01 0.04 0.07 0.00 0.09 0.00 0.00 57.88 58.07 1uil h LEU 84 Cb 0.49 0.12 -0.10 0.00 0.09 0.00 0.00 40.66 41.26 1uil h LEU 84 CO -0.17 -0.08 -0.47 0.00 0.09 0.00 0.00 178.44 177.81 1uil n ALA 85 N -2.66 -0.51 -0.05 1.53 0.00 0.22 0.85 120.51 119.89 1uil n ALA 85 Ca -0.01 0.68 -0.10 0.00 0.00 0.00 0.00 53.44 54.00 1uil n ALA 85 Cb 0.06 -0.10 -0.04 0.00 0.00 0.00 0.00 19.45 19.37 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 0.38 -0.43 -0.07 0.00 0.00 0.37 -0.49 119.26 119.02 1uil h ALA 86 Ca 0.13 0.04 0.01 0.00 0.00 0.00 0.00 54.91 55.08 1uil h ALA 86 Cb 0.33 0.75 -0.01 0.00 0.00 0.00 0.00 17.79 18.86 1uil h ALA 86 CO -0.75 -0.84 -0.07 1.96 0.00 0.00 0.00 179.25 179.55 1uil h GLN 87 N -0.39 -0.04 -0.96 0.00 1.08 0.56 0.41 115.11 115.78 1uil h GLN 87 Ca 0.11 0.00 0.14 0.00 -1.45 0.00 0.00 58.65 57.46 1uil h GLN 87 Cb 0.58 0.01 -0.15 0.00 -0.05 0.00 0.00 27.48 27.87 1uil h GLN 87 CO -0.45 -0.02 -0.41 1.03 -0.95 0.00 0.00 178.83 178.02 1uil h SER 88 N -0.04 -1.51 -0.01 1.46 0.87 -0.48 0.13 113.55 113.98 1uil h SER 88 Ca 0.01 0.31 0.01 0.00 -1.23 0.00 0.00 61.79 60.89 1uil h SER 88 Cb 0.07 0.77 -0.03 0.00 -0.44 0.00 0.00 62.40 62.77 1uil h SER 88 CO -0.09 -0.28 -0.30 0.00 -0.53 0.00 0.00 176.83 175.63 1uil n ALA 90 N -2.77 0.00 -0.38 0.00 0.00 0.13 0.15 120.51 117.65 1uil n ALA 90 Ca -0.04 0.00 0.30 0.00 0.00 0.00 0.00 53.44 53.70 1uil n ALA 90 Cb 0.22 0.44 0.57 0.00 0.00 0.00 0.00 19.45 20.67 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 0.37 -0.50 0.00 5.85 -0.73 1.37 115.31 121.66 1uil h LEU 91 Ca 0.00 0.17 0.06 0.00 0.84 0.00 0.00 57.88 58.95 1uil h LEU 91 Cb 0.00 0.14 -0.05 0.00 0.37 0.00 0.00 40.66 41.11 1uil h LEU 91 CO 0.00 -0.17 0.20 -1.28 -0.34 0.00 0.00 178.44 176.85 1uil h SER 92 N 0.19 0.23 -0.03 1.25 0.87 0.74 0.65 113.55 117.44 1uil h SER 92 Ca 0.77 0.05 -0.12 0.00 -1.23 0.00 0.00 61.79 61.26 1uil h SER 92 Cb 2.11 0.02 0.01 0.00 -0.44 0.00 0.00 62.40 64.10 1uil h SER 92 CO -0.51 0.16 -0.44 -0.07 -0.53 0.00 0.00 176.83 175.43 1uil h LEU 93 N 0.39 0.44 -0.20 2.23 -0.00 0.39 -2.57 115.31 115.99 1uil h LEU 93 Ca 0.24 -0.73 0.06 0.00 -0.00 0.00 0.00 57.88 57.45 1uil h LEU 93 Cb 0.23 -0.13 -0.07 0.00 -0.00 0.00 0.00 40.66 40.69 1uil h LEU 93 CO -0.22 1.10 -0.28 0.58 -0.00 0.00 0.00 178.44 179.62 1uil h VAL 94 N -0.19 0.34 0.44 1.22 2.07 0.30 0.39 116.25 120.83 1uil h VAL 94 Ca -0.05 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.46 1uil h VAL 94 Cb 1.15 0.34 -0.03 0.00 -1.52 0.00 0.00 31.29 31.23 1uil h VAL 94 CO 0.09 0.00 -0.51 0.03 0.02 0.00 0.00 177.57 177.20 1uil h ARG 95 N -0.31 -0.94 -1.02 1.57 3.08 0.22 0.11 114.38 117.10 1uil h ARG 95 Ca 0.12 0.06 0.26 0.00 0.07 0.00 0.00 59.98 60.49 1uil h ARG 95 Cb 0.50 0.21 -0.12 0.00 0.08 0.00 0.00 29.97 30.64 1uil h ARG 95 CO -0.38 -0.62 0.61 1.96 -1.07 0.00 0.00 179.97 180.47 1uil h GLN 96 N -0.97 0.51 0.28 0.04 4.20 -1.02 0.31 115.11 118.46 1uil h GLN 96 Ca -0.05 -0.03 -0.01 0.00 0.06 0.00 0.00 58.65 58.61 1uil h GLN 96 Cb 0.86 -0.12 0.00 0.00 0.30 0.00 0.00 27.48 28.53 1uil h GLN 96 CO -0.10 0.34 -0.13 -0.07 -0.67 0.00 0.00 178.83 178.20 1uil h LEU 97 N 0.53 -0.31 0.68 1.46 3.38 0.81 -1.21 115.31 120.63 1uil h LEU 97 Ca 0.65 -0.08 -0.03 0.00 0.09 0.00 0.00 57.88 58.51 1uil h LEU 97 Cb 1.32 0.08 -0.01 0.00 0.09 0.00 0.00 40.66 42.14 1uil h LEU 97 CO -0.46 -0.11 -0.50 0.22 0.09 0.00 0.00 178.44 177.68 1uil h TYR 98 N -0.50 -1.36 -0.52 1.13 3.20 0.18 0.61 116.97 119.70 1uil h TYR 98 Ca -0.04 -0.00 0.05 0.00 3.14 0.00 0.00 58.73 61.88 1uil h TYR 98 Cb 0.38 0.50 -0.08 0.00 1.54 0.00 0.00 36.73 39.07 1uil h TYR 98 CO -0.02 -0.71 -0.48 1.12 -1.64 0.00 0.00 178.16 176.43 1uil h HIS 99 N -1.13 -1.49 -0.50 -3.82 2.07 -0.55 0.13 115.15 109.86 1uil h HIS 99 Ca -0.09 0.08 0.10 0.00 -2.85 0.00 0.00 60.37 57.61 1uil h HIS 99 Cb 0.94 0.72 -0.10 0.00 2.57 0.00 0.00 27.41 31.53 1uil h HIS 99 CO -0.17 -0.37 -0.17 -0.07 -3.07 0.00 0.00 177.93 174.08 1uil h LEU 100 N -0.21 -0.61 0.00 6.12 3.38 -1.12 -3.46 115.31 119.41 1uil h LEU 100 Ca 0.09 0.17 0.00 0.00 0.09 0.00 0.00 57.88 58.22 1uil h LEU 100 Cb 0.44 0.36 0.00 0.00 0.09 0.00 0.00 40.66 41.56 1uil h LEU 100 CO -0.60 -0.21 0.00 0.61 0.09 0.00 0.00 178.44 178.33 1uil n GLY 101 N -1.39 0.79 0.04 0.83 0.00 0.61 -5.06 105.19 101.01 1uil n GLY 101 Ca 0.04 -0.03 -0.05 0.00 0.00 0.00 0.00 46.02 45.98 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 0.48 -4.53 1.61 0.31 0.18 -4.99 118.33 111.39 1uil n VAL 102 Ca 0.00 -0.24 -0.25 0.00 -0.01 0.00 0.00 64.34 63.84 1uil n VAL 102 Cb 0.00 -0.81 -0.11 0.00 -0.91 0.00 0.00 33.84 32.01 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 -2.17 1.93 -0.02 2.52 -4.36 -1.23 -4.93 121.20 112.94 1uil s ILE 103 Ca -0.07 -2.11 0.06 0.00 -0.26 0.00 0.00 60.65 58.27 1uil s ILE 103 Cb 0.02 -2.71 -0.02 0.00 1.25 0.00 0.00 42.46 41.00 1uil s ILE 103 CO 0.24 -0.15 -0.21 -1.83 0.24 0.00 0.00 174.94 173.23 1uil s GLU 104 N -3.69 2.23 0.21 0.37 1.03 -1.26 -4.40 118.70 113.20 1uil s GLU 104 Ca 0.33 -0.86 -0.14 0.00 0.03 0.00 0.00 54.97 54.33 1uil s GLU 104 Cb 0.05 -2.17 -0.10 0.00 -0.80 0.00 0.00 34.13 31.11 1uil s GLU 104 CO 0.16 0.58 0.13 0.00 -1.33 0.00 0.00 175.26 174.80 1uil n ALA 105 N 2.28 -2.31 -0.77 -0.84 0.00 -1.26 -4.85 120.51 112.76 1uil n ALA 105 Ca -0.16 0.13 -0.04 0.00 0.00 0.00 0.00 53.44 53.36 1uil n ALA 105 Cb 0.52 -0.93 0.07 0.00 0.00 0.00 0.00 19.45 19.10 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 -0.45 -1.82 -2.78 0.00 9.36 -1.26 -4.92 117.16 115.29 1uil n TYR 106 Ca 0.08 -0.08 0.00 0.00 3.32 0.00 0.00 57.90 61.23 1uil n TYR 106 Cb 0.22 -0.55 0.05 0.00 -0.63 0.00 0.00 39.34 38.42 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 -1.88 1.54 -4.35 2.98 2.88 -1.26 -4.79 113.62 108.74 1uil n SER 107 Ca 0.03 -2.05 -0.34 0.00 -1.33 0.00 0.00 58.87 55.18 1uil n SER 107 Cb 0.15 -0.45 0.09 0.00 -0.75 0.00 0.00 64.21 63.25 1uil n SER 107 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 1uil n SER 108 N -0.44 -2.61 -3.48 -3.46 3.41 -1.26 -5.01 113.62 100.76 1uil n SER 108 Ca 0.07 0.36 -0.10 0.00 -0.26 0.00 0.00 58.87 58.95 1uil n SER 108 Cb 0.85 -1.13 0.03 0.00 -0.26 0.00 0.00 64.21 63.71 1uil n SER 108 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1uil n GLY 109 N 1.89 1.93 2.71 5.00 0.00 -1.26 -4.96 105.19 110.50 1uil n GLY 109 Ca 0.06 -2.18 -0.36 0.00 0.00 0.00 0.00 46.02 43.54 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 -1.64 2.46 -0.05 1.61 -0.04 -1.26 -4.45 135.00 131.62 1uil n PRO 110 Ca 0.08 -2.00 -0.03 0.00 -0.04 0.00 0.00 63.50 61.51 1uil n PRO 110 Cb 0.30 -2.86 -0.01 0.00 -0.04 0.00 0.00 33.50 30.90 1uil n PRO 110 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 1uil h SER 111 N 6.39 0.00 0.00 3.54 4.64 -2.02 -3.47 113.55 122.62 1uil h SER 111 Ca 0.57 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.89 1uil h SER 111 Cb 0.44 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.53 1uil h SER 111 CO 1.77 0.55 0.00 -1.54 -0.87 0.00 0.00 176.83 176.74 1uil n SER 112 N -4.00 0.70 0.00 4.97 3.41 -1.26 -5.32 113.62 112.11 1uil n SER 112 Ca -0.05 0.23 0.00 0.00 -0.26 0.00 0.00 58.87 58.79 1uil n SER 112 Cb 0.19 -0.11 0.00 0.00 -0.26 0.00 0.00 64.21 64.03 1uil n SER 112 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49