#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 -8.47 0.09 1.61 2.88 -1.26 -5.05 113.62 103.42 1uil n SER 2 Ca 0.00 1.17 0.00 0.00 -1.33 0.00 0.00 58.87 58.71 1uil n SER 2 Cb 0.00 -4.27 0.00 0.00 -0.75 0.00 0.00 64.21 59.19 1uil n SER 2 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 1uil n SER 3 N 0.44 0.49 0.00 -3.46 7.64 -1.26 -5.13 113.62 112.33 1uil n SER 3 Ca 0.00 0.28 0.00 0.00 1.01 0.00 0.00 58.87 60.16 1uil n SER 3 Cb 0.00 0.01 0.00 0.00 -1.01 0.00 0.00 64.21 63.21 1uil n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1uil n GLY 4 N 2.58 1.40 2.32 0.23 0.00 -1.26 -5.06 105.19 105.39 1uil n GLY 4 Ca 0.00 -1.00 -0.04 0.00 0.00 0.00 0.00 46.02 44.98 1uil n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1uil n SER 5 N 0.00 -2.04 -2.76 1.61 7.64 -1.26 -5.05 113.62 111.76 1uil n SER 5 Ca 0.00 1.16 -0.04 0.00 1.01 0.00 0.00 58.87 61.00 1uil n SER 5 Cb 0.00 -4.42 0.01 0.00 -1.01 0.00 0.00 64.21 58.80 1uil n SER 5 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 1uil n SER 6 N 1.39 -3.42 0.00 6.43 2.88 -1.26 -5.09 113.62 114.55 1uil n SER 6 Ca -0.28 -2.95 0.00 0.00 -1.33 0.00 0.00 58.87 54.31 1uil n SER 6 Cb 0.43 1.76 0.00 0.00 -0.75 0.00 0.00 64.21 65.66 1uil n SER 6 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1uil n GLY 7 N 2.83 -0.60 2.91 0.46 0.00 -1.26 -5.10 105.19 104.44 1uil n GLY 7 Ca 0.17 0.17 -0.08 0.00 0.00 0.00 0.00 46.02 46.28 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 -6.91 -3.18 0.99 4.32 -1.26 -4.99 117.00 105.97 1uil n LEU 8 Ca 0.00 0.80 -0.19 0.00 -0.02 0.00 0.00 56.01 56.59 1uil n LEU 8 Cb 0.00 -2.99 -0.04 0.00 -1.62 0.00 0.00 43.42 38.77 1uil n LEU 8 CO 0.00 -2.34 -0.24 -1.84 -1.22 0.00 0.00 177.39 171.75 1uil n GLU 9 N 0.28 0.90 -1.65 3.23 0.28 -1.26 -5.05 120.64 117.37 1uil n GLU 9 Ca 0.04 -3.32 -0.16 0.00 -0.16 0.00 0.00 57.16 53.56 1uil n GLU 9 Cb 0.31 -1.57 -0.09 0.00 1.43 0.00 0.00 31.44 31.53 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 -2.08 3.81 -0.06 -1.84 0.01 -1.26 -4.86 113.70 107.42 1uil s SER 10 Ca 0.38 -0.59 -0.29 0.00 1.31 0.00 0.00 55.95 56.76 1uil s SER 10 Cb 0.30 -2.58 -0.07 0.00 0.21 0.00 0.00 66.02 63.89 1uil s SER 10 CO -0.09 -4.19 1.88 -1.83 0.41 0.00 0.00 173.24 169.43 1uil s GLU 11 N 8.42 3.93 -0.32 12.44 -1.05 -1.26 -4.94 118.70 135.92 1uil s GLU 11 Ca 0.84 2.28 -0.02 0.00 -0.15 0.00 0.00 54.97 57.92 1uil s GLU 11 Cb -0.08 -4.14 0.12 0.00 -0.44 0.00 0.00 34.13 29.59 1uil s GLU 11 CO 0.13 -1.17 0.17 -2.00 0.95 0.00 0.00 175.26 173.34 1uil s GLU 12 N 4.70 0.35 0.07 -4.83 2.12 -1.26 -5.12 118.70 114.73 1uil s GLU 12 Ca 0.84 -0.89 0.02 0.00 0.36 0.00 0.00 54.97 55.30 1uil s GLU 12 Cb -0.36 -1.21 -0.03 0.00 0.26 0.00 0.00 34.13 32.78 1uil s GLU 12 CO 0.36 -1.11 -0.08 0.08 -0.54 0.00 0.00 175.26 173.98 1uil s VAL 13 N 1.63 0.63 0.02 3.70 1.01 -1.26 -5.03 120.40 121.10 1uil s VAL 13 Ca 0.13 -1.43 -0.00 0.00 0.00 0.00 0.00 61.98 60.68 1uil s VAL 13 Cb -0.19 -1.06 0.00 0.00 0.00 0.00 0.00 36.38 35.13 1uil s VAL 13 CO -0.19 -0.57 0.00 -0.67 0.00 0.00 0.00 175.10 173.66 1uil n ASP 14 N 0.85 -8.88 0.00 3.32 -0.08 -1.26 -5.03 116.55 105.48 1uil n ASP 14 Ca -0.18 1.82 0.00 0.00 -1.51 0.00 0.00 54.79 54.92 1uil n ASP 14 Cb 0.57 -4.96 0.00 0.00 2.34 0.00 0.00 41.12 39.07 1uil n ASP 14 CO 0.00 0.00 0.00 -0.11 0.12 0.00 0.00 177.20 177.21 1uil n LEU 15 N 1.87 0.00 0.11 -2.67 -0.00 -1.26 -4.69 117.00 110.36 1uil n LEU 15 Ca -0.00 0.00 -0.23 0.00 -0.00 0.00 0.00 56.01 55.78 1uil n LEU 15 Cb 0.00 -0.15 -0.15 0.00 -0.00 0.00 0.00 43.42 43.11 1uil n LEU 15 CO 0.00 -0.29 -0.33 -0.55 -0.00 0.00 0.00 177.39 176.22 1uil h ASN 16 N 0.00 0.71 -0.98 1.96 7.08 -1.97 -3.25 115.58 119.13 1uil h ASN 16 Ca 0.00 -0.86 0.24 0.00 -3.08 0.00 0.00 56.30 52.61 1uil h ASN 16 Cb 0.00 -0.23 -0.18 0.00 -2.08 0.00 0.00 38.32 35.82 1uil h ASN 16 CO 0.00 1.69 -0.07 0.00 -2.08 0.00 0.00 177.43 176.98 1uil h ALA 17 N 0.20 0.99 0.08 4.14 0.00 -1.91 0.56 119.26 123.31 1uil h ALA 17 Ca -0.28 0.35 -0.00 0.00 0.00 0.00 0.00 54.91 54.98 1uil h ALA 17 Cb 2.13 0.65 0.00 0.00 0.00 0.00 0.00 17.79 20.56 1uil h ALA 17 CO 0.23 -0.51 -0.04 0.78 0.00 0.00 0.00 179.25 179.72 1uil h GLY 18 N 0.01 -0.11 -0.01 0.00 0.00 -1.84 -2.78 103.07 98.33 1uil h GLY 18 Ca 0.55 0.04 0.04 0.00 0.00 0.00 0.00 47.33 47.96 1uil h GLY 18 CO -0.95 -0.04 -0.46 1.41 0.00 0.00 0.00 176.54 176.50 1uil h LEU 19 N -0.39 -1.43 -0.10 3.11 3.38 -0.18 -2.68 115.31 117.03 1uil h LEU 19 Ca -0.01 0.18 0.01 0.00 0.09 0.00 0.00 57.88 58.15 1uil h LEU 19 Cb 0.33 0.57 -0.01 0.00 0.09 0.00 0.00 40.66 41.64 1uil h LEU 19 CO 0.02 -0.45 -0.07 0.45 0.09 0.00 0.00 178.44 178.48 1uil h HIS 20 N -0.53 -0.23 0.00 1.13 3.86 -0.21 -3.48 115.15 115.70 1uil h HIS 20 Ca 0.06 0.01 0.00 0.00 -1.16 0.00 0.00 60.37 59.29 1uil h HIS 20 Cb 0.65 0.11 0.00 0.00 1.06 0.00 0.00 27.41 29.23 1uil h HIS 20 CO -0.51 -0.05 0.00 0.41 0.86 0.00 0.00 177.93 178.64 1uil n GLY 21 N -1.04 3.28 3.10 2.45 0.00 -1.01 -5.01 105.19 106.96 1uil n GLY 21 Ca 0.00 -0.69 -0.43 0.00 0.00 0.00 0.00 46.02 44.90 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 5.09 -3.73 1.61 3.02 -1.26 -4.81 115.26 115.18 1uil n ASN 22 Ca 0.00 -3.05 -0.28 0.00 -0.03 0.00 0.00 54.58 51.22 1uil n ASN 22 Cb 0.00 -1.52 -0.12 0.00 -0.61 0.00 0.00 39.78 37.53 1uil n ASN 22 CO 0.00 0.00 0.00 0.26 -2.62 0.00 0.00 177.26 174.90 1uil s TRP 23 N 1.01 2.65 0.25 3.10 0.23 -1.26 -4.47 118.94 120.44 1uil s TRP 23 Ca 0.41 -2.94 -0.11 0.00 -2.03 0.00 0.00 56.10 51.44 1uil s TRP 23 Cb 0.05 -2.09 -0.08 0.00 0.03 0.00 0.00 33.47 31.39 1uil s TRP 23 CO 0.00 -0.66 0.59 0.95 0.96 0.00 0.00 176.95 178.79 1uil s THR 24 N -0.78 4.88 0.22 2.01 -4.23 -1.26 -4.65 115.64 111.83 1uil s THR 24 Ca 0.26 0.59 0.10 0.00 -1.18 0.00 0.00 61.69 61.46 1uil s THR 24 Cb -0.05 -3.62 0.23 0.00 1.34 0.00 0.00 72.50 70.40 1uil s THR 24 CO -0.15 -0.08 0.99 0.18 -0.54 0.00 0.00 174.62 175.02 1uil n LEU 25 N -0.15 0.15 0.28 4.79 4.77 -1.26 0.15 117.00 125.72 1uil n LEU 25 Ca 0.01 1.05 -0.12 0.00 -0.03 0.00 0.00 56.01 56.92 1uil n LEU 25 Cb 0.53 -0.48 -0.06 0.00 -2.33 0.00 0.00 43.42 41.08 1uil n LEU 25 CO 0.44 -1.15 0.32 -0.08 -1.33 0.00 0.00 177.39 175.60 1uil h GLU 26 N 0.00 -0.73 -0.03 3.23 4.81 -1.91 -2.38 114.58 117.58 1uil h GLU 26 Ca 0.50 0.05 0.01 0.00 -0.13 0.00 0.00 59.36 59.79 1uil h GLU 26 Cb 1.27 0.17 -0.03 0.00 0.63 0.00 0.00 28.75 30.79 1uil h GLU 26 CO -0.51 -0.49 -0.27 -0.91 -0.73 0.00 0.00 179.01 176.10 1uil h ASN 27 N -1.12 -0.84 -0.84 1.04 -0.26 0.97 -1.28 115.58 113.25 1uil h ASN 27 Ca -0.08 0.10 0.10 0.00 -0.56 0.00 0.00 56.30 55.86 1uil h ASN 27 Cb 0.58 0.32 -0.12 0.00 -1.06 0.00 0.00 38.32 38.05 1uil h ASN 27 CO 0.13 -0.25 -0.41 0.00 -1.06 0.00 0.00 177.43 175.83 1uil n ALA 28 N -2.75 -0.33 -0.30 -0.83 0.00 0.10 0.93 120.51 117.33 1uil n ALA 28 Ca -0.03 0.77 0.00 0.00 0.00 0.00 0.00 53.44 54.18 1uil n ALA 28 Cb 0.19 -0.24 0.00 0.00 0.00 0.00 0.00 19.45 19.40 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 -0.24 0.00 4.81 -0.70 -0.28 118.16 116.61 1uil n LYS 29 Ca 0.05 0.71 -0.11 0.00 -0.87 0.00 0.00 58.31 58.09 1uil n LYS 29 Cb 0.27 -1.35 -0.08 0.00 0.02 0.00 0.00 35.03 33.90 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 -1.49 -0.58 -0.44 3.14 0.00 0.05 -1.18 119.26 118.77 1uil h ALA 30 Ca 0.00 0.07 0.04 0.00 0.00 0.00 0.00 54.91 55.02 1uil h ALA 30 Cb 0.00 1.16 -0.05 0.00 0.00 0.00 0.00 17.79 18.90 1uil h ALA 30 CO 0.00 -0.96 -0.26 -2.13 0.00 0.00 0.00 179.25 175.90 1uil n ARG 31 N -5.35 -0.19 -0.39 0.00 3.00 0.27 0.19 116.66 114.18 1uil n ARG 31 Ca -0.00 1.06 -0.08 0.00 -0.00 0.00 0.00 57.85 58.83 1uil n ARG 31 Cb 0.32 -1.57 -0.05 0.00 0.00 0.00 0.00 32.46 31.16 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 -1.90 -0.77 6.15 5.85 0.59 1.35 115.31 126.58 1uil h LEU 32 Ca 0.07 0.32 0.17 0.00 0.84 0.00 0.00 57.88 59.28 1uil h LEU 32 Cb 0.18 0.88 -0.11 0.00 0.37 0.00 0.00 40.66 41.98 1uil h LEU 32 CO -0.41 -0.26 0.23 -1.13 -0.34 0.00 0.00 178.44 176.53 1uil h ASN 33 N -0.02 0.10 0.32 1.25 -0.73 0.26 -0.05 115.58 116.71 1uil h ASN 33 Ca 0.22 0.14 -0.01 0.00 1.87 0.00 0.00 56.30 58.52 1uil h ASN 33 Cb 0.48 0.17 -0.00 0.00 0.27 0.00 0.00 38.32 39.24 1uil h ASN 33 CO -0.93 -0.02 -0.19 1.56 -0.37 0.00 0.00 177.43 177.48 1uil h GLN 34 N 0.31 -0.47 -0.95 6.67 1.08 0.47 0.33 115.11 122.55 1uil h GLN 34 Ca 0.44 0.03 0.25 0.00 -1.45 0.00 0.00 58.65 57.92 1uil h GLN 34 Cb 0.77 0.11 -0.06 0.00 -0.05 0.00 0.00 27.48 28.24 1uil h GLN 34 CO -0.51 -0.31 0.65 -0.92 -0.95 0.00 0.00 178.83 176.79 1uil h TYR 35 N -0.49 0.33 0.00 2.96 3.20 0.15 1.14 116.97 124.26 1uil h TYR 35 Ca -0.03 0.01 -0.01 0.00 3.14 0.00 0.00 58.73 61.84 1uil h TYR 35 Cb 0.40 -0.10 -0.00 0.00 1.54 0.00 0.00 36.73 38.57 1uil h TYR 35 CO -0.09 0.06 -0.24 0.74 -1.64 0.00 0.00 178.16 177.00 1uil h PHE 36 N 0.23 0.00 0.17 -3.82 0.04 -0.32 -2.33 116.94 110.91 1uil h PHE 36 Ca 0.49 0.00 -0.35 0.00 2.80 0.00 0.00 57.97 60.91 1uil h PHE 36 Cb 1.52 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.68 1uil h PHE 36 CO -0.00 0.03 -1.78 1.96 -0.60 0.00 0.00 178.31 177.92 1uil h GLN 37 N 0.00 0.36 0.47 1.51 4.20 0.31 0.41 115.11 122.38 1uil h GLN 37 Ca -0.00 -0.62 -0.02 0.00 0.06 0.00 0.00 58.65 58.06 1uil h GLN 37 Cb 1.03 0.23 0.00 0.00 0.30 0.00 0.00 27.48 29.04 1uil h GLN 37 CO 0.00 1.30 -0.23 0.87 -0.67 0.00 0.00 178.83 180.10 1uil h LYS 38 N 0.08 -0.61 0.00 1.46 1.79 0.15 -3.05 116.57 116.39 1uil h LYS 38 Ca -0.36 0.04 0.00 0.00 -2.18 0.00 0.00 60.65 58.15 1uil h LYS 38 Cb 2.07 0.14 0.00 0.00 -1.58 0.00 0.00 32.23 32.86 1uil h LYS 38 CO 0.15 -0.37 0.00 0.39 -1.08 0.00 0.00 179.45 178.54 1uil n GLU 39 N -5.20 0.07 -1.79 3.15 -0.58 -0.88 -4.83 120.64 110.58 1uil n GLU 39 Ca -0.09 0.35 -0.12 0.00 -0.42 0.00 0.00 57.16 56.89 1uil n GLU 39 Cb 0.27 -1.64 -0.03 0.00 -0.57 0.00 0.00 31.44 29.47 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 -1.77 -0.87 -2.03 3.49 5.02 -0.88 -5.00 118.16 116.12 1uil n LYS 40 Ca 0.02 0.73 -0.29 0.00 -2.02 0.00 0.00 58.31 56.76 1uil n LYS 40 Cb 0.16 -4.81 0.04 0.00 -0.02 0.00 0.00 35.03 30.41 1uil n LYS 40 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 1uil s ILE 41 N -2.51 3.56 -0.08 -0.18 1.01 0.14 -4.94 121.20 118.20 1uil s ILE 41 Ca 0.00 0.35 0.01 0.00 0.00 0.00 0.00 60.65 61.02 1uil s ILE 41 Cb 0.00 -3.48 0.02 0.00 0.01 0.00 0.00 42.46 39.01 1uil s ILE 41 CO 0.00 -0.59 -0.11 0.00 0.00 0.00 0.00 174.94 174.24 1uil s GLN 42 N -5.25 1.65 -0.25 2.79 -2.07 -1.26 -4.46 119.66 110.80 1uil s GLN 42 Ca 0.57 -0.37 -0.14 0.00 -1.82 0.00 0.00 55.36 53.61 1uil s GLN 42 Cb -0.11 -1.47 0.08 0.00 -1.09 0.00 0.00 33.01 30.42 1uil s GLN 42 CO 0.50 -0.07 0.61 0.20 -1.32 0.00 0.00 175.29 175.21 1uil s GLY 43 N 1.00 -0.56 0.43 2.60 0.00 -1.26 -5.10 107.32 104.42 1uil s GLY 43 Ca -0.08 2.18 0.02 0.00 0.00 0.00 0.00 44.72 46.84 1uil s GLY 43 CO -0.00 2.30 0.20 -1.84 0.00 0.00 0.00 173.10 173.75 1uil n GLU 44 N 4.44 0.90 -4.44 2.90 0.28 -1.26 -5.06 120.64 118.40 1uil n GLU 44 Ca -0.20 -2.87 -0.32 0.00 -0.16 0.00 0.00 57.16 53.61 1uil n GLU 44 Cb 0.57 0.50 -0.10 0.00 1.43 0.00 0.00 31.44 33.84 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 -2.32 2.91 -0.39 -1.84 1.51 -1.26 -4.70 117.35 111.26 1uil s TYR 45 Ca 0.15 -0.02 -0.05 0.00 -1.01 0.00 0.00 57.07 56.14 1uil s TYR 45 Cb -0.01 -1.62 0.09 0.00 -0.11 0.00 0.00 41.96 40.31 1uil s TYR 45 CO 0.10 0.38 0.18 0.21 -1.11 0.00 0.00 175.55 175.30 1uil s LYS 46 N -1.41 2.30 -0.22 -0.62 2.36 0.76 -4.92 119.74 117.99 1uil s LYS 46 Ca 0.17 -1.57 -0.20 0.00 -2.55 0.00 0.00 55.97 51.82 1uil s LYS 46 Cb -0.11 -3.56 -0.03 0.00 -1.05 0.00 0.00 37.83 33.08 1uil s LYS 46 CO 0.08 -0.93 0.59 0.71 1.55 0.00 0.00 175.35 177.35 1uil s TYR 47 N 1.26 3.34 -0.28 4.03 2.02 -1.25 0.07 117.35 126.54 1uil s TYR 47 Ca 0.03 0.83 -0.04 0.00 -0.37 0.00 0.00 57.07 57.53 1uil s TYR 47 Cb -0.22 -2.77 0.03 0.00 -0.40 0.00 0.00 41.96 38.59 1uil s TYR 47 CO -0.01 -0.21 0.01 0.99 -1.57 0.00 0.00 175.55 174.75 1uil s THR 48 N 2.06 3.30 -0.28 -0.71 2.01 0.12 -4.79 115.64 117.35 1uil s THR 48 Ca 0.26 -1.00 -0.29 0.00 0.31 0.00 0.00 61.69 60.97 1uil s THR 48 Cb -0.16 -2.74 0.01 0.00 0.01 0.00 0.00 72.50 69.63 1uil s THR 48 CO 0.09 0.07 1.04 -1.58 -0.69 0.00 0.00 174.62 173.56 1uil s GLN 49 N 1.37 4.14 0.53 4.92 -0.44 -1.26 0.16 119.66 129.08 1uil s GLN 49 Ca -0.00 1.16 0.02 0.00 -2.50 0.00 0.00 55.36 54.03 1uil s GLN 49 Cb -0.18 -3.70 0.00 0.00 -1.64 0.00 0.00 33.01 27.50 1uil s GLN 49 CO -0.01 -0.78 0.09 0.14 0.50 0.00 0.00 175.29 175.23 1uil s VAL 50 N 3.43 1.20 0.25 1.34 -7.23 -0.96 -4.96 120.40 113.47 1uil s VAL 50 Ca 0.44 -1.89 0.00 0.00 -1.81 0.00 0.00 61.98 58.72 1uil s VAL 50 Cb -0.13 -2.10 0.00 0.00 0.56 0.00 0.00 36.38 34.71 1uil s VAL 50 CO 0.11 0.00 0.00 0.61 -0.31 0.00 0.00 175.10 175.51 1uil n GLY 51 N -1.39 -1.42 3.81 2.32 0.00 -1.26 -2.87 105.19 104.37 1uil n GLY 51 Ca -0.17 -0.88 -0.32 0.00 0.00 0.00 0.00 46.02 44.65 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 -1.83 3.31 0.12 1.61 0.04 -1.17 -4.70 135.00 132.38 1uil s PRO 52 Ca 0.00 1.13 -0.24 0.00 0.04 0.00 0.00 61.00 61.93 1uil s PRO 52 Cb 0.00 -2.03 -0.05 0.00 0.04 0.00 0.00 34.50 32.46 1uil s PRO 52 CO 0.00 -0.81 1.67 0.22 0.04 0.00 0.00 177.00 178.11 1uil h ASP 53 N 0.25 -0.50 -1.03 6.66 3.58 -1.97 0.47 116.42 123.88 1uil h ASP 53 Ca -0.46 0.08 0.33 0.00 0.42 0.00 0.00 57.03 57.40 1uil h ASP 53 Cb 1.21 0.22 -0.15 0.00 1.72 0.00 0.00 39.33 42.34 1uil h ASP 53 CO 0.58 -0.23 0.59 1.12 -2.88 0.00 0.00 179.24 178.43 1uil h HIS 54 N -0.25 0.89 -2.09 0.28 2.07 -1.98 -3.17 115.15 110.89 1uil h HIS 54 Ca 0.07 0.04 -0.46 0.00 -2.85 0.00 0.00 60.37 57.16 1uil h HIS 54 Cb 0.35 -0.24 -0.33 0.00 2.57 0.00 0.00 27.41 29.76 1uil h HIS 54 CO -0.24 -0.17 -0.81 1.21 -3.07 0.00 0.00 177.93 174.85 1uil s ASN 55 N -4.88 1.22 0.31 3.10 2.47 -0.19 -5.13 114.94 111.85 1uil s ASN 55 Ca -0.10 -2.30 0.00 0.00 0.42 0.00 0.00 52.86 50.88 1uil s ASN 55 Cb 0.30 0.18 0.00 0.00 -1.45 0.00 0.00 41.25 40.28 1uil s ASN 55 CO 0.79 -0.20 0.01 -2.11 -3.72 0.00 0.00 177.10 171.87 1uil n ARG 56 N 3.47 1.23 -3.62 0.43 1.85 0.15 -3.04 116.66 117.13 1uil n ARG 56 Ca 0.20 -2.27 -0.02 0.00 -1.00 0.00 0.00 57.85 54.76 1uil n ARG 56 Cb 0.46 0.59 -0.05 0.00 -1.05 0.00 0.00 32.46 32.42 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 -2.73 -1.03 -0.46 2.89 0.01 -1.14 -4.98 113.70 106.27 1uil s SER 57 Ca 0.01 1.46 -0.29 0.00 1.31 0.00 0.00 55.95 58.44 1uil s SER 57 Cb -0.00 2.01 0.03 0.00 0.21 0.00 0.00 66.02 68.27 1uil s SER 57 CO 0.01 -0.21 1.14 -0.36 0.41 0.00 0.00 173.24 174.23 1uil s PHE 58 N 2.53 2.83 -0.70 2.43 0.40 -1.21 -2.25 117.98 122.02 1uil s PHE 58 Ca -0.07 0.77 -0.27 0.00 -0.60 0.00 0.00 56.93 56.76 1uil s PHE 58 Cb -0.10 -4.36 0.03 0.00 0.51 0.00 0.00 43.02 39.11 1uil s PHE 58 CO -0.19 -1.25 1.26 0.42 0.70 0.00 0.00 175.22 176.16 1uil s ILE 59 N 4.41 3.80 -0.50 0.64 1.01 0.43 -2.98 121.20 128.01 1uil s ILE 59 Ca 0.48 0.53 -0.25 0.00 0.00 0.00 0.00 60.65 61.42 1uil s ILE 59 Cb -0.08 -4.87 0.03 0.00 0.01 0.00 0.00 42.46 37.55 1uil s ILE 59 CO 0.30 -1.72 0.93 0.00 0.00 0.00 0.00 174.94 174.44 1uil s ALA 60 N 5.53 3.20 0.02 9.38 0.00 -0.46 0.15 121.76 139.59 1uil s ALA 60 Ca 0.37 -0.98 0.07 0.00 0.00 0.00 0.00 51.96 51.42 1uil s ALA 60 Cb -0.08 -3.67 -0.03 0.00 0.00 0.00 0.00 23.12 19.34 1uil s ALA 60 CO 0.18 -2.19 -0.20 -1.83 0.00 0.00 0.00 175.76 171.72 1uil s GLU 61 N 3.82 2.09 -0.04 0.00 -1.05 0.11 -2.26 118.70 121.37 1uil s GLU 61 Ca 0.34 -0.96 -0.07 0.00 -0.15 0.00 0.00 54.97 54.14 1uil s GLU 61 Cb -0.11 -2.16 0.01 0.00 -0.44 0.00 0.00 34.13 31.43 1uil s GLU 61 CO 0.23 0.55 0.17 1.41 0.95 0.00 0.00 175.26 178.57 1uil s MET 62 N -1.20 0.31 -0.01 -4.83 1.75 -0.54 -0.17 119.30 114.61 1uil s MET 62 Ca 0.13 0.02 0.03 0.00 -1.25 0.00 0.00 55.69 54.62 1uil s MET 62 Cb -0.10 0.14 -0.01 0.00 2.84 0.00 0.00 34.83 37.70 1uil s MET 62 CO 0.03 -0.06 -0.10 0.99 -0.65 0.00 0.00 175.02 175.24 1uil s THR 63 N -0.44 0.77 0.06 10.11 2.01 -1.26 0.70 115.64 127.59 1uil s THR 63 Ca -0.05 -0.40 0.00 0.00 0.31 0.00 0.00 61.69 61.55 1uil s THR 63 Cb -0.04 -0.65 -0.04 0.00 0.01 0.00 0.00 72.50 71.78 1uil s THR 63 CO 0.01 0.22 -0.04 0.27 -0.69 0.00 0.00 174.62 174.39 1uil s ILE 64 N -0.13 0.35 -0.04 1.82 -4.36 -0.15 -4.94 121.20 113.75 1uil s ILE 64 Ca 0.02 -1.65 0.07 0.00 -0.26 0.00 0.00 60.65 58.83 1uil s ILE 64 Cb -0.05 -1.30 -0.02 0.00 1.25 0.00 0.00 42.46 42.35 1uil s ILE 64 CO -0.00 -0.84 -0.25 -0.47 0.24 0.00 0.00 174.94 173.62 1uil s TYR 65 N -3.26 2.40 -0.23 1.37 6.14 -1.26 0.00 117.35 122.50 1uil s TYR 65 Ca 0.03 -0.54 -0.04 0.00 0.64 0.00 0.00 57.07 57.17 1uil s TYR 65 Cb 0.03 -1.55 -0.00 0.00 0.42 0.00 0.00 41.96 40.86 1uil s TYR 65 CO -0.06 -0.10 -0.03 0.42 0.64 0.00 0.00 175.55 176.42 1uil s ILE 66 N -0.43 3.37 0.08 3.14 -1.09 0.29 -4.95 121.20 121.60 1uil s ILE 66 Ca 0.05 -0.60 -0.11 0.00 -2.23 0.00 0.00 60.65 57.75 1uil s ILE 66 Cb -0.12 -2.59 -0.25 0.00 -1.58 0.00 0.00 42.46 37.93 1uil s ILE 66 CO 0.01 0.35 1.18 0.07 -1.23 0.00 0.00 174.94 175.31 1uil h LYS 67 N 8.11 0.58 0.00 2.79 2.10 -1.95 0.31 116.57 128.51 1uil h LYS 67 Ca -0.39 -0.70 0.00 0.00 -2.00 0.00 0.00 60.65 57.56 1uil h LYS 67 Cb 1.15 0.22 0.00 0.00 -0.90 0.00 0.00 32.23 32.69 1uil h LYS 67 CO 0.60 1.29 0.00 -0.56 -2.00 0.00 0.00 179.45 178.78 1uil h GLN 68 N 0.29 0.00 0.00 0.07 3.07 -1.93 -2.10 115.11 114.51 1uil h GLN 68 Ca -0.14 0.00 -0.29 0.00 0.09 0.00 0.00 58.65 58.30 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 -2.10 1.28 0.09 0.00 0.00 178.83 178.30 1uil n LEU 69 N -2.75 1.65 0.00 0.06 4.77 -1.15 -5.01 117.00 114.57 1uil n LEU 69 Ca -0.02 -0.06 0.00 0.00 -0.03 0.00 0.00 56.01 55.90 1uil n LEU 69 Cb 0.09 -0.21 0.00 0.00 -2.33 0.00 0.00 43.42 40.97 1uil n LEU 69 CO 0.17 0.63 0.00 0.61 -1.33 0.00 0.00 177.39 177.48 1uil n GLY 70 N 2.32 0.81 0.53 -0.72 0.00 0.10 -5.04 105.19 103.19 1uil n GLY 70 Ca -0.31 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 45.68 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 -2.35 0.26 -3.92 1.61 -4.01 -0.75 -4.99 116.66 102.52 1uil n ARG 71 Ca 0.00 -0.55 -0.10 0.00 -1.04 0.00 0.00 57.85 56.16 1uil n ARG 71 Cb 0.00 0.42 -0.10 0.00 -3.04 0.00 0.00 32.46 29.73 1uil n ARG 71 CO 0.00 0.00 0.00 -0.98 -3.04 0.00 0.00 177.63 173.61 1uil s ARG 72 N -2.23 0.43 0.20 2.89 1.04 -1.26 0.10 118.95 120.12 1uil s ARG 72 Ca 0.06 -0.53 0.09 0.00 -1.04 0.00 0.00 55.73 54.30 1uil s ARG 72 Cb 0.00 0.17 -0.04 0.00 -2.04 0.00 0.00 34.95 33.04 1uil s ARG 72 CO 0.04 -0.09 -0.06 0.96 -0.04 0.00 0.00 175.30 176.11 1uil s ILE 73 N -1.58 3.32 0.07 4.99 -4.36 0.10 -4.95 121.20 118.78 1uil s ILE 73 Ca -0.14 -1.70 0.04 0.00 -0.26 0.00 0.00 60.65 58.59 1uil s ILE 73 Cb -0.08 -2.68 -0.03 0.00 1.25 0.00 0.00 42.46 40.92 1uil s ILE 73 CO -0.00 -0.18 -0.11 0.12 0.24 0.00 0.00 174.94 175.01 1uil s PHE 74 N -1.88 0.97 0.07 1.37 2.19 -1.26 -0.98 117.98 118.46 1uil s PHE 74 Ca 0.27 -0.53 0.01 0.00 0.33 0.00 0.00 56.93 57.01 1uil s PHE 74 Cb -0.08 -0.55 -0.04 0.00 -1.31 0.00 0.00 43.02 41.04 1uil s PHE 74 CO 0.17 -0.01 -0.06 0.00 1.83 0.00 0.00 175.22 177.15 1uil s ALA 75 N -1.63 0.71 -0.31 11.12 0.00 0.22 -4.89 121.76 126.97 1uil s ALA 75 Ca -0.03 -1.12 -0.06 0.00 0.00 0.00 0.00 51.96 50.75 1uil s ALA 75 Cb -0.08 0.16 0.19 0.00 0.00 0.00 0.00 23.12 23.39 1uil s ALA 75 CO 0.01 -0.21 0.93 0.50 0.00 0.00 0.00 175.76 176.99 1uil s ARG 76 N -3.14 0.27 0.50 0.00 3.52 -1.26 -1.46 118.95 117.38 1uil s ARG 76 Ca 0.03 0.15 0.03 0.00 -0.13 0.00 0.00 55.73 55.82 1uil s ARG 76 Cb 0.01 0.09 -0.01 0.00 -1.56 0.00 0.00 34.95 33.48 1uil s ARG 76 CO -0.04 -0.48 0.10 -1.21 -0.81 0.00 0.00 175.30 172.86 1uil s GLU 77 N 2.68 2.19 -0.32 5.12 0.41 -0.96 -4.96 118.70 122.86 1uil s GLU 77 Ca 0.21 -2.25 0.01 0.00 -0.41 0.00 0.00 54.97 52.54 1uil s GLU 77 Cb -0.03 -1.70 0.10 0.00 -1.78 0.00 0.00 34.13 30.72 1uil s GLU 77 CO -0.21 -0.36 0.08 -3.38 -0.49 0.00 0.00 175.26 170.89 1uil s HIS 78 N -2.82 2.63 0.18 1.61 -3.43 -1.26 -1.35 115.29 110.85 1uil s HIS 78 Ca 0.18 -2.30 0.04 0.00 -0.80 0.00 0.00 55.06 52.17 1uil s HIS 78 Cb 0.02 -2.26 -0.04 0.00 -1.43 0.00 0.00 32.58 28.88 1uil s HIS 78 CO 0.10 -0.91 0.23 0.20 -2.00 0.00 0.00 174.74 172.36 1uil s GLY 79 N 1.30 1.61 0.09 -1.38 0.00 -1.16 -4.90 107.32 102.87 1uil s GLY 79 Ca 0.10 -1.17 -0.33 0.00 0.00 0.00 0.00 44.72 43.32 1uil s GLY 79 CO -0.18 -1.18 1.61 1.76 0.00 0.00 0.00 173.10 175.11 1uil h SER 80 N 2.03 -0.99 -2.10 1.64 0.02 -1.92 -3.20 113.55 109.03 1uil h SER 80 Ca -0.49 0.07 -0.60 0.00 -0.84 0.00 0.00 61.79 59.94 1uil h SER 80 Cb 1.21 0.31 -0.12 0.00 0.14 0.00 0.00 62.40 63.93 1uil h SER 80 CO 0.65 -0.56 -0.70 0.54 -1.14 0.00 0.00 176.83 175.62 1uil s ASN 81 N -4.47 3.91 0.10 3.07 2.20 -1.26 -4.37 114.94 114.11 1uil s ASN 81 Ca -0.17 -0.98 -0.21 0.00 -0.94 0.00 0.00 52.86 50.56 1uil s ASN 81 Cb 0.05 -0.46 -0.06 0.00 -2.00 0.00 0.00 41.25 38.79 1uil s ASN 81 CO 0.62 -0.07 1.36 0.11 -2.94 0.00 0.00 177.10 176.18 1uil h LYS 82 N 2.06 -0.10 -0.11 3.55 1.57 -1.90 0.16 116.57 121.81 1uil h LYS 82 Ca -0.42 0.01 0.01 0.00 -1.87 0.00 0.00 60.65 58.38 1uil h LYS 82 Cb 1.25 0.02 -0.01 0.00 0.08 0.00 0.00 32.23 33.57 1uil h LYS 82 CO 0.63 -0.07 -0.07 0.87 -0.57 0.00 0.00 179.45 180.25 1uil h LYS 83 N -0.10 -0.01 0.00 3.15 6.56 -1.98 0.64 116.57 124.83 1uil h LYS 83 Ca 0.08 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.67 1uil h LYS 83 Cb 0.32 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 31.98 1uil h LYS 83 CO -0.53 -0.01 0.00 1.28 -2.06 0.00 0.00 179.45 178.13 1uil n LEU 84 N -3.22 0.00 -0.19 2.94 4.77 -0.65 0.48 117.00 121.13 1uil n LEU 84 Ca 0.00 0.88 -0.05 0.00 -0.03 0.00 0.00 56.01 56.81 1uil n LEU 84 Cb 0.03 -0.39 -0.05 0.00 -2.33 0.00 0.00 43.42 40.69 1uil n LEU 84 CO -0.02 -0.39 0.44 0.00 -1.33 0.00 0.00 177.39 176.10 1uil n ALA 85 N -2.57 -0.29 -0.26 -1.18 0.00 0.47 -0.47 120.51 116.21 1uil n ALA 85 Ca 0.00 0.39 -0.08 0.00 0.00 0.00 0.00 53.44 53.75 1uil n ALA 85 Cb 0.00 0.16 -0.07 0.00 0.00 0.00 0.00 19.45 19.54 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 -0.21 -0.40 -0.93 0.00 0.00 0.16 0.76 119.26 118.63 1uil h ALA 86 Ca 0.07 0.07 0.26 0.00 0.00 0.00 0.00 54.91 55.31 1uil h ALA 86 Cb 0.19 1.23 -0.17 0.00 0.00 0.00 0.00 17.79 19.03 1uil h ALA 86 CO -0.43 -0.67 0.03 1.04 0.00 0.00 0.00 179.25 179.21 1uil n GLN 87 N -4.52 -0.07 0.18 0.00 6.02 0.18 0.63 117.38 119.80 1uil n GLN 87 Ca 0.01 1.39 -0.14 0.00 -0.01 0.00 0.00 57.00 58.25 1uil n GLN 87 Cb 0.18 -2.22 -0.08 0.00 1.02 0.00 0.00 30.24 29.14 1uil n GLN 87 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 177.06 177.08 1uil h SER 88 N 0.00 -0.38 -0.41 1.08 0.87 0.19 -1.90 113.55 113.00 1uil h SER 88 Ca 0.57 -0.11 0.05 0.00 -1.23 0.00 0.00 61.79 61.07 1uil h SER 88 Cb 1.18 0.10 -0.08 0.00 -0.44 0.00 0.00 62.40 63.15 1uil h SER 88 CO -0.87 -0.10 -0.55 0.00 -0.53 0.00 0.00 176.83 174.77 1uil h ALA 90 N -0.01 -0.25 -1.39 0.00 0.00 -0.59 0.65 119.26 117.68 1uil h ALA 90 Ca 0.08 0.00 0.48 0.00 0.00 0.00 0.00 54.91 55.47 1uil h ALA 90 Cb 0.60 0.79 -0.14 0.00 0.00 0.00 0.00 17.79 19.03 1uil h ALA 90 CO -0.60 -0.26 0.90 1.25 0.00 0.00 0.00 179.25 180.54 1uil h LEU 91 N -0.01 0.20 0.01 0.00 5.85 -0.69 1.55 115.31 122.21 1uil h LEU 91 Ca 0.00 0.15 0.01 0.00 0.84 0.00 0.00 57.88 58.89 1uil h LEU 91 Cb 0.02 0.16 -0.02 0.00 0.37 0.00 0.00 40.66 41.19 1uil h LEU 91 CO -0.03 -0.25 -0.07 -1.28 -0.34 0.00 0.00 178.44 176.47 1uil h SER 92 N 0.01 -0.21 -0.19 1.25 0.87 0.40 0.47 113.55 116.14 1uil h SER 92 Ca 0.88 0.03 -0.09 0.00 -1.23 0.00 0.00 61.79 61.39 1uil h SER 92 Cb 2.84 0.09 -0.00 0.00 -0.44 0.00 0.00 62.40 64.88 1uil h SER 92 CO -0.46 -0.11 -0.22 -0.07 -0.53 0.00 0.00 176.83 175.45 1uil h LEU 93 N -0.13 0.53 -0.42 2.23 -0.00 0.31 -2.49 115.31 115.33 1uil h LEU 93 Ca 0.03 -0.49 0.08 0.00 -0.00 0.00 0.00 57.88 57.50 1uil h LEU 93 Cb 0.17 -0.15 -0.08 0.00 -0.00 0.00 0.00 40.66 40.60 1uil h LEU 93 CO -0.07 0.91 -0.10 0.58 -0.00 0.00 0.00 178.44 179.76 1uil h VAL 94 N 0.15 0.58 -0.08 1.22 2.07 -0.04 0.70 116.25 120.85 1uil h VAL 94 Ca 0.03 -0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.58 1uil h VAL 94 Cb 0.77 0.57 -0.04 0.00 -1.52 0.00 0.00 31.29 31.08 1uil h VAL 94 CO 0.05 0.00 -0.13 0.03 0.02 0.00 0.00 177.57 177.55 1uil h ARG 95 N 0.01 -0.17 -0.88 1.57 3.08 -0.02 0.14 114.38 118.10 1uil h ARG 95 Ca 0.20 0.01 0.03 0.00 0.07 0.00 0.00 59.98 60.30 1uil h ARG 95 Cb 0.31 0.04 -0.05 0.00 0.08 0.00 0.00 29.97 30.35 1uil h ARG 95 CO -0.43 -0.11 0.57 1.96 -1.07 0.00 0.00 179.97 180.89 1uil h GLN 96 N -0.17 1.09 0.40 0.04 4.20 -0.78 0.19 115.11 120.08 1uil h GLN 96 Ca 0.07 -0.07 -0.01 0.00 0.06 0.00 0.00 58.65 58.71 1uil h GLN 96 Cb 0.28 -0.25 -0.01 0.00 0.30 0.00 0.00 27.48 27.80 1uil h GLN 96 CO -0.19 0.72 -0.26 -0.07 -0.67 0.00 0.00 178.83 178.36 1uil h LEU 97 N 1.12 -0.66 -0.44 1.46 3.38 0.12 0.54 115.31 120.83 1uil h LEU 97 Ca 0.35 0.04 0.04 0.00 0.09 0.00 0.00 57.88 58.40 1uil h LEU 97 Cb -0.02 0.20 -0.04 0.00 0.09 0.00 0.00 40.66 40.90 1uil h LEU 97 CO -0.11 -0.41 0.21 0.22 0.09 0.00 0.00 178.44 178.44 1uil h TYR 98 N -0.64 0.39 0.40 1.13 5.03 -0.36 0.69 116.97 123.60 1uil h TYR 98 Ca -0.04 0.02 -0.02 0.00 2.58 0.00 0.00 58.73 61.27 1uil h TYR 98 Cb 0.53 -0.11 0.00 0.00 1.55 0.00 0.00 36.73 38.71 1uil h TYR 98 CO -0.11 0.19 -0.20 1.25 -1.32 0.00 0.00 178.16 177.98 1uil h HIS 99 N 0.42 -0.51 -0.73 -3.82 2.76 -0.35 -3.00 115.15 109.92 1uil h HIS 99 Ca 0.19 -0.01 0.15 0.00 -2.20 0.00 0.00 60.37 58.51 1uil h HIS 99 Cb 0.12 0.17 -0.14 0.00 1.55 0.00 0.00 27.41 29.11 1uil h HIS 99 CO -0.11 -0.31 -0.11 -0.07 -1.30 0.00 0.00 177.93 176.02 1uil h LEU 100 N -0.54 -0.55 0.00 0.26 3.38 0.14 -3.45 115.31 114.54 1uil h LEU 100 Ca -0.05 0.21 0.00 0.00 0.09 0.00 0.00 57.88 58.12 1uil h LEU 100 Cb 0.41 0.41 0.00 0.00 0.09 0.00 0.00 40.66 41.57 1uil h LEU 100 CO 0.09 -0.22 0.00 0.61 0.09 0.00 0.00 178.44 179.01 1uil n GLY 101 N -1.46 0.39 0.74 0.83 0.00 0.13 -5.08 105.19 100.74 1uil n GLY 101 Ca 0.11 -0.74 0.00 0.00 0.00 0.00 0.00 46.02 45.39 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 0.00 -3.27 1.61 0.31 0.19 -4.99 118.33 112.18 1uil n VAL 102 Ca 0.00 0.00 -0.19 0.00 -0.01 0.00 0.00 64.34 64.14 1uil n VAL 102 Cb 0.00 -1.14 -0.00 0.00 -0.91 0.00 0.00 33.84 31.79 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 -1.98 2.71 0.01 2.52 -4.36 -1.24 -4.96 121.20 113.91 1uil s ILE 103 Ca 0.00 -1.16 0.08 0.00 -0.26 0.00 0.00 60.65 59.31 1uil s ILE 103 Cb 0.00 -2.87 -0.02 0.00 1.25 0.00 0.00 42.46 40.82 1uil s ILE 103 CO 0.00 0.00 -0.25 -1.83 0.24 0.00 0.00 174.94 173.10 1uil s GLU 104 N -4.29 1.88 -0.29 0.37 -1.05 -1.26 -4.58 118.70 109.47 1uil s GLU 104 Ca 0.52 -0.98 -0.42 0.00 -0.15 0.00 0.00 54.97 53.94 1uil s GLU 104 Cb -0.06 -1.92 -0.17 0.00 -0.44 0.00 0.00 34.13 31.53 1uil s GLU 104 CO 0.31 0.51 1.63 0.00 0.95 0.00 0.00 175.26 178.67 1uil n ALA 105 N 2.15 -0.77 -1.00 -0.84 0.00 -1.26 -4.92 120.51 113.86 1uil n ALA 105 Ca -0.16 0.44 0.00 0.00 0.00 0.00 0.00 53.44 53.72 1uil n ALA 105 Cb 0.52 -2.10 0.00 0.00 0.00 0.00 0.00 19.45 17.87 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 4.53 0.00 0.00 0.00 4.19 -1.26 -4.90 117.16 119.73 1uil n TYR 106 Ca 0.27 0.00 0.00 0.00 3.31 0.00 0.00 57.90 61.48 1uil n TYR 106 Cb 0.08 0.00 0.00 0.00 0.49 0.00 0.00 39.34 39.91 1uil n TYR 106 CO 0.00 0.00 0.00 0.43 0.91 0.00 0.00 176.86 178.20 1uil n SER 107 N 0.00 0.00 -0.10 2.98 7.64 -1.26 -4.60 113.62 118.27 1uil n SER 107 Ca 0.00 0.00 -0.14 0.00 1.01 0.00 0.00 58.87 59.74 1uil n SER 107 Cb 0.00 0.00 -0.03 0.00 -1.01 0.00 0.00 64.21 63.17 1uil n SER 107 CO 0.00 0.00 0.00 -1.28 -3.01 0.00 0.00 175.04 170.75 1uil h SER 108 N 0.00 0.91 -1.93 6.43 0.87 -1.96 -3.44 113.55 114.43 1uil h SER 108 Ca 0.00 -0.48 -0.64 0.00 -1.23 0.00 0.00 61.79 59.43 1uil h SER 108 Cb 0.00 -0.26 0.04 0.00 -0.44 0.00 0.00 62.40 61.74 1uil h SER 108 CO 0.00 1.21 0.84 0.61 -0.53 0.00 0.00 176.83 178.96 1uil n GLY 109 N 0.19 1.04 0.09 5.77 0.00 -1.26 -4.89 105.19 106.13 1uil n GLY 109 Ca -0.03 0.78 -0.11 0.00 0.00 0.00 0.00 46.02 46.66 1uil n GLY 109 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1uil h PRO 110 N 6.90 -0.08 -6.83 1.61 0.13 -2.03 -3.47 132.00 128.22 1uil h PRO 110 Ca -0.47 0.01 -0.44 0.00 -0.87 0.00 0.00 66.00 64.22 1uil h PRO 110 Cb 1.29 0.02 0.05 0.00 0.13 0.00 0.00 31.00 32.49 1uil h PRO 110 CO 0.90 0.50 -0.04 -1.54 -0.23 0.00 0.00 178.00 177.60 1uil s SER 111 N -5.76 5.12 -1.15 1.44 1.04 -1.26 -4.51 113.70 108.63 1uil s SER 111 Ca -0.14 -0.19 -0.15 0.00 0.48 0.00 0.00 55.95 55.95 1uil s SER 111 Cb -0.00 -0.59 0.16 0.00 0.10 0.00 0.00 66.02 65.69 1uil s SER 111 CO 0.55 -1.26 1.36 -0.94 0.98 0.00 0.00 173.24 173.93 1uil s SER 112 N -4.50 6.97 0.00 7.02 1.04 -1.26 -4.89 113.70 118.09 1uil s SER 112 Ca 0.59 -2.79 0.00 0.00 0.48 0.00 0.00 55.95 54.23 1uil s SER 112 Cb -0.09 -2.40 0.00 0.00 0.10 0.00 0.00 66.02 63.63 1uil s SER 112 CO 0.39 -0.81 0.00 0.61 0.98 0.00 0.00 173.24 174.41