#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 -0.11 -0.43 1.61 0.15 -1.26 -5.11 113.70 108.55 1uil s SER 2 Ca 0.00 -0.12 0.04 0.00 0.70 0.00 0.00 55.95 56.57 1uil s SER 2 Cb 0.00 0.21 0.17 0.00 -1.71 0.00 0.00 66.02 64.69 1uil s SER 2 CO 0.00 -0.37 0.42 -0.94 1.20 0.00 0.00 173.24 173.55 1uil s SER 3 N -2.71 0.83 0.00 5.45 1.04 -1.26 -5.13 113.70 111.93 1uil s SER 3 Ca 0.12 -2.57 0.00 0.00 0.48 0.00 0.00 55.95 53.98 1uil s SER 3 Cb 0.02 0.19 0.00 0.00 0.10 0.00 0.00 66.02 66.33 1uil s SER 3 CO -0.04 -0.16 0.00 0.61 0.98 0.00 0.00 173.24 174.63 1uil n GLY 4 N 3.08 0.63 3.79 7.32 0.00 -1.26 -4.93 105.19 113.81 1uil n GLY 4 Ca 0.24 -0.73 -0.09 0.00 0.00 0.00 0.00 46.02 45.44 1uil n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1uil s SER 5 N -3.84 0.04 0.22 1.61 1.04 -1.26 -5.19 113.70 106.32 1uil s SER 5 Ca 0.00 -1.12 -0.05 0.00 0.48 0.00 0.00 55.95 55.26 1uil s SER 5 Cb 0.00 0.83 -0.02 0.00 0.10 0.00 0.00 66.02 66.92 1uil s SER 5 CO 0.00 -1.63 0.28 -0.94 0.98 0.00 0.00 173.24 171.92 1uil s SER 6 N -3.07 0.11 0.00 7.02 1.04 -1.26 -4.97 113.70 112.57 1uil s SER 6 Ca 0.16 -1.22 0.00 0.00 0.48 0.00 0.00 55.95 55.37 1uil s SER 6 Cb -0.05 0.47 0.00 0.00 0.10 0.00 0.00 66.02 66.54 1uil s SER 6 CO 0.12 -0.97 0.00 0.61 0.98 0.00 0.00 173.24 173.97 1uil n GLY 7 N -0.33 0.54 2.77 7.32 0.00 -1.26 -5.02 105.19 109.21 1uil n GLY 7 Ca 0.01 -0.39 -0.26 0.00 0.00 0.00 0.00 46.02 45.38 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 -0.89 3.91 -2.75 0.99 4.77 -1.26 -4.93 117.00 116.84 1uil n LEU 8 Ca 0.00 -5.56 -0.27 0.00 -0.03 0.00 0.00 56.01 50.14 1uil n LEU 8 Cb 0.41 -0.41 -0.09 0.00 -2.33 0.00 0.00 43.42 40.99 1uil n LEU 8 CO 0.00 2.30 2.56 -1.84 -1.33 0.00 0.00 177.39 179.08 1uil n GLU 9 N -0.00 2.99 -1.82 3.23 0.28 -1.26 -4.85 120.64 119.21 1uil n GLU 9 Ca 0.30 -1.77 -0.21 0.00 -0.16 0.00 0.00 57.16 55.33 1uil n GLU 9 Cb 0.42 -2.44 -0.08 0.00 1.43 0.00 0.00 31.44 30.78 1uil n GLU 9 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 177.13 175.43 1uil s SER 10 N 1.95 4.32 -1.54 -1.84 1.04 -1.26 -4.79 113.70 111.59 1uil s SER 10 Ca 0.68 -0.90 -0.09 0.00 0.48 0.00 0.00 55.95 56.12 1uil s SER 10 Cb 0.25 -2.58 -0.04 0.00 0.10 0.00 0.00 66.02 63.75 1uil s SER 10 CO -0.04 -3.71 2.83 -1.84 0.98 0.00 0.00 173.24 171.46 1uil n GLU 11 N 8.47 3.92 -3.57 4.02 0.28 -1.26 -4.71 120.64 127.78 1uil n GLU 11 Ca 0.43 -2.51 -0.29 0.00 -0.16 0.00 0.00 57.16 54.63 1uil n GLU 11 Cb 0.46 -2.75 -0.13 0.00 1.43 0.00 0.00 31.44 30.45 1uil n GLU 11 CO 0.00 0.00 0.00 -2.00 -0.16 0.00 0.00 177.13 174.97 1uil s GLU 12 N 1.32 0.64 0.06 3.44 2.56 -1.26 -5.11 118.70 120.35 1uil s GLU 12 Ca 0.66 -1.24 0.04 0.00 0.00 0.00 0.00 54.97 54.43 1uil s GLU 12 Cb 0.18 -1.58 -0.03 0.00 2.00 0.00 0.00 34.13 34.70 1uil s GLU 12 CO -0.07 -1.12 -0.11 0.08 -0.56 0.00 0.00 175.26 173.48 1uil s VAL 13 N 1.25 0.88 0.20 3.70 1.01 -1.26 -4.86 120.40 121.33 1uil s VAL 13 Ca 0.15 -1.28 0.10 0.00 0.00 0.00 0.00 61.98 60.95 1uil s VAL 13 Cb -0.21 -0.95 -0.04 0.00 0.00 0.00 0.00 36.38 35.17 1uil s VAL 13 CO -0.12 -0.33 -0.15 1.51 0.00 0.00 0.00 175.10 176.01 1uil s ASP 14 N -1.79 3.89 0.00 3.32 1.47 -1.26 -5.02 116.67 117.27 1uil s ASP 14 Ca -0.04 -0.75 0.00 0.00 1.18 0.00 0.00 52.55 52.95 1uil s ASP 14 Cb -0.09 -0.50 0.00 0.00 -0.34 0.00 0.00 42.92 41.99 1uil s ASP 14 CO 0.01 0.09 0.00 0.18 0.68 0.00 0.00 175.17 176.14 1uil n LEU 15 N -0.03 0.00 0.12 2.11 4.77 -1.26 -4.37 117.00 118.34 1uil n LEU 15 Ca -0.10 0.00 -0.22 0.00 -0.03 0.00 0.00 56.01 55.66 1uil n LEU 15 Cb 0.56 -0.21 -0.14 0.00 -2.33 0.00 0.00 43.42 41.30 1uil n LEU 15 CO 0.34 -0.23 -0.14 -0.55 -1.33 0.00 0.00 177.39 175.48 1uil h ASN 16 N 0.00 0.75 -0.05 -1.43 7.08 -2.01 -3.12 115.58 116.80 1uil h ASN 16 Ca 0.00 -0.76 0.01 0.00 -3.08 0.00 0.00 56.30 52.47 1uil h ASN 16 Cb 0.00 -0.24 -0.00 0.00 -2.08 0.00 0.00 38.32 36.00 1uil h ASN 16 CO 0.00 1.59 0.11 0.00 -2.08 0.00 0.00 177.43 177.04 1uil h ALA 17 N 0.31 1.38 -0.08 4.14 0.00 -1.98 -0.64 119.26 122.39 1uil h ALA 17 Ca -0.21 -0.00 -0.11 0.00 0.00 0.00 0.00 54.91 54.59 1uil h ALA 17 Cb 2.05 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.84 1uil h ALA 17 CO 0.25 -0.13 -0.38 0.78 0.00 0.00 0.00 179.25 179.76 1uil h GLY 18 N 0.00 0.45 0.63 0.00 0.00 -1.74 -1.78 103.07 100.63 1uil h GLY 18 Ca 0.02 -0.63 0.05 0.00 0.00 0.00 0.00 47.33 46.78 1uil h GLY 18 CO -0.00 0.56 0.15 1.41 0.00 0.00 0.00 176.54 178.66 1uil h LEU 19 N -0.05 0.17 0.19 3.11 3.38 -1.17 -3.10 115.31 117.83 1uil h LEU 19 Ca -0.02 0.05 -0.01 0.00 0.09 0.00 0.00 57.88 57.98 1uil h LEU 19 Cb 1.03 0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.81 1uil h LEU 19 CO 0.08 0.13 -0.09 0.45 0.09 0.00 0.00 178.44 179.10 1uil h HIS 20 N 0.32 -0.24 0.00 1.13 3.86 -1.51 -3.50 115.15 115.22 1uil h HIS 20 Ca 0.20 -0.01 0.00 0.00 -1.16 0.00 0.00 60.37 59.40 1uil h HIS 20 Cb 0.18 0.08 0.00 0.00 1.06 0.00 0.00 27.41 28.73 1uil h HIS 20 CO -0.15 -0.15 0.00 0.41 0.86 0.00 0.00 177.93 178.90 1uil n GLY 21 N -0.93 1.59 2.14 2.45 0.00 -0.67 -4.94 105.19 104.81 1uil n GLY 21 Ca -0.03 -0.82 -0.18 0.00 0.00 0.00 0.00 46.02 44.98 1uil n GLY 21 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1uil n ASN 22 N 0.00 6.03 -4.54 1.61 2.85 -1.26 -4.86 115.26 115.09 1uil n ASN 22 Ca 0.00 -2.90 -0.43 0.00 -0.11 0.00 0.00 54.58 51.14 1uil n ASN 22 Cb 0.00 -1.24 -0.04 0.00 1.24 0.00 0.00 39.78 39.74 1uil n ASN 22 CO 0.00 0.00 0.00 0.26 -2.11 0.00 0.00 177.26 175.41 1uil s TRP 23 N -0.83 2.78 0.10 1.20 0.23 -1.26 -4.71 118.94 116.45 1uil s TRP 23 Ca 0.49 0.10 -0.00 0.00 -2.03 0.00 0.00 56.10 54.66 1uil s TRP 23 Cb 0.30 -4.12 -0.04 0.00 0.03 0.00 0.00 33.47 29.64 1uil s TRP 23 CO -0.10 -1.35 0.26 0.95 0.96 0.00 0.00 176.95 177.68 1uil s THR 24 N 4.06 5.33 0.24 2.01 -4.23 -1.26 -4.83 115.64 116.96 1uil s THR 24 Ca 0.33 -0.37 -0.08 0.00 -1.18 0.00 0.00 61.69 60.39 1uil s THR 24 Cb -0.11 -3.66 0.38 0.00 1.34 0.00 0.00 72.50 70.45 1uil s THR 24 CO 0.21 0.06 1.36 0.18 -0.54 0.00 0.00 174.62 175.89 1uil n LEU 25 N 0.03 -0.35 0.31 4.79 4.77 -1.26 0.56 117.00 125.86 1uil n LEU 25 Ca -0.05 1.51 -0.17 0.00 -0.03 0.00 0.00 56.01 57.26 1uil n LEU 25 Cb 0.52 -0.44 -0.09 0.00 -2.33 0.00 0.00 43.42 41.08 1uil n LEU 25 CO 0.51 -1.43 0.60 -0.08 -1.33 0.00 0.00 177.39 175.65 1uil h GLU 26 N 0.00 -0.88 0.07 3.23 4.22 -1.94 -0.63 114.58 118.64 1uil h GLU 26 Ca 0.40 0.06 0.01 0.00 0.08 0.00 0.00 59.36 59.91 1uil h GLU 26 Cb 0.62 0.20 -0.02 0.00 0.50 0.00 0.00 28.75 30.05 1uil h GLU 26 CO -0.90 -0.59 -0.27 -0.91 -2.18 0.00 0.00 179.01 174.16 1uil h ASN 27 N -0.92 -0.81 0.00 1.04 -0.26 -0.26 0.29 115.58 114.66 1uil h ASN 27 Ca -0.06 0.08 0.00 0.00 -0.56 0.00 0.00 56.30 55.76 1uil h ASN 27 Cb 0.77 0.30 0.00 0.00 -1.06 0.00 0.00 38.32 38.33 1uil h ASN 27 CO 0.02 -0.29 0.00 0.00 -1.06 0.00 0.00 177.43 176.10 1uil n ALA 28 N -2.69 0.00 -0.14 -0.83 0.00 0.17 0.10 120.51 117.13 1uil n ALA 28 Ca -0.04 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.40 1uil n ALA 28 Cb 0.21 0.38 0.00 0.00 0.00 0.00 0.00 19.45 20.04 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 -2.20 0.00 -0.10 0.00 4.81 -0.25 0.44 118.16 120.86 1uil n LYS 29 Ca 0.00 0.91 -0.03 0.00 -0.87 0.00 0.00 58.31 58.32 1uil n LYS 29 Cb 0.00 -1.43 -0.02 0.00 0.02 0.00 0.00 35.03 33.59 1uil n LYS 29 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1uil n ALA 30 N -2.68 -0.16 -0.27 3.14 0.00 0.10 0.11 120.51 120.76 1uil n ALA 30 Ca 0.00 0.21 -0.01 0.00 0.00 0.00 0.00 53.44 53.64 1uil n ALA 30 Cb 0.00 0.21 0.05 0.00 0.00 0.00 0.00 19.45 19.71 1uil n ALA 30 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1uil h ARG 31 N 0.00 -0.06 -0.98 0.00 2.47 0.17 0.28 114.38 116.26 1uil h ARG 31 Ca 0.04 0.00 0.16 0.00 -1.26 0.00 0.00 59.98 58.93 1uil h ARG 31 Cb 0.10 0.01 -0.17 0.00 -1.65 0.00 0.00 29.97 28.27 1uil h ARG 31 CO -0.23 -0.04 -0.35 1.25 0.56 0.00 0.00 179.97 181.17 1uil h LEU 32 N -0.06 -1.28 -0.65 3.04 5.85 0.59 1.69 115.31 124.49 1uil h LEU 32 Ca 0.32 0.30 0.07 0.00 0.84 0.00 0.00 57.88 59.41 1uil h LEU 32 Cb 0.58 0.71 -0.06 0.00 0.37 0.00 0.00 40.66 42.26 1uil h LEU 32 CO -0.80 -0.30 0.34 0.78 -0.34 0.00 0.00 178.44 178.12 1uil h ASN 33 N -0.01 0.48 -0.37 1.25 2.35 0.46 -0.39 115.58 119.34 1uil h ASN 33 Ca 0.38 0.04 -0.00 0.00 -0.55 0.00 0.00 56.30 56.17 1uil h ASN 33 Cb 0.63 -0.05 -0.02 0.00 0.05 0.00 0.00 38.32 38.93 1uil h ASN 33 CO -0.99 0.30 0.22 1.56 -1.65 0.00 0.00 177.43 176.88 1uil h GLN 34 N 0.62 0.51 -0.68 0.81 1.08 0.28 0.26 115.11 118.00 1uil h GLN 34 Ca 0.30 -0.05 0.06 0.00 -1.45 0.00 0.00 58.65 57.51 1uil h GLN 34 Cb 0.23 -0.11 -0.04 0.00 -0.05 0.00 0.00 27.48 27.51 1uil h GLN 34 CO -0.21 0.39 0.45 -0.92 -0.95 0.00 0.00 178.83 177.59 1uil h TYR 35 N 0.49 0.70 0.00 2.96 3.20 0.15 0.54 116.97 125.02 1uil h TYR 35 Ca 0.13 0.02 0.00 0.00 3.14 0.00 0.00 58.73 62.02 1uil h TYR 35 Cb 0.01 -0.23 0.00 0.00 1.54 0.00 0.00 36.73 38.05 1uil h TYR 35 CO -0.04 0.38 0.00 0.74 -1.64 0.00 0.00 178.16 177.60 1uil h PHE 36 N 0.70 0.00 0.02 -3.82 0.04 -0.44 -2.43 116.94 111.00 1uil h PHE 36 Ca 0.29 0.00 -0.17 0.00 2.80 0.00 0.00 57.97 60.89 1uil h PHE 36 Cb 0.25 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 38.38 1uil h PHE 36 CO -0.00 0.00 -0.90 1.96 -0.60 0.00 0.00 178.31 178.76 1uil h GLN 37 N 0.00 0.03 0.75 1.51 4.20 0.13 0.62 115.11 122.35 1uil h GLN 37 Ca 0.00 -0.06 -0.04 0.00 0.06 0.00 0.00 58.65 58.62 1uil h GLN 37 Cb 0.93 0.02 0.01 0.00 0.30 0.00 0.00 27.48 28.73 1uil h GLN 37 CO 0.00 1.03 -0.36 0.87 -0.67 0.00 0.00 178.83 179.70 1uil h LYS 38 N -0.90 -0.97 0.00 1.46 6.56 -0.14 -2.34 116.57 120.24 1uil h LYS 38 Ca -0.24 0.07 0.00 0.00 -1.06 0.00 0.00 60.65 59.42 1uil h LYS 38 Cb 1.28 0.22 0.00 0.00 -0.57 0.00 0.00 32.23 33.16 1uil h LYS 38 CO -0.11 -0.63 0.00 0.39 -2.06 0.00 0.00 179.45 177.04 1uil n GLU 39 N -5.49 0.19 -1.89 3.15 -0.58 -0.92 -4.85 120.64 110.24 1uil n GLU 39 Ca -0.14 0.42 -0.11 0.00 -0.42 0.00 0.00 57.16 56.91 1uil n GLU 39 Cb 0.41 -1.86 -0.02 0.00 -0.57 0.00 0.00 31.44 29.40 1uil n GLU 39 CO 0.00 0.00 0.00 1.63 -0.48 0.00 0.00 177.13 178.28 1uil n LYS 40 N -2.22 -0.82 -1.97 3.49 4.76 -0.77 -5.00 118.16 115.63 1uil n LYS 40 Ca 0.02 0.65 -0.30 0.00 -2.87 0.00 0.00 58.31 55.81 1uil n LYS 40 Cb 0.23 -4.70 0.04 0.00 -1.84 0.00 0.00 35.03 28.76 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 -2.49 3.53 -0.05 -0.18 1.01 0.21 -4.93 121.20 118.29 1uil s ILE 41 Ca 0.00 0.41 0.02 0.00 0.00 0.00 0.00 60.65 61.08 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 -0.61 -0.09 -1.10 0.00 0.00 0.00 174.94 173.14 1uil s GLN 42 N -5.30 1.28 -0.29 2.79 -0.21 -1.26 -4.48 119.66 112.19 1uil s GLN 42 Ca 0.57 -0.29 -0.15 0.00 0.02 0.00 0.00 55.36 55.51 1uil s GLN 42 Cb -0.11 -1.12 0.12 0.00 1.00 0.00 0.00 33.01 32.89 1uil s GLN 42 CO 0.51 0.00 0.83 0.20 -2.12 0.00 0.00 175.29 174.71 1uil s GLY 43 N 0.68 -0.33 0.30 3.09 0.00 -1.26 -5.05 107.32 104.75 1uil s GLY 43 Ca -0.12 2.78 0.02 0.00 0.00 0.00 0.00 44.72 47.40 1uil s GLY 43 CO 0.02 2.60 0.13 -1.84 0.00 0.00 0.00 173.10 174.01 1uil n GLU 44 N 4.18 1.15 -4.66 2.90 0.28 -1.26 -5.09 120.64 118.14 1uil n GLU 44 Ca -0.18 -2.04 -0.33 0.00 -0.16 0.00 0.00 57.16 54.45 1uil n GLU 44 Cb 0.57 0.37 -0.13 0.00 1.43 0.00 0.00 31.44 33.68 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 -1.77 2.88 -0.46 -1.84 1.51 -1.26 -4.63 117.35 111.77 1uil s TYR 45 Ca 0.10 -0.38 -0.14 0.00 -1.01 0.00 0.00 57.07 55.64 1uil s TYR 45 Cb -0.01 -1.83 0.08 0.00 -0.11 0.00 0.00 41.96 40.09 1uil s TYR 45 CO 0.06 -0.02 0.37 0.21 -1.11 0.00 0.00 175.55 175.06 1uil s LYS 46 N 0.04 2.90 -0.22 -0.62 2.47 0.96 -4.89 119.74 120.38 1uil s LYS 46 Ca -0.03 -1.38 -0.20 0.00 -1.56 0.00 0.00 55.97 52.80 1uil s LYS 46 Cb -0.14 -4.07 -0.03 0.00 -1.46 0.00 0.00 37.83 32.14 1uil s LYS 46 CO 0.04 -1.02 0.59 0.71 0.16 0.00 0.00 175.35 175.83 1uil s TYR 47 N 1.60 3.34 -0.23 4.03 2.02 -1.25 -0.05 117.35 126.81 1uil s TYR 47 Ca 0.04 0.84 -0.03 0.00 -0.37 0.00 0.00 57.07 57.54 1uil s TYR 47 Cb -0.24 -2.77 0.00 0.00 -0.40 0.00 0.00 41.96 38.55 1uil s TYR 47 CO 0.06 -0.21 -0.05 0.99 -1.57 0.00 0.00 175.55 174.77 1uil s THR 48 N 2.04 3.20 -0.29 -0.71 2.01 0.24 -4.79 115.64 117.35 1uil s THR 48 Ca 0.26 -0.65 -0.28 0.00 0.31 0.00 0.00 61.69 61.33 1uil s THR 48 Cb -0.16 -2.49 0.01 0.00 0.01 0.00 0.00 72.50 69.87 1uil s THR 48 CO 0.10 0.37 1.04 -1.58 -0.69 0.00 0.00 174.62 173.85 1uil s GLN 49 N 1.44 4.13 0.52 4.92 0.74 -1.26 0.20 119.66 130.35 1uil s GLN 49 Ca 0.04 1.13 0.01 0.00 0.05 0.00 0.00 55.36 56.60 1uil s GLN 49 Cb -0.15 -3.70 0.01 0.00 1.10 0.00 0.00 33.01 30.27 1uil s GLN 49 CO -0.04 -0.78 0.09 1.33 -0.55 0.00 0.00 175.29 175.34 1uil n VAL 50 N 5.64 0.00 -0.98 1.34 0.24 -1.09 -4.97 118.33 118.51 1uil n VAL 50 Ca 0.11 -2.38 0.12 0.00 -2.04 0.00 0.00 64.34 60.16 1uil n VAL 50 Cb 0.47 0.38 -0.03 0.00 -1.47 0.00 0.00 33.84 33.19 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 -1.25 -1.18 3.81 7.63 0.00 -1.26 -3.12 105.19 109.83 1uil n GLY 51 Ca -0.17 -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 -1.73 3.31 0.12 1.61 0.04 -1.17 -4.70 135.00 132.47 1uil s PRO 52 Ca 0.00 1.13 -0.25 0.00 0.04 0.00 0.00 61.00 61.92 1uil s PRO 52 Cb 0.00 -2.03 -0.06 0.00 0.04 0.00 0.00 34.50 32.45 1uil s PRO 52 CO 0.00 -0.81 1.65 -0.44 0.04 0.00 0.00 177.00 177.44 1uil h ASP 53 N 0.26 -0.60 -1.00 6.66 5.19 -1.97 0.49 116.42 125.44 1uil h ASP 53 Ca -0.46 0.09 0.34 0.00 -0.62 0.00 0.00 57.03 56.37 1uil h ASP 53 Cb 1.21 0.25 -0.15 0.00 0.18 0.00 0.00 39.33 40.82 1uil h ASP 53 CO 0.58 -0.27 0.55 1.12 -3.12 0.00 0.00 179.24 178.10 1uil h HIS 54 N -0.33 0.90 -2.15 4.55 2.07 -1.98 -3.14 115.15 115.06 1uil h HIS 54 Ca 0.06 0.04 -0.48 0.00 -2.85 0.00 0.00 60.37 57.13 1uil h HIS 54 Cb 0.41 -0.23 -0.34 0.00 2.57 0.00 0.00 27.41 29.82 1uil h HIS 54 CO -0.25 -0.23 -0.82 1.21 -3.07 0.00 0.00 177.93 174.76 1uil s ASN 55 N -4.84 1.33 0.30 3.10 3.84 -0.21 -5.13 114.94 113.34 1uil s ASN 55 Ca -0.10 -2.38 0.00 0.00 0.21 0.00 0.00 52.86 50.60 1uil s ASN 55 Cb 0.31 0.09 0.00 0.00 -0.55 0.00 0.00 41.25 41.10 1uil s ASN 55 CO 0.79 -0.21 0.02 -2.11 -2.79 0.00 0.00 177.10 172.80 1uil n ARG 56 N 3.43 1.25 -3.60 0.43 1.85 0.15 -3.05 116.66 117.14 1uil n ARG 56 Ca 0.20 -2.19 -0.01 0.00 -1.00 0.00 0.00 57.85 54.86 1uil n ARG 56 Cb 0.46 0.56 -0.04 0.00 -1.05 0.00 0.00 32.46 32.39 1uil n ARG 56 CO 0.00 0.00 0.00 -1.54 -0.01 0.00 0.00 177.63 176.08 1uil s SER 57 N -2.67 -1.01 -0.42 2.89 1.04 -1.18 -4.99 113.70 107.37 1uil s SER 57 Ca 0.01 1.40 -0.29 0.00 0.48 0.00 0.00 55.95 57.55 1uil s SER 57 Cb -0.00 2.12 0.01 0.00 0.10 0.00 0.00 66.02 68.24 1uil s SER 57 CO 0.01 -0.20 1.42 -0.36 0.98 0.00 0.00 173.24 175.09 1uil s PHE 58 N 2.73 2.38 -0.60 5.02 0.40 -1.26 -2.66 117.98 124.00 1uil s PHE 58 Ca -0.05 0.67 -0.28 0.00 -0.60 0.00 0.00 56.93 56.66 1uil s PHE 58 Cb -0.10 -4.32 0.02 0.00 0.51 0.00 0.00 43.02 39.13 1uil s PHE 58 CO -0.19 -2.00 1.31 0.42 0.70 0.00 0.00 175.22 175.46 1uil s ILE 59 N 5.48 3.86 -0.44 0.64 1.01 0.54 -3.99 121.20 128.31 1uil s ILE 59 Ca 0.61 0.71 -0.23 0.00 0.00 0.00 0.00 60.65 61.75 1uil s ILE 59 Cb -0.14 -4.64 0.02 0.00 0.01 0.00 0.00 42.46 37.72 1uil s ILE 59 CO 0.33 -1.37 0.75 0.00 0.00 0.00 0.00 174.94 174.65 1uil s ALA 60 N 5.59 3.31 0.00 9.38 0.00 -0.98 0.83 121.76 139.90 1uil s ALA 60 Ca 0.45 -1.02 0.06 0.00 0.00 0.00 0.00 51.96 51.46 1uil s ALA 60 Cb -0.09 -3.43 -0.03 0.00 0.00 0.00 0.00 23.12 19.58 1uil s ALA 60 CO 0.23 -1.86 -0.19 -1.83 0.00 0.00 0.00 175.76 172.11 1uil s GLU 61 N 3.18 2.18 0.01 0.00 -1.05 0.93 -2.31 118.70 121.64 1uil s GLU 61 Ca 0.28 -0.90 -0.02 0.00 -0.15 0.00 0.00 54.97 54.19 1uil s GLU 61 Cb -0.13 -2.20 -0.01 0.00 -0.44 0.00 0.00 34.13 31.35 1uil s GLU 61 CO 0.21 0.57 0.02 1.41 0.95 0.00 0.00 175.26 178.42 1uil s MET 62 N -1.07 0.34 -0.01 -4.83 1.75 -0.50 -0.03 119.30 114.96 1uil s MET 62 Ca 0.13 -0.52 0.00 0.00 -1.25 0.00 0.00 55.69 54.05 1uil s MET 62 Cb -0.10 0.13 0.01 0.00 2.84 0.00 0.00 34.83 37.70 1uil s MET 62 CO 0.03 -0.06 0.00 0.99 -0.65 0.00 0.00 175.02 175.32 1uil s THR 63 N -1.36 0.03 0.05 10.11 2.01 -1.26 0.11 115.64 125.32 1uil s THR 63 Ca -0.15 0.03 0.00 0.00 0.31 0.00 0.00 61.69 61.89 1uil s THR 63 Cb -0.09 -0.06 -0.03 0.00 0.01 0.00 0.00 72.50 72.33 1uil s THR 63 CO -0.00 0.03 -0.05 0.27 -0.69 0.00 0.00 174.62 174.19 1uil s ILE 64 N 0.27 0.34 -0.05 1.82 -4.36 -0.13 -4.90 121.20 114.19 1uil s ILE 64 Ca -0.02 -1.43 0.06 0.00 -0.26 0.00 0.00 60.65 58.99 1uil s ILE 64 Cb -0.04 -1.01 -0.02 0.00 1.25 0.00 0.00 42.46 42.65 1uil s ILE 64 CO -0.01 -0.71 -0.21 -0.47 0.24 0.00 0.00 174.94 173.78 1uil s TYR 65 N -2.66 2.51 -0.22 1.37 6.14 -1.26 0.03 117.35 123.25 1uil s TYR 65 Ca -0.02 -0.42 -0.03 0.00 0.64 0.00 0.00 57.07 57.24 1uil s TYR 65 Cb -0.01 -1.59 -0.00 0.00 0.42 0.00 0.00 41.96 40.78 1uil s TYR 65 CO -0.04 -0.01 -0.05 0.42 0.64 0.00 0.00 175.55 176.50 1uil s ILE 66 N -0.49 3.24 0.08 3.14 -1.09 0.28 -4.95 121.20 121.40 1uil s ILE 66 Ca 0.06 -0.57 -0.10 0.00 -2.23 0.00 0.00 60.65 57.82 1uil s ILE 66 Cb -0.11 -2.48 -0.27 0.00 -1.58 0.00 0.00 42.46 38.02 1uil s ILE 66 CO 0.01 0.41 1.16 0.07 -1.23 0.00 0.00 174.94 175.36 1uil h LYS 67 N 8.10 0.49 0.00 2.79 2.10 -1.95 0.23 116.57 128.33 1uil h LYS 67 Ca -0.41 -0.66 0.00 0.00 -2.00 0.00 0.00 60.65 57.58 1uil h LYS 67 Cb 1.15 0.22 0.00 0.00 -0.90 0.00 0.00 32.23 32.70 1uil h LYS 67 CO 0.61 1.28 0.00 -0.56 -2.00 0.00 0.00 179.45 178.78 1uil h GLN 68 N 0.21 0.00 0.00 0.07 3.07 -1.93 -2.42 115.11 114.11 1uil h GLN 68 Ca -0.15 0.00 -0.31 0.00 0.09 0.00 0.00 58.65 58.27 1uil h GLN 68 Cb 1.86 0.00 -0.06 0.00 0.08 0.00 0.00 27.48 29.36 1uil h GLN 68 CO 0.21 0.00 -2.19 1.28 0.09 0.00 0.00 178.83 178.22 1uil n LEU 69 N -2.74 2.41 0.00 0.06 4.77 -1.16 -5.01 117.00 115.33 1uil n LEU 69 Ca -0.01 -0.09 0.00 0.00 -0.03 0.00 0.00 56.01 55.87 1uil n LEU 69 Cb 0.12 -0.52 0.00 0.00 -2.33 0.00 0.00 43.42 40.69 1uil n LEU 69 CO 0.18 0.77 0.00 0.61 -1.33 0.00 0.00 177.39 177.62 1uil n GLY 70 N 2.39 0.89 0.67 -0.72 0.00 0.75 -5.05 105.19 104.12 1uil n GLY 70 Ca -0.35 -0.01 -0.04 0.00 0.00 0.00 0.00 46.02 45.61 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 -2.22 0.09 -3.95 1.61 -4.01 -0.78 -5.00 116.66 102.40 1uil n ARG 71 Ca 0.00 -0.68 -0.10 0.00 -1.04 0.00 0.00 57.85 56.04 1uil n ARG 71 Cb 0.00 0.57 -0.11 0.00 -3.04 0.00 0.00 32.46 29.88 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 -2.27 0.33 0.17 2.89 1.70 -1.26 0.99 118.95 121.51 1uil s ARG 72 Ca 0.08 -0.52 0.08 0.00 -0.47 0.00 0.00 55.73 54.90 1uil s ARG 72 Cb 0.00 0.13 -0.04 0.00 -0.57 0.00 0.00 34.95 34.47 1uil s ARG 72 CO 0.06 -0.06 -0.05 0.96 -1.08 0.00 0.00 175.30 175.12 1uil s ILE 73 N -1.36 3.44 0.07 4.99 -4.36 0.10 -4.96 121.20 119.13 1uil s ILE 73 Ca -0.15 -1.53 0.04 0.00 -0.26 0.00 0.00 60.65 58.75 1uil s ILE 73 Cb -0.09 -2.71 -0.03 0.00 1.25 0.00 0.00 42.46 40.88 1uil s ILE 73 CO -0.00 -0.10 -0.11 0.12 0.24 0.00 0.00 174.94 175.09 1uil s PHE 74 N -1.68 1.04 0.07 1.37 2.19 -1.26 -0.96 117.98 118.74 1uil s PHE 74 Ca 0.26 -0.54 0.01 0.00 0.33 0.00 0.00 56.93 56.99 1uil s PHE 74 Cb -0.09 -0.58 -0.04 0.00 -1.31 0.00 0.00 43.02 41.00 1uil s PHE 74 CO 0.17 0.01 -0.06 0.00 1.83 0.00 0.00 175.22 177.17 1uil s ALA 75 N -1.73 0.75 -0.30 11.12 0.00 0.29 -4.90 121.76 126.99 1uil s ALA 75 Ca -0.01 -1.20 -0.06 0.00 0.00 0.00 0.00 51.96 50.69 1uil s ALA 75 Cb -0.07 0.18 0.19 0.00 0.00 0.00 0.00 23.12 23.41 1uil s ALA 75 CO 0.01 -0.24 0.92 0.50 0.00 0.00 0.00 175.76 176.95 1uil s ARG 76 N -3.45 0.26 0.55 0.00 3.52 -1.26 -1.41 118.95 117.16 1uil s ARG 76 Ca 0.06 0.23 0.04 0.00 -0.13 0.00 0.00 55.73 55.93 1uil s ARG 76 Cb 0.03 0.11 0.03 0.00 -1.56 0.00 0.00 34.95 33.57 1uil s ARG 76 CO -0.05 -0.49 0.31 -1.21 -0.81 0.00 0.00 175.30 173.05 1uil s GLU 77 N 2.86 2.24 -0.48 5.12 0.41 -0.98 -4.97 118.70 122.91 1uil s GLU 77 Ca 0.22 -2.14 0.08 0.00 -0.41 0.00 0.00 54.97 52.72 1uil s GLU 77 Cb -0.04 -1.95 0.29 0.00 -1.78 0.00 0.00 34.13 30.65 1uil s GLU 77 CO -0.23 -0.59 0.70 -2.39 -0.49 0.00 0.00 175.26 172.26 1uil n HIS 78 N -1.67 1.46 -0.62 1.61 1.44 -1.26 -2.33 115.22 113.86 1uil n HIS 78 Ca -0.07 -3.84 -0.22 0.00 -2.01 0.00 0.00 57.72 51.58 1uil n HIS 78 Cb 0.65 -0.44 0.20 0.00 0.12 0.00 0.00 29.99 30.52 1uil n HIS 78 CO 0.00 0.00 0.00 0.41 -2.81 0.00 0.00 176.34 173.94 1uil n GLY 79 N 0.73 -3.16 0.04 -1.39 0.00 -1.26 -4.92 105.19 95.24 1uil n GLY 79 Ca 0.26 -1.40 -0.02 0.00 0.00 0.00 0.00 46.02 44.86 1uil n GLY 79 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1uil h SER 80 N -2.64 0.00 -2.09 1.61 0.02 -1.91 -3.37 113.55 105.18 1uil h SER 80 Ca -0.30 0.00 -0.49 0.00 -0.84 0.00 0.00 61.79 60.16 1uil h SER 80 Cb 0.94 0.00 -0.04 0.00 0.14 0.00 0.00 62.40 63.44 1uil h SER 80 CO 0.19 0.47 -0.49 0.20 -1.14 0.00 0.00 176.83 176.06 1uil s ASN 81 N -5.03 5.56 0.17 3.07 0.01 -1.26 -4.37 114.94 113.08 1uil s ASN 81 Ca -0.06 -0.28 -0.26 0.00 -0.71 0.00 0.00 52.86 51.55 1uil s ASN 81 Cb 0.01 -1.33 0.03 0.00 0.41 0.00 0.00 41.25 40.37 1uil s ASN 81 CO 0.08 -0.14 1.57 0.11 -1.51 0.00 0.00 177.10 177.21 1uil h LYS 82 N 1.37 -0.22 -0.06 -0.60 1.57 -1.93 0.33 116.57 117.04 1uil h LYS 82 Ca -0.48 0.01 0.01 0.00 -1.87 0.00 0.00 60.65 58.33 1uil h LYS 82 Cb 1.24 0.05 -0.01 0.00 0.08 0.00 0.00 32.23 33.59 1uil h LYS 82 CO 0.60 -0.15 -0.09 -0.22 -0.57 0.00 0.00 179.45 179.02 1uil h LYS 83 N -0.23 -0.07 -0.07 3.15 1.63 -1.98 0.41 116.57 119.41 1uil h LYS 83 Ca 0.18 0.00 0.01 0.00 -0.85 0.00 0.00 60.65 59.99 1uil h LYS 83 Cb 0.56 0.02 -0.01 0.00 -0.60 0.00 0.00 32.23 32.20 1uil h LYS 83 CO -0.69 -0.05 -0.06 -0.07 -3.45 0.00 0.00 179.45 175.13 1uil h LEU 84 N -0.07 -0.20 -0.86 5.20 3.38 -1.74 0.80 115.31 121.81 1uil h LEU 84 Ca 0.01 0.03 0.31 0.00 0.09 0.00 0.00 57.88 58.32 1uil h LEU 84 Cb 0.10 0.09 -0.16 0.00 0.09 0.00 0.00 40.66 40.78 1uil h LEU 84 CO -0.09 -0.03 0.27 0.00 0.09 0.00 0.00 178.44 178.67 1uil n ALA 85 N -2.88 0.69 0.26 1.53 0.00 0.11 0.13 120.51 120.35 1uil n ALA 85 Ca -0.00 0.90 -0.14 0.00 0.00 0.00 0.00 53.44 54.19 1uil n ALA 85 Cb 0.03 -0.79 -0.08 0.00 0.00 0.00 0.00 19.45 18.62 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 1.72 -0.68 -0.55 0.00 0.00 0.46 -2.05 119.26 118.15 1uil h ALA 86 Ca 0.64 -0.19 0.06 0.00 0.00 0.00 0.00 54.91 55.42 1uil h ALA 86 Cb 1.56 0.26 -0.09 0.00 0.00 0.00 0.00 17.79 19.52 1uil h ALA 86 CO -0.73 -0.75 -0.56 1.96 0.00 0.00 0.00 179.25 179.18 1uil h GLN 87 N -0.96 -0.29 -0.50 0.00 4.20 0.71 0.30 115.11 118.58 1uil h GLN 87 Ca -0.07 0.02 0.09 0.00 0.06 0.00 0.00 58.65 58.75 1uil h GLN 87 Cb 0.61 0.07 -0.10 0.00 0.30 0.00 0.00 27.48 28.35 1uil h GLN 87 CO 0.11 -0.19 -0.31 0.77 -0.67 0.00 0.00 178.83 178.54 1uil h SER 88 N -0.30 -1.06 0.03 1.46 0.02 -0.85 0.11 113.55 112.96 1uil h SER 88 Ca 0.10 0.20 0.01 0.00 -0.84 0.00 0.00 61.79 61.27 1uil h SER 88 Cb 0.56 0.52 -0.04 0.00 0.14 0.00 0.00 62.40 63.58 1uil h SER 88 CO -0.68 -0.30 -0.38 0.00 -1.14 0.00 0.00 176.83 174.34 1uil n ALA 90 N -2.81 -0.03 -0.38 0.00 0.00 0.88 0.13 120.51 118.29 1uil n ALA 90 Ca -0.05 0.00 0.35 0.00 0.00 0.00 0.00 53.44 53.74 1uil n ALA 90 Cb 0.28 0.47 0.62 0.00 0.00 0.00 0.00 19.45 20.82 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 0.27 -0.09 0.00 5.85 -0.57 1.37 115.31 122.14 1uil h LEU 91 Ca 0.00 0.22 0.04 0.00 0.84 0.00 0.00 57.88 58.97 1uil h LEU 91 Cb 0.00 0.23 -0.04 0.00 0.37 0.00 0.00 40.66 41.22 1uil h LEU 91 CO 0.00 -0.37 -0.15 -1.28 -0.34 0.00 0.00 178.44 176.31 1uil h SER 92 N 0.01 -0.44 -0.31 1.25 0.87 0.42 0.55 113.55 115.89 1uil h SER 92 Ca 0.86 0.08 -0.05 0.00 -1.23 0.00 0.00 61.79 61.45 1uil h SER 92 Cb 2.48 0.21 -0.01 0.00 -0.44 0.00 0.00 62.40 64.63 1uil h SER 92 CO -0.65 -0.19 -0.01 -0.07 -0.53 0.00 0.00 176.83 175.37 1uil h LEU 93 N -0.20 0.55 0.17 2.23 -0.00 0.28 -2.56 115.31 115.79 1uil h LEU 93 Ca 0.08 -0.32 0.00 0.00 -0.00 0.00 0.00 57.88 57.64 1uil h LEU 93 Cb 0.31 -0.15 -0.03 0.00 -0.00 0.00 0.00 40.66 40.80 1uil h LEU 93 CO -0.21 0.73 -0.37 0.58 -0.00 0.00 0.00 178.44 179.18 1uil h VAL 94 N 0.34 0.00 -0.80 1.22 2.07 -0.15 0.46 116.25 119.39 1uil h VAL 94 Ca 0.09 0.00 0.11 0.00 0.82 0.00 0.00 66.70 67.71 1uil h VAL 94 Cb 0.46 0.00 -0.13 0.00 -1.52 0.00 0.00 31.29 30.11 1uil h VAL 94 CO 0.02 0.00 -0.46 0.03 0.02 0.00 0.00 177.57 177.18 1uil h ARG 95 N -0.59 -0.10 -0.08 1.57 3.08 0.09 0.16 114.38 118.51 1uil h ARG 95 Ca -0.02 0.01 0.04 0.00 0.07 0.00 0.00 59.98 60.08 1uil h ARG 95 Cb 0.56 0.02 -0.05 0.00 0.08 0.00 0.00 29.97 30.58 1uil h ARG 95 CO -0.15 -0.07 -0.23 1.96 -1.07 0.00 0.00 179.97 180.41 1uil h GLN 96 N -0.11 -0.30 -0.46 0.04 7.50 -1.01 -0.58 115.11 120.19 1uil h GLN 96 Ca 0.23 0.02 0.07 0.00 0.50 0.00 0.00 58.65 59.46 1uil h GLN 96 Cb 0.54 0.07 -0.09 0.00 0.05 0.00 0.00 27.48 28.05 1uil h GLN 96 CO -0.84 -0.20 -0.49 -0.07 -1.50 0.00 0.00 178.83 175.73 1uil h LEU 97 N -0.32 -1.66 -0.01 1.46 3.38 0.25 0.12 115.31 118.54 1uil h LEU 97 Ca 0.09 0.24 0.02 0.00 0.09 0.00 0.00 57.88 58.31 1uil h LEU 97 Cb 0.44 0.71 -0.05 0.00 0.09 0.00 0.00 40.66 41.85 1uil h LEU 97 CO -0.26 -0.37 -0.44 0.22 0.09 0.00 0.00 178.44 177.67 1uil h TYR 98 N -0.33 -1.30 -0.79 1.13 3.20 -0.29 0.32 116.97 118.90 1uil h TYR 98 Ca 0.12 0.04 0.09 0.00 3.14 0.00 0.00 58.73 62.12 1uil h TYR 98 Cb 0.58 0.57 -0.12 0.00 1.54 0.00 0.00 36.73 39.31 1uil h TYR 98 CO -0.70 -0.47 -0.52 1.12 -1.64 0.00 0.00 178.16 175.95 1uil h HIS 99 N -0.55 -1.62 -0.42 -3.82 2.07 -0.33 0.36 115.15 110.85 1uil h HIS 99 Ca 0.01 0.11 0.09 0.00 -2.85 0.00 0.00 60.37 57.72 1uil h HIS 99 Cb 0.59 0.81 -0.08 0.00 2.57 0.00 0.00 27.41 31.30 1uil h HIS 99 CO -0.50 -0.41 -0.14 -0.07 -3.07 0.00 0.00 177.93 173.74 1uil h LEU 100 N -0.13 -0.49 0.00 6.12 3.38 -0.22 -3.46 115.31 120.51 1uil h LEU 100 Ca 0.17 0.14 0.00 0.00 0.09 0.00 0.00 57.88 58.28 1uil h LEU 100 Cb 0.51 0.30 0.00 0.00 0.09 0.00 0.00 40.66 41.56 1uil h LEU 100 CO -0.83 -0.17 0.00 0.61 0.09 0.00 0.00 178.44 178.14 1uil n GLY 101 N -1.34 0.89 0.11 0.83 0.00 0.13 -5.06 105.19 100.75 1uil n GLY 101 Ca 0.03 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.90 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 1.26 -4.13 1.61 0.31 -0.15 -4.99 118.33 112.23 1uil n VAL 102 Ca 0.00 -0.48 -0.23 0.00 -0.01 0.00 0.00 64.34 63.61 1uil n VAL 102 Cb 0.00 -1.27 -0.07 0.00 -0.91 0.00 0.00 33.84 31.60 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 -2.44 3.03 -0.01 2.52 -4.36 -1.25 -4.95 121.20 113.73 1uil s ILE 103 Ca -0.29 -1.73 0.06 0.00 -0.26 0.00 0.00 60.65 58.43 1uil s ILE 103 Cb 0.08 -2.96 -0.03 0.00 1.25 0.00 0.00 42.46 40.80 1uil s ILE 103 CO 0.51 -0.20 -0.18 -1.83 0.24 0.00 0.00 174.94 173.48 1uil s GLU 104 N -3.82 2.27 0.44 0.37 -1.05 -1.26 -4.52 118.70 111.13 1uil s GLU 104 Ca 0.37 -0.85 -0.20 0.00 -0.15 0.00 0.00 54.97 54.14 1uil s GLU 104 Cb -0.03 -2.24 -0.15 0.00 -0.44 0.00 0.00 34.13 31.27 1uil s GLU 104 CO 0.22 0.58 0.03 0.00 0.95 0.00 0.00 175.26 177.04 1uil n ALA 105 N 2.06 -2.95 -1.00 -0.84 0.00 -1.26 -4.94 120.51 111.57 1uil n ALA 105 Ca -0.17 0.05 0.00 0.00 0.00 0.00 0.00 53.44 53.33 1uil n ALA 105 Cb 0.52 -1.46 0.00 0.00 0.00 0.00 0.00 19.45 18.50 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 -1.21 -1.71 0.00 0.00 9.36 -1.26 -4.98 117.16 117.36 1uil n TYR 106 Ca 0.10 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.32 1uil n TYR 106 Cb 0.43 0.00 0.00 0.00 -0.63 0.00 0.00 39.34 39.14 1uil n TYR 106 CO 0.00 0.00 0.00 0.43 0.22 0.00 0.00 176.86 177.51 1uil n SER 107 N -1.43 0.00 -1.95 2.98 7.64 -1.26 -4.73 113.62 114.87 1uil n SER 107 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 1uil n SER 107 Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 1uil n SER 107 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 1uil n SER 108 N 0.00 -8.40 -4.47 6.43 2.88 -1.26 -4.85 113.62 103.96 1uil n SER 108 Ca 0.00 1.28 -0.36 0.00 -1.33 0.00 0.00 58.87 58.46 1uil n SER 108 Cb 0.00 -4.73 0.07 0.00 -0.75 0.00 0.00 64.21 58.79 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 1.75 -1.47 3.59 0.46 0.00 -1.26 -4.84 105.19 103.41 1uil n GLY 109 Ca 0.00 -0.35 -0.42 0.00 0.00 0.00 0.00 46.02 45.24 1uil n GLY 109 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1uil s PRO 110 N -2.70 3.41 -0.38 1.61 0.04 -1.26 -4.89 135.00 130.82 1uil s PRO 110 Ca 0.66 0.75 0.06 0.00 0.04 0.00 0.00 61.00 62.51 1uil s PRO 110 Cb -0.36 -4.09 0.18 0.00 0.04 0.00 0.00 34.50 30.28 1uil s PRO 110 CO 0.57 -1.78 0.65 0.45 0.04 0.00 0.00 177.00 176.93 1uil s SER 111 N 4.42 -1.47 0.40 6.66 0.15 -1.26 -5.01 113.70 117.59 1uil s SER 111 Ca 0.59 -0.56 0.00 0.00 0.70 0.00 0.00 55.95 56.68 1uil s SER 111 Cb -0.13 1.88 0.00 0.00 -1.71 0.00 0.00 66.02 66.06 1uil s SER 111 CO 0.29 -0.18 0.00 -0.24 1.20 0.00 0.00 173.24 174.31 1uil n SER 112 N 4.56 -3.62 0.00 5.45 2.88 -1.26 -5.25 113.62 116.39 1uil n SER 112 Ca 0.10 0.84 0.00 0.00 -1.33 0.00 0.00 58.87 58.48 1uil n SER 112 Cb 0.57 3.43 0.00 0.00 -0.75 0.00 0.00 64.21 67.46 1uil n SER 112 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42