#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1odl n PRO 3 N 0.00 1.39 0.05 -1.46 -0.02 -1.25 -4.93 135.00 128.77 1odl n PRO 3 Ca 0.00 0.50 -0.12 0.00 -2.02 0.00 0.00 63.50 61.85 1odl n PRO 3 Cb 0.00 -2.07 -0.08 0.00 -0.02 0.00 0.00 33.50 31.33 1odl n PRO 3 CO 0.00 0.00 0.00 0.82 1.98 0.00 0.00 175.50 178.30 1odl h ILE 4 N 1.57 1.03 0.00 4.25 2.04 -1.99 -3.33 117.51 121.08 1odl h ILE 4 Ca -0.45 -0.17 -0.29 0.00 1.00 0.00 0.00 64.86 64.95 1odl h ILE 4 Cb 1.33 1.15 -0.04 0.00 -0.74 0.00 0.00 36.82 38.52 1odl h ILE 4 CO 0.57 0.04 -1.55 1.41 0.00 0.00 0.00 178.15 178.62 1odl n HIS 5 N -5.07 0.80 -3.04 1.37 8.25 -1.26 -4.60 115.22 111.68 1odl n HIS 5 Ca -0.07 0.34 -0.45 0.00 -0.26 0.00 0.00 57.72 57.28 1odl n HIS 5 Cb 0.08 -1.08 -0.02 0.00 1.12 0.00 0.00 29.99 30.08 1odl n HIS 5 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 1odl s VAL 6 N -2.40 4.96 -0.79 1.59 1.01 -1.26 -4.73 120.40 118.78 1odl s VAL 6 Ca -0.31 -1.79 -0.25 0.00 0.00 0.00 0.00 61.98 59.62 1odl s VAL 6 Cb 0.08 -4.69 -0.01 0.00 0.00 0.00 0.00 36.38 31.76 1odl s VAL 6 CO 0.57 -1.37 1.71 -0.13 0.00 0.00 0.00 175.10 175.88 1odl s ARG 7 N 2.03 2.87 0.35 2.72 0.52 -1.25 -4.03 118.95 122.16 1odl s ARG 7 Ca 0.28 -0.11 -0.09 0.00 -0.52 0.00 0.00 55.73 55.29 1odl s ARG 7 Cb -0.07 -4.71 0.04 0.00 0.52 0.00 0.00 34.95 30.73 1odl s ARG 7 CO -0.09 -2.73 0.62 0.00 0.02 0.00 0.00 175.30 173.12 1odl n ALA 8 N 11.83 -1.10 -2.28 2.13 0.00 -1.26 -4.55 120.51 125.28 1odl n ALA 8 Ca 0.25 -1.31 -0.11 0.00 0.00 0.00 0.00 53.44 52.27 1odl n ALA 8 Cb 0.50 1.05 -0.10 0.00 0.00 0.00 0.00 19.45 20.90 1odl n ALA 8 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.50 176.49 1odl s HIS 9 N -2.85 0.82 0.02 0.00 3.76 -1.26 -3.95 115.29 111.83 1odl s HIS 9 Ca 0.20 -0.86 -0.30 0.00 -0.15 0.00 0.00 55.06 53.95 1odl s HIS 9 Cb -0.03 -0.48 -0.08 0.00 1.11 0.00 0.00 32.58 33.09 1odl s HIS 9 CO 0.14 -0.16 1.91 -1.25 -0.85 0.00 0.00 174.74 174.54 1odl s PRO 10 N -3.48 4.15 0.00 8.40 0.04 -1.26 -1.45 135.00 141.40 1odl s PRO 10 Ca 0.08 2.54 0.00 0.00 0.04 0.00 0.00 61.00 63.66 1odl s PRO 10 Cb 0.03 -4.13 0.00 0.00 0.04 0.00 0.00 34.50 30.45 1odl s PRO 10 CO -0.04 -0.93 0.00 0.41 0.04 0.00 0.00 177.00 176.47 1odl n GLY 11 N 4.47 2.89 0.06 0.56 0.00 -1.26 -4.91 105.19 107.00 1odl n GLY 11 Ca 0.19 -0.37 -0.07 0.00 0.00 0.00 0.00 46.02 45.77 1odl n GLY 11 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1odl h ASP 12 N 2.00 0.02 -3.41 1.61 3.32 -1.61 -3.45 116.42 114.90 1odl h ASP 12 Ca 0.00 -0.02 -0.61 0.00 0.02 0.00 0.00 57.03 56.41 1odl h ASP 12 Cb 0.00 -0.01 -0.14 0.00 0.22 0.00 0.00 39.33 39.40 1odl h ASP 12 CO 0.00 1.02 -0.52 -0.69 -1.72 0.00 0.00 179.24 177.33 1odl s VAL 13 N -2.72 5.19 1.09 -1.35 1.01 -1.26 -4.69 120.40 117.69 1odl s VAL 13 Ca 0.01 0.12 -0.18 0.00 0.00 0.00 0.00 61.98 61.93 1odl s VAL 13 Cb 0.10 -3.39 0.25 0.00 0.00 0.00 0.00 36.38 33.34 1odl s VAL 13 CO 0.82 0.40 1.22 0.00 0.00 0.00 0.00 175.10 177.54 1odl s ALA 14 N 0.69 1.40 -0.00 5.51 0.00 -1.26 -4.84 121.76 123.25 1odl s ALA 14 Ca 0.07 -1.09 0.11 0.00 0.00 0.00 0.00 51.96 51.05 1odl s ALA 14 Cb -0.12 -2.83 -0.13 0.00 0.00 0.00 0.00 23.12 20.04 1odl s ALA 14 CO 0.01 -3.05 1.19 0.93 0.00 0.00 0.00 175.76 174.84 1odl h GLU 15 N -2.14 0.00 -5.17 0.00 5.08 -1.81 -3.39 114.58 107.15 1odl h GLU 15 Ca -0.44 0.00 -0.62 0.00 -1.00 0.00 0.00 59.36 57.30 1odl h GLU 15 Cb 1.26 0.00 -0.15 0.00 0.50 0.00 0.00 28.75 30.36 1odl h GLU 15 CO 0.35 0.72 -0.53 1.03 -1.00 0.00 0.00 179.01 179.58 1odl s ARG 16 N -2.78 4.04 -0.02 2.33 0.52 -1.26 -0.29 118.95 121.48 1odl s ARG 16 Ca 0.01 -0.30 0.01 0.00 -0.52 0.00 0.00 55.73 54.92 1odl s ARG 16 Cb 0.09 -3.40 0.02 0.00 0.52 0.00 0.00 34.95 32.18 1odl s ARG 16 CO 0.80 0.16 -0.01 0.08 0.02 0.00 0.00 175.30 176.35 1odl s VAL 17 N 0.75 0.18 0.19 3.52 1.01 0.12 -1.19 120.40 124.98 1odl s VAL 17 Ca 0.06 0.02 -0.05 0.00 0.00 0.00 0.00 61.98 62.01 1odl s VAL 17 Cb -0.13 -0.23 -0.05 0.00 0.00 0.00 0.00 36.38 35.97 1odl s VAL 17 CO 0.02 0.11 0.43 -0.76 0.00 0.00 0.00 175.10 174.90 1odl s LEU 18 N 0.63 4.21 -0.43 3.92 1.43 0.40 -0.75 118.68 128.10 1odl s LEU 18 Ca -0.06 0.61 0.02 0.00 -1.03 0.00 0.00 54.13 53.67 1odl s LEU 18 Cb -0.09 -3.37 0.14 0.00 0.03 0.00 0.00 46.19 42.90 1odl s LEU 18 CO -0.01 -0.02 0.25 -0.76 0.23 0.00 0.00 176.35 176.04 1odl s LEU 19 N -2.94 2.21 0.36 1.79 1.43 0.51 -1.75 118.68 120.28 1odl s LEU 19 Ca 0.42 -2.60 -0.13 0.00 -1.03 0.00 0.00 54.13 50.79 1odl s LEU 19 Cb -0.12 -0.84 -0.08 0.00 0.03 0.00 0.00 46.19 45.19 1odl s LEU 19 CO 0.26 -0.26 0.75 -2.16 0.23 0.00 0.00 176.35 175.17 1odl s PRO 20 N 0.44 3.91 0.03 1.29 0.04 -1.22 -2.16 135.00 137.33 1odl s PRO 20 Ca 0.19 0.59 -0.12 0.00 0.04 0.00 0.00 61.00 61.70 1odl s PRO 20 Cb -0.21 -2.41 -0.34 0.00 0.04 0.00 0.00 34.50 31.59 1odl s PRO 20 CO -0.02 0.07 0.99 0.78 0.04 0.00 0.00 177.00 178.86 1odl h GLY 21 N 1.81 0.53 -5.26 0.56 0.00 -1.81 -1.84 103.07 97.06 1odl h GLY 21 Ca -0.48 -1.36 -0.58 0.00 0.00 0.00 0.00 47.33 44.92 1odl h GLY 21 CO 0.65 1.19 0.52 -0.35 0.00 0.00 0.00 176.54 178.54 1odl s ASP 22 N -7.45 7.02 0.46 0.19 -1.08 -1.26 -2.02 116.67 112.54 1odl s ASP 22 Ca -0.09 1.26 0.14 0.00 -0.52 0.00 0.00 52.55 53.35 1odl s ASP 22 Cb 0.05 -2.49 1.07 0.00 -1.46 0.00 0.00 42.92 40.09 1odl s ASP 22 CO 0.92 -0.48 2.04 1.55 0.52 0.00 0.00 175.17 179.72 1odl h PRO 23 N 7.37 0.03 -0.31 4.34 0.13 -1.86 -1.73 132.00 139.96 1odl h PRO 23 Ca -0.27 -0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 64.81 1odl h PRO 23 Cb 1.11 -0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.22 1odl h PRO 23 CO 0.87 0.14 -0.03 0.78 -0.23 0.00 0.00 178.00 179.53 1odl h GLY 24 N 0.39 0.52 1.84 1.56 0.00 -1.94 -2.09 103.07 103.34 1odl h GLY 24 Ca 0.01 -0.31 -0.19 0.00 0.00 0.00 0.00 47.33 46.83 1odl h GLY 24 CO 0.02 0.29 -0.86 -0.09 0.00 0.00 0.00 176.54 175.90 1odl h ARG 25 N 0.46 0.14 -0.66 4.80 2.43 -1.74 -2.70 114.38 117.12 1odl h ARG 25 Ca 0.10 -0.16 -0.02 0.00 -0.81 0.00 0.00 59.98 59.09 1odl h ARG 25 Cb 0.36 0.05 -0.03 0.00 -0.42 0.00 0.00 29.97 29.92 1odl h ARG 25 CO 0.01 0.91 0.35 0.00 -1.51 0.00 0.00 179.97 179.74 1odl h ALA 26 N 1.03 1.37 -0.04 2.80 0.00 -0.95 -0.82 119.26 122.65 1odl h ALA 26 Ca -0.03 -0.11 -0.05 0.00 0.00 0.00 0.00 54.91 54.71 1odl h ALA 26 Cb 1.49 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 19.01 1odl h ALA 26 CO 0.13 0.51 -0.18 1.49 0.00 0.00 0.00 179.25 181.19 1odl h GLU 27 N 0.92 0.20 -0.36 0.00 4.81 -1.34 -2.18 114.58 116.63 1odl h GLU 27 Ca 0.23 -0.16 0.07 0.00 -0.13 0.00 0.00 59.36 59.38 1odl h GLU 27 Cb 0.04 0.03 -0.07 0.00 0.63 0.00 0.00 28.75 29.39 1odl h GLU 27 CO -0.04 0.80 -0.07 2.35 -0.73 0.00 0.00 179.01 181.33 1odl h TRP 28 N -0.35 -0.15 -0.33 0.92 7.01 -1.25 -1.50 115.95 120.30 1odl h TRP 28 Ca -0.01 0.03 -0.01 0.00 2.11 0.00 0.00 58.89 61.01 1odl h TRP 28 Cb 0.83 0.12 -0.02 0.00 -2.10 0.00 0.00 29.16 28.00 1odl h TRP 28 CO 0.14 -0.14 0.18 0.82 -2.79 0.00 0.00 178.44 176.66 1odl h ILE 29 N 0.02 1.13 0.00 2.65 2.04 -1.20 0.33 117.51 122.48 1odl h ILE 29 Ca 0.17 -0.34 -0.01 0.00 1.00 0.00 0.00 64.86 65.69 1odl h ILE 29 Cb 0.26 0.76 -0.00 0.00 -0.74 0.00 0.00 36.82 37.10 1odl h ILE 29 CO -0.35 0.13 -0.04 0.00 0.00 0.00 0.00 178.15 177.89 1odl h ALA 30 N 1.05 1.79 0.05 1.87 0.00 -0.95 -1.74 119.26 121.34 1odl h ALA 30 Ca 0.12 -0.04 -0.35 0.00 0.00 0.00 0.00 54.91 54.64 1odl h ALA 30 Cb 0.05 -0.01 -0.04 0.00 0.00 0.00 0.00 17.79 17.79 1odl h ALA 30 CO -0.02 0.05 -2.02 1.63 0.00 0.00 0.00 179.25 178.89 1odl n LYS 31 N -4.28 0.70 0.15 0.00 5.02 -0.60 -3.40 118.16 115.75 1odl n LYS 31 Ca -0.03 0.23 0.03 0.00 -2.02 0.00 0.00 58.31 56.52 1odl n LYS 31 Cb 0.12 -1.69 0.07 0.00 -0.02 0.00 0.00 35.03 33.52 1odl n LYS 31 CO 0.00 0.00 0.00 1.15 -0.52 0.00 0.00 177.40 178.03 1odl h THR 32 N 0.03 0.81 0.00 -0.18 2.02 -0.17 -3.39 112.91 112.03 1odl h THR 32 Ca -0.42 -2.07 0.00 0.00 0.77 0.00 0.00 66.41 64.69 1odl h THR 32 Cb 2.03 2.35 0.00 0.00 -1.74 0.00 0.00 68.15 70.79 1odl h THR 32 CO 0.05 0.45 -0.59 0.49 0.37 0.00 0.00 175.52 176.29 1odl n PHE 33 N -3.25 0.00 -3.99 3.16 3.01 -0.67 -5.06 117.46 110.66 1odl n PHE 33 Ca 0.02 0.00 -0.21 0.00 1.01 0.00 0.00 57.45 58.26 1odl n PHE 33 Cb 0.70 0.00 -0.02 0.00 -0.01 0.00 0.00 39.48 40.14 1odl n PHE 33 CO 0.00 0.00 0.00 -0.51 1.01 0.00 0.00 176.76 177.26 1odl s LEU 34 N -2.28 4.24 -0.10 4.37 1.43 -1.22 -4.70 118.68 120.43 1odl s LEU 34 Ca 0.00 0.03 0.02 0.00 -1.03 0.00 0.00 54.13 53.15 1odl s LEU 34 Cb 0.00 -2.79 -0.01 0.00 0.03 0.00 0.00 46.19 43.42 1odl s LEU 34 CO 0.00 -0.06 -0.18 -1.10 0.23 0.00 0.00 176.35 175.24 1odl s GLN 35 N -3.92 3.04 -1.20 1.70 -1.52 -0.74 -4.65 119.66 112.37 1odl s GLN 35 Ca 0.34 -0.77 -0.00 0.00 -1.95 0.00 0.00 55.36 52.98 1odl s GLN 35 Cb -0.09 -2.44 -0.00 0.00 -0.22 0.00 0.00 33.01 30.26 1odl s GLN 35 CO 0.28 0.30 0.99 0.09 -0.25 0.00 0.00 175.29 176.70 1odl n ASN 36 N 3.24 -2.23 -4.70 5.90 5.03 -1.26 -2.72 115.26 118.52 1odl n ASN 36 Ca -0.18 -0.63 -0.42 0.00 0.87 0.00 0.00 54.58 54.22 1odl n ASN 36 Cb 0.53 -5.10 -0.03 0.00 -1.02 0.00 0.00 39.78 34.16 1odl n ASN 36 CO 0.00 0.00 0.00 -2.84 -1.83 0.00 0.00 177.26 172.59 1odl s PRO 37 N -5.34 4.34 -0.13 3.52 0.02 -1.26 -4.60 135.00 131.55 1odl s PRO 37 Ca 0.02 1.84 0.02 0.00 0.02 0.00 0.00 61.00 62.90 1odl s PRO 37 Cb -0.00 -3.49 0.00 0.00 0.02 0.00 0.00 34.50 31.03 1odl s PRO 37 CO 0.73 -0.45 -0.21 0.50 -0.33 0.00 0.00 177.00 177.24 1odl s ARG 38 N 1.93 3.08 -0.30 5.54 3.52 -0.62 -4.93 118.95 127.17 1odl s ARG 38 Ca 0.60 -0.83 -0.28 0.00 -0.13 0.00 0.00 55.73 55.09 1odl s ARG 38 Cb -0.29 -2.45 0.01 0.00 -1.56 0.00 0.00 34.95 30.66 1odl s ARG 38 CO 0.26 0.04 1.00 0.50 -0.81 0.00 0.00 175.30 176.29 1odl s ARG 39 N 0.71 4.08 0.00 5.12 3.52 -1.26 -1.49 118.95 129.63 1odl s ARG 39 Ca -0.09 1.02 0.23 0.00 -0.13 0.00 0.00 55.73 56.76 1odl s ARG 39 Cb -0.16 -3.72 0.12 0.00 -1.56 0.00 0.00 34.95 29.63 1odl s ARG 39 CO 0.01 -0.80 1.18 2.48 -0.81 0.00 0.00 175.30 177.35 1odl n TYR 40 N 6.62 0.00 -3.62 5.12 0.18 0.52 -4.97 117.16 121.01 1odl n TYR 40 Ca 0.10 0.00 -0.13 0.00 1.88 0.00 0.00 57.90 59.75 1odl n TYR 40 Cb 0.47 -0.01 -0.07 0.00 -0.38 0.00 0.00 39.34 39.35 1odl n TYR 40 CO 0.00 0.00 0.00 1.21 -2.08 0.00 0.00 176.86 175.99 1odl s ASN 41 N -2.40 -0.65 0.00 9.48 2.47 -1.16 -4.60 114.94 118.07 1odl s ASN 41 Ca 0.21 1.23 0.00 0.00 0.42 0.00 0.00 52.86 54.71 1odl s ASN 41 Cb 0.19 1.23 0.00 0.00 -1.45 0.00 0.00 41.25 41.21 1odl s ASN 41 CO 0.52 -0.25 0.00 -0.90 -3.72 0.00 0.00 177.10 172.76 1odl n ASP 42 N 2.41 0.00 -4.66 -4.21 3.85 -1.26 -0.80 116.55 111.89 1odl n ASP 42 Ca -0.14 -0.83 -0.43 0.00 -0.71 0.00 0.00 54.79 52.68 1odl n ASP 42 Cb 0.55 0.00 -0.01 0.00 -1.35 0.00 0.00 41.12 40.32 1odl n ASP 42 CO 0.00 0.00 0.00 1.57 -1.01 0.00 0.00 177.20 177.76 1odl n HIS 43 N 0.00 1.83 -1.74 2.11 -0.00 -1.26 -1.01 115.22 115.15 1odl n HIS 43 Ca 0.00 0.59 -0.13 0.00 0.46 0.00 0.00 57.72 58.64 1odl n HIS 43 Cb 0.21 -2.34 -0.04 0.00 -0.12 0.00 0.00 29.99 27.70 1odl n HIS 43 CO 0.00 0.00 0.00 0.54 0.46 0.00 0.00 176.34 177.34 1odl n ARG 44 N 0.51 -1.59 -1.21 1.57 1.74 -1.26 -0.85 116.66 115.57 1odl n ARG 44 Ca 0.07 0.72 -0.07 0.00 -0.77 0.00 0.00 57.85 57.80 1odl n ARG 44 Cb 0.35 -5.09 -0.03 0.00 -1.02 0.00 0.00 32.46 26.67 1odl n ARG 44 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1odl n GLY 45 N -0.44 0.85 2.53 -0.13 0.00 -0.18 -4.89 105.19 102.93 1odl n GLY 45 Ca -0.14 -0.24 -0.40 0.00 0.00 0.00 0.00 46.02 45.24 1odl n GLY 45 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1odl n LEU 46 N -0.82 7.90 -4.57 0.99 4.77 -0.03 -4.73 117.00 120.51 1odl n LEU 46 Ca -0.07 -4.80 -0.54 0.00 -0.03 0.00 0.00 56.01 50.56 1odl n LEU 46 Cb 0.37 -1.40 -0.07 0.00 -2.33 0.00 0.00 43.42 39.99 1odl n LEU 46 CO 0.11 1.95 1.56 0.79 -1.33 0.00 0.00 177.39 180.47 1odl n TRP 47 N 2.24 1.85 -5.10 -1.77 7.02 -1.25 -4.41 117.44 116.01 1odl n TRP 47 Ca 0.60 0.40 -0.31 0.00 -1.02 0.00 0.00 57.50 57.18 1odl n TRP 47 Cb 0.26 -2.50 -0.17 0.00 -2.42 0.00 0.00 31.31 26.49 1odl n TRP 47 CO 0.00 0.00 0.00 0.20 -2.02 0.00 0.00 177.69 175.87 1odl s GLY 48 N 5.25 1.23 0.35 6.99 0.00 0.02 -2.19 107.32 118.98 1odl s GLY 48 Ca 1.04 -0.87 0.08 0.00 0.00 0.00 0.00 44.72 44.97 1odl s GLY 48 CO 0.58 -0.26 -0.06 -0.19 0.00 0.00 0.00 173.10 173.17 1odl s TYR 49 N 0.38 2.34 -0.17 1.90 1.51 -0.46 -0.35 117.35 122.50 1odl s TYR 49 Ca -0.18 -0.59 -0.07 0.00 -1.01 0.00 0.00 57.07 55.22 1odl s TYR 49 Cb -0.17 -1.43 0.07 0.00 -0.11 0.00 0.00 41.96 40.31 1odl s TYR 49 CO 0.08 0.48 0.38 0.99 -1.11 0.00 0.00 175.55 176.37 1odl s THR 50 N -2.73 -0.32 0.00 -0.71 2.01 -0.55 -1.49 115.64 111.84 1odl s THR 50 Ca 0.33 0.15 0.00 0.00 0.31 0.00 0.00 61.69 62.48 1odl s THR 50 Cb 0.05 -0.59 0.00 0.00 0.01 0.00 0.00 72.50 71.97 1odl s THR 50 CO 0.16 0.06 0.00 0.61 -0.69 0.00 0.00 174.62 174.77 1odl n GLY 51 N 4.85 4.58 3.03 4.40 0.00 -0.54 -1.58 105.19 119.93 1odl n GLY 51 Ca -0.15 -1.00 -0.24 0.00 0.00 0.00 0.00 46.02 44.62 1odl n GLY 51 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1odl s LEU 52 N 0.00 1.67 -0.22 0.99 1.43 -1.10 -0.66 118.68 120.78 1odl s LEU 52 Ca 0.00 -0.30 -0.00 0.00 -1.03 0.00 0.00 54.13 52.80 1odl s LEU 52 Cb 0.00 -0.82 0.03 0.00 0.03 0.00 0.00 46.19 45.43 1odl s LEU 52 CO 0.00 0.04 -0.12 -0.47 0.23 0.00 0.00 176.35 176.04 1odl s TYR 53 N 0.60 2.99 -1.44 0.29 5.04 0.28 -1.79 117.35 123.33 1odl s TYR 53 Ca -0.13 -1.66 -0.04 0.00 -2.44 0.00 0.00 57.07 52.79 1odl s TYR 53 Cb -0.15 -1.99 0.03 0.00 0.35 0.00 0.00 41.96 40.20 1odl s TYR 53 CO 0.04 -0.77 0.62 1.63 -1.34 0.00 0.00 175.55 175.73 1odl n LYS 54 N 4.62 -4.01 -0.75 4.97 5.02 -1.26 -0.51 118.16 126.23 1odl n LYS 54 Ca -0.18 0.48 0.00 0.00 -2.02 0.00 0.00 58.31 56.60 1odl n LYS 54 Cb 0.48 -4.91 0.00 0.00 -0.02 0.00 0.00 35.03 30.58 1odl n LYS 54 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1odl n GLY 55 N -1.76 1.18 3.56 0.72 0.00 -1.26 -5.01 105.19 102.61 1odl n GLY 55 Ca -0.21 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.47 1odl n GLY 55 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1odl s VAL 56 N -3.41 3.89 0.07 1.61 1.01 0.33 -5.03 120.40 118.87 1odl s VAL 56 Ca 0.00 -0.38 -0.31 0.00 0.00 0.00 0.00 61.98 61.29 1odl s VAL 56 Cb 0.00 -2.65 -0.07 0.00 0.00 0.00 0.00 36.38 33.66 1odl s VAL 56 CO 0.00 0.55 1.43 -2.16 0.00 0.00 0.00 175.10 174.92 1odl s PRO 57 N -0.27 4.29 -0.04 2.72 0.04 -1.26 0.10 135.00 140.58 1odl s PRO 57 Ca 0.05 2.07 0.00 0.00 0.04 0.00 0.00 61.00 63.16 1odl s PRO 57 Cb -0.13 -3.41 0.03 0.00 0.04 0.00 0.00 34.50 31.03 1odl s PRO 57 CO 0.02 -0.53 -0.00 0.08 0.04 0.00 0.00 177.00 176.61 1odl s VAL 58 N 1.79 0.26 -0.02 -0.36 1.01 0.17 -4.40 120.40 118.84 1odl s VAL 58 Ca 0.66 0.07 -0.05 0.00 0.00 0.00 0.00 61.98 62.65 1odl s VAL 58 Cb -0.35 -0.36 -0.04 0.00 0.00 0.00 0.00 36.38 35.62 1odl s VAL 58 CO 0.29 0.18 0.22 -0.44 0.00 0.00 0.00 175.10 175.35 1odl s SER 59 N 1.21 6.43 -0.29 3.32 0.01 -0.33 -1.46 113.70 122.59 1odl s SER 59 Ca -0.07 0.47 0.02 0.00 1.31 0.00 0.00 55.95 57.68 1odl s SER 59 Cb -0.13 -2.05 0.08 0.00 0.21 0.00 0.00 66.02 64.12 1odl s SER 59 CO -0.02 0.28 -0.01 -0.69 0.41 0.00 0.00 173.24 173.21 1odl s VAL 60 N -1.26 1.86 -0.15 3.43 1.01 -0.56 -0.46 120.40 124.27 1odl s VAL 60 Ca 0.25 -1.74 -0.01 0.00 0.00 0.00 0.00 61.98 60.49 1odl s VAL 60 Cb -0.13 -2.20 -0.01 0.00 0.00 0.00 0.00 36.38 34.04 1odl s VAL 60 CO 0.15 -0.33 -0.11 -1.58 0.00 0.00 0.00 175.10 173.22 1odl s GLN 61 N 1.18 3.37 0.15 2.72 2.00 -0.72 -1.35 119.66 127.01 1odl s GLN 61 Ca 0.01 -0.68 -0.30 0.00 -2.00 0.00 0.00 55.36 52.39 1odl s GLN 61 Cb -0.19 -2.71 -0.08 0.00 0.80 0.00 0.00 33.01 30.83 1odl s GLN 61 CO -0.09 0.10 1.31 0.99 -0.50 0.00 0.00 175.29 177.10 1odl s THR 62 N 0.64 3.40 -0.19 -0.34 2.01 -0.93 -3.41 115.64 116.82 1odl s THR 62 Ca -0.06 1.08 0.16 0.00 0.31 0.00 0.00 61.69 63.17 1odl s THR 62 Cb -0.15 -3.69 -0.23 0.00 0.01 0.00 0.00 72.50 68.44 1odl s THR 62 CO 0.03 0.13 0.05 0.35 -0.69 0.00 0.00 174.62 174.48 1odl n THR 63 N 3.23 1.29 -0.32 -0.82 -2.24 -0.69 -4.74 114.28 109.98 1odl n THR 63 Ca 0.08 -0.78 0.00 0.00 -2.27 0.00 0.00 64.05 61.08 1odl n THR 63 Cb 0.43 -0.55 0.00 0.00 -2.10 0.00 0.00 70.33 68.11 1odl n THR 63 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1odl n GLY 64 N 1.88 -2.77 3.79 3.38 0.00 -0.85 -3.50 105.19 107.11 1odl n GLY 64 Ca -0.31 -2.00 -0.36 0.00 0.00 0.00 0.00 46.02 43.35 1odl n GLY 64 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1odl s MET 65 N -0.44 3.48 0.00 1.61 -1.94 -1.26 -4.60 119.30 116.16 1odl s MET 65 Ca 0.00 -0.23 0.00 0.00 -1.71 0.00 0.00 55.69 53.75 1odl s MET 65 Cb 0.00 -3.13 0.00 0.00 2.01 0.00 0.00 34.83 33.71 1odl s MET 65 CO 0.00 0.65 0.00 0.41 -0.01 0.00 0.00 175.02 176.07 1odl n GLY 66 N 2.38 1.30 0.24 -0.03 0.00 -1.13 -4.46 105.19 103.49 1odl n GLY 66 Ca -0.19 -1.63 0.07 0.00 0.00 0.00 0.00 46.02 44.28 1odl n GLY 66 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 1odl h THR 67 N 0.00 0.97 -0.50 2.61 1.35 -1.66 -1.34 112.91 114.34 1odl h THR 67 Ca 0.00 -0.55 -0.01 0.00 -0.55 0.00 0.00 66.41 65.30 1odl h THR 67 Cb 0.00 1.31 -0.02 0.00 -1.73 0.00 0.00 68.15 67.71 1odl h THR 67 CO 0.00 0.15 0.29 -0.65 -0.25 0.00 0.00 175.52 175.06 1odl h PRO 68 N 0.00 0.69 0.02 4.72 0.11 -1.89 0.68 132.00 136.32 1odl h PRO 68 Ca -0.00 -0.07 -0.00 0.00 0.11 0.00 0.00 66.00 66.04 1odl h PRO 68 Cb 0.30 -0.14 0.00 0.00 0.11 0.00 0.00 31.00 31.27 1odl h PRO 68 CO 0.02 0.52 -0.01 1.03 -0.21 0.00 0.00 178.00 179.35 1odl h SER 69 N 0.66 -0.02 -0.90 -2.05 0.87 -1.72 -2.94 113.55 107.46 1odl h SER 69 Ca 0.18 -0.51 0.07 0.00 -1.23 0.00 0.00 61.79 60.30 1odl h SER 69 Cb 0.02 0.01 -0.06 0.00 -0.44 0.00 0.00 62.40 61.92 1odl h SER 69 CO -0.03 0.50 0.56 0.00 -0.53 0.00 0.00 176.83 177.33 1odl h ALA 70 N 0.42 1.25 -0.42 6.23 0.00 -1.12 -1.83 119.26 123.79 1odl h ALA 70 Ca -0.00 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.86 1odl h ALA 70 Cb 0.52 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.05 1odl h ALA 70 CO 0.00 0.30 0.10 0.00 0.00 0.00 0.00 179.25 179.65 1odl h ALA 71 N 1.43 1.39 -0.20 0.00 0.00 0.36 0.13 119.26 122.37 1odl h ALA 71 Ca 0.40 -0.17 -0.07 0.00 0.00 0.00 0.00 54.91 55.07 1odl h ALA 71 Cb 0.20 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 17.81 1odl h ALA 71 CO -0.18 0.44 -0.16 0.82 0.00 0.00 0.00 179.25 180.17 1odl h ILE 72 N 0.60 1.32 -0.53 0.00 2.04 -1.18 -1.15 117.51 118.62 1odl h ILE 72 Ca 0.14 -1.28 -0.06 0.00 1.00 0.00 0.00 64.86 64.65 1odl h ILE 72 Cb 0.24 1.72 -0.02 0.00 -0.74 0.00 0.00 36.82 38.01 1odl h ILE 72 CO -0.00 0.39 0.09 0.58 0.00 0.00 0.00 178.15 179.20 1odl h VAL 73 N 0.14 1.25 -0.33 1.67 2.07 -0.99 -2.19 116.25 117.88 1odl h VAL 73 Ca 0.04 -0.95 -0.05 0.00 0.82 0.00 0.00 66.70 66.55 1odl h VAL 73 Cb 0.68 0.84 -0.01 0.00 -1.52 0.00 0.00 31.29 31.28 1odl h VAL 73 CO 0.04 0.34 -0.01 0.58 0.02 0.00 0.00 177.57 178.54 1odl h VAL 74 N 0.77 1.26 -1.00 2.57 2.07 -0.75 -0.72 116.25 120.44 1odl h VAL 74 Ca 0.16 -0.98 0.04 0.00 0.82 0.00 0.00 66.70 66.73 1odl h VAL 74 Cb 0.41 1.25 -0.06 0.00 -1.52 0.00 0.00 31.29 31.37 1odl h VAL 74 CO 0.01 0.32 0.66 -0.33 0.02 0.00 0.00 177.57 178.25 1odl h GLU 75 N 0.38 1.24 -0.09 1.57 4.39 -1.13 -1.87 114.58 119.07 1odl h GLU 75 Ca 0.09 -0.07 -0.24 0.00 0.34 0.00 0.00 59.36 59.48 1odl h GLU 75 Cb 0.46 -0.28 0.02 0.00 -0.10 0.00 0.00 28.75 28.85 1odl h GLU 75 CO 0.02 0.82 -0.88 0.93 -1.16 0.00 0.00 179.01 178.74 1odl h GLU 76 N 1.27 0.75 -0.90 2.33 5.08 -1.25 -2.92 114.58 118.94 1odl h GLU 76 Ca 0.40 -0.69 0.03 0.00 -1.00 0.00 0.00 59.36 58.10 1odl h GLU 76 Cb -0.00 0.17 -0.05 0.00 0.50 0.00 0.00 28.75 29.36 1odl h GLU 76 CO -0.12 1.28 0.59 -0.07 -1.00 0.00 0.00 179.01 179.68 1odl h LEU 77 N 0.46 0.98 -1.39 1.33 3.38 -0.87 0.30 115.31 119.51 1odl h LEU 77 Ca -0.09 -0.01 -0.03 0.00 0.09 0.00 0.00 57.88 57.85 1odl h LEU 77 Cb 1.52 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 42.03 1odl h LEU 77 CO 0.18 0.68 0.10 0.58 0.09 0.00 0.00 178.44 180.07 1odl h VAL 78 N 1.15 1.16 0.00 1.22 2.07 -1.35 0.40 116.25 120.89 1odl h VAL 78 Ca 0.36 -0.54 -0.08 0.00 0.82 0.00 0.00 66.70 67.25 1odl h VAL 78 Cb -0.02 0.78 -0.01 0.00 -1.52 0.00 0.00 31.29 30.52 1odl h VAL 78 CO -0.11 0.20 -0.40 0.03 0.02 0.00 0.00 177.57 177.30 1odl h ARG 79 N 0.51 0.00 -0.00 1.57 2.47 -0.85 -2.34 114.38 115.73 1odl h ARG 79 Ca 0.12 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.84 1odl h ARG 79 Cb 0.17 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.49 1odl h ARG 79 CO -0.01 0.40 -0.15 1.28 0.56 0.00 0.00 179.97 182.05 1odl n LEU 80 N -3.62 0.53 0.00 3.04 4.77 -0.08 -4.88 117.00 116.76 1odl n LEU 80 Ca -0.01 -0.01 0.00 0.00 -0.03 0.00 0.00 56.01 55.97 1odl n LEU 80 Cb 0.50 -0.20 0.00 0.00 -2.33 0.00 0.00 43.42 41.40 1odl n LEU 80 CO 0.37 0.10 0.00 0.61 -1.33 0.00 0.00 177.39 177.15 1odl n GLY 81 N 1.32 1.21 3.74 -0.72 0.00 -0.44 -4.49 105.19 105.81 1odl n GLY 81 Ca 0.13 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.74 1odl n GLY 81 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1odl s ALA 82 N -2.00 3.57 -0.04 4.61 0.00 -0.07 -4.50 121.76 123.32 1odl s ALA 82 Ca 0.00 1.22 0.02 0.00 0.00 0.00 0.00 51.96 53.20 1odl s ALA 82 Cb 0.00 -3.51 -0.04 0.00 0.00 0.00 0.00 23.12 19.57 1odl s ALA 82 CO 0.00 -0.63 -0.01 -2.13 0.00 0.00 0.00 175.76 172.99 1odl n ARG 83 N 2.30 1.95 -3.87 0.00 0.63 0.15 -4.57 116.66 113.25 1odl n ARG 83 Ca 0.06 0.01 -0.30 0.00 -0.92 0.00 0.00 57.85 56.70 1odl n ARG 83 Cb 0.42 -1.10 -0.16 0.00 0.45 0.00 0.00 32.46 32.07 1odl n ARG 83 CO 0.00 0.00 0.00 0.08 -2.51 0.00 0.00 177.63 175.20 1odl s VAL 84 N -2.10 1.27 -0.22 5.15 1.01 0.60 -1.00 120.40 125.11 1odl s VAL 84 Ca -0.04 -1.19 -0.00 0.00 0.00 0.00 0.00 61.98 60.75 1odl s VAL 84 Cb 0.01 -1.68 0.02 0.00 0.00 0.00 0.00 36.38 34.74 1odl s VAL 84 CO 0.14 -0.25 -0.12 -0.76 0.00 0.00 0.00 175.10 174.11 1odl s LEU 85 N 1.49 2.78 -0.20 3.92 1.02 -0.01 0.16 118.68 127.84 1odl s LEU 85 Ca -0.01 -0.79 -0.01 0.00 0.02 0.00 0.00 54.13 53.34 1odl s LEU 85 Cb -0.18 -1.59 0.01 0.00 0.02 0.00 0.00 46.19 44.45 1odl s LEU 85 CO -0.10 -0.07 -0.14 -0.69 0.02 0.00 0.00 176.35 175.38 1odl s VAL 86 N 1.30 2.59 0.16 -1.59 1.01 0.07 -1.85 120.40 122.09 1odl s VAL 86 Ca 0.02 -0.77 -0.30 0.00 0.00 0.00 0.00 61.98 60.92 1odl s VAL 86 Cb -0.15 -2.14 -0.07 0.00 0.00 0.00 0.00 36.38 34.02 1odl s VAL 86 CO -0.08 0.48 1.06 -0.60 0.00 0.00 0.00 175.10 175.96 1odl s ARG 87 N 1.36 4.63 -0.44 2.72 3.52 -0.07 -0.37 118.95 130.30 1odl s ARG 87 Ca 0.05 1.63 0.03 0.00 -0.13 0.00 0.00 55.73 57.31 1odl s ARG 87 Cb -0.14 -3.31 0.12 0.00 -1.56 0.00 0.00 34.95 30.07 1odl s ARG 87 CO -0.09 0.12 0.20 0.14 -0.81 0.00 0.00 175.30 174.86 1odl s VAL 88 N -0.16 2.08 0.03 7.11 -7.23 -0.92 -1.54 120.40 119.78 1odl s VAL 88 Ca 0.49 -2.76 0.00 0.00 -1.81 0.00 0.00 61.98 57.90 1odl s VAL 88 Cb -0.27 -2.48 -0.00 0.00 0.56 0.00 0.00 36.38 34.19 1odl s VAL 88 CO 0.33 -0.77 0.01 0.61 -0.31 0.00 0.00 175.10 174.97 1odl n GLY 89 N 3.60 4.04 3.70 2.32 0.00 -1.07 -4.13 105.19 113.65 1odl n GLY 89 Ca 0.05 -1.91 -0.23 0.00 0.00 0.00 0.00 46.02 43.93 1odl n GLY 89 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1odl s THR 90 N -1.68 3.05 0.13 2.61 -4.23 -1.26 -1.10 115.64 113.16 1odl s THR 90 Ca 0.02 -1.79 -0.10 0.00 -1.18 0.00 0.00 61.69 58.63 1odl s THR 90 Cb 0.00 -2.92 0.00 0.00 1.34 0.00 0.00 72.50 70.92 1odl s THR 90 CO 0.01 -0.23 0.28 0.00 -0.54 0.00 0.00 174.62 174.14 1odl s ALA 91 N -2.42 -0.27 -0.25 3.99 0.00 -0.93 -4.78 121.76 117.10 1odl s ALA 91 Ca 0.36 -0.63 -0.08 0.00 0.00 0.00 0.00 51.96 51.61 1odl s ALA 91 Cb -0.03 0.69 -0.03 0.00 0.00 0.00 0.00 23.12 23.75 1odl s ALA 91 CO 0.21 -0.60 0.08 0.20 0.00 0.00 0.00 175.76 175.65 1odl s GLY 92 N -2.90 1.79 0.24 0.00 0.00 0.35 -1.65 107.32 105.15 1odl s GLY 92 Ca 0.10 -1.10 -0.31 0.00 0.00 0.00 0.00 44.72 43.41 1odl s GLY 92 CO -0.06 0.52 1.57 0.00 0.00 0.00 0.00 173.10 175.13 1odl n ALA 93 N 4.85 2.05 0.64 3.20 0.00 0.69 -0.40 120.51 131.54 1odl n ALA 93 Ca -0.16 0.40 0.11 0.00 0.00 0.00 0.00 53.44 53.79 1odl n ALA 93 Cb 0.52 -2.41 -0.07 0.00 0.00 0.00 0.00 19.45 17.49 1odl n ALA 93 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1odl n ALA 94 N 2.65 3.83 -2.30 0.00 0.00 -0.59 -1.98 120.51 122.12 1odl n ALA 94 Ca 0.12 -0.51 -0.24 0.00 0.00 0.00 0.00 53.44 52.81 1odl n ALA 94 Cb 0.34 -0.85 0.00 0.00 0.00 0.00 0.00 19.45 18.94 1odl n ALA 94 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 1odl s SER 95 N -3.64 4.78 -0.02 0.00 0.01 -1.25 -4.03 113.70 109.56 1odl s SER 95 Ca 0.03 -1.10 0.17 0.00 1.31 0.00 0.00 55.95 56.37 1odl s SER 95 Cb 0.15 0.24 -0.25 0.00 0.21 0.00 0.00 66.02 66.38 1odl s SER 95 CO 0.85 -1.08 0.44 -1.54 0.41 0.00 0.00 173.24 172.32 1odl n SER 96 N -1.82 1.05 -0.05 2.44 3.41 -1.26 -4.27 113.62 113.12 1odl n SER 96 Ca 0.03 -0.19 0.15 0.00 -0.26 0.00 0.00 58.87 58.60 1odl n SER 96 Cb 0.63 1.61 0.72 0.00 -0.26 0.00 0.00 64.21 66.92 1odl n SER 96 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 1odl n ASP 97 N -1.94 0.19 -4.52 4.04 3.85 -1.26 -4.68 116.55 112.23 1odl n ASP 97 Ca -0.02 -0.41 -0.42 0.00 -0.71 0.00 0.00 54.79 53.23 1odl n ASP 97 Cb 0.40 -0.17 -0.09 0.00 -1.35 0.00 0.00 41.12 39.92 1odl n ASP 97 CO 0.00 0.00 0.00 -0.76 -1.01 0.00 0.00 177.20 175.43 1odl s LEU 98 N -2.47 4.62 0.09 -2.12 1.43 -1.26 -5.06 118.68 113.91 1odl s LEU 98 Ca 0.31 -0.41 -0.08 0.00 -1.03 0.00 0.00 54.13 52.92 1odl s LEU 98 Cb 0.20 -2.39 -0.06 0.00 0.03 0.00 0.00 46.19 43.97 1odl s LEU 98 CO 0.46 -0.47 0.38 0.00 0.23 0.00 0.00 176.35 176.95 1odl s ALA 99 N 2.13 3.75 0.31 4.21 0.00 -1.26 -4.90 121.76 126.00 1odl s ALA 99 Ca 0.13 -0.45 -0.29 0.00 0.00 0.00 0.00 51.96 51.35 1odl s ALA 99 Cb -0.17 -2.21 -0.13 0.00 0.00 0.00 0.00 23.12 20.61 1odl s ALA 99 CO 0.13 0.60 1.33 -2.30 0.00 0.00 0.00 175.76 175.52 1odl n PRO 100 N 0.70 2.13 0.00 0.00 -0.02 -1.26 -1.94 135.00 134.61 1odl n PRO 100 Ca -0.07 0.75 0.00 0.00 -2.02 0.00 0.00 63.50 62.16 1odl n PRO 100 Cb 0.52 -2.36 0.00 0.00 -0.02 0.00 0.00 33.50 31.64 1odl n PRO 100 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1odl n GLY 101 N 1.19 2.91 3.77 -1.23 0.00 0.18 -4.89 105.19 107.12 1odl n GLY 101 Ca 0.07 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.68 1odl n GLY 101 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1odl s GLU 102 N -0.28 4.22 0.38 1.61 2.12 -0.82 -4.48 118.70 121.44 1odl s GLU 102 Ca 0.00 2.23 -0.04 0.00 0.36 0.00 0.00 54.97 57.52 1odl s GLU 102 Cb 0.00 -2.96 -0.04 0.00 0.26 0.00 0.00 34.13 31.38 1odl s GLU 102 CO 0.00 -0.31 0.64 -0.51 -0.54 0.00 0.00 175.26 174.54 1odl s LEU 103 N -2.02 3.89 -0.10 2.70 1.43 -1.06 -1.41 118.68 122.11 1odl s LEU 103 Ca 0.52 0.72 -0.03 0.00 -1.03 0.00 0.00 54.13 54.31 1odl s LEU 103 Cb -0.40 -3.60 0.04 0.00 0.03 0.00 0.00 46.19 42.26 1odl s LEU 103 CO 0.52 -0.36 0.07 -0.63 0.23 0.00 0.00 176.35 176.18 1odl s ILE 104 N -2.39 -0.07 -0.44 -0.59 1.01 0.16 -1.23 121.20 117.65 1odl s ILE 104 Ca 0.44 0.14 -0.22 0.00 0.00 0.00 0.00 60.65 61.01 1odl s ILE 104 Cb -0.10 -0.37 0.02 0.00 0.01 0.00 0.00 42.46 42.03 1odl s ILE 104 CO 0.37 -0.03 0.74 -0.69 0.00 0.00 0.00 174.94 175.33 1odl s VAL 105 N 2.14 4.71 -0.27 2.92 1.01 0.27 -0.39 120.40 130.79 1odl s VAL 105 Ca 0.04 0.33 -0.29 0.00 0.00 0.00 0.00 61.98 62.06 1odl s VAL 105 Cb -0.14 -4.28 -0.03 0.00 0.00 0.00 0.00 36.38 31.94 1odl s VAL 105 CO -0.06 -0.67 1.77 0.00 0.00 0.00 0.00 175.10 176.14 1odl s ALA 106 N 3.13 3.02 -0.18 5.51 0.00 -0.55 -2.66 121.76 130.03 1odl s ALA 106 Ca 0.27 0.41 0.16 0.00 0.00 0.00 0.00 51.96 52.80 1odl s ALA 106 Cb -0.13 -3.96 0.09 0.00 0.00 0.00 0.00 23.12 19.12 1odl s ALA 106 CO 0.21 -2.37 1.46 0.37 0.00 0.00 0.00 175.76 175.43 1odl h GLN 107 N 12.21 0.00 -2.00 0.00 4.15 -0.63 -3.43 115.11 125.41 1odl h GLN 107 Ca -0.35 0.00 0.24 0.00 0.77 0.00 0.00 58.65 59.31 1odl h GLN 107 Cb 1.17 0.00 -0.09 0.00 0.21 0.00 0.00 27.48 28.77 1odl h GLN 107 CO 1.01 0.46 0.64 0.20 -1.93 0.00 0.00 178.83 179.21 1odl s GLY 108 N -4.44 -0.27 -0.09 2.39 0.00 -1.24 -4.30 107.32 99.37 1odl s GLY 108 Ca 0.04 0.30 -0.02 0.00 0.00 0.00 0.00 44.72 45.04 1odl s GLY 108 CO 0.74 0.40 0.03 0.00 0.00 0.00 0.00 173.10 174.27 1odl s ALA 109 N -2.83 0.61 0.03 3.20 0.00 -0.17 -2.62 121.76 119.98 1odl s ALA 109 Ca 0.14 -0.16 -0.30 0.00 0.00 0.00 0.00 51.96 51.64 1odl s ALA 109 Cb 0.01 -0.82 -0.08 0.00 0.00 0.00 0.00 23.12 22.24 1odl s ALA 109 CO 0.00 -0.65 1.74 0.08 0.00 0.00 0.00 175.76 176.93 1odl s VAL 110 N 2.02 3.17 -1.02 0.00 1.01 0.02 -4.09 120.40 121.51 1odl s VAL 110 Ca 0.04 0.42 -0.22 0.00 0.00 0.00 0.00 61.98 62.22 1odl s VAL 110 Cb -0.13 -3.27 0.07 0.00 0.00 0.00 0.00 36.38 33.05 1odl s VAL 110 CO -0.06 -0.02 1.39 -2.16 0.00 0.00 0.00 175.10 174.26 1odl s PRO 111 N 3.50 3.62 0.00 2.72 0.04 -1.26 -1.16 135.00 142.46 1odl s PRO 111 Ca 0.78 -1.32 0.23 0.00 0.04 0.00 0.00 61.00 60.72 1odl s PRO 111 Cb -0.39 -5.27 0.60 0.00 0.04 0.00 0.00 34.50 29.48 1odl s PRO 111 CO 0.34 -2.11 1.51 1.28 0.04 0.00 0.00 177.00 178.06 1odl n LEU 112 N 8.32 3.86 -4.95 -3.56 4.77 -0.64 -4.96 117.00 119.84 1odl n LEU 112 Ca 0.32 -1.90 -0.23 0.00 -0.03 0.00 0.00 56.01 54.17 1odl n LEU 112 Cb 0.50 -0.44 -0.02 0.00 -2.33 0.00 0.00 43.42 41.13 1odl n LEU 112 CO 0.63 0.94 0.07 1.51 -1.33 0.00 0.00 177.39 179.21 1odl s ASP 113 N -1.10 6.32 0.18 -1.43 1.47 -1.07 -4.33 116.67 116.71 1odl s ASP 113 Ca 0.47 0.30 0.25 0.00 1.18 0.00 0.00 52.55 54.74 1odl s ASP 113 Cb 0.25 -1.96 0.49 0.00 -0.34 0.00 0.00 42.92 41.36 1odl s ASP 113 CO 0.33 -0.17 1.50 1.23 0.68 0.00 0.00 175.17 178.74 1odl h GLY 114 N 1.12 0.00 0.65 2.12 0.00 -1.93 -3.27 103.07 101.76 1odl h GLY 114 Ca -0.50 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 46.81 1odl h GLY 114 CO 0.62 0.00 -0.16 -0.84 0.00 0.00 0.00 176.54 176.16 1odl h THR 115 N 0.00 0.61 -0.80 4.70 2.02 -1.95 0.05 112.91 117.54 1odl h THR 115 Ca 0.00 -0.58 -0.00 0.00 0.77 0.00 0.00 66.41 66.59 1odl h THR 115 Cb 0.78 0.89 -0.04 0.00 -1.74 0.00 0.00 68.15 68.04 1odl h THR 115 CO 0.00 0.10 0.48 0.71 0.37 0.00 0.00 175.52 177.19 1odl h THR 116 N -0.82 1.22 -0.71 3.16 1.35 -1.95 -1.62 112.91 113.55 1odl h THR 116 Ca -0.05 -0.49 0.03 0.00 -0.55 0.00 0.00 66.41 65.36 1odl h THR 116 Cb 0.52 0.09 -0.05 0.00 -1.73 0.00 0.00 68.15 66.99 1odl h THR 116 CO 0.08 0.23 0.44 -0.09 -0.25 0.00 0.00 175.52 175.93 1odl h ARG 117 N 1.10 0.83 -0.18 4.72 2.43 -1.58 0.13 114.38 121.82 1odl h ARG 117 Ca 0.29 -0.05 -0.03 0.00 -0.81 0.00 0.00 59.98 59.38 1odl h ARG 117 Cb -0.05 -0.19 -0.01 0.00 -0.42 0.00 0.00 29.97 29.31 1odl h ARG 117 CO -0.05 0.55 -0.01 0.37 -1.51 0.00 0.00 179.97 179.31 1odl h GLN 118 N 0.85 0.32 -0.47 0.20 4.15 -0.13 0.13 115.11 120.17 1odl h GLN 118 Ca 0.29 -0.11 -0.02 0.00 0.77 0.00 0.00 58.65 59.57 1odl h GLN 118 Cb 0.04 -0.03 -0.02 0.00 0.21 0.00 0.00 27.48 27.68 1odl h GLN 118 CO -0.12 0.55 0.19 1.88 -1.93 0.00 0.00 178.83 179.40 1odl h TYR 119 N 0.06 0.67 -0.01 3.99 -1.99 -1.04 -2.30 116.97 116.35 1odl h TYR 119 Ca 0.05 -0.03 0.00 0.00 2.00 0.00 0.00 58.73 60.75 1odl h TYR 119 Cb 0.41 -0.21 0.00 0.00 2.00 0.00 0.00 36.73 38.93 1odl h TYR 119 CO 0.04 0.52 -0.19 1.28 -0.00 0.00 0.00 178.16 179.81 1odl n LEU 120 N -4.36 0.72 -3.57 3.88 4.77 0.41 -4.94 117.00 113.91 1odl n LEU 120 Ca 0.04 -0.11 -0.22 0.00 -0.03 0.00 0.00 56.01 55.69 1odl n LEU 120 Cb 0.15 -0.16 0.08 0.00 -2.33 0.00 0.00 43.42 41.15 1odl n LEU 120 CO 0.38 0.14 0.16 -0.62 -1.33 0.00 0.00 177.39 176.12 1odl n GLU 121 N -0.84 -7.08 -0.95 3.23 1.02 0.22 -2.37 120.64 113.87 1odl n GLU 121 Ca 0.13 0.80 0.00 0.00 -0.02 0.00 0.00 57.16 58.07 1odl n GLU 121 Cb 0.31 -5.80 0.00 0.00 -0.02 0.00 0.00 31.44 25.93 1odl n GLU 121 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1odl n GLY 122 N -1.64 0.39 3.87 0.62 0.00 0.14 -5.01 105.19 103.57 1odl n GLY 122 Ca -0.12 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.59 1odl n GLY 122 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1odl s ARG 123 N -0.66 3.84 0.69 1.61 0.52 -1.00 -5.05 118.95 118.90 1odl s ARG 123 Ca 0.00 0.50 -0.16 0.00 -0.52 0.00 0.00 55.73 55.55 1odl s ARG 123 Cb 0.00 -2.43 0.02 0.00 0.52 0.00 0.00 34.95 33.06 1odl s ARG 123 CO 0.00 0.06 1.18 -2.14 0.02 0.00 0.00 175.30 174.42 1odl s PRO 124 N -3.51 2.44 0.20 3.54 0.02 -1.26 -4.91 135.00 131.52 1odl s PRO 124 Ca 0.52 1.68 -0.23 0.00 0.02 0.00 0.00 61.00 62.99 1odl s PRO 124 Cb -0.10 -1.88 0.05 0.00 0.02 0.00 0.00 34.50 32.59 1odl s PRO 124 CO 0.26 -1.59 0.68 -0.47 -0.33 0.00 0.00 177.00 175.55 1odl s TYR 125 N -2.01 -0.38 -0.45 6.54 5.04 -1.26 -5.12 117.35 119.71 1odl s TYR 125 Ca 0.73 0.07 0.03 0.00 -2.44 0.00 0.00 57.07 55.45 1odl s TYR 125 Cb -0.27 0.62 0.15 0.00 0.35 0.00 0.00 41.96 42.81 1odl s TYR 125 CO 0.42 -0.99 0.29 0.00 -1.34 0.00 0.00 175.55 173.93 1odl s ALA 126 N -3.77 2.01 -0.03 3.97 0.00 -1.26 -4.87 121.76 117.82 1odl s ALA 126 Ca 0.06 -2.61 -0.32 0.00 0.00 0.00 0.00 51.96 49.09 1odl s ALA 126 Cb -0.03 -1.82 -0.10 0.00 0.00 0.00 0.00 23.12 21.17 1odl s ALA 126 CO -0.04 -2.06 1.93 -2.30 0.00 0.00 0.00 175.76 173.29 1odl n PRO 127 N 3.27 2.53 -3.98 0.00 -0.02 -1.26 -4.95 135.00 130.59 1odl n PRO 127 Ca 0.15 0.93 -0.09 0.00 -2.02 0.00 0.00 63.50 62.47 1odl n PRO 127 Cb 0.38 -2.83 -0.11 0.00 -0.02 0.00 0.00 33.50 30.92 1odl n PRO 127 CO 0.00 0.00 0.00 0.14 1.98 0.00 0.00 175.50 177.62 1odl s VAL 128 N 4.30 0.13 1.13 -1.45 -7.23 -1.26 -1.00 120.40 115.02 1odl s VAL 128 Ca 0.91 -0.89 -0.18 0.00 -1.81 0.00 0.00 61.98 60.01 1odl s VAL 128 Cb -0.56 -0.27 0.26 0.00 0.56 0.00 0.00 36.38 36.37 1odl s VAL 128 CO 0.47 -0.48 1.18 -2.16 -0.31 0.00 0.00 175.10 173.81 1odl s PRO 129 N -1.42 -0.69 0.20 4.82 0.04 -1.26 -4.72 135.00 131.97 1odl s PRO 129 Ca -0.15 -0.22 -0.30 0.00 0.04 0.00 0.00 61.00 60.37 1odl s PRO 129 Cb -0.10 -1.67 -0.09 0.00 0.04 0.00 0.00 34.50 32.68 1odl s PRO 129 CO -0.01 -3.33 1.32 0.34 0.04 0.00 0.00 177.00 175.36 1odl s ASP 130 N -4.25 6.88 0.20 6.66 2.15 0.94 -4.92 116.67 124.32 1odl s ASP 130 Ca 0.72 2.41 -0.11 0.00 0.43 0.00 0.00 52.55 56.01 1odl s ASP 130 Cb -0.07 -2.61 0.25 0.00 -0.30 0.00 0.00 42.92 40.19 1odl s ASP 130 CO 0.55 -0.54 1.73 1.55 -0.17 0.00 0.00 175.17 178.29 1odl h PRO 131 N 5.40 0.31 0.05 4.34 0.13 -1.93 -1.72 132.00 138.58 1odl h PRO 131 Ca -0.45 -0.02 -0.00 0.00 -0.87 0.00 0.00 66.00 64.66 1odl h PRO 131 Cb 1.21 -0.07 -0.00 0.00 0.13 0.00 0.00 31.00 32.27 1odl h PRO 131 CO 0.77 0.20 -0.03 0.93 -0.23 0.00 0.00 178.00 179.64 1odl h GLU 132 N 0.32 -0.08 -0.52 0.86 5.08 -1.95 -2.13 114.58 116.16 1odl h GLU 132 Ca 0.29 0.01 0.07 0.00 -1.00 0.00 0.00 59.36 58.72 1odl h GLU 132 Cb 0.38 0.02 -0.06 0.00 0.50 0.00 0.00 28.75 29.59 1odl h GLU 132 CO -0.33 -0.06 0.19 0.28 -1.00 0.00 0.00 179.01 178.10 1odl h VAL 133 N -0.09 0.83 -0.14 3.13 2.07 -1.81 -0.55 116.25 119.70 1odl h VAL 133 Ca -0.00 -0.13 0.05 0.00 0.82 0.00 0.00 66.70 67.44 1odl h VAL 133 Cb 0.08 0.42 -0.06 0.00 -1.52 0.00 0.00 31.29 30.21 1odl h VAL 133 CO -0.00 0.07 -0.22 0.15 0.02 0.00 0.00 177.57 177.59 1odl h PHE 134 N 0.38 -0.58 -0.77 1.57 3.57 -1.10 -0.68 116.94 119.32 1odl h PHE 134 Ca 0.25 0.03 -0.00 0.00 3.53 0.00 0.00 57.97 61.78 1odl h PHE 134 Cb 0.26 0.28 -0.04 0.00 2.79 0.00 0.00 35.95 39.24 1odl h PHE 134 CO -0.16 -0.30 0.48 -0.09 -2.23 0.00 0.00 178.31 176.02 1odl h ARG 135 N -0.27 1.04 0.16 1.11 2.43 -0.90 -1.27 114.38 116.68 1odl h ARG 135 Ca 0.10 -0.08 -0.01 0.00 -0.81 0.00 0.00 59.98 59.18 1odl h ARG 135 Cb 0.43 -0.22 0.00 0.00 -0.42 0.00 0.00 29.97 29.75 1odl h ARG 135 CO -0.30 0.71 -0.08 0.00 -1.51 0.00 0.00 179.97 178.80 1odl h ALA 136 N 1.47 -0.22 -0.36 2.80 0.00 -0.23 0.30 119.26 123.03 1odl h ALA 136 Ca 0.28 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 55.11 1odl h ALA 136 Cb -0.07 0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.79 1odl h ALA 136 CO -0.06 -0.58 0.23 -0.07 0.00 0.00 0.00 179.25 178.78 1odl h LEU 137 N -0.30 0.41 -0.04 0.00 3.38 -0.94 0.10 115.31 117.92 1odl h LEU 137 Ca -0.02 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.93 1odl h LEU 137 Cb 0.23 -0.10 -0.00 0.00 0.09 0.00 0.00 40.66 40.88 1odl h LEU 137 CO 0.04 0.31 0.03 -0.25 0.09 0.00 0.00 178.44 178.65 1odl h TRP 138 N 0.48 0.06 -0.31 1.13 2.91 -1.10 -0.05 115.95 119.07 1odl h TRP 138 Ca 0.13 0.00 0.01 0.00 1.13 0.00 0.00 58.89 60.16 1odl h TRP 138 Cb -0.05 -0.02 -0.02 0.00 -0.51 0.00 0.00 29.16 28.56 1odl h TRP 138 CO -0.05 0.05 0.19 0.00 -1.03 0.00 0.00 178.44 177.59 1odl h ARG 139 N 0.05 0.37 -0.61 2.65 3.08 -0.11 -2.02 114.38 117.80 1odl h ARG 139 Ca 0.02 -0.02 -0.01 0.00 0.07 0.00 0.00 59.98 60.04 1odl h ARG 139 Cb 0.00 -0.08 -0.03 0.00 0.08 0.00 0.00 29.97 29.94 1odl h ARG 139 CO -0.00 0.25 0.35 0.00 -1.07 0.00 0.00 179.97 179.50 1odl h ARG 140 N 0.39 0.84 -0.70 0.04 2.47 -0.63 -0.34 114.38 116.44 1odl h ARG 140 Ca 0.12 -0.08 0.06 0.00 -1.26 0.00 0.00 59.98 58.82 1odl h ARG 140 Cb -0.01 -0.17 -0.06 0.00 -1.65 0.00 0.00 29.97 28.08 1odl h ARG 140 CO -0.05 0.61 0.39 0.00 0.56 0.00 0.00 179.97 181.49 1odl h ALA 141 N 1.17 0.94 -0.32 0.04 0.00 -0.73 0.22 119.26 120.58 1odl h ALA 141 Ca 0.22 0.02 -0.05 0.00 0.00 0.00 0.00 54.91 55.09 1odl h ALA 141 Cb 0.00 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 1odl h ALA 141 CO -0.04 0.07 0.00 0.93 0.00 0.00 0.00 179.25 180.21 1odl h GLU 142 N 0.72 0.56 -0.27 0.00 5.08 -0.89 -2.35 114.58 117.43 1odl h GLU 142 Ca 0.31 -0.18 0.01 0.00 -1.00 0.00 0.00 59.36 58.51 1odl h GLU 142 Cb 0.20 -0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.38 1odl h GLU 142 CO -0.19 0.70 0.14 0.00 -1.00 0.00 0.00 179.01 178.66 1odl h ALA 143 N 0.85 0.33 0.00 3.43 0.00 -0.51 -1.34 119.26 122.02 1odl h ALA 143 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.00 1odl h ALA 143 Cb 0.44 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.17 1odl h ALA 143 CO 0.02 -0.24 0.00 1.28 0.00 0.00 0.00 179.25 180.30 1odl n LEU 144 N -4.96 0.00 -2.23 0.00 4.77 0.01 -4.87 117.00 109.73 1odl n LEU 144 Ca -0.01 0.14 -0.20 0.00 -0.03 0.00 0.00 56.01 55.91 1odl n LEU 144 Cb 0.06 -0.14 -0.03 0.00 -2.33 0.00 0.00 43.42 40.98 1odl n LEU 144 CO 0.32 -0.05 -0.24 0.61 -1.33 0.00 0.00 177.39 176.70 1odl n GLY 145 N 0.36 0.02 3.70 -0.72 0.00 -0.51 -4.96 105.19 103.08 1odl n GLY 145 Ca 0.13 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.75 1odl n GLY 145 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1odl s TYR 146 N -2.93 3.50 0.03 1.61 2.02 -0.98 -5.00 117.35 115.60 1odl s TYR 146 Ca 0.00 1.19 -0.35 0.00 -0.37 0.00 0.00 57.07 57.54 1odl s TYR 146 Cb 0.00 -2.85 -0.14 0.00 -0.40 0.00 0.00 41.96 38.57 1odl s TYR 146 CO 0.00 -0.03 1.66 -2.30 -1.57 0.00 0.00 175.55 173.30 1odl n PRO 147 N 4.34 1.91 -3.94 -1.71 -0.02 -1.26 -4.76 135.00 129.56 1odl n PRO 147 Ca -0.00 0.69 -0.10 0.00 -2.02 0.00 0.00 63.50 62.08 1odl n PRO 147 Cb 0.50 -2.46 -0.02 0.00 -0.02 0.00 0.00 33.50 31.50 1odl n PRO 147 CO 0.00 0.00 0.00 -3.38 1.98 0.00 0.00 175.50 174.10 1odl s HIS 148 N 2.12 0.34 0.08 6.00 -3.43 -1.26 -2.56 115.29 116.58 1odl s HIS 148 Ca 0.86 -0.78 0.03 0.00 -0.80 0.00 0.00 55.06 54.37 1odl s HIS 148 Cb -0.76 0.40 -0.03 0.00 -1.43 0.00 0.00 32.58 30.76 1odl s HIS 148 CO 0.46 -1.23 -0.09 1.03 -2.00 0.00 0.00 174.74 172.92 1odl s ARG 149 N -3.34 0.74 -0.15 -0.38 1.81 -0.37 -4.93 118.95 112.33 1odl s ARG 149 Ca 0.20 -1.04 0.00 0.00 -1.72 0.00 0.00 55.73 53.17 1odl s ARG 149 Cb -0.03 -0.43 0.03 0.00 -0.45 0.00 0.00 34.95 34.07 1odl s ARG 149 CO 0.12 0.06 -0.11 0.08 -0.68 0.00 0.00 175.30 174.77 1odl s VAL 150 N -2.19 1.36 -1.21 3.52 1.01 -1.26 -0.56 120.40 121.07 1odl s VAL 150 Ca 0.01 -0.57 0.00 0.00 0.00 0.00 0.00 61.98 61.42 1odl s VAL 150 Cb -0.04 -1.35 0.00 0.00 0.00 0.00 0.00 36.38 34.99 1odl s VAL 150 CO -0.00 0.36 0.00 0.61 0.00 0.00 0.00 175.10 176.07 1odl n GLY 151 N 4.83 -0.62 3.87 4.51 0.00 -1.09 -4.93 105.19 111.75 1odl n GLY 151 Ca -0.15 -0.58 -0.32 0.00 0.00 0.00 0.00 46.02 44.97 1odl n GLY 151 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1odl s LEU 152 N 0.00 4.17 0.32 0.99 1.43 -1.25 0.15 118.68 124.48 1odl s LEU 152 Ca 0.00 1.00 0.03 0.00 -1.03 0.00 0.00 54.13 54.14 1odl s LEU 152 Cb 0.00 -3.70 -0.06 0.00 0.03 0.00 0.00 46.19 42.46 1odl s LEU 152 CO 0.00 -0.07 0.07 0.68 0.23 0.00 0.00 176.35 177.25 1odl s VAL 153 N -1.80 1.07 -0.07 -1.59 -7.23 -1.08 0.02 120.40 109.72 1odl s VAL 153 Ca 0.47 -2.00 0.03 0.00 -1.81 0.00 0.00 61.98 58.67 1odl s VAL 153 Cb -0.11 -2.76 0.01 0.00 0.56 0.00 0.00 36.38 34.08 1odl s VAL 153 CO 0.20 0.00 -0.15 0.00 -0.31 0.00 0.00 175.10 174.84 1odl s ALA 154 N -3.37 1.49 -0.40 1.32 0.00 0.02 -0.80 121.76 120.02 1odl s ALA 154 Ca 0.36 -0.55 -0.18 0.00 0.00 0.00 0.00 51.96 51.59 1odl s ALA 154 Cb 0.08 -0.63 0.01 0.00 0.00 0.00 0.00 23.12 22.59 1odl s ALA 154 CO 0.15 0.16 0.50 -1.12 0.00 0.00 0.00 175.76 175.45 1odl s SER 155 N 0.59 6.25 0.34 0.00 0.01 -0.31 -0.79 113.70 119.79 1odl s SER 155 Ca -0.16 -0.42 0.08 0.00 1.31 0.00 0.00 55.95 56.76 1odl s SER 155 Cb -0.16 -2.26 -0.03 0.00 0.21 0.00 0.00 66.02 63.78 1odl s SER 155 CO 0.05 -0.59 0.26 -1.83 0.41 0.00 0.00 173.24 171.53 1odl s GLU 156 N 2.36 2.64 -0.20 12.44 -1.05 -0.24 -1.62 118.70 133.04 1odl s GLU 156 Ca 0.16 -1.36 -0.08 0.00 -0.15 0.00 0.00 54.97 53.55 1odl s GLU 156 Cb -0.16 -2.40 -0.09 0.00 -0.44 0.00 0.00 34.13 31.03 1odl s GLU 156 CO 0.15 0.10 -0.24 -0.25 0.95 0.00 0.00 175.26 175.97 1odl n ASP 157 N -1.32 1.66 -4.43 0.83 10.43 -1.26 -4.54 116.55 117.92 1odl n ASP 157 Ca -0.02 0.17 -0.44 0.00 2.57 0.00 0.00 54.79 57.07 1odl n ASP 157 Cb 0.60 -0.53 -0.02 0.00 1.84 0.00 0.00 41.12 43.01 1odl n ASP 157 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 1odl s ALA 158 N -2.37 3.65 0.19 2.24 0.00 -1.26 -4.89 121.76 119.32 1odl s ALA 158 Ca -0.28 -3.00 -0.16 0.00 0.00 0.00 0.00 51.96 48.52 1odl s ALA 158 Cb 0.10 -3.95 0.18 0.00 0.00 0.00 0.00 23.12 19.44 1odl s ALA 158 CO 0.37 -2.80 1.63 0.35 0.00 0.00 0.00 175.76 175.31 1odl h PHE 159 N 8.29 -0.39 -0.23 0.00 3.57 -1.99 -1.36 116.94 124.83 1odl h PHE 159 Ca 0.18 0.05 0.00 0.00 3.53 0.00 0.00 57.97 61.73 1odl h PHE 159 Cb 1.00 0.26 0.00 0.00 2.79 0.00 0.00 35.95 39.99 1odl h PHE 159 CO 1.12 -0.27 0.00 0.66 -2.23 0.00 0.00 178.31 177.59 1odl n TYR 160 N -5.40 0.54 -0.05 0.41 4.02 -1.26 -3.77 117.16 111.65 1odl n TYR 160 Ca 0.05 -0.21 -0.00 0.00 -0.01 0.00 0.00 57.90 57.73 1odl n TYR 160 Cb 0.30 -0.12 -0.14 0.00 -0.02 0.00 0.00 39.34 39.36 1odl n TYR 160 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1odl n ALA 161 N 0.24 2.09 -2.30 -0.72 0.00 -0.52 -4.95 120.51 114.35 1odl n ALA 161 Ca 0.09 -0.81 -0.42 0.00 0.00 0.00 0.00 53.44 52.29 1odl n ALA 161 Cb 0.40 -0.35 -0.03 0.00 0.00 0.00 0.00 19.45 19.47 1odl n ALA 161 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1odl s THR 162 N -2.82 3.94 0.24 0.00 2.01 -1.22 -5.03 115.64 112.77 1odl s THR 162 Ca -0.08 1.27 0.05 0.00 0.31 0.00 0.00 61.69 63.25 1odl s THR 162 Cb 0.08 -3.82 -0.03 0.00 0.01 0.00 0.00 72.50 68.74 1odl s THR 162 CO 0.73 -0.03 0.36 0.42 -0.69 0.00 0.00 174.62 175.42 1odl s THR 163 N 2.65 5.24 0.39 -0.82 -4.23 -1.26 -4.85 115.64 112.76 1odl s THR 163 Ca 0.61 -0.99 0.06 0.00 -1.18 0.00 0.00 61.69 60.19 1odl s THR 163 Cb -0.28 -3.85 0.27 0.00 1.34 0.00 0.00 72.50 69.97 1odl s THR 163 CO 0.24 -0.33 2.04 -0.65 -0.54 0.00 0.00 174.62 175.37 1odl h PRO 164 N 1.16 0.64 -0.26 3.99 0.11 -1.96 -0.77 132.00 134.91 1odl h PRO 164 Ca -0.52 -0.04 -0.01 0.00 0.11 0.00 0.00 66.00 65.54 1odl h PRO 164 Cb 1.23 -0.14 -0.01 0.00 0.11 0.00 0.00 31.00 32.19 1odl h PRO 164 CO 0.61 0.42 0.12 1.49 -0.21 0.00 0.00 178.00 180.43 1odl h GLU 165 N 0.66 0.37 -0.58 1.05 4.81 -1.94 0.08 114.58 119.03 1odl h GLU 165 Ca 0.19 -0.06 -0.11 0.00 -0.13 0.00 0.00 59.36 59.25 1odl h GLU 165 Cb -0.05 -0.07 -0.02 0.00 0.63 0.00 0.00 28.75 29.25 1odl h GLU 165 CO -0.04 0.38 -0.05 0.93 -0.73 0.00 0.00 179.01 179.50 1odl h GLU 166 N 0.28 1.05 -0.63 1.92 5.08 -1.81 -2.17 114.58 118.30 1odl h GLU 166 Ca 0.09 -0.36 -0.03 0.00 -1.00 0.00 0.00 59.36 58.06 1odl h GLU 166 Cb 0.13 -0.08 -0.03 0.00 0.50 0.00 0.00 28.75 29.27 1odl h GLU 166 CO -0.01 1.06 0.26 0.00 -1.00 0.00 0.00 179.01 179.32 1odl h ALA 167 N 0.98 1.28 -0.35 3.43 0.00 -0.90 -1.29 119.26 122.42 1odl h ALA 167 Ca 0.16 -0.15 -0.14 0.00 0.00 0.00 0.00 54.91 54.78 1odl h ALA 167 Cb 0.61 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.14 1odl h ALA 167 CO 0.04 0.54 -0.33 0.00 0.00 0.00 0.00 179.25 179.49 1odl h ARG 168 N 0.90 0.77 -0.31 0.00 3.08 -0.75 -1.98 114.38 116.10 1odl h ARG 168 Ca 0.22 -0.37 -0.00 0.00 0.07 0.00 0.00 59.98 59.90 1odl h ARG 168 Cb 0.16 -0.01 -0.02 0.00 0.08 0.00 0.00 29.97 30.18 1odl h ARG 168 CO -0.02 0.99 0.19 0.00 -1.07 0.00 0.00 179.97 180.06 1odl h ALA 169 N 0.98 0.40 -0.42 0.04 0.00 -0.74 -2.61 119.26 116.90 1odl h ALA 169 Ca 0.07 -0.05 -0.04 0.00 0.00 0.00 0.00 54.91 54.89 1odl h ALA 169 Cb 0.87 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.52 1odl h ALA 169 CO 0.08 -0.11 0.08 -1.49 0.00 0.00 0.00 179.25 177.81 1odl h TRP 170 N 0.40 0.65 -0.43 0.00 4.06 -1.15 -2.49 115.95 116.99 1odl h TRP 170 Ca 0.11 -0.05 0.04 0.00 2.06 0.00 0.00 58.89 61.05 1odl h TRP 170 Cb 0.00 -0.19 -0.02 0.00 -1.00 0.00 0.00 29.16 27.95 1odl h TRP 170 CO -0.04 0.57 0.29 0.00 -3.56 0.00 0.00 178.44 175.70 1odl h ALA 171 N 1.48 1.86 0.00 1.49 0.00 -0.98 0.33 119.26 123.44 1odl h ALA 171 Ca 0.14 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.03 1odl h ALA 171 Cb 0.26 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.94 1odl h ALA 171 CO 0.00 0.08 0.00 0.54 0.00 0.00 0.00 179.25 179.87 1odl n ARG 172 N -4.48 0.12 -0.33 0.00 1.74 -0.94 -1.99 116.66 110.78 1odl n ARG 172 Ca 0.05 0.15 0.08 0.00 -0.77 0.00 0.00 57.85 57.35 1odl n ARG 172 Cb 0.18 -1.50 0.23 0.00 -1.02 0.00 0.00 32.46 30.35 1odl n ARG 172 CO 0.00 0.00 0.00 0.66 -1.52 0.00 0.00 177.63 176.77 1odl n TYR 173 N -1.40 0.80 0.00 -1.55 4.01 0.07 -4.95 117.16 114.14 1odl n TYR 173 Ca 0.07 -0.58 0.00 0.00 -0.16 0.00 0.00 57.90 57.22 1odl n TYR 173 Cb 0.19 -0.11 0.00 0.00 -0.31 0.00 0.00 39.34 39.11 1odl n TYR 173 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1odl n GLY 174 N 0.60 0.25 3.66 2.72 0.00 -0.84 -5.05 105.19 106.52 1odl n GLY 174 Ca 0.18 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.77 1odl n GLY 174 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1odl s VAL 175 N -2.00 4.04 -0.04 1.61 1.01 -1.01 -3.83 120.40 120.18 1odl s VAL 175 Ca 0.00 1.25 -0.15 0.00 0.00 0.00 0.00 61.98 63.08 1odl s VAL 175 Cb 0.00 -3.84 -0.31 0.00 0.00 0.00 0.00 36.38 32.22 1odl s VAL 175 CO 0.00 -0.15 0.76 -0.07 0.00 0.00 0.00 175.10 175.64 1odl h LEU 176 N 10.08 0.60 -7.66 3.92 3.38 -0.74 -3.34 115.31 121.55 1odl h LEU 176 Ca -0.30 -0.92 0.00 0.00 0.09 0.00 0.00 57.88 56.75 1odl h LEU 176 Cb 1.13 -0.19 -0.09 0.00 0.09 0.00 0.00 40.66 41.59 1odl h LEU 176 CO 0.97 1.67 0.11 0.00 0.09 0.00 0.00 178.44 181.28 1odl s ALA 177 N -2.53 -1.10 -0.11 1.53 0.00 -1.25 -1.55 121.76 116.75 1odl s ALA 177 Ca -0.15 -0.14 -0.02 0.00 0.00 0.00 0.00 51.96 51.65 1odl s ALA 177 Cb 0.04 0.87 -0.03 0.00 0.00 0.00 0.00 23.12 24.00 1odl s ALA 177 CO 0.85 -0.86 -0.03 -0.06 0.00 0.00 0.00 175.76 175.67 1odl s PHE 178 N -3.87 3.07 0.14 0.00 0.40 0.47 -0.80 117.98 117.38 1odl s PHE 178 Ca 0.09 -0.03 0.03 0.00 -0.60 0.00 0.00 56.93 56.42 1odl s PHE 178 Cb -0.02 -1.85 -0.01 0.00 0.51 0.00 0.00 43.02 41.65 1odl s PHE 178 CO -0.02 0.24 0.13 -0.85 0.70 0.00 0.00 175.22 175.43 1odl n GLU 179 N 2.73 0.19 -2.31 0.44 -0.00 0.03 -0.49 120.64 121.22 1odl n GLU 179 Ca -0.18 -1.33 -0.03 0.00 -0.00 0.00 0.00 57.16 55.62 1odl n GLU 179 Cb 0.53 1.12 0.05 0.00 -0.00 0.00 0.00 31.44 33.14 1odl n GLU 179 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.13 175.80 1odl n MET 180 N -0.26 1.71 0.00 3.44 2.81 -1.26 -1.08 117.12 122.48 1odl n MET 180 Ca 0.03 -3.32 0.00 0.00 -1.81 0.00 0.00 57.70 52.60 1odl n MET 180 Cb 0.25 -1.41 0.00 0.00 -0.71 0.00 0.00 33.22 31.34 1odl n MET 180 CO 0.00 0.00 0.00 0.39 1.51 0.00 0.00 175.97 177.87 1odl n GLU 181 N -0.43 0.00 -0.22 0.03 4.71 -1.26 -1.81 120.64 121.66 1odl n GLU 181 Ca 0.14 0.00 0.02 0.00 -0.01 0.00 0.00 57.16 57.30 1odl n GLU 181 Cb 0.89 -0.11 0.11 0.00 -1.01 0.00 0.00 31.44 31.31 1odl n GLU 181 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 1odl h ALA 182 N 0.00 0.61 -0.27 0.62 0.00 -1.96 -3.04 119.26 115.23 1odl h ALA 182 Ca 0.00 0.21 0.06 0.00 0.00 0.00 0.00 54.91 55.19 1odl h ALA 182 Cb 0.00 0.38 -0.07 0.00 0.00 0.00 0.00 17.79 18.10 1odl h ALA 182 CO 0.00 -0.41 -0.18 0.66 0.00 0.00 0.00 179.25 179.32 1odl h SER 183 N 0.09 -0.60 -0.78 0.00 4.64 -1.90 -0.64 113.55 114.36 1odl h SER 183 Ca 0.34 0.12 -0.02 0.00 -0.47 0.00 0.00 61.79 61.76 1odl h SER 183 Cb 0.56 0.31 -0.04 0.00 -0.31 0.00 0.00 62.40 62.92 1odl h SER 183 CO -0.58 -0.22 0.40 0.00 -0.87 0.00 0.00 176.83 175.56 1odl h ALA 184 N 0.98 1.00 0.13 5.18 0.00 -1.91 -1.03 119.26 123.61 1odl h ALA 184 Ca 0.15 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.92 1odl h ALA 184 Cb 0.39 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 1odl h ALA 184 CO -0.37 0.54 -0.13 1.25 0.00 0.00 0.00 179.25 180.54 1odl h LEU 185 N 1.09 -0.36 -0.39 0.00 5.85 -1.32 0.63 115.31 120.82 1odl h LEU 185 Ca 0.27 0.04 0.02 0.00 0.84 0.00 0.00 57.88 59.04 1odl h LEU 185 Cb 0.08 0.13 -0.03 0.00 0.37 0.00 0.00 40.66 41.21 1odl h LEU 185 CO -0.04 -0.20 0.22 -0.26 -0.34 0.00 0.00 178.44 177.82 1odl h PHE 186 N -0.29 0.42 0.10 1.25 0.05 -0.89 0.21 116.94 117.80 1odl h PHE 186 Ca 0.01 0.01 -0.00 0.00 3.82 0.00 0.00 57.97 61.81 1odl h PHE 186 Cb 0.28 -0.13 -0.01 0.00 2.00 0.00 0.00 35.95 38.09 1odl h PHE 186 CO -0.13 0.24 -0.08 1.25 -0.18 0.00 0.00 178.31 179.42 1odl h LEU 187 N 0.46 -0.20 -1.70 1.54 5.85 -0.97 -2.10 115.31 118.19 1odl h LEU 187 Ca 0.15 0.02 -0.01 0.00 0.84 0.00 0.00 57.88 58.88 1odl h LEU 187 Cb 0.01 0.06 -0.01 0.00 0.37 0.00 0.00 40.66 41.09 1odl h LEU 187 CO -0.07 -0.12 0.13 -0.07 -0.34 0.00 0.00 178.44 177.96 1odl h LEU 188 N -0.19 0.29 -0.56 2.25 3.38 -0.67 -0.86 115.31 118.96 1odl h LEU 188 Ca -0.00 -0.01 0.06 0.00 0.09 0.00 0.00 57.88 58.01 1odl h LEU 188 Cb 0.17 -0.07 -0.05 0.00 0.09 0.00 0.00 40.66 40.79 1odl h LEU 188 CO -0.00 0.24 0.28 1.23 0.09 0.00 0.00 178.44 180.27 1odl h GLY 189 N 0.40 0.79 0.83 0.83 0.00 -0.26 0.33 103.07 105.99 1odl h GLY 189 Ca 0.09 -0.18 -0.12 0.00 0.00 0.00 0.00 47.33 47.11 1odl h GLY 189 CO -0.01 0.10 -0.41 3.21 0.00 0.00 0.00 176.54 179.42 1odl h ARG 190 N 0.52 0.48 -0.53 4.80 2.47 -1.15 0.11 114.38 121.08 1odl h ARG 190 Ca 0.25 -0.37 -0.01 0.00 -1.26 0.00 0.00 59.98 58.60 1odl h ARG 190 Cb 0.19 0.07 -0.03 0.00 -1.65 0.00 0.00 29.97 28.55 1odl h ARG 190 CO -0.19 0.99 0.29 0.52 0.56 0.00 0.00 179.97 182.15 1odl h MET 191 N 0.07 0.74 -0.20 0.04 2.86 -0.81 -3.03 114.93 114.60 1odl h MET 191 Ca -0.02 -0.09 0.00 0.00 -2.06 0.00 0.00 59.70 57.54 1odl h MET 191 Cb 1.04 -0.15 0.00 0.00 0.06 0.00 0.00 31.60 32.56 1odl h MET 191 CO 0.09 0.57 0.00 0.54 1.06 0.00 0.00 176.91 179.17 1odl n ARG 192 N -4.63 2.06 -2.96 1.72 5.12 0.11 -4.97 116.66 113.11 1odl n ARG 192 Ca 0.03 -1.58 -0.15 0.00 -1.93 0.00 0.00 57.85 54.21 1odl n ARG 192 Cb 0.08 -1.45 0.04 0.00 -1.16 0.00 0.00 32.46 29.97 1odl n ARG 192 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1odl n GLY 193 N 1.29 -0.08 3.58 -0.13 0.00 -0.71 -5.04 105.19 104.10 1odl n GLY 193 Ca 0.17 -0.13 -0.27 0.00 0.00 0.00 0.00 46.02 45.80 1odl n GLY 193 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1odl s VAL 194 N -3.07 2.18 -0.17 1.61 -7.23 0.31 -5.03 120.40 109.00 1odl s VAL 194 Ca 0.28 -2.11 -0.14 0.00 -1.81 0.00 0.00 61.98 58.19 1odl s VAL 194 Cb -0.12 -2.78 -0.04 0.00 0.56 0.00 0.00 36.38 33.99 1odl s VAL 194 CO 0.35 -0.13 0.32 -0.13 -0.31 0.00 0.00 175.10 175.20 1odl s ARG 195 N -3.65 4.25 0.16 4.82 0.52 -0.17 -4.41 118.95 120.46 1odl s ARG 195 Ca 0.34 0.13 0.03 0.00 -0.52 0.00 0.00 55.73 55.71 1odl s ARG 195 Cb 0.05 -3.45 -0.05 0.00 0.52 0.00 0.00 34.95 32.02 1odl s ARG 195 CO 0.17 0.17 -0.05 0.95 0.02 0.00 0.00 175.30 176.57 1odl s THR 196 N 0.66 0.96 0.20 0.02 -4.23 -1.26 -0.83 115.64 111.16 1odl s THR 196 Ca 0.17 -2.02 -0.23 0.00 -1.18 0.00 0.00 61.69 58.43 1odl s THR 196 Cb -0.13 -2.00 0.05 0.00 1.34 0.00 0.00 72.50 71.76 1odl s THR 196 CO 0.05 -0.61 0.90 -0.83 -0.54 0.00 0.00 174.62 173.60 1odl s GLY 197 N -3.18 -0.15 -0.21 3.99 0.00 -0.77 -0.04 107.32 106.95 1odl s GLY 197 Ca 0.20 -0.05 -0.16 0.00 0.00 0.00 0.00 44.72 44.71 1odl s GLY 197 CO 0.02 0.12 0.55 0.00 0.00 0.00 0.00 173.10 173.80 1odl s ALA 198 N -3.32 -1.40 0.00 3.20 0.00 -1.26 -0.89 121.76 118.09 1odl s ALA 198 Ca 0.13 1.75 0.05 0.00 0.00 0.00 0.00 51.96 53.89 1odl s ALA 198 Cb -0.03 -1.03 -0.01 0.00 0.00 0.00 0.00 23.12 22.05 1odl s ALA 198 CO 0.04 -0.29 -0.15 -1.50 0.00 0.00 0.00 175.76 173.86 1odl s ILE 199 N 0.89 1.17 0.08 0.00 2.07 -0.59 -1.48 121.20 123.34 1odl s ILE 199 Ca -0.05 -0.74 0.05 0.00 -1.41 0.00 0.00 60.65 58.50 1odl s ILE 199 Cb -0.05 -1.00 -0.03 0.00 0.13 0.00 0.00 42.46 41.51 1odl s ILE 199 CO -0.07 0.24 -0.13 -0.76 -1.91 0.00 0.00 174.94 172.31 1odl s LEU 200 N -0.58 2.31 -0.19 8.50 1.43 0.47 -2.60 118.68 128.02 1odl s LEU 200 Ca 0.05 -0.67 -0.02 0.00 -1.03 0.00 0.00 54.13 52.46 1odl s LEU 200 Cb -0.06 -0.47 -0.01 0.00 0.03 0.00 0.00 46.19 45.68 1odl s LEU 200 CO 0.00 -0.12 -0.09 0.00 0.23 0.00 0.00 176.35 176.38 1odl s ALA 201 N -1.57 2.70 -0.06 4.21 0.00 -0.26 0.37 121.76 127.16 1odl s ALA 201 Ca 0.00 -1.11 -0.30 0.00 0.00 0.00 0.00 51.96 50.56 1odl s ALA 201 Cb -0.08 -1.51 -0.05 0.00 0.00 0.00 0.00 23.12 21.47 1odl s ALA 201 CO 0.02 -0.26 1.58 0.08 0.00 0.00 0.00 175.76 177.18 1odl s VAL 202 N 1.19 3.66 -1.14 0.00 1.01 -0.50 -2.20 120.40 122.41 1odl s VAL 202 Ca 0.02 0.84 0.18 0.00 0.00 0.00 0.00 61.98 63.02 1odl s VAL 202 Cb -0.14 -3.54 -0.12 0.00 0.00 0.00 0.00 36.38 32.57 1odl s VAL 202 CO -0.03 -0.06 0.82 -1.54 0.00 0.00 0.00 175.10 174.28 1odl n SER 203 N 6.82 1.18 -1.55 3.32 3.41 -0.66 0.51 113.62 126.64 1odl n SER 203 Ca 0.16 -1.09 0.01 0.00 -0.26 0.00 0.00 58.87 57.69 1odl n SER 203 Cb 0.43 0.81 0.00 0.00 -0.26 0.00 0.00 64.21 65.19 1odl n SER 203 CO 0.00 0.00 0.00 -0.46 -0.16 0.00 0.00 175.04 174.42 1odl n ASN 204 N -0.93 -0.19 -4.11 4.04 6.94 -1.24 -0.59 115.26 119.18 1odl n ASN 204 Ca 0.05 -1.01 -0.24 0.00 -0.02 0.00 0.00 54.58 53.35 1odl n ASN 204 Cb 0.32 0.29 -0.16 0.00 -2.36 0.00 0.00 39.78 37.87 1odl n ASN 204 CO 0.00 0.00 0.00 -0.13 -1.03 0.00 0.00 177.26 176.10 1odl s ARG 205 N -2.00 1.48 -0.18 -3.83 0.52 -1.26 -0.22 118.95 113.45 1odl s ARG 205 Ca 0.06 -0.54 -0.37 0.00 -0.52 0.00 0.00 55.73 54.37 1odl s ARG 205 Cb -0.00 -1.34 -0.13 0.00 0.52 0.00 0.00 34.95 34.00 1odl s ARG 205 CO -0.00 0.25 1.85 -0.89 0.02 0.00 0.00 175.30 176.52 1odl n ILE 206 N 3.04 0.46 0.00 1.52 5.41 -0.84 -1.24 119.36 127.71 1odl n ILE 206 Ca -0.17 -0.10 0.00 0.00 1.00 0.00 0.00 62.75 63.48 1odl n ILE 206 Cb 0.54 -1.62 0.00 0.00 -0.71 0.00 0.00 39.64 37.85 1odl n ILE 206 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1odl n GLY 207 N 4.46 1.06 3.71 7.39 0.00 -1.26 -4.52 105.19 116.04 1odl n GLY 207 Ca 0.25 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.85 1odl n GLY 207 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1odl s ASP 208 N -1.12 6.79 0.41 1.61 -0.00 -0.38 -4.91 116.67 119.07 1odl s ASP 208 Ca 0.00 2.33 0.21 0.00 -0.00 0.00 0.00 52.55 55.09 1odl s ASP 208 Cb 0.00 -2.58 0.80 0.00 -0.00 0.00 0.00 42.92 41.14 1odl s ASP 208 CO 0.00 -0.69 1.78 1.55 -0.00 0.00 0.00 175.17 177.81 1odl h PRO 209 N 7.07 0.00 -5.23 8.23 0.13 -1.99 -3.45 132.00 136.76 1odl h PRO 209 Ca -0.42 0.00 -0.41 0.00 -0.87 0.00 0.00 66.00 64.31 1odl h PRO 209 Cb 1.20 0.00 -0.14 0.00 0.13 0.00 0.00 31.00 32.19 1odl h PRO 209 CO 0.88 0.29 -0.68 -1.21 -0.23 0.00 0.00 178.00 177.06 1odl s GLU 210 N -3.64 1.35 0.86 0.86 2.02 -1.26 -5.16 118.70 113.72 1odl s GLU 210 Ca 0.00 -1.66 -0.12 0.00 0.02 0.00 0.00 54.97 53.21 1odl s GLU 210 Cb 0.11 -0.80 0.19 0.00 0.10 0.00 0.00 34.13 33.73 1odl s GLU 210 CO 0.66 -0.01 1.17 1.28 0.02 0.00 0.00 175.26 178.38 1odl n LEU 211 N -0.42 0.00 -4.85 1.80 4.77 -1.26 -4.88 117.00 112.16 1odl n LEU 211 Ca -0.06 -1.47 -0.31 0.00 -0.03 0.00 0.00 56.01 54.14 1odl n LEU 211 Cb 0.63 -0.88 0.04 0.00 -2.33 0.00 0.00 43.42 40.88 1odl n LEU 211 CO 0.37 -1.30 0.72 0.00 -1.33 0.00 0.00 177.39 175.85 1odl s ALA 212 N -3.81 2.81 -0.02 -1.18 0.00 0.25 -4.94 121.76 114.86 1odl s ALA 212 Ca 0.68 -0.11 -0.38 0.00 0.00 0.00 0.00 51.96 52.15 1odl s ALA 212 Cb -0.02 -3.10 -0.16 0.00 0.00 0.00 0.00 23.12 19.84 1odl s ALA 212 CO 0.47 -1.10 1.48 -2.30 0.00 0.00 0.00 175.76 174.31 1odl n PRO 213 N -3.02 1.21 -0.40 0.00 -0.02 -1.26 -4.70 135.00 126.80 1odl n PRO 213 Ca 0.07 0.44 0.34 0.00 -2.02 0.00 0.00 63.50 62.33 1odl n PRO 213 Cb 0.55 -2.10 0.67 0.00 -0.02 0.00 0.00 33.50 32.59 1odl n PRO 213 CO 0.00 0.00 0.00 -1.00 1.98 0.00 0.00 175.50 176.48 1odl h PRO 214 N 5.48 0.13 0.87 0.52 0.13 -1.98 -0.23 132.00 136.92 1odl h PRO 214 Ca -0.47 -0.01 -0.04 0.00 -0.87 0.00 0.00 66.00 64.61 1odl h PRO 214 Cb 1.33 -0.03 0.01 0.00 0.13 0.00 0.00 31.00 32.44 1odl h PRO 214 CO 0.84 0.09 -0.42 1.49 -0.23 0.00 0.00 178.00 179.77 1odl h GLU 215 N 0.13 -1.12 -0.77 0.86 4.81 -1.99 0.25 114.58 116.75 1odl h GLU 215 Ca 0.69 0.08 0.00 0.00 -0.13 0.00 0.00 59.36 60.00 1odl h GLU 215 Cb 2.32 0.26 -0.04 0.00 0.63 0.00 0.00 28.75 31.92 1odl h GLU 215 CO -0.20 -0.75 0.49 0.28 -0.73 0.00 0.00 179.01 178.11 1odl h VAL 216 N -1.24 1.21 -0.50 0.32 2.07 -1.58 -2.80 116.25 113.73 1odl h VAL 216 Ca -0.12 -0.41 -0.05 0.00 0.82 0.00 0.00 66.70 66.94 1odl h VAL 216 Cb 0.89 0.10 -0.02 0.00 -1.52 0.00 0.00 31.29 30.74 1odl h VAL 216 CO 0.20 0.21 0.11 0.25 0.02 0.00 0.00 177.57 178.35 1odl h LEU 217 N 1.05 0.77 -1.14 2.57 6.46 -1.07 -3.00 115.31 120.95 1odl h LEU 217 Ca 0.28 -0.24 -0.01 0.00 -0.12 0.00 0.00 57.88 57.79 1odl h LEU 217 Cb -0.08 -0.20 -0.04 0.00 -0.73 0.00 0.00 40.66 39.61 1odl h LEU 217 CO -0.06 0.81 0.43 -0.61 -0.62 0.00 0.00 178.44 178.39 1odl h GLN 218 N 0.70 1.02 -0.52 1.25 5.75 -0.28 -2.33 115.11 120.70 1odl h GLN 218 Ca 0.16 -0.10 -0.03 0.00 -0.15 0.00 0.00 58.65 58.52 1odl h GLN 218 Cb 0.35 -0.21 -0.02 0.00 1.07 0.00 0.00 27.48 28.67 1odl h GLN 218 CO 0.00 0.73 0.20 1.49 -2.65 0.00 0.00 178.83 178.60 1odl h GLU 219 N 1.03 0.78 -0.55 1.69 4.57 -1.40 -1.42 114.58 119.28 1odl h GLU 219 Ca 0.27 -0.15 0.06 0.00 -1.18 0.00 0.00 59.36 58.36 1odl h GLU 219 Cb -0.01 -0.12 -0.05 0.00 -0.16 0.00 0.00 28.75 28.41 1odl h GLU 219 CO -0.05 0.69 0.26 0.78 -1.18 0.00 0.00 179.01 179.52 1odl h GLY 220 N 0.70 0.78 1.02 1.92 0.00 -1.30 -0.31 103.07 105.87 1odl h GLY 220 Ca 0.17 -0.17 -0.02 0.00 0.00 0.00 0.00 47.33 47.32 1odl h GLY 220 CO -0.01 0.08 0.43 -2.08 0.00 0.00 0.00 176.54 174.96 1odl h VAL 221 N 0.50 1.24 0.44 4.60 2.07 -1.12 0.28 116.25 124.25 1odl h VAL 221 Ca 0.25 -0.59 -0.01 0.00 0.82 0.00 0.00 66.70 67.17 1odl h VAL 221 Cb 0.20 0.19 -0.01 0.00 -1.52 0.00 0.00 31.29 30.15 1odl h VAL 221 CO -0.20 0.26 -0.29 -0.09 0.02 0.00 0.00 177.57 177.28 1odl h ARG 222 N 1.10 -0.67 -0.52 1.57 2.43 -0.16 -0.16 114.38 117.96 1odl h ARG 222 Ca 0.28 0.05 0.04 0.00 -0.81 0.00 0.00 59.98 59.53 1odl h ARG 222 Cb 0.04 0.15 -0.04 0.00 -0.42 0.00 0.00 29.97 29.70 1odl h ARG 222 CO -0.04 -0.45 0.28 0.00 -1.51 0.00 0.00 179.97 178.25 1odl h ARG 223 N -0.70 0.53 -0.12 0.20 3.08 -0.91 -1.41 114.38 115.05 1odl h ARG 223 Ca -0.05 -0.03 0.04 0.00 0.07 0.00 0.00 59.98 60.01 1odl h ARG 223 Cb 0.58 -0.12 -0.04 0.00 0.08 0.00 0.00 29.97 30.47 1odl h ARG 223 CO 0.04 0.35 -0.14 1.98 -1.07 0.00 0.00 179.97 181.13 1odl h MET 224 N 0.55 -0.17 -0.85 0.04 4.05 -0.71 -0.71 114.93 117.12 1odl h MET 224 Ca 0.23 0.01 -0.02 0.00 -0.28 0.00 0.00 59.70 59.63 1odl h MET 224 Cb 0.11 0.04 -0.04 0.00 -0.80 0.00 0.00 31.60 30.91 1odl h MET 224 CO -0.14 -0.11 0.44 0.28 0.23 0.00 0.00 176.91 177.61 1odl h VAL 225 N -0.18 1.25 -0.02 -5.77 2.07 -0.70 -1.21 116.25 111.70 1odl h VAL 225 Ca 0.09 -0.66 0.00 0.00 0.82 0.00 0.00 66.70 66.95 1odl h VAL 225 Cb 0.31 0.13 -0.00 0.00 -1.52 0.00 0.00 31.29 30.20 1odl h VAL 225 CO -0.22 0.29 0.01 -0.08 0.02 0.00 0.00 177.57 177.59 1odl h GLU 226 N 1.19 0.02 0.05 1.57 4.81 -0.74 0.59 114.58 122.08 1odl h GLU 226 Ca 0.30 -0.00 0.02 0.00 -0.13 0.00 0.00 59.36 59.54 1odl h GLU 226 Cb 0.06 -0.00 -0.03 0.00 0.63 0.00 0.00 28.75 29.41 1odl h GLU 226 CO -0.04 0.01 -0.17 0.28 -0.73 0.00 0.00 179.01 178.36 1odl h VAL 227 N 0.02 0.60 -0.30 0.32 2.07 -0.81 -1.36 116.25 116.78 1odl h VAL 227 Ca 0.01 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.57 1odl h VAL 227 Cb 0.00 0.60 -0.04 0.00 -1.52 0.00 0.00 31.29 30.33 1odl h VAL 227 CO -0.01 0.00 0.06 0.00 0.02 0.00 0.00 177.57 177.64 1odl h ALA 228 N 0.57 0.31 -0.21 1.67 0.00 -1.00 -0.03 119.26 120.57 1odl h ALA 228 Ca 0.04 0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.01 1odl h ALA 228 Cb 0.35 0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.21 1odl h ALA 228 CO -0.13 -0.35 0.14 -0.07 0.00 0.00 0.00 179.25 178.84 1odl h LEU 229 N 0.17 0.24 0.06 0.00 3.38 -0.71 0.12 115.31 118.56 1odl h LEU 229 Ca 0.14 -0.01 0.02 0.00 0.09 0.00 0.00 57.88 58.12 1odl h LEU 229 Cb 0.15 -0.06 -0.03 0.00 0.09 0.00 0.00 40.66 40.81 1odl h LEU 229 CO -0.19 0.18 -0.21 -0.33 0.09 0.00 0.00 178.44 177.98 1odl h GLU 230 N 0.29 -0.35 -0.43 1.13 4.39 -0.96 -3.05 114.58 115.59 1odl h GLU 230 Ca 0.08 0.02 0.05 0.00 0.34 0.00 0.00 59.36 59.86 1odl h GLU 230 Cb -0.03 0.08 -0.05 0.00 -0.10 0.00 0.00 28.75 28.65 1odl h GLU 230 CO -0.02 -0.23 0.15 0.00 -1.16 0.00 0.00 179.01 177.75 1odl h ALA 231 N 0.48 0.51 0.00 3.43 0.00 -0.69 -2.55 119.26 120.44 1odl h ALA 231 Ca 0.04 0.06 -0.00 0.00 0.00 0.00 0.00 54.91 55.01 1odl h ALA 231 Cb 0.41 0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.24 1odl h ALA 231 CO -0.15 -0.24 -0.01 -0.39 0.00 0.00 0.00 179.25 178.45 1odl h VAL 232 N 0.31 0.69 -0.06 0.00 -1.51 -0.87 -2.00 116.25 112.81 1odl h VAL 232 Ca 0.20 -0.04 -0.20 0.00 -1.23 0.00 0.00 66.70 65.42 1odl h VAL 232 Cb 0.20 1.03 -0.00 0.00 -2.13 0.00 0.00 31.29 30.38 1odl h VAL 232 CO -0.21 0.01 -0.81 -0.07 -1.23 0.00 0.00 177.57 175.27 1odl h LEU 233 N 0.00 0.57 0.00 4.19 4.07 -1.38 -3.20 115.31 119.56 1odl h LEU 233 Ca -0.00 -0.40 0.00 0.00 0.08 0.00 0.00 57.88 57.56 1odl h LEU 233 Cb 0.03 -0.17 0.00 0.00 1.08 0.00 0.00 40.66 41.60 1odl h LEU 233 CO 0.00 1.17 0.00 -0.62 -1.08 0.00 0.00 178.44 177.91 1odl n GLU 234 N -3.82 0.41 0.00 1.13 1.02 -0.75 -5.15 120.64 113.47 1odl n GLU 234 Ca -0.06 0.05 0.00 0.00 -0.02 0.00 0.00 57.16 57.14 1odl n GLU 234 Cb 0.75 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 30.67 1odl n GLU 234 CO 0.00 0.00 0.00 1.33 1.18 0.00 0.00 177.13 179.64