#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2oik s PHE 7 N 0.00 0.08 -0.37 0.00 2.19 -1.26 -1.98 117.98 116.63 2oik s PHE 7 Ca 0.00 -0.20 -0.20 0.00 0.33 0.00 0.00 56.93 56.86 2oik s PHE 7 Cb 0.00 -0.62 0.01 0.00 -1.31 0.00 0.00 43.02 41.10 2oik s PHE 7 CO 0.00 -0.55 0.62 -3.38 1.83 0.00 0.00 175.22 173.74 2oik s HIS 8 N 2.19 3.14 0.65 10.12 0.00 -1.26 -4.96 115.29 125.16 2oik s HIS 8 Ca 0.03 0.24 0.31 0.00 -3.00 0.00 0.00 55.06 52.65 2oik s HIS 8 Cb -0.16 -3.15 1.69 0.00 -4.00 0.00 0.00 32.58 26.96 2oik s HIS 8 CO -0.11 -0.67 1.98 0.87 -1.00 0.00 0.00 174.74 175.82 2oik h LYS 9 N 8.55 0.00 -0.28 -0.38 1.57 -1.99 -1.87 116.57 122.16 2oik h LYS 9 Ca -0.26 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.52 2oik h LYS 9 Cb 1.11 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.42 2oik h LYS 9 CO 0.84 0.00 0.00 0.09 -0.57 0.00 0.00 179.45 179.81 2oik n ASN 10 N -3.14 3.03 -4.61 0.86 3.02 -1.26 -4.88 115.26 108.28 2oik n ASN 10 Ca -0.00 -1.88 -0.41 0.00 -0.03 0.00 0.00 54.58 52.25 2oik n ASN 10 Cb 0.39 -0.18 -0.06 0.00 -0.61 0.00 0.00 39.78 39.31 2oik n ASN 10 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2oik h GLU 12 N 8.12 0.00 0.00 0.00 9.09 -1.91 -0.38 114.58 129.50 2oik h GLU 12 Ca -0.26 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.15 2oik h GLU 12 Cb 1.11 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.21 2oik h GLU 12 CO 0.81 0.00 -0.24 1.28 0.05 0.00 0.00 179.01 180.91 2oik n LEU 13 N -4.20 0.28 0.04 3.06 4.77 -1.26 -0.64 117.00 119.05 2oik n LEU 13 Ca -0.02 0.27 -0.14 0.00 -0.03 0.00 0.00 56.01 56.10 2oik n LEU 13 Cb 0.13 -0.37 -0.14 0.00 -2.33 0.00 0.00 43.42 40.71 2oik n LEU 13 CO 0.31 0.04 -0.32 0.00 -1.33 0.00 0.00 177.39 176.09 2oik n THR 15 N -3.36 0.00 -4.10 0.00 -2.24 -0.65 -4.97 114.28 98.96 2oik n THR 15 Ca -0.15 -0.11 -0.13 0.00 -2.27 0.00 0.00 64.05 61.39 2oik n THR 15 Cb 1.03 0.87 -0.11 0.00 -2.10 0.00 0.00 70.33 70.02 2oik n THR 15 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 2oik s THR 16 N -2.87 0.67 0.16 4.28 -4.23 0.19 -5.05 115.64 108.79 2oik s THR 16 Ca 0.05 -1.29 -0.15 0.00 -1.18 0.00 0.00 61.69 59.12 2oik s THR 16 Cb 0.14 -0.90 0.04 0.00 1.34 0.00 0.00 72.50 73.12 2oik s THR 16 CO 0.78 -0.46 1.76 0.00 -0.54 0.00 0.00 174.62 176.17 2oik h ALA 17 N 4.14 0.49 0.00 3.99 0.00 -1.91 -3.42 119.26 122.55 2oik h ALA 17 Ca -0.36 0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.59 2oik h ALA 17 Cb 1.19 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.99 2oik h ALA 17 CO 0.45 -0.23 0.00 0.41 0.00 0.00 0.00 179.25 179.88 2oik n GLY 18 N -1.23 0.69 0.00 0.00 0.00 -1.26 -4.95 105.19 98.44 2oik n GLY 18 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.04 2oik n GLY 18 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2oik n GLY 19 N -1.63 -0.10 3.66 -0.02 0.00 -1.26 -4.67 105.19 101.16 2oik n GLY 19 Ca 0.00 -1.69 -0.43 0.00 0.00 0.00 0.00 46.02 43.90 2oik n GLY 19 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2oik s GLU 20 N -1.73 4.24 -0.03 1.61 2.12 -0.74 -4.79 118.70 119.38 2oik s GLU 20 Ca 0.00 1.68 -0.30 0.00 0.36 0.00 0.00 54.97 56.71 2oik s GLU 20 Cb 0.00 -3.75 -0.04 0.00 0.26 0.00 0.00 34.13 30.60 2oik s GLU 20 CO 0.00 -0.69 1.33 0.42 -0.54 0.00 0.00 175.26 175.78 2oik s ILE 21 N 3.38 3.94 -0.19 -3.70 1.01 -1.26 -0.89 121.20 123.49 2oik s ILE 21 Ca 0.56 1.29 0.14 0.00 0.00 0.00 0.00 60.65 62.64 2oik s ILE 21 Cb -0.22 -3.83 -0.21 0.00 0.01 0.00 0.00 42.46 38.20 2oik s ILE 21 CO 0.16 -0.01 0.02 0.18 0.00 0.00 0.00 174.94 175.29 2oik n LEU 22 N 5.45 0.43 -3.55 2.97 4.77 0.89 -4.96 117.00 123.00 2oik n LEU 22 Ca 0.12 -0.02 -0.17 0.00 -0.03 0.00 0.00 56.01 55.91 2oik n LEU 22 Cb 0.45 0.27 -0.06 0.00 -2.33 0.00 0.00 43.42 41.74 2oik n LEU 22 CO 0.57 0.51 0.39 0.86 -1.33 0.00 0.00 177.39 178.39 2oik s TRP 23 N -2.44 -0.60 0.10 -1.77 -0.00 -1.18 -4.82 118.94 108.23 2oik s TRP 23 Ca -0.12 1.01 -0.24 0.00 -0.00 0.00 0.00 56.10 56.75 2oik s TRP 23 Cb 0.06 0.38 0.07 0.00 -0.00 0.00 0.00 33.47 33.97 2oik s TRP 23 CO 0.71 -0.59 0.60 1.14 -0.00 0.00 0.00 176.95 178.81 2oik s GLN 24 N -1.26 1.19 0.00 5.86 -2.07 -1.26 -0.87 119.66 121.25 2oik s GLN 24 Ca -0.11 -0.29 0.00 0.00 -1.82 0.00 0.00 55.36 53.14 2oik s GLN 24 Cb -0.01 0.55 0.00 0.00 -1.09 0.00 0.00 33.01 32.47 2oik s GLN 24 CO 0.09 -0.48 0.00 -0.40 -1.32 0.00 0.00 175.29 173.18 2oik n ASP 25 N 0.00 0.00 -0.17 12.60 5.68 -0.35 -5.01 116.55 129.29 2oik n ASP 25 Ca -0.18 -0.73 -0.08 0.00 -0.50 0.00 0.00 54.79 53.31 2oik n ASP 25 Cb 0.63 0.00 0.02 0.00 -1.14 0.00 0.00 41.12 40.62 2oik n ASP 25 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2oik h ALA 26 N 1.14 0.64 -0.14 2.12 0.00 -2.03 -3.21 119.26 117.79 2oik h ALA 26 Ca 0.00 -0.09 -0.21 0.00 0.00 0.00 0.00 54.91 54.61 2oik h ALA 26 Cb 0.00 -0.20 0.01 0.00 0.00 0.00 0.00 17.79 17.59 2oik h ALA 26 CO 0.00 0.16 -0.75 1.25 0.00 0.00 0.00 179.25 179.90 2oik h LEU 27 N 0.67 0.80 -8.09 0.00 5.85 -1.98 -3.44 115.31 109.12 2oik h LEU 27 Ca 0.18 -0.52 -0.01 0.00 0.84 0.00 0.00 57.88 58.36 2oik h LEU 27 Cb 0.04 -0.24 -0.05 0.00 0.37 0.00 0.00 40.66 40.79 2oik h LEU 27 CO -0.03 1.30 0.13 0.00 -0.34 0.00 0.00 178.44 179.51 2oik s ARG 29 N -3.43 0.38 -0.13 0.00 1.70 -0.15 -1.21 118.95 116.10 2oik s ARG 29 Ca 0.16 -0.72 -0.00 0.00 -0.47 0.00 0.00 55.73 54.70 2oik s ARG 29 Cb -0.04 0.09 -0.02 0.00 -0.57 0.00 0.00 34.95 34.41 2oik s ARG 29 CO 0.10 -0.05 -0.13 0.08 -1.08 0.00 0.00 175.30 174.22 2oik s VAL 30 N -1.83 3.10 0.08 4.99 1.01 -0.05 -0.13 120.40 127.57 2oik s VAL 30 Ca -0.12 -0.65 0.06 0.00 0.00 0.00 0.00 61.98 61.28 2oik s VAL 30 Cb -0.07 -2.30 -0.03 0.00 0.00 0.00 0.00 36.38 33.97 2oik s VAL 30 CO -0.02 0.53 -0.17 0.68 0.00 0.00 0.00 175.10 176.11 2oik s VAL 31 N 0.31 1.36 -0.23 2.92 -7.23 -0.26 -0.08 120.40 117.19 2oik s VAL 31 Ca -0.10 -1.35 -0.19 0.00 -1.81 0.00 0.00 61.98 58.53 2oik s VAL 31 Cb -0.16 -1.26 -0.03 0.00 0.56 0.00 0.00 36.38 35.50 2oik s VAL 31 CO 0.05 -0.12 0.57 -2.28 -0.31 0.00 0.00 175.10 173.01 2oik s HIS 32 N -1.16 3.32 -0.15 2.82 5.65 -0.07 -1.27 115.29 124.43 2oik s HIS 32 Ca 0.02 0.78 -0.22 0.00 0.25 0.00 0.00 55.06 55.89 2oik s HIS 32 Cb -0.10 -2.75 -0.03 0.00 -1.18 0.00 0.00 32.58 28.52 2oik s HIS 32 CO 0.03 -0.22 0.65 0.08 -0.65 0.00 0.00 174.74 174.62 2oik s VAL 33 N 2.09 5.04 -1.13 0.89 1.01 -0.39 -1.79 120.40 126.11 2oik s VAL 33 Ca 0.25 1.27 -0.16 0.00 0.00 0.00 0.00 61.98 63.34 2oik s VAL 33 Cb -0.16 -3.97 0.15 0.00 0.00 0.00 0.00 36.38 32.40 2oik s VAL 33 CO 0.09 0.17 1.37 -1.61 0.00 0.00 0.00 175.10 175.13 2oik s GLU 34 N 1.46 3.94 -0.27 2.72 2.02 -1.26 -4.49 118.70 122.82 2oik s GLU 34 Ca 0.32 -2.28 -0.11 0.00 0.02 0.00 0.00 54.97 52.92 2oik s GLU 34 Cb -0.16 -5.07 -0.05 0.00 0.10 0.00 0.00 34.13 28.95 2oik s GLU 34 CO 0.13 -1.82 0.17 1.21 0.02 0.00 0.00 175.26 174.97 2oik s ASN 35 N 3.20 5.98 0.58 -0.19 3.84 -1.26 -4.98 114.94 122.11 2oik s ASN 35 Ca 0.41 0.00 0.29 0.00 0.21 0.00 0.00 52.86 53.77 2oik s ASN 35 Cb -0.03 -2.10 1.75 0.00 -0.55 0.00 0.00 41.25 40.32 2oik s ASN 35 CO -0.02 -0.02 2.23 1.56 -2.79 0.00 0.00 177.10 178.06 2oik h GLN 36 N 8.15 0.00 0.00 0.43 7.50 -1.97 -2.49 115.11 126.73 2oik h GLN 36 Ca -0.36 0.00 0.00 0.00 0.50 0.00 0.00 58.65 58.79 2oik h GLN 36 Cb 1.18 0.00 0.00 0.00 0.05 0.00 0.00 27.48 28.71 2oik h GLN 36 CO 0.58 0.02 -1.15 -0.25 -1.50 0.00 0.00 178.83 176.53 2oik n ASP 37 N -3.86 0.67 -3.27 1.46 8.00 -1.26 -4.57 116.55 113.71 2oik n ASP 37 Ca -0.03 -0.53 -0.25 0.00 0.71 0.00 0.00 54.79 54.69 2oik n ASP 37 Cb 0.10 1.06 -0.08 0.00 -0.02 0.00 0.00 41.12 42.18 2oik n ASP 37 CO 0.00 0.00 0.00 -1.22 -0.39 0.00 0.00 177.20 175.59 2oik n TYR 38 N -1.77 0.07 -1.71 1.24 4.01 -0.94 -4.72 117.16 113.33 2oik n TYR 38 Ca 0.02 -3.60 -0.43 0.00 -0.16 0.00 0.00 57.90 53.73 2oik n TYR 38 Cb 0.40 -0.27 -0.01 0.00 -0.31 0.00 0.00 39.34 39.15 2oik n TYR 38 CO 0.00 0.00 0.00 -0.35 -0.46 0.00 0.00 176.86 176.05 2oik n PRO 39 N 1.61 2.30 -0.43 -0.72 -0.04 -1.22 -2.28 135.00 134.22 2oik n PRO 39 Ca 0.24 0.81 0.00 0.00 -0.04 0.00 0.00 63.50 64.51 2oik n PRO 39 Cb 0.50 -2.47 0.00 0.00 -0.04 0.00 0.00 33.50 31.49 2oik n PRO 39 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2oik n GLY 40 N 1.36 0.92 3.66 0.55 0.00 -1.26 -4.80 105.19 105.62 2oik n GLY 40 Ca 0.07 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.67 2oik n GLY 40 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 2oik s PHE 41 N -2.96 1.66 0.25 1.61 2.19 -0.97 -4.60 117.98 115.17 2oik s PHE 41 Ca 0.00 -0.11 0.12 0.00 0.33 0.00 0.00 56.93 57.27 2oik s PHE 41 Cb 0.00 -4.07 -0.05 0.00 -1.31 0.00 0.00 43.02 37.59 2oik s PHE 41 CO 0.00 -4.66 -0.21 0.00 1.83 0.00 0.00 175.22 172.18 2oik s ARG 43 N -3.26 1.16 -0.38 0.00 0.52 -0.40 -0.51 118.95 116.08 2oik s ARG 43 Ca 0.27 -0.45 -0.14 0.00 -0.52 0.00 0.00 55.73 54.89 2oik s ARG 43 Cb -0.06 -1.08 0.01 0.00 0.52 0.00 0.00 34.95 34.33 2oik s ARG 43 CO 0.13 0.23 0.27 0.08 0.02 0.00 0.00 175.30 176.04 2oik s VAL 44 N -0.13 5.24 -0.21 3.52 1.01 -0.19 -1.10 120.40 128.55 2oik s VAL 44 Ca 0.02 -0.50 -0.04 0.00 0.00 0.00 0.00 61.98 61.46 2oik s VAL 44 Cb -0.07 -3.83 -0.02 0.00 0.00 0.00 0.00 36.38 32.46 2oik s VAL 44 CO 0.00 -0.19 -0.02 -0.63 0.00 0.00 0.00 175.10 174.26 2oik s ILE 45 N 1.69 3.67 0.30 2.22 1.01 0.81 -0.51 121.20 130.38 2oik s ILE 45 Ca 0.05 -0.40 -0.30 0.00 0.00 0.00 0.00 60.65 60.00 2oik s ILE 45 Cb -0.18 -2.66 -0.11 0.00 0.01 0.00 0.00 42.46 39.52 2oik s ILE 45 CO 0.10 0.43 1.51 -0.22 0.00 0.00 0.00 174.94 176.76 2oik s LEU 46 N 1.21 4.36 0.06 2.97 2.96 -0.75 -0.98 118.68 128.51 2oik s LEU 46 Ca 0.03 2.88 -0.19 0.00 -0.22 0.00 0.00 54.13 56.62 2oik s LEU 46 Cb -0.14 -3.64 -0.11 0.00 0.50 0.00 0.00 46.19 42.79 2oik s LEU 46 CO 0.00 -0.83 1.44 0.78 -1.32 0.00 0.00 176.35 176.43 2oik h ASN 47 N 4.45 0.40 -3.28 3.68 2.35 -1.51 -3.44 115.58 118.23 2oik h ASN 47 Ca -0.48 -0.39 -0.48 0.00 -0.55 0.00 0.00 56.30 54.41 2oik h ASN 47 Cb 1.22 -0.11 0.04 0.00 0.05 0.00 0.00 38.32 39.52 2oik h ASN 47 CO 0.75 0.70 0.04 0.00 -1.65 0.00 0.00 177.43 177.27 2oik s ARG 48 N -4.68 3.23 -0.57 0.81 1.70 -1.26 -4.88 118.95 113.30 2oik s ARG 48 Ca -0.14 -0.11 -0.25 0.00 -0.47 0.00 0.00 55.73 54.77 2oik s ARG 48 Cb 0.06 -2.43 0.04 0.00 -0.57 0.00 0.00 34.95 32.06 2oik s ARG 48 CO 0.75 -0.33 0.99 -1.58 -1.08 0.00 0.00 175.30 174.05 2oik s HIS 49 N -2.72 2.74 -0.01 5.89 5.65 -0.84 -4.76 115.29 121.24 2oik s HIS 49 Ca 0.49 0.00 0.02 0.00 0.25 0.00 0.00 55.06 55.82 2oik s HIS 49 Cb -0.10 -4.17 -0.00 0.00 -1.18 0.00 0.00 32.58 27.12 2oik s HIS 49 CO 0.42 -1.44 -0.06 0.08 -0.65 0.00 0.00 174.74 173.09 2oik s VAL 50 N 4.16 0.49 -0.10 0.89 1.01 -1.26 -3.94 120.40 121.66 2oik s VAL 50 Ca 0.32 -0.26 -0.27 0.00 0.00 0.00 0.00 61.98 61.77 2oik s VAL 50 Cb -0.12 -0.42 -0.26 0.00 0.00 0.00 0.00 36.38 35.58 2oik s VAL 50 CO 0.19 0.14 0.89 0.50 0.00 0.00 0.00 175.10 176.82 2oik h LYS 51 N 6.07 0.09 0.00 2.72 3.64 -1.94 0.15 116.57 127.29 2oik h LYS 51 Ca -0.29 -0.12 0.00 0.00 -1.27 0.00 0.00 60.65 58.97 2oik h LYS 51 Cb 1.19 0.04 0.00 0.00 -0.41 0.00 0.00 32.23 33.05 2oik h LYS 51 CO 0.50 0.98 0.00 0.39 -2.27 0.00 0.00 179.45 179.05 2oik n GLU 52 N -4.53 1.53 0.00 1.90 -0.58 -1.26 -4.24 120.64 113.45 2oik n GLU 52 Ca -0.10 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.64 2oik n GLU 52 Cb 0.52 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 31.39 2oik n GLU 52 CO 0.00 0.00 0.00 -1.13 -0.48 0.00 0.00 177.13 175.52 2oik n SER 54 N 0.00 0.00 0.15 1.62 3.41 -1.26 -3.94 113.62 113.60 2oik n SER 54 Ca 0.00 0.00 0.13 0.00 -0.26 0.00 0.00 58.87 58.74 2oik n SER 54 Cb 0.00 0.00 0.36 0.00 -0.26 0.00 0.00 64.21 64.31 2oik n SER 54 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 175.04 175.32 2oik h ASP 55 N 0.00 0.00 -3.48 4.04 3.32 -1.99 -3.47 116.42 114.84 2oik h ASP 55 Ca 0.00 0.00 -0.51 0.00 0.02 0.00 0.00 57.03 56.54 2oik h ASP 55 Cb 0.00 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.55 2oik h ASP 55 CO 0.00 0.00 -0.00 -0.76 -1.72 0.00 0.00 179.24 176.76 2oik s LEU 56 N -5.14 3.95 0.51 1.55 1.43 -1.25 -5.06 118.68 114.67 2oik s LEU 56 Ca 0.08 0.95 -0.21 0.00 -1.03 0.00 0.00 54.13 53.92 2oik s LEU 56 Cb 0.10 -3.80 -0.06 0.00 0.03 0.00 0.00 46.19 42.46 2oik s LEU 56 CO 0.59 -0.29 1.16 -0.13 0.23 0.00 0.00 176.35 177.91 2oik s ARG 57 N -3.63 3.50 0.36 1.70 0.52 -1.26 -4.80 118.95 115.33 2oik s ARG 57 Ca 0.48 1.71 0.17 0.00 -0.52 0.00 0.00 55.73 57.57 2oik s ARG 57 Cb -0.10 -2.18 1.12 0.00 0.52 0.00 0.00 34.95 34.31 2oik s ARG 57 CO 0.30 -0.75 1.68 -1.35 0.02 0.00 0.00 175.30 175.19 2oik h PRO 58 N 1.55 0.32 -0.16 3.54 0.11 -1.97 -0.10 132.00 135.28 2oik h PRO 58 Ca -0.50 -0.02 -0.10 0.00 0.11 0.00 0.00 66.00 65.49 2oik h PRO 58 Cb 1.26 -0.07 -0.01 0.00 0.11 0.00 0.00 31.00 32.29 2oik h PRO 58 CO 0.58 0.21 -0.34 0.00 -0.21 0.00 0.00 178.00 178.24 2oik h ALA 59 N 1.78 1.12 -0.16 -0.75 0.00 -1.99 -1.39 119.26 117.87 2oik h ALA 59 Ca 0.72 -0.37 -0.22 0.00 0.00 0.00 0.00 54.91 55.03 2oik h ALA 59 Cb 1.73 -0.10 0.01 0.00 0.00 0.00 0.00 17.79 19.43 2oik h ALA 59 CO -0.53 0.56 -0.77 0.93 0.00 0.00 0.00 179.25 179.44 2oik h GLU 60 N 0.29 0.80 -0.11 0.00 5.08 -1.42 -1.87 114.58 117.34 2oik h GLU 60 Ca 0.03 -0.65 0.04 0.00 -1.00 0.00 0.00 59.36 57.78 2oik h GLU 60 Cb 0.74 0.13 -0.04 0.00 0.50 0.00 0.00 28.75 30.08 2oik h GLU 60 CO 0.06 1.25 -0.15 0.00 -1.00 0.00 0.00 179.01 179.17 2oik h ARG 61 N 0.54 -0.19 -0.05 2.33 3.08 -1.10 -1.21 114.38 117.78 2oik h ARG 61 Ca -0.05 0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.01 2oik h ARG 61 Cb 1.40 0.04 -0.00 0.00 0.08 0.00 0.00 29.97 31.49 2oik h ARG 61 CO 0.16 -0.13 0.03 -0.44 -1.07 0.00 0.00 179.97 178.52 2oik h ASP 62 N -0.20 0.05 -0.38 7.04 3.32 -1.26 -2.88 116.42 122.11 2oik h ASP 62 Ca 0.09 -0.00 0.05 0.00 0.02 0.00 0.00 57.03 57.18 2oik h ASP 62 Cb 0.32 -0.01 -0.04 0.00 0.22 0.00 0.00 39.33 39.82 2oik h ASP 62 CO -0.23 0.04 0.13 -0.74 -1.72 0.00 0.00 179.24 176.72 2oik h HIS 63 N 0.06 0.23 0.00 4.55 -0.00 -1.25 -0.86 115.15 117.88 2oik h HIS 63 Ca 0.02 0.02 0.00 0.00 -0.00 0.00 0.00 60.37 60.41 2oik h HIS 63 Cb -0.01 -0.05 0.00 0.00 -0.00 0.00 0.00 27.41 27.36 2oik h HIS 63 CO -0.08 0.09 0.00 -0.11 -0.00 0.00 0.00 177.93 177.83 2oik n LEU 64 N -5.02 0.00 0.00 0.26 7.94 -0.46 -2.26 117.00 117.45 2oik n LEU 64 Ca 0.02 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.92 2oik n LEU 64 Cb 0.14 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.09 2oik n LEU 64 CO 0.27 0.00 0.00 0.18 -1.11 0.00 0.00 177.39 176.73 2oik n LEU 66 N 0.74 0.00 -0.10 -1.96 4.77 -0.33 -1.78 117.00 118.34 2oik n LEU 66 Ca 0.00 0.00 -0.13 0.00 -0.03 0.00 0.00 56.01 55.85 2oik n LEU 66 Cb 0.00 0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.05 2oik n LEU 66 CO 0.00 0.00 0.58 0.58 -1.33 0.00 0.00 177.39 177.22 2oik h VAL 67 N 0.00 1.30 -0.44 4.08 2.07 -1.73 -2.30 116.25 119.23 2oik h VAL 67 Ca 0.00 -1.44 0.01 0.00 0.82 0.00 0.00 66.70 66.09 2oik h VAL 67 Cb 0.00 1.54 -0.02 0.00 -1.52 0.00 0.00 31.29 31.29 2oik h VAL 67 CO 0.00 0.46 0.28 0.58 0.02 0.00 0.00 177.57 178.92 2oik h VAL 68 N 0.47 1.09 -0.00 2.57 2.07 -1.64 -0.84 116.25 119.96 2oik h VAL 68 Ca 0.05 -0.20 -0.11 0.00 0.82 0.00 0.00 66.70 67.26 2oik h VAL 68 Cb 0.84 0.46 -0.02 0.00 -1.52 0.00 0.00 31.29 31.06 2oik h VAL 68 CO 0.07 0.10 -0.52 -0.26 0.02 0.00 0.00 177.57 176.99 2oik h PHE 69 N 0.58 0.01 -0.25 1.57 0.04 -1.84 0.82 116.94 117.87 2oik h PHE 69 Ca 0.17 -0.00 -0.12 0.00 2.80 0.00 0.00 57.97 60.81 2oik h PHE 69 Cb -0.04 -0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.10 2oik h PHE 69 CO -0.05 0.52 -0.36 0.00 -0.60 0.00 0.00 178.31 177.82 2oik h ALA 70 N 1.47 0.91 -0.08 2.45 0.00 -1.06 -1.62 119.26 121.33 2oik h ALA 70 Ca -0.00 -0.42 -0.24 0.00 0.00 0.00 0.00 54.91 54.25 2oik h ALA 70 Cb 0.92 -0.11 0.02 0.00 0.00 0.00 0.00 17.79 18.61 2oik h ALA 70 CO 0.07 0.63 -0.88 0.28 0.00 0.00 0.00 179.25 179.34 2oik h VAL 71 N 0.46 1.28 -0.29 0.00 2.07 -0.67 -1.05 116.25 118.05 2oik h VAL 71 Ca 0.05 -2.09 0.07 0.00 0.82 0.00 0.00 66.70 65.54 2oik h VAL 71 Cb 0.84 2.19 -0.07 0.00 -1.52 0.00 0.00 31.29 32.73 2oik h VAL 71 CO 0.07 0.65 -0.16 -0.08 0.02 0.00 0.00 177.57 178.07 2oik h GLU 72 N 0.44 -0.13 -0.71 1.57 4.81 -0.71 -0.83 114.58 119.03 2oik h GLU 72 Ca -0.09 0.01 0.05 0.00 -0.13 0.00 0.00 59.36 59.20 2oik h GLU 72 Cb 1.53 0.03 -0.05 0.00 0.63 0.00 0.00 28.75 30.88 2oik h GLU 72 CO 0.18 -0.08 0.42 0.93 -0.73 0.00 0.00 179.01 179.73 2oik h GLU 73 N -0.13 0.77 -0.44 1.92 5.08 -1.19 -0.38 114.58 120.22 2oik h GLU 73 Ca 0.15 -0.05 -0.03 0.00 -1.00 0.00 0.00 59.36 58.44 2oik h GLU 73 Cb 0.36 -0.17 -0.02 0.00 0.50 0.00 0.00 28.75 29.42 2oik h GLU 73 CO -0.37 0.51 0.15 0.00 -1.00 0.00 0.00 179.01 178.30 2oik h ALA 74 N 1.33 0.58 -0.59 3.43 0.00 -0.93 -1.91 119.26 121.17 2oik h ALA 74 Ca 0.30 -0.17 -0.04 0.00 0.00 0.00 0.00 54.91 55.00 2oik h ALA 74 Cb 0.11 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 17.71 2oik h ALA 74 CO -0.15 0.21 0.21 0.28 0.00 0.00 0.00 179.25 179.80 2oik h VAL 75 N 0.57 1.23 -0.12 0.00 2.07 -0.87 -0.73 116.25 118.41 2oik h VAL 75 Ca 0.14 -0.77 0.03 0.00 0.82 0.00 0.00 66.70 66.93 2oik h VAL 75 Cb 0.24 0.63 -0.03 0.00 -1.52 0.00 0.00 31.29 30.61 2oik h VAL 75 CO -0.01 0.29 -0.08 0.03 0.02 0.00 0.00 177.57 177.83 2oik h ARG 76 N 0.82 -0.07 -0.26 1.57 3.08 -0.95 -3.13 114.38 115.44 2oik h ARG 76 Ca 0.19 0.01 -0.01 0.00 0.07 0.00 0.00 59.98 60.24 2oik h ARG 76 Cb 0.24 0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.30 2oik h ARG 76 CO -0.01 -0.05 0.14 1.49 -1.07 0.00 0.00 179.97 180.47 2oik h GLU 77 N -0.08 0.37 -0.12 0.04 4.81 -1.21 0.17 114.58 118.56 2oik h GLU 77 Ca 0.07 -0.05 0.00 0.00 -0.13 0.00 0.00 59.36 59.26 2oik h GLU 77 Cb 0.18 -0.07 0.00 0.00 0.63 0.00 0.00 28.75 29.49 2oik h GLU 77 CO -0.17 0.34 0.00 0.28 -0.73 0.00 0.00 179.01 178.73 2oik n VAL 78 N -4.83 0.03 0.00 0.32 0.31 -0.29 -5.04 118.33 108.82 2oik n VAL 78 Ca -0.02 -0.02 0.00 0.00 -0.01 0.00 0.00 64.34 64.28 2oik n VAL 78 Cb 0.08 -0.04 0.00 0.00 -0.91 0.00 0.00 33.84 32.97 2oik n VAL 78 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 2oik n ARG 80 N -0.40 0.00 -2.04 5.55 1.74 0.59 -5.09 116.66 117.01 2oik n ARG 80 Ca 0.01 0.00 -0.29 0.00 -0.77 0.00 0.00 57.85 56.80 2oik n ARG 80 Cb 0.04 0.00 0.04 0.00 -1.02 0.00 0.00 32.46 31.52 2oik n ARG 80 CO 0.00 0.00 0.00 -1.25 -1.52 0.00 0.00 177.63 174.86 2oik s PRO 81 N 0.00 2.89 0.20 5.56 0.04 -1.26 -4.98 135.00 137.44 2oik s PRO 81 Ca 0.00 0.32 0.01 0.00 0.04 0.00 0.00 61.00 61.37 2oik s PRO 81 Cb 0.00 -2.10 0.12 0.00 0.04 0.00 0.00 34.50 32.56 2oik s PRO 81 CO 0.00 -0.93 1.47 -0.44 0.04 0.00 0.00 177.00 177.15 2oik h ASP 82 N -0.50 0.37 -4.99 6.66 3.32 -1.11 -3.46 116.42 116.70 2oik h ASP 82 Ca -0.45 -0.24 -0.10 0.00 0.02 0.00 0.00 57.03 56.26 2oik h ASP 82 Cb 1.25 -0.11 -0.20 0.00 0.22 0.00 0.00 39.33 40.50 2oik h ASP 82 CO 0.63 0.96 -0.15 -0.75 -1.72 0.00 0.00 179.24 178.20 2oik s LYS 83 N -3.62 0.78 -0.16 3.56 2.47 -0.54 -5.00 119.74 117.23 2oik s LYS 83 Ca -0.05 -0.08 -0.09 0.00 -1.56 0.00 0.00 55.97 54.19 2oik s LYS 83 Cb 0.11 0.35 -0.05 0.00 -1.46 0.00 0.00 37.83 36.79 2oik s LYS 83 CO 0.82 -0.23 0.15 0.42 0.16 0.00 0.00 175.35 176.68 2oik s ILE 84 N -1.33 5.44 -0.11 5.43 -1.09 -1.26 0.28 121.20 128.56 2oik s ILE 84 Ca -0.13 0.23 0.01 0.00 -2.23 0.00 0.00 60.65 58.53 2oik s ILE 84 Cb -0.04 -3.46 -0.02 0.00 -1.58 0.00 0.00 42.46 37.37 2oik s ILE 84 CO 0.06 0.51 -0.13 0.20 -1.23 0.00 0.00 174.94 174.34 2oik s ASN 85 N -0.21 4.01 -0.05 3.58 0.02 -0.28 -4.96 114.94 117.05 2oik s ASN 85 Ca 0.12 -0.29 0.05 0.00 -1.02 0.00 0.00 52.86 51.71 2oik s ASN 85 Cb -0.12 -1.39 -0.02 0.00 0.02 0.00 0.00 41.25 39.74 2oik s ASN 85 CO 0.01 0.22 -0.17 -0.76 0.02 0.00 0.00 177.10 176.42 2oik s LEU 86 N 0.03 2.56 -0.21 0.60 1.43 -1.26 -0.03 118.68 121.80 2oik s LEU 86 Ca -0.05 -0.27 -0.26 0.00 -1.03 0.00 0.00 54.13 52.53 2oik s LEU 86 Cb -0.14 -1.50 0.07 0.00 0.03 0.00 0.00 46.19 44.64 2oik s LEU 86 CO 0.04 0.33 0.69 0.00 0.23 0.00 0.00 176.35 177.64 2oik s ALA 87 N -0.64 -1.73 -0.28 4.21 0.00 -0.92 -4.97 121.76 117.43 2oik s ALA 87 Ca 0.10 1.81 0.01 0.00 0.00 0.00 0.00 51.96 53.88 2oik s ALA 87 Cb -0.11 -0.88 0.08 0.00 0.00 0.00 0.00 23.12 22.21 2oik s ALA 87 CO 0.00 -0.34 0.02 0.45 0.00 0.00 0.00 175.76 175.89 2oik s SER 88 N 0.01 4.10 0.00 0.00 0.15 -1.26 -0.08 113.70 116.61 2oik s SER 88 Ca -0.03 -1.54 0.00 0.00 0.70 0.00 0.00 55.95 55.09 2oik s SER 88 Cb -0.04 -1.18 0.00 0.00 -1.71 0.00 0.00 66.02 63.09 2oik s SER 88 CO 0.03 -0.32 0.00 0.18 1.20 0.00 0.00 173.24 174.33 2oik n LEU 89 N 4.63 0.00 -0.01 3.45 4.77 -1.26 -5.04 117.00 123.55 2oik n LEU 89 Ca -0.05 0.00 -0.00 0.00 -0.03 0.00 0.00 56.01 55.93 2oik n LEU 89 Cb 0.43 -0.14 -0.00 0.00 -2.33 0.00 0.00 43.42 41.38 2oik n LEU 89 CO 0.17 -0.21 -0.00 0.61 -1.33 0.00 0.00 177.39 176.63 2oik n GLY 90 N 2.62 0.46 0.16 -0.72 0.00 -1.26 -4.99 105.19 101.45 2oik n GLY 90 Ca 0.00 -0.40 0.00 0.00 0.00 0.00 0.00 46.02 45.62 2oik n GLY 90 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2oik n ASN 91 N 0.72 0.12 -3.66 1.61 3.02 -1.26 -2.36 115.26 113.44 2oik n ASN 91 Ca -0.00 -0.74 -0.22 0.00 -0.03 0.00 0.00 54.58 53.59 2oik n ASN 91 Cb 0.01 -0.06 -0.17 0.00 -0.61 0.00 0.00 39.78 38.95 2oik n ASN 91 CO 0.00 0.00 0.00 0.41 -2.62 0.00 0.00 177.26 175.05 2oik n THR 93 N -0.24 0.00 -1.10 3.41 -1.04 -1.26 -5.13 114.28 108.92 2oik n THR 93 Ca 0.00 -0.30 -0.33 0.00 -2.04 0.00 0.00 64.05 61.39 2oik n THR 93 Cb 0.03 -0.11 -0.02 0.00 -1.82 0.00 0.00 70.33 68.41 2oik n THR 93 CO 0.00 0.00 0.00 -0.81 -0.64 0.00 0.00 175.07 173.62 2oik n PRO 94 N 5.13 2.77 -3.66 -2.82 -0.04 -1.00 -4.74 135.00 130.63 2oik n PRO 94 Ca 0.55 -1.90 -0.23 0.00 -0.04 0.00 0.00 63.50 61.89 2oik n PRO 94 Cb 0.09 -2.71 -0.18 0.00 -0.04 0.00 0.00 33.50 30.67 2oik n PRO 94 CO 0.00 0.00 0.00 -1.58 -0.04 0.00 0.00 175.50 173.88 2oik s HIS 95 N 3.02 0.21 -0.17 0.54 5.04 -1.26 -4.02 115.29 118.66 2oik s HIS 95 Ca 0.54 -0.03 -0.39 0.00 -1.54 0.00 0.00 55.06 53.64 2oik s HIS 95 Cb 0.14 -0.61 -0.16 0.00 0.04 0.00 0.00 32.58 31.99 2oik s HIS 95 CO -0.04 -0.33 1.60 0.28 -2.34 0.00 0.00 174.74 173.91 2oik n VAL 96 N 5.27 0.20 -3.63 0.89 0.31 0.52 -4.91 118.33 116.96 2oik n VAL 96 Ca -0.05 -0.04 -0.14 0.00 -0.01 0.00 0.00 64.34 64.10 2oik n VAL 96 Cb 0.50 -1.05 -0.07 0.00 -0.91 0.00 0.00 33.84 32.30 2oik n VAL 96 CO 0.00 0.00 0.00 -1.38 -1.32 0.00 0.00 176.83 174.13 2oik s HIS 97 N 2.51 -0.75 -0.17 3.52 -3.43 -1.26 -1.81 115.29 113.90 2oik s HIS 97 Ca 0.94 1.82 -0.03 0.00 -0.80 0.00 0.00 55.06 56.99 2oik s HIS 97 Cb -1.05 0.27 -0.02 0.00 -1.43 0.00 0.00 32.58 30.35 2oik s HIS 97 CO 0.60 -0.38 -0.06 -1.58 -2.00 0.00 0.00 174.74 171.33 2oik s TRP 98 N 0.29 2.95 -0.01 0.38 0.52 0.33 -4.38 118.94 119.02 2oik s TRP 98 Ca -0.01 -0.60 -0.24 0.00 0.02 0.00 0.00 56.10 55.28 2oik s TRP 98 Cb -0.05 -1.99 -0.05 0.00 -1.15 0.00 0.00 33.47 30.24 2oik s TRP 98 CO 0.01 -0.26 0.72 -1.01 0.02 0.00 0.00 176.95 176.44 2oik s HIS 99 N 0.76 3.66 -0.30 -1.98 3.76 0.88 -1.02 115.29 121.05 2oik s HIS 99 Ca -0.02 1.35 0.03 0.00 -0.15 0.00 0.00 55.06 56.26 2oik s HIS 99 Cb -0.15 -2.79 0.08 0.00 1.11 0.00 0.00 32.58 30.84 2oik s HIS 99 CO 0.02 0.20 0.00 0.08 -0.85 0.00 0.00 174.74 174.19 2oik s VAL 100 N 0.29 1.98 -0.17 -0.90 1.01 0.33 -2.16 120.40 120.79 2oik s VAL 100 Ca 0.37 -1.90 0.01 0.00 0.00 0.00 0.00 61.98 60.46 2oik s VAL 100 Cb -0.19 -2.34 0.01 0.00 0.00 0.00 0.00 36.38 33.86 2oik s VAL 100 CO 0.20 -0.40 -0.18 -0.63 0.00 0.00 0.00 175.10 174.09 2oik s ILE 101 N 1.10 2.32 -0.11 2.22 1.01 0.96 -2.13 121.20 126.59 2oik s ILE 101 Ca 0.04 -0.87 -0.30 0.00 0.00 0.00 0.00 60.65 59.52 2oik s ILE 101 Cb -0.19 -1.97 -0.02 0.00 0.01 0.00 0.00 42.46 40.29 2oik s ILE 101 CO -0.09 0.53 1.15 -2.16 0.00 0.00 0.00 174.94 174.36 2oik s PRO 102 N 1.05 4.34 0.08 2.79 0.04 -1.26 -1.12 135.00 140.92 2oik s PRO 102 Ca -0.01 1.57 0.06 0.00 0.04 0.00 0.00 61.00 62.66 2oik s PRO 102 Cb -0.14 -3.60 -0.04 0.00 0.04 0.00 0.00 34.50 30.76 2oik s PRO 102 CO -0.06 -0.48 -0.07 1.03 0.04 0.00 0.00 177.00 177.46 2oik s ARG 103 N 2.48 2.29 0.04 4.56 1.81 0.14 -4.94 118.95 125.34 2oik s ARG 103 Ca 0.52 -0.94 0.05 0.00 -1.72 0.00 0.00 55.73 53.64 2oik s ARG 103 Cb -0.22 -2.39 -0.02 0.00 -0.45 0.00 0.00 34.95 31.88 2oik s ARG 103 CO 0.18 0.53 -0.13 -0.06 -0.68 0.00 0.00 175.30 175.14 2oik s PHE 104 N -1.20 1.15 0.53 -0.53 0.40 -1.26 -0.40 117.98 116.67 2oik s PHE 104 Ca 0.22 -0.38 0.25 0.00 -0.60 0.00 0.00 56.93 56.42 2oik s PHE 104 Cb -0.11 -0.68 1.40 0.00 0.51 0.00 0.00 43.02 44.14 2oik s PHE 104 CO 0.14 0.03 2.00 0.87 0.70 0.00 0.00 175.22 178.95 2oik h LYS 105 N 4.80 0.00 -0.38 0.44 1.57 -1.96 0.20 116.57 121.24 2oik h LYS 105 Ca -0.38 0.00 -0.21 0.00 -1.87 0.00 0.00 60.65 58.19 2oik h LYS 105 Cb 1.18 0.00 -0.13 0.00 0.08 0.00 0.00 32.23 33.37 2oik h LYS 105 CO 0.43 0.00 -0.11 0.54 -0.57 0.00 0.00 179.45 179.74 2oik n ARG 106 N -4.37 1.92 -1.40 3.15 1.74 -1.26 -4.72 116.66 111.72 2oik n ARG 106 Ca 0.10 -3.25 -0.29 0.00 -0.77 0.00 0.00 57.85 53.63 2oik n ARG 106 Cb 0.60 -1.85 0.17 0.00 -1.02 0.00 0.00 32.46 30.36 2oik n ARG 106 CO 0.00 0.00 0.00 0.16 -1.52 0.00 0.00 177.63 176.27 2oik s ASP 107 N -2.60 2.85 0.33 0.55 1.47 0.69 -4.87 116.67 115.09 2oik s ASP 107 Ca 0.45 0.92 0.12 0.00 1.18 0.00 0.00 52.55 55.23 2oik s ASP 107 Cb 0.41 -1.44 1.01 0.00 -0.34 0.00 0.00 42.92 42.56 2oik s ASP 107 CO -0.01 -2.96 1.68 -0.09 0.68 0.00 0.00 175.17 174.48 2oik h ARG 108 N -1.78 0.38 0.00 2.11 2.43 -1.84 -3.25 114.38 112.42 2oik h ARG 108 Ca -0.51 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 58.64 2oik h ARG 108 Cb 1.32 -0.09 0.00 0.00 -0.42 0.00 0.00 29.97 30.79 2oik h ARG 108 CO 0.55 0.25 -0.63 0.72 -1.51 0.00 0.00 179.97 179.35 2oik n HIS 109 N -5.01 0.00 -1.74 2.20 8.25 -1.26 0.10 115.22 117.75 2oik n HIS 109 Ca 0.30 0.00 -0.42 0.00 -0.26 0.00 0.00 57.72 57.34 2oik n HIS 109 Cb 0.90 -0.05 -0.01 0.00 1.12 0.00 0.00 29.99 31.95 2oik n HIS 109 CO 0.00 0.00 0.00 0.34 0.64 0.00 0.00 176.34 177.32 2oik n PHE 110 N -1.34 2.82 0.61 4.41 -0.00 -1.23 0.12 117.46 122.85 2oik n PHE 110 Ca 0.00 0.30 0.04 0.00 -0.00 0.00 0.00 57.45 57.79 2oik n PHE 110 Cb 0.12 -2.58 0.15 0.00 -0.00 0.00 0.00 39.48 37.17 2oik n PHE 110 CO 0.00 0.00 0.00 -0.35 -0.00 0.00 0.00 176.76 176.41 2oik n PRO 111 N 1.86 2.16 -1.19 -7.13 -0.04 -1.26 -4.90 135.00 124.51 2oik n PRO 111 Ca 0.08 -1.15 -0.30 0.00 -0.04 0.00 0.00 63.50 62.09 2oik n PRO 111 Cb 0.37 -1.55 0.14 0.00 -0.04 0.00 0.00 33.50 32.42 2oik n PRO 111 CO 0.00 0.00 0.00 -0.80 -0.04 0.00 0.00 175.50 174.66 2oik s ASN 112 N -0.60 3.34 0.83 3.54 0.01 0.33 -5.02 114.94 117.35 2oik s ASN 112 Ca 0.20 1.46 -0.12 0.00 -0.71 0.00 0.00 52.86 53.70 2oik s ASN 112 Cb 0.14 -2.14 0.09 0.00 0.41 0.00 0.00 41.25 39.74 2oik s ASN 112 CO 0.09 -2.72 1.10 -0.94 -1.51 0.00 0.00 177.10 173.13 2oik s SER 113 N -3.40 4.23 0.04 -1.22 1.04 -1.26 -4.84 113.70 108.28 2oik s SER 113 Ca 0.64 1.25 0.15 0.00 0.48 0.00 0.00 55.95 58.47 2oik s SER 113 Cb -0.18 -1.95 0.63 0.00 0.10 0.00 0.00 66.02 64.62 2oik s SER 113 CO 0.57 -2.13 1.47 1.33 0.98 0.00 0.00 173.24 175.46 2oik n VAL 114 N -3.53 1.04 1.31 5.02 0.24 -1.26 -1.59 118.33 119.57 2oik n VAL 114 Ca 0.07 0.27 0.13 0.00 -2.04 0.00 0.00 64.34 62.77 2oik n VAL 114 Cb 0.57 -1.06 0.37 0.00 -1.47 0.00 0.00 33.84 32.25 2oik n VAL 114 CO 0.00 0.00 0.00 0.79 -2.14 0.00 0.00 176.83 175.48 2oik n TRP 115 N -1.61 0.00 -1.53 6.34 8.01 -1.26 -4.95 117.44 122.44 2oik n TRP 115 Ca 0.03 0.00 0.00 0.00 -1.31 0.00 0.00 57.50 56.22 2oik n TRP 115 Cb 0.17 -0.04 0.00 0.00 -2.01 0.00 0.00 31.31 29.43 2oik n TRP 115 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 2oik n GLY 116 N 1.27 1.39 3.75 6.99 0.00 -0.62 -5.04 105.19 112.92 2oik n GLY 116 Ca 0.15 -1.95 -0.41 0.00 0.00 0.00 0.00 46.02 43.82 2oik n GLY 116 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2oik s GLU 117 N 2.44 4.51 0.29 1.61 2.02 -1.26 -4.96 118.70 123.35 2oik s GLU 117 Ca 0.00 1.90 -0.29 0.00 0.02 0.00 0.00 54.97 56.60 2oik s GLU 117 Cb 0.00 -3.21 -0.10 0.00 0.10 0.00 0.00 34.13 30.92 2oik s GLU 117 CO 0.00 -0.02 1.42 0.99 0.02 0.00 0.00 175.26 177.67 2oik s THR 118 N -0.48 2.56 -0.10 3.63 2.01 -1.26 -4.69 115.64 117.31 2oik s THR 118 Ca 0.50 0.50 0.09 0.00 0.31 0.00 0.00 61.69 63.09 2oik s THR 118 Cb -0.33 -3.32 -0.12 0.00 0.01 0.00 0.00 72.50 68.73 2oik s THR 118 CO 0.40 0.10 0.03 0.29 -0.69 0.00 0.00 174.62 174.74 2oik n LYS 119 N 1.70 2.24 -3.66 4.92 4.76 0.11 -4.98 118.16 123.25 2oik n LYS 119 Ca 0.04 -0.00 -0.10 0.00 -2.87 0.00 0.00 58.31 55.38 2oik n LYS 119 Cb 0.40 -1.26 -0.03 0.00 -1.84 0.00 0.00 35.03 32.30 2oik n LYS 119 CO 0.00 0.00 0.00 -0.98 -1.37 0.00 0.00 177.40 175.05 2oik s ARG 120 N -2.25 1.37 0.48 1.97 1.70 -0.93 -5.03 118.95 116.26 2oik s ARG 120 Ca -0.06 -0.76 -0.22 0.00 -0.47 0.00 0.00 55.73 54.22 2oik s ARG 120 Cb 0.03 0.54 -0.07 0.00 -0.57 0.00 0.00 34.95 34.88 2oik s ARG 120 CO 0.41 -0.59 1.14 -1.21 -1.08 0.00 0.00 175.30 173.97 2oik s GLU 121 N -3.84 3.68 0.04 3.89 8.01 -1.26 -4.57 118.70 124.65 2oik s GLU 121 Ca 0.07 1.69 -0.11 0.00 0.01 0.00 0.00 54.97 56.62 2oik s GLU 121 Cb -0.01 -2.29 0.01 0.00 -4.31 0.00 0.00 34.13 27.53 2oik s GLU 121 CO -0.05 -0.59 0.24 0.45 0.01 0.00 0.00 175.26 175.32 2oik s SER 122 N -1.52 -0.03 -0.45 -0.19 0.15 -1.26 -4.84 113.70 105.56 2oik s SER 122 Ca 0.66 -0.29 0.06 0.00 0.70 0.00 0.00 55.95 57.08 2oik s SER 122 Cb -0.26 0.32 0.22 0.00 -1.71 0.00 0.00 66.02 64.58 2oik s SER 122 CO 0.31 -0.58 0.62 0.00 1.20 0.00 0.00 173.24 174.80 2oik n LEU 123 N 0.66 -1.53 -4.75 3.45 -0.00 -1.26 -5.03 117.00 108.54 2oik n LEU 123 Ca -0.19 -3.90 -0.40 0.00 -0.00 0.00 0.00 56.01 51.53 2oik n LEU 123 Cb 0.59 0.70 -0.06 0.00 -0.00 0.00 0.00 43.42 44.65 2oik n LEU 123 CO 0.22 1.98 0.64 -2.16 -0.00 0.00 0.00 177.39 178.06 2oik s PRO 124 N 0.00 4.82 -0.05 1.47 0.04 -1.26 -5.00 135.00 135.02 2oik s PRO 124 Ca 0.33 1.45 -0.30 0.00 0.04 0.00 0.00 61.00 62.52 2oik s PRO 124 Cb 0.13 -3.25 -0.04 0.00 0.04 0.00 0.00 34.50 31.37 2oik s PRO 124 CO -0.16 0.51 1.35 1.14 0.04 0.00 0.00 177.00 179.88 2oik s GLN 125 N -1.23 4.28 0.60 4.56 0.00 -1.26 -4.92 119.66 121.69 2oik s GLN 125 Ca 0.41 1.86 -0.18 0.00 -0.00 0.00 0.00 55.36 57.45 2oik s GLN 125 Cb -0.25 -3.64 -0.06 0.00 0.00 0.00 0.00 33.01 29.06 2oik s GLN 125 CO 0.31 -0.59 0.77 0.00 0.00 0.00 0.00 175.29 175.78 2oik n ALA 126 N 5.69 -0.42 -1.77 2.60 0.00 -1.26 -4.82 120.51 120.53 2oik n ALA 126 Ca 0.13 -0.02 -0.40 0.00 0.00 0.00 0.00 53.44 53.15 2oik n ALA 126 Cb 0.44 -1.99 0.01 0.00 0.00 0.00 0.00 19.45 17.92 2oik n ALA 126 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2oik s LEU 127 N -0.89 4.18 0.43 0.00 1.43 -1.26 -5.02 118.68 117.55 2oik s LEU 127 Ca 0.73 2.97 0.03 0.00 -1.03 0.00 0.00 54.13 56.83 2oik s LEU 127 Cb -0.42 -3.84 0.00 0.00 0.03 0.00 0.00 46.19 41.96 2oik s LEU 127 CO 0.50 -1.08 0.62 1.51 0.23 0.00 0.00 176.35 178.13 2oik s ASP 128 N -0.38 5.75 0.37 2.29 -4.77 -1.26 -4.95 116.67 113.72 2oik s ASP 128 Ca 0.58 0.03 0.12 0.00 -3.30 0.00 0.00 52.55 49.98 2oik s ASP 128 Cb -0.45 -1.23 0.92 0.00 -1.09 0.00 0.00 42.92 41.07 2oik s ASP 128 CO 0.59 -0.72 1.84 0.06 0.70 0.00 0.00 175.17 177.64 2oik h GLN 129 N 0.50 0.56 -0.49 2.11 -0.00 -1.99 -1.27 115.11 114.53 2oik h GLN 129 Ca -0.45 -0.03 0.05 0.00 -0.00 0.00 0.00 58.65 58.22 2oik h GLN 129 Cb 1.26 -0.13 -0.05 0.00 -0.00 0.00 0.00 27.48 28.57 2oik h GLN 129 CO 0.54 0.37 0.23 0.78 -0.00 0.00 0.00 178.83 180.75 2oik h GLY 130 N 0.58 0.68 1.05 0.06 0.00 -1.99 0.91 103.07 104.36 2oik h GLY 130 Ca 0.49 -0.16 -0.18 0.00 0.00 0.00 0.00 47.33 47.48 2oik h GLY 130 CO -0.23 0.09 -0.59 1.76 0.00 0.00 0.00 176.54 177.57 2oik h SER 131 N 0.46 0.83 -0.63 0.19 0.02 -1.64 -1.13 113.55 111.65 2oik h SER 131 Ca 0.22 -0.60 0.01 0.00 -0.84 0.00 0.00 61.79 60.58 2oik h SER 131 Cb 0.15 -0.24 -0.03 0.00 0.14 0.00 0.00 62.40 62.41 2oik h SER 131 CO -0.17 1.28 0.42 0.74 -1.14 0.00 0.00 176.83 177.96 2oik h THR 132 N 0.43 1.15 -0.20 -2.27 2.02 -1.16 0.49 112.91 113.37 2oik h THR 132 Ca -0.02 -0.29 -0.00 0.00 0.77 0.00 0.00 66.41 66.87 2oik h THR 132 Cb 1.21 0.23 -0.01 0.00 -1.74 0.00 0.00 68.15 67.85 2oik h THR 132 CO 0.13 0.15 0.11 0.74 0.37 0.00 0.00 175.52 177.02 2oik h THR 133 N 0.84 1.09 -0.96 3.16 2.02 -0.73 -1.07 112.91 117.27 2oik h THR 133 Ca 0.24 -0.24 0.04 0.00 0.77 0.00 0.00 66.41 67.21 2oik h THR 133 Cb -0.08 0.90 -0.06 0.00 -1.74 0.00 0.00 68.15 67.17 2oik h THR 133 CO -0.06 0.09 0.62 0.00 0.37 0.00 0.00 175.52 176.54 2oik h ALA 134 N 1.01 1.28 -0.31 6.16 0.00 -0.77 0.00 119.26 126.64 2oik h ALA 134 Ca 0.07 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.94 2oik h ALA 134 Cb 0.05 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.50 2oik h ALA 134 CO -0.01 0.48 0.17 -0.07 0.00 0.00 0.00 179.25 179.81 2oik h LEU 135 N 1.19 0.40 -0.65 0.00 3.38 -0.59 -0.93 115.31 118.10 2oik h LEU 135 Ca 0.39 -0.09 0.03 0.00 0.09 0.00 0.00 57.88 58.30 2oik h LEU 135 Cb 0.04 -0.10 -0.04 0.00 0.09 0.00 0.00 40.66 40.65 2oik h LEU 135 CO -0.13 0.38 0.40 0.11 0.09 0.00 0.00 178.44 179.28 2oik h LYS 136 N 0.38 0.76 -0.56 1.13 1.57 -0.34 -1.22 116.57 118.29 2oik h LYS 136 Ca 0.11 -0.05 -0.04 0.00 -1.87 0.00 0.00 60.65 58.81 2oik h LYS 136 Cb 0.07 -0.17 -0.02 0.00 0.08 0.00 0.00 32.23 32.19 2oik h LYS 136 CO -0.02 0.50 0.20 0.87 -0.57 0.00 0.00 179.45 180.44 2oik h LYS 137 N 0.78 0.85 -0.42 3.15 1.57 -0.81 -1.40 116.57 120.29 2oik h LYS 137 Ca 0.26 -0.17 -0.13 0.00 -1.87 0.00 0.00 60.65 58.75 2oik h LYS 137 Cb 0.03 -0.13 -0.01 0.00 0.08 0.00 0.00 32.23 32.20 2oik h LYS 137 CO -0.11 0.76 -0.25 0.00 -0.57 0.00 0.00 179.45 179.28 2oik h ALA 138 N 1.06 0.77 -0.17 3.86 0.00 -0.85 -0.01 119.26 123.92 2oik h ALA 138 Ca 0.18 -0.39 -0.03 0.00 0.00 0.00 0.00 54.91 54.67 2oik h ALA 138 Cb 0.24 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 2oik h ALA 138 CO -0.01 0.66 -0.01 0.82 0.00 0.00 0.00 179.25 180.71 2oik h ILE 139 N 0.75 1.26 -0.92 0.00 2.04 -1.15 -3.18 117.51 116.31 2oik h ILE 139 Ca 0.09 -0.88 0.02 0.00 1.00 0.00 0.00 64.86 65.10 2oik h ILE 139 Cb 0.79 1.51 -0.05 0.00 -0.74 0.00 0.00 36.82 38.34 2oik h ILE 139 CO 0.07 0.26 0.60 -1.28 0.00 0.00 0.00 178.15 177.80 2oik h SER 140 N 0.04 1.02 -0.99 1.72 0.87 -0.95 -1.84 113.55 113.42 2oik h SER 140 Ca 0.05 -0.02 0.12 0.00 -1.23 0.00 0.00 61.79 60.71 2oik h SER 140 Cb 0.40 -0.24 -0.09 0.00 -0.44 0.00 0.00 62.40 62.03 2oik h SER 140 CO 0.01 0.72 0.62 0.58 -0.53 0.00 0.00 176.83 178.22 2oik h VAL 141 N 1.19 0.90 0.00 2.23 2.07 -1.00 0.17 116.25 121.82 2oik h VAL 141 Ca 0.35 -0.33 -0.11 0.00 0.82 0.00 0.00 66.70 67.43 2oik h VAL 141 Cb -0.06 -0.15 -0.02 0.00 -1.52 0.00 0.00 31.29 29.54 2oik h VAL 141 CO -0.10 0.18 -1.06 0.03 0.02 0.00 0.00 177.57 176.64 2oik h ARG 142 N 0.97 0.00 0.00 1.57 3.08 -1.39 -3.39 114.38 115.21 2oik h ARG 142 Ca 0.50 0.00 -0.18 0.00 0.07 0.00 0.00 59.98 60.36 2oik h ARG 142 Cb 0.50 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.52 2oik h ARG 142 CO -0.27 0.25 -1.69 1.28 -1.07 0.00 0.00 179.97 178.46 2oik n LEU 143 N -2.92 0.85 -0.94 3.04 4.77 -0.75 -5.06 117.00 115.99 2oik n LEU 143 Ca -0.04 -0.02 0.12 0.00 -0.03 0.00 0.00 56.01 56.03 2oik n LEU 143 Cb 0.74 0.05 0.10 0.00 -2.33 0.00 0.00 43.42 41.97 2oik n LEU 143 CO 0.41 0.38 0.62 0.47 -1.33 0.00 0.00 177.39 177.94