#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 2.26 -0.42 0.00 5.36 -1.26 -2.07 117.98 121.85 2oik s PHE 7 Ca 0.00 -1.69 -0.18 0.00 -0.96 0.00 0.00 56.93 54.10 2oik s PHE 7 Cb 0.00 -1.56 0.02 0.00 -0.34 0.00 0.00 43.02 41.14 2oik s PHE 7 CO 0.00 -0.77 0.47 -1.01 -1.46 0.00 0.00 175.22 172.46 2oik s HIS 8 N 1.44 3.15 0.42 10.12 3.76 -1.26 -4.96 115.29 127.96 2oik s HIS 8 Ca -0.04 -0.30 0.39 0.00 -0.15 0.00 0.00 55.06 54.96 2oik s HIS 8 Cb -0.19 -2.97 2.07 0.00 1.11 0.00 0.00 32.58 32.60 2oik s HIS 8 CO -0.07 -0.72 2.18 1.57 -0.85 0.00 0.00 174.74 176.85 2oik h LYS 9 N 8.74 0.00 -0.70 1.40 -0.00 -1.99 -1.11 116.57 122.91 2oik h LYS 9 Ca -0.26 0.00 0.00 0.00 -0.00 0.00 0.00 60.65 60.39 2oik h LYS 9 Cb 1.11 0.00 0.00 0.00 -0.00 0.00 0.00 32.23 33.34 2oik h LYS 9 CO 0.81 0.00 0.00 0.27 -0.00 0.00 0.00 179.45 180.53 2oik n ASN 10 N -2.89 3.97 -4.59 7.07 2.04 -1.26 -4.89 115.26 114.71 2oik n ASN 10 Ca -0.02 -2.04 -0.38 0.00 -0.44 0.00 0.00 54.58 51.69 2oik n ASN 10 Cb 0.08 -0.48 -0.11 0.00 -2.53 0.00 0.00 39.78 36.74 2oik n ASN 10 CO 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 177.26 176.82 2oik h GLU 12 N 8.34 0.67 -0.00 0.00 4.81 -1.91 -0.51 114.58 125.98 2oik h GLU 12 Ca -0.35 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 58.84 2oik h GLU 12 Cb 1.19 -0.15 0.00 0.00 0.63 0.00 0.00 28.75 30.42 2oik h GLU 12 CO 0.55 0.44 -0.33 1.28 -0.73 0.00 0.00 179.01 180.22 2oik n LEU 13 N -4.70 0.61 0.03 1.64 4.77 -1.26 -1.40 117.00 116.69 2oik n LEU 13 Ca 0.22 -0.03 -0.05 0.00 -0.03 0.00 0.00 56.01 56.13 2oik n LEU 13 Cb 0.60 -0.23 -0.10 0.00 -2.33 0.00 0.00 43.42 41.37 2oik n LEU 13 CO 0.24 0.13 -0.19 0.00 -1.33 0.00 0.00 177.39 176.24 2oik n THR 15 N -3.10 0.01 -4.05 0.00 -2.24 -0.32 -4.99 114.28 99.59 2oik n THR 15 Ca -0.09 -0.51 -0.10 0.00 -2.27 0.00 0.00 64.05 61.09 2oik n THR 15 Cb 0.93 1.28 -0.11 0.00 -2.10 0.00 0.00 70.33 70.34 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 -1.18 0.33 0.28 4.28 -4.23 -0.49 -5.04 115.64 109.58 2oik s THR 16 Ca 0.17 -1.31 0.00 0.00 -1.18 0.00 0.00 61.69 59.37 2oik s THR 16 Cb 0.12 -0.84 0.10 0.00 1.34 0.00 0.00 72.50 73.22 2oik s THR 16 CO 0.18 -0.64 1.76 0.00 -0.54 0.00 0.00 174.62 175.38 2oik h ALA 17 N 4.03 1.14 0.00 3.99 0.00 -1.92 -3.43 119.26 123.06 2oik h ALA 17 Ca -0.34 -0.28 0.00 0.00 0.00 0.00 0.00 54.91 54.29 2oik h ALA 17 Cb 1.19 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.81 2oik h ALA 17 CO 0.50 0.55 0.00 0.41 0.00 0.00 0.00 179.25 180.71 2oik n GLY 18 N -0.59 0.61 0.00 0.00 0.00 -1.26 -4.93 105.19 99.02 2oik n GLY 18 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.03 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 -2.00 -0.85 3.69 -0.02 0.00 -1.26 -4.70 105.19 100.05 2oik n GLY 19 Ca 0.00 -1.55 -0.42 0.00 0.00 0.00 0.00 46.02 44.05 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 -1.79 4.33 0.03 1.61 2.12 -0.74 -4.78 118.70 119.48 2oik s GLU 20 Ca 0.00 1.85 -0.30 0.00 0.36 0.00 0.00 54.97 56.88 2oik s GLU 20 Cb 0.00 -3.50 -0.05 0.00 0.26 0.00 0.00 34.13 30.84 2oik s GLU 20 CO 0.00 -0.47 1.17 0.42 -0.54 0.00 0.00 175.26 175.84 2oik s ILE 21 N 1.99 4.19 -0.16 -3.70 1.01 -1.26 -0.48 121.20 122.79 2oik s ILE 21 Ca 0.61 1.57 0.16 0.00 0.00 0.00 0.00 60.65 62.98 2oik s ILE 21 Cb -0.29 -4.01 -0.22 0.00 0.01 0.00 0.00 42.46 37.95 2oik s ILE 21 CO 0.26 0.10 0.09 0.18 0.00 0.00 0.00 174.94 175.57 2oik n LEU 22 N 4.15 0.00 -3.59 2.97 4.77 0.22 -4.91 117.00 120.62 2oik n LEU 22 Ca 0.09 0.00 -0.11 0.00 -0.03 0.00 0.00 56.01 55.95 2oik n LEU 22 Cb 0.47 0.39 -0.06 0.00 -2.33 0.00 0.00 43.42 41.89 2oik n LEU 22 CO 0.55 0.39 0.70 0.86 -1.33 0.00 0.00 177.39 178.57 2oik s TRP 23 N -2.51 -0.46 0.11 -1.77 -0.00 -1.14 -4.76 118.94 108.42 2oik s TRP 23 Ca -0.09 0.89 -0.22 0.00 -0.00 0.00 0.00 56.10 56.69 2oik s TRP 23 Cb 0.06 0.41 0.06 0.00 -0.00 0.00 0.00 33.47 34.00 2oik s TRP 23 CO 0.73 -0.35 0.55 1.14 -0.00 0.00 0.00 176.95 179.02 2oik s GLN 24 N -0.71 1.17 0.00 5.86 -2.07 -1.26 0.72 119.66 123.36 2oik s GLN 24 Ca -0.02 -0.41 0.00 0.00 -1.82 0.00 0.00 55.36 53.11 2oik s GLN 24 Cb -0.02 0.53 0.00 0.00 -1.09 0.00 0.00 33.01 32.44 2oik s GLN 24 CO 0.01 -0.47 0.00 -0.40 -1.32 0.00 0.00 175.29 173.10 2oik n ASP 25 N -0.08 0.40 -0.19 12.60 5.68 0.10 -5.00 116.55 130.05 2oik n ASP 25 Ca -0.17 -0.58 -0.04 0.00 -0.50 0.00 0.00 54.79 53.50 2oik n ASP 25 Cb 0.63 0.00 0.06 0.00 -1.14 0.00 0.00 41.12 40.67 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 1.00 0.74 0.07 2.12 0.00 -2.03 -3.14 119.26 118.01 2oik h ALA 26 Ca 0.00 0.00 -0.28 0.00 0.00 0.00 0.00 54.91 54.63 2oik h ALA 26 Cb 0.00 -0.13 0.02 0.00 0.00 0.00 0.00 17.79 17.68 2oik h ALA 26 CO 0.00 0.02 -1.15 1.25 0.00 0.00 0.00 179.25 179.37 2oik h LEU 27 N 0.63 0.87 -8.22 0.00 5.85 -1.97 -3.44 115.31 109.03 2oik h LEU 27 Ca 0.24 -0.75 -0.05 0.00 0.84 0.00 0.00 57.88 58.15 2oik h LEU 27 Cb 0.09 -0.27 -0.08 0.00 0.37 0.00 0.00 40.66 40.76 2oik h LEU 27 CO -0.13 1.56 -0.06 0.00 -0.34 0.00 0.00 178.44 179.47 2oik s ARG 29 N -3.87 0.66 -0.15 0.00 1.70 -0.63 -0.72 118.95 115.93 2oik s ARG 29 Ca 0.21 -0.60 -0.04 0.00 -0.47 0.00 0.00 55.73 54.83 2oik s ARG 29 Cb -0.02 -0.58 -0.03 0.00 -0.57 0.00 0.00 34.95 33.75 2oik s ARG 29 CO 0.10 0.14 -0.03 0.08 -1.08 0.00 0.00 175.30 174.51 2oik s VAL 30 N -0.83 4.00 0.12 4.99 1.01 0.22 -1.34 120.40 128.58 2oik s VAL 30 Ca -0.02 -0.32 0.08 0.00 0.00 0.00 0.00 61.98 61.72 2oik s VAL 30 Cb -0.07 -2.75 -0.04 0.00 0.00 0.00 0.00 36.38 33.52 2oik s VAL 30 CO 0.01 0.50 -0.20 0.68 0.00 0.00 0.00 175.10 176.08 2oik s VAL 31 N 0.28 1.74 -0.20 2.92 -7.23 -0.32 0.72 120.40 118.32 2oik s VAL 31 Ca -0.02 -1.68 -0.19 0.00 -1.81 0.00 0.00 61.98 58.28 2oik s VAL 31 Cb -0.14 -1.66 -0.03 0.00 0.56 0.00 0.00 36.38 35.12 2oik s VAL 31 CO 0.03 -0.16 0.55 -2.28 -0.31 0.00 0.00 175.10 172.93 2oik s HIS 32 N -1.50 3.38 -0.08 2.82 5.65 0.37 -1.01 115.29 124.92 2oik s HIS 32 Ca 0.10 0.82 -0.21 0.00 0.25 0.00 0.00 55.06 56.02 2oik s HIS 32 Cb -0.08 -2.71 -0.04 0.00 -1.18 0.00 0.00 32.58 28.57 2oik s HIS 32 CO 0.05 -0.12 0.58 0.08 -0.65 0.00 0.00 174.74 174.69 2oik s VAL 33 N 1.70 5.10 -0.54 0.89 1.01 -0.40 -1.80 120.40 126.36 2oik s VAL 33 Ca 0.25 1.19 -0.22 0.00 0.00 0.00 0.00 61.98 63.20 2oik s VAL 33 Cb -0.16 -3.92 0.05 0.00 0.00 0.00 0.00 36.38 32.35 2oik s VAL 33 CO 0.10 0.31 0.83 -1.61 0.00 0.00 0.00 175.10 174.72 2oik s GLU 34 N 0.60 3.25 -0.15 2.72 2.02 -1.26 -4.62 118.70 121.26 2oik s GLU 34 Ca 0.31 -0.52 -0.01 0.00 0.02 0.00 0.00 54.97 54.78 2oik s GLU 34 Cb -0.17 -4.08 0.04 0.00 0.10 0.00 0.00 34.13 30.03 2oik s GLU 34 CO 0.14 -1.40 -0.03 1.21 0.02 0.00 0.00 175.26 175.20 2oik s ASN 35 N 2.82 2.61 0.50 -0.19 3.84 -1.26 -5.03 114.94 118.22 2oik s ASN 35 Ca 0.24 -0.58 0.24 0.00 0.21 0.00 0.00 52.86 52.98 2oik s ASN 35 Cb -0.15 -0.77 1.30 0.00 -0.55 0.00 0.00 41.25 41.08 2oik s ASN 35 CO 0.16 -0.21 2.03 1.56 -2.79 0.00 0.00 177.10 177.85 2oik h GLN 36 N 8.18 0.00 0.00 0.43 1.08 -1.96 -1.69 115.11 121.15 2oik h GLN 36 Ca -0.22 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 56.98 2oik h GLN 36 Cb 1.12 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.55 2oik h GLN 36 CO 0.36 0.15 -0.22 -0.44 -0.95 0.00 0.00 178.83 177.74 2oik h ASP 37 N 0.00 0.00 -2.08 1.46 3.32 -1.92 -3.37 116.42 113.83 2oik h ASP 37 Ca -0.00 -0.01 -0.57 0.00 0.02 0.00 0.00 57.03 56.47 2oik h ASP 37 Cb 0.38 0.00 -0.39 0.00 0.22 0.00 0.00 39.33 39.54 2oik h ASP 37 CO 0.02 0.00 -1.02 -1.22 -1.72 0.00 0.00 179.24 175.30 2oik n TYR 38 N -2.89 0.16 -1.72 4.55 4.01 -0.64 -4.68 117.16 115.95 2oik n TYR 38 Ca 0.03 -3.62 -0.41 0.00 -0.16 0.00 0.00 57.90 53.74 2oik n TYR 38 Cb 0.52 -0.32 0.01 0.00 -0.31 0.00 0.00 39.34 39.24 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 1.49 2.09 -0.36 -0.72 -0.04 -1.21 -2.01 135.00 134.23 2oik n PRO 39 Ca 0.23 0.74 0.00 0.00 -0.04 0.00 0.00 63.50 64.43 2oik n PRO 39 Cb 0.51 -2.45 0.00 0.00 -0.04 0.00 0.00 33.50 31.51 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 0.73 1.72 3.60 0.55 0.00 -1.26 -4.77 105.19 105.75 2oik n GLY 40 Ca 0.06 0.00 -0.50 0.00 0.00 0.00 0.00 46.02 45.58 2oik n GLY 40 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 2oik n PHE 41 N -2.00 2.02 -4.39 1.61 -0.00 -0.85 -4.56 117.46 109.29 2oik n PHE 41 Ca 0.00 0.14 -0.24 0.00 -0.00 0.00 0.00 57.45 57.35 2oik n PHE 41 Cb 0.00 -2.60 -0.09 0.00 -0.00 0.00 0.00 39.48 36.79 2oik n PHE 41 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 2oik s ARG 43 N -3.55 0.81 -0.33 0.00 0.52 -0.18 -0.59 118.95 115.63 2oik s ARG 43 Ca 0.30 -0.43 -0.07 0.00 -0.52 0.00 0.00 55.73 55.02 2oik s ARG 43 Cb -0.06 -0.78 0.04 0.00 0.52 0.00 0.00 34.95 34.67 2oik s ARG 43 CO 0.17 0.21 0.10 0.08 0.02 0.00 0.00 175.30 175.88 2oik s VAL 44 N -0.37 3.81 -0.20 3.52 1.01 0.19 -1.17 120.40 127.20 2oik s VAL 44 Ca 0.03 -1.08 -0.04 0.00 0.00 0.00 0.00 61.98 60.89 2oik s VAL 44 Cb -0.05 -3.14 -0.02 0.00 0.00 0.00 0.00 36.38 33.18 2oik s VAL 44 CO -0.00 -0.15 -0.02 -0.63 0.00 0.00 0.00 175.10 174.30 2oik s ILE 45 N 1.42 3.73 0.35 2.22 1.01 -0.45 -0.70 121.20 128.78 2oik s ILE 45 Ca -0.01 -0.39 -0.28 0.00 0.00 0.00 0.00 60.65 59.97 2oik s ILE 45 Cb -0.19 -2.68 -0.11 0.00 0.01 0.00 0.00 42.46 39.49 2oik s ILE 45 CO 0.03 0.44 1.42 -0.22 0.00 0.00 0.00 174.94 176.60 2oik s LEU 46 N 1.05 4.36 0.28 2.97 2.96 -0.87 -1.61 118.68 127.83 2oik s LEU 46 Ca 0.01 2.90 0.14 0.00 -0.22 0.00 0.00 54.13 56.96 2oik s LEU 46 Cb -0.14 -3.66 0.29 0.00 0.50 0.00 0.00 46.19 43.17 2oik s LEU 46 CO 0.01 -0.74 1.55 0.78 -1.32 0.00 0.00 176.35 176.63 2oik h ASN 47 N 3.23 0.00 -1.86 3.68 2.35 -0.91 -3.44 115.58 118.63 2oik h ASN 47 Ca -0.50 0.00 -0.51 0.00 -0.55 0.00 0.00 56.30 54.74 2oik h ASN 47 Cb 1.23 0.00 -0.05 0.00 0.05 0.00 0.00 38.32 39.55 2oik h ASN 47 CO 0.65 0.57 -0.48 0.00 -1.65 0.00 0.00 177.43 176.52 2oik s ARG 48 N -3.25 2.59 -0.32 0.81 1.70 -1.26 -4.95 118.95 114.26 2oik s ARG 48 Ca 0.01 -1.39 -0.27 0.00 -0.47 0.00 0.00 55.73 53.60 2oik s ARG 48 Cb 0.10 -2.36 0.01 0.00 -0.57 0.00 0.00 34.95 32.13 2oik s ARG 48 CO 0.74 0.10 1.00 -1.58 -1.08 0.00 0.00 175.30 174.48 2oik s HIS 49 N -2.35 3.15 -0.09 5.89 5.65 -0.88 -4.78 115.29 121.88 2oik s HIS 49 Ca 0.40 1.06 -0.09 0.00 0.25 0.00 0.00 55.06 56.68 2oik s HIS 49 Cb -0.04 -3.59 0.02 0.00 -1.18 0.00 0.00 32.58 27.79 2oik s HIS 49 CO 0.25 -0.74 0.25 0.08 -0.65 0.00 0.00 174.74 173.94 2oik s VAL 50 N 3.49 0.00 -0.16 0.89 1.01 -1.26 -4.23 120.40 120.13 2oik s VAL 50 Ca 0.42 -0.00 -0.21 0.00 0.00 0.00 0.00 61.98 62.19 2oik s VAL 50 Cb -0.12 -0.36 -0.18 0.00 0.00 0.00 0.00 36.38 35.71 2oik s VAL 50 CO 0.15 -0.00 0.37 0.50 0.00 0.00 0.00 175.10 176.12 2oik h LYS 51 N 5.73 0.00 0.00 2.72 3.64 -1.95 0.11 116.57 126.82 2oik h LYS 51 Ca -0.26 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.12 2oik h LYS 51 Cb 1.19 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.01 2oik h LYS 51 CO 0.35 0.78 0.00 0.39 -2.27 0.00 0.00 179.45 178.70 2oik n GLU 52 N -4.56 1.45 0.00 1.90 -0.58 -1.26 -4.21 120.64 113.38 2oik n GLU 52 Ca -0.17 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.57 2oik n GLU 52 Cb 0.48 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 31.35 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 0.16 1.62 3.41 -1.26 -3.65 113.62 113.89 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 0.53 0.00 -0.26 0.00 0.00 64.21 64.48 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 -4.01 4.04 3.32 -2.00 -3.45 116.42 114.32 2oik h ASP 55 Ca 0.00 0.00 -0.47 0.00 0.02 0.00 0.00 57.03 56.58 2oik h ASP 55 Cb 0.00 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.54 2oik h ASP 55 CO 0.00 0.00 0.29 -0.76 -1.72 0.00 0.00 179.24 177.05 2oik s LEU 56 N -4.76 3.84 0.45 1.55 1.43 -1.24 -5.04 118.68 114.91 2oik s LEU 56 Ca 0.04 1.51 -0.25 0.00 -1.03 0.00 0.00 54.13 54.40 2oik s LEU 56 Cb 0.09 -4.39 -0.08 0.00 0.03 0.00 0.00 46.19 41.84 2oik s LEU 56 CO 0.41 -0.42 1.40 -0.13 0.23 0.00 0.00 176.35 177.84 2oik s ARG 57 N -3.54 3.67 0.43 1.70 0.52 -1.26 -4.76 118.95 115.70 2oik s ARG 57 Ca 0.58 2.35 0.17 0.00 -0.52 0.00 0.00 55.73 58.31 2oik s ARG 57 Cb -0.10 -2.62 1.08 0.00 0.52 0.00 0.00 34.95 33.83 2oik s ARG 57 CO 0.22 -0.81 1.89 -1.35 0.02 0.00 0.00 175.30 175.27 2oik h PRO 58 N 2.27 0.39 -0.68 3.54 0.11 -1.96 0.35 132.00 136.03 2oik h PRO 58 Ca -0.51 -0.02 -0.02 0.00 0.11 0.00 0.00 66.00 65.56 2oik h PRO 58 Cb 1.27 -0.09 -0.03 0.00 0.11 0.00 0.00 31.00 32.26 2oik h PRO 58 CO 0.61 0.26 0.33 0.00 -0.21 0.00 0.00 178.00 178.98 2oik h ALA 59 N 1.63 1.31 -0.18 -0.75 0.00 -2.00 -1.48 119.26 117.78 2oik h ALA 59 Ca 0.42 -0.13 -0.20 0.00 0.00 0.00 0.00 54.91 55.00 2oik h ALA 59 Cb 1.03 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 18.55 2oik h ALA 59 CO -0.14 0.54 -0.69 0.93 0.00 0.00 0.00 179.25 179.89 2oik h GLU 60 N 0.95 0.73 -0.72 0.00 5.08 -1.36 -2.38 114.58 116.88 2oik h GLU 60 Ca 0.24 -0.55 -0.00 0.00 -1.00 0.00 0.00 59.36 58.05 2oik h GLU 60 Cb 0.09 0.10 -0.04 0.00 0.50 0.00 0.00 28.75 29.40 2oik h GLU 60 CO -0.03 1.16 0.45 0.00 -1.00 0.00 0.00 179.01 179.60 2oik h ARG 61 N 0.52 0.97 -0.20 2.33 3.08 -0.95 -1.38 114.38 118.76 2oik h ARG 61 Ca -0.03 -0.08 -0.02 0.00 0.07 0.00 0.00 59.98 59.93 2oik h ARG 61 Cb 1.30 -0.21 -0.01 0.00 0.08 0.00 0.00 29.97 31.13 2oik h ARG 61 CO 0.14 0.68 0.05 -0.44 -1.07 0.00 0.00 179.97 179.33 2oik h ASP 62 N 0.99 0.30 -0.27 7.04 3.32 -1.24 -3.14 116.42 123.41 2oik h ASP 62 Ca 0.26 -0.22 -0.06 0.00 0.02 0.00 0.00 57.03 57.03 2oik h ASP 62 Cb -0.06 -0.08 -0.01 0.00 0.22 0.00 0.00 39.33 39.40 2oik h ASP 62 CO -0.05 0.44 -0.05 -0.74 -1.72 0.00 0.00 179.24 177.12 2oik h HIS 63 N 0.14 0.57 0.00 4.55 2.76 -1.37 -0.97 115.15 120.83 2oik h HIS 63 Ca 0.06 -0.12 0.00 0.00 -2.20 0.00 0.00 60.37 58.11 2oik h HIS 63 Cb 0.26 -0.14 0.00 0.00 1.55 0.00 0.00 27.41 29.08 2oik h HIS 63 CO 0.01 0.71 0.00 -0.11 -1.30 0.00 0.00 177.93 177.24 2oik n LEU 64 N -4.54 0.00 0.00 0.26 7.94 -0.53 -1.87 117.00 118.27 2oik n LEU 64 Ca -0.03 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.87 2oik n LEU 64 Cb 0.29 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.24 2oik n LEU 64 CO 0.39 0.00 0.00 0.18 -1.11 0.00 0.00 177.39 176.85 2oik n LEU 66 N 0.65 0.00 -0.12 -1.96 4.32 -0.37 -1.12 117.00 118.40 2oik n LEU 66 Ca 0.00 0.00 -0.13 0.00 -0.02 0.00 0.00 56.01 55.86 2oik n LEU 66 Cb 0.00 0.00 -0.03 0.00 -1.62 0.00 0.00 43.42 41.77 2oik n LEU 66 CO 0.00 0.00 0.58 0.58 -1.22 0.00 0.00 177.39 177.33 2oik h VAL 67 N 0.00 1.28 -0.49 4.08 2.07 -1.65 -1.53 116.25 120.01 2oik h VAL 67 Ca 0.00 -1.47 -0.00 0.00 0.82 0.00 0.00 66.70 66.05 2oik h VAL 67 Cb 0.00 1.41 -0.02 0.00 -1.52 0.00 0.00 31.29 31.15 2oik h VAL 67 CO 0.00 0.49 0.30 0.58 0.02 0.00 0.00 177.57 178.96 2oik h VAL 68 N 0.65 1.14 -0.09 2.57 2.07 -1.40 -0.61 116.25 120.59 2oik h VAL 68 Ca 0.07 -0.31 -0.13 0.00 0.82 0.00 0.00 66.70 67.14 2oik h VAL 68 Cb 0.88 0.47 -0.01 0.00 -1.52 0.00 0.00 31.29 31.11 2oik h VAL 68 CO 0.08 0.14 -0.54 -0.26 0.02 0.00 0.00 177.57 177.01 2oik h PHE 69 N 0.65 0.32 -0.33 1.57 0.04 -1.82 -0.32 116.94 117.05 2oik h PHE 69 Ca 0.18 -0.11 -0.01 0.00 2.80 0.00 0.00 57.97 60.83 2oik h PHE 69 Cb -0.03 -0.06 -0.02 0.00 2.20 0.00 0.00 35.95 38.05 2oik h PHE 69 CO -0.03 0.74 0.18 0.00 -0.60 0.00 0.00 178.31 178.60 2oik h ALA 70 N 1.24 0.42 -0.65 2.45 0.00 -0.91 -1.69 119.26 120.12 2oik h ALA 70 Ca 0.00 -0.07 -0.02 0.00 0.00 0.00 0.00 54.91 54.82 2oik h ALA 70 Cb 1.02 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 18.64 2oik h ALA 70 CO 0.08 -0.05 0.32 0.28 0.00 0.00 0.00 179.25 179.88 2oik h VAL 71 N 0.41 1.22 -0.34 0.00 2.07 -0.75 -0.66 116.25 118.20 2oik h VAL 71 Ca 0.12 -0.61 0.07 0.00 0.82 0.00 0.00 66.70 67.09 2oik h VAL 71 Cb 0.06 0.42 -0.07 0.00 -1.52 0.00 0.00 31.29 30.18 2oik h VAL 71 CO -0.02 0.25 -0.09 -0.08 0.02 0.00 0.00 177.57 177.65 2oik h GLU 72 N 0.90 -0.01 -0.65 1.57 4.81 -0.96 0.98 114.58 121.21 2oik h GLU 72 Ca 0.22 0.00 -0.07 0.00 -0.13 0.00 0.00 59.36 59.38 2oik h GLU 72 Cb 0.11 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 29.47 2oik h GLU 72 CO -0.03 -0.01 0.12 0.93 -0.73 0.00 0.00 179.01 179.29 2oik h GLU 73 N -0.01 1.06 -0.43 1.92 5.08 -0.80 -0.86 114.58 120.54 2oik h GLU 73 Ca 0.17 -0.27 -0.05 0.00 -1.00 0.00 0.00 59.36 58.20 2oik h GLU 73 Cb 0.26 -0.13 -0.02 0.00 0.50 0.00 0.00 28.75 29.37 2oik h GLU 73 CO -0.36 0.96 0.06 0.00 -1.00 0.00 0.00 179.01 178.67 2oik h ALA 74 N 1.12 0.57 -0.72 3.43 0.00 -0.66 -1.46 119.26 121.54 2oik h ALA 74 Ca 0.20 -0.23 -0.03 0.00 0.00 0.00 0.00 54.91 54.85 2oik h ALA 74 Cb 0.41 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 18.01 2oik h ALA 74 CO 0.01 0.30 0.32 0.28 0.00 0.00 0.00 179.25 180.16 2oik h VAL 75 N 0.57 1.24 -0.74 0.00 2.07 -0.58 -1.21 116.25 117.61 2oik h VAL 75 Ca 0.13 -0.71 -0.06 0.00 0.82 0.00 0.00 66.70 66.87 2oik h VAL 75 Cb 0.40 0.38 -0.03 0.00 -1.52 0.00 0.00 31.29 30.51 2oik h VAL 75 CO 0.01 0.29 0.22 0.03 0.02 0.00 0.00 177.57 178.14 2oik h ARG 76 N 1.02 1.17 -0.46 1.57 3.08 -0.98 -2.96 114.38 116.81 2oik h ARG 76 Ca 0.24 -0.26 -0.12 0.00 0.07 0.00 0.00 59.98 59.91 2oik h ARG 76 Cb 0.16 -0.16 -0.01 0.00 0.08 0.00 0.00 29.97 30.03 2oik h ARG 76 CO -0.03 1.00 -0.20 1.49 -1.07 0.00 0.00 179.97 181.16 2oik h GLU 77 N 1.11 0.95 -0.21 0.04 4.81 -0.91 -1.05 114.58 119.33 2oik h GLU 77 Ca 0.24 -0.40 0.00 0.00 -0.13 0.00 0.00 59.36 59.06 2oik h GLU 77 Cb 0.33 -0.03 0.00 0.00 0.63 0.00 0.00 28.75 29.67 2oik h GLU 77 CO -0.00 1.07 0.00 0.28 -0.73 0.00 0.00 179.01 179.63 2oik n VAL 78 N -4.16 0.28 0.00 0.32 0.31 -0.49 -5.07 118.33 109.53 2oik n VAL 78 Ca -0.00 -0.28 0.00 0.00 -0.01 0.00 0.00 64.34 64.04 2oik n VAL 78 Cb 0.44 0.14 0.00 0.00 -0.91 0.00 0.00 33.84 33.52 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 0.12 0.00 -1.70 5.55 1.74 -0.40 -5.09 116.66 116.88 2oik n ARG 80 Ca 0.08 0.00 -0.31 0.00 -0.77 0.00 0.00 57.85 56.85 2oik n ARG 80 Cb 0.18 0.00 0.03 0.00 -1.02 0.00 0.00 32.46 31.66 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 3.21 0.29 5.56 0.04 -1.26 -4.98 135.00 137.86 2oik s PRO 81 Ca 0.00 0.87 0.05 0.00 0.04 0.00 0.00 61.00 61.95 2oik s PRO 81 Cb 0.00 -2.03 0.46 0.00 0.04 0.00 0.00 34.50 32.97 2oik s PRO 81 CO 0.00 -0.88 1.73 -0.44 0.04 0.00 0.00 177.00 177.45 2oik h ASP 82 N -0.55 0.37 -4.73 6.66 3.32 -1.36 -3.47 116.42 116.67 2oik h ASP 82 Ca -0.44 -0.13 -0.10 0.00 0.02 0.00 0.00 57.03 56.37 2oik h ASP 82 Cb 1.20 -0.10 -0.21 0.00 0.22 0.00 0.00 39.33 40.44 2oik h ASP 82 CO 0.59 0.67 -0.16 -0.75 -1.72 0.00 0.00 179.24 177.87 2oik s LYS 83 N -4.37 0.71 -0.14 3.56 2.47 -0.98 -5.01 119.74 115.98 2oik s LYS 83 Ca -0.06 0.10 -0.08 0.00 -1.56 0.00 0.00 55.97 54.37 2oik s LYS 83 Cb 0.14 0.33 -0.04 0.00 -1.46 0.00 0.00 37.83 36.79 2oik s LYS 83 CO 0.78 -0.18 0.14 0.42 0.16 0.00 0.00 175.35 176.66 2oik s ILE 84 N -0.92 5.48 -0.11 5.43 -1.09 -1.26 -0.26 121.20 128.46 2oik s ILE 84 Ca -0.10 0.21 -0.00 0.00 -2.23 0.00 0.00 60.65 58.53 2oik s ILE 84 Cb -0.04 -3.42 -0.02 0.00 -1.58 0.00 0.00 42.46 37.40 2oik s ILE 84 CO 0.05 0.57 -0.10 0.20 -1.23 0.00 0.00 174.94 174.43 2oik s ASN 85 N -0.67 4.30 -0.08 3.58 0.02 -0.09 -4.96 114.94 117.05 2oik s ASN 85 Ca 0.13 -0.21 0.05 0.00 -1.02 0.00 0.00 52.86 51.81 2oik s ASN 85 Cb -0.12 -1.46 -0.01 0.00 0.02 0.00 0.00 41.25 39.68 2oik s ASN 85 CO 0.03 0.23 -0.23 -0.76 0.02 0.00 0.00 177.10 176.38 2oik s LEU 86 N -0.01 2.15 -0.23 0.60 1.43 -1.26 -0.62 118.68 120.74 2oik s LEU 86 Ca -0.02 -0.50 -0.26 0.00 -1.03 0.00 0.00 54.13 52.32 2oik s LEU 86 Cb -0.14 -1.41 0.07 0.00 0.03 0.00 0.00 46.19 44.74 2oik s LEU 86 CO 0.04 0.22 0.71 0.00 0.23 0.00 0.00 176.35 177.54 2oik s ALA 87 N 0.01 -1.77 -0.25 4.21 0.00 -0.66 -4.97 121.76 118.33 2oik s ALA 87 Ca -0.08 1.91 0.01 0.00 0.00 0.00 0.00 51.96 53.80 2oik s ALA 87 Cb -0.15 -0.99 0.06 0.00 0.00 0.00 0.00 23.12 22.04 2oik s ALA 87 CO 0.05 -0.34 -0.06 0.45 0.00 0.00 0.00 175.76 175.87 2oik s SER 88 N 0.14 4.02 0.00 0.00 0.15 -1.26 -0.49 113.70 116.27 2oik s SER 88 Ca -0.02 -1.28 -0.00 0.00 0.70 0.00 0.00 55.95 55.35 2oik s SER 88 Cb -0.04 -1.27 -0.00 0.00 -1.71 0.00 0.00 66.02 63.00 2oik s SER 88 CO 0.02 -0.24 -0.00 0.18 1.20 0.00 0.00 173.24 174.40 2oik n LEU 89 N 4.61 0.04 -0.78 3.45 4.77 -1.26 -5.03 117.00 122.80 2oik n LEU 89 Ca -0.11 0.01 -0.08 0.00 -0.03 0.00 0.00 56.01 55.79 2oik n LEU 89 Cb 0.43 -0.14 -0.02 0.00 -2.33 0.00 0.00 43.42 41.37 2oik n LEU 89 CO 0.19 -0.50 -0.09 0.61 -1.33 0.00 0.00 177.39 176.26 2oik n GLY 90 N 2.98 0.49 0.07 -0.72 0.00 -1.26 -4.99 105.19 101.77 2oik n GLY 90 Ca -0.00 -0.61 0.00 0.00 0.00 0.00 0.00 46.02 45.41 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 0.57 0.08 -4.50 1.61 3.02 -1.26 -2.70 115.26 112.08 2oik n ASN 91 Ca -0.09 -1.09 -0.27 0.00 -0.03 0.00 0.00 54.58 53.10 2oik n ASN 91 Cb 0.43 -0.04 -0.20 0.00 -0.61 0.00 0.00 39.78 39.36 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 -0.39 -0.00 -1.29 3.41 -1.04 -1.26 -5.13 114.28 108.58 2oik n THR 93 Ca 0.00 -0.37 -0.38 0.00 -2.04 0.00 0.00 64.05 61.26 2oik n THR 93 Cb 0.02 -0.28 -0.02 0.00 -1.82 0.00 0.00 70.33 68.22 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 6.53 2.57 -3.78 -2.82 -0.04 -1.10 -4.74 135.00 131.62 2oik n PRO 94 Ca 0.66 -2.09 -0.23 0.00 -0.04 0.00 0.00 63.50 61.80 2oik n PRO 94 Cb 0.13 -2.92 -0.18 0.00 -0.04 0.00 0.00 33.50 30.50 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 3.43 0.66 -0.06 0.54 5.04 -1.26 -4.07 115.29 119.57 2oik s HIS 95 Ca 0.53 -0.16 -0.37 0.00 -1.54 0.00 0.00 55.06 53.53 2oik s HIS 95 Cb 0.14 -0.79 -0.15 0.00 0.04 0.00 0.00 32.58 31.83 2oik s HIS 95 CO -0.02 -0.32 1.64 0.28 -2.34 0.00 0.00 174.74 173.97 2oik n VAL 96 N 5.13 0.23 -3.59 0.89 0.31 0.03 -4.90 118.33 116.43 2oik n VAL 96 Ca -0.07 -0.04 -0.16 0.00 -0.01 0.00 0.00 64.34 64.06 2oik n VAL 96 Cb 0.50 -1.32 -0.07 0.00 -0.91 0.00 0.00 33.84 32.04 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 2.37 -0.69 -0.18 3.52 -3.43 -1.26 -2.05 115.29 113.58 2oik s HIS 97 Ca 0.90 1.43 -0.02 0.00 -0.80 0.00 0.00 55.06 56.56 2oik s HIS 97 Cb -0.88 0.33 -0.01 0.00 -1.43 0.00 0.00 32.58 30.58 2oik s HIS 97 CO 0.52 -0.49 -0.08 -1.58 -2.00 0.00 0.00 174.74 171.11 2oik s TRP 98 N -0.47 2.90 -0.04 0.38 0.52 0.12 -4.28 118.94 118.07 2oik s TRP 98 Ca -0.06 -0.82 -0.30 0.00 0.02 0.00 0.00 56.10 54.94 2oik s TRP 98 Cb -0.02 -1.99 -0.03 0.00 -1.15 0.00 0.00 33.47 30.28 2oik s TRP 98 CO 0.06 -0.40 1.03 -1.01 0.02 0.00 0.00 176.95 176.65 2oik s HIS 99 N 0.96 3.54 -0.35 -1.98 3.76 0.36 -0.64 115.29 120.94 2oik s HIS 99 Ca -0.01 1.58 0.03 0.00 -0.15 0.00 0.00 55.06 56.51 2oik s HIS 99 Cb -0.15 -3.20 0.10 0.00 1.11 0.00 0.00 32.58 30.44 2oik s HIS 99 CO -0.00 -0.33 0.08 0.08 -0.85 0.00 0.00 174.74 173.71 2oik s VAL 100 N 1.49 2.45 -0.21 -0.90 1.01 0.25 -1.66 120.40 122.83 2oik s VAL 100 Ca 0.52 -2.31 -0.03 0.00 0.00 0.00 0.00 61.98 60.16 2oik s VAL 100 Cb -0.21 -2.78 -0.00 0.00 0.00 0.00 0.00 36.38 33.38 2oik s VAL 100 CO 0.24 -0.62 -0.08 -0.63 0.00 0.00 0.00 175.10 174.01 2oik s ILE 101 N 0.93 3.03 -0.17 2.22 1.01 0.21 -1.50 121.20 126.93 2oik s ILE 101 Ca 0.11 -0.61 -0.29 0.00 0.00 0.00 0.00 60.65 59.85 2oik s ILE 101 Cb -0.20 -2.36 -0.00 0.00 0.01 0.00 0.00 42.46 39.91 2oik s ILE 101 CO -0.07 0.45 1.08 -2.16 0.00 0.00 0.00 174.94 174.24 2oik s PRO 102 N 1.40 4.31 0.11 2.79 0.04 -1.26 -0.91 135.00 141.49 2oik s PRO 102 Ca 0.05 1.44 0.06 0.00 0.04 0.00 0.00 61.00 62.59 2oik s PRO 102 Cb -0.14 -3.62 -0.04 0.00 0.04 0.00 0.00 34.50 30.74 2oik s PRO 102 CO -0.06 -0.53 0.00 1.03 0.04 0.00 0.00 177.00 177.49 2oik s ARG 103 N 2.80 2.50 0.03 4.56 1.81 0.64 -4.89 118.95 126.39 2oik s ARG 103 Ca 0.48 -0.91 0.03 0.00 -1.72 0.00 0.00 55.73 53.60 2oik s ARG 103 Cb -0.18 -2.49 -0.02 0.00 -0.45 0.00 0.00 34.95 31.82 2oik s ARG 103 CO 0.12 0.51 -0.09 -0.06 -0.68 0.00 0.00 175.30 175.11 2oik s PHE 104 N -1.42 0.78 0.51 -0.53 0.40 -1.26 -0.81 117.98 115.65 2oik s PHE 104 Ca 0.26 -0.33 0.30 0.00 -0.60 0.00 0.00 56.93 56.56 2oik s PHE 104 Cb -0.11 -0.47 1.42 0.00 0.51 0.00 0.00 43.02 44.36 2oik s PHE 104 CO 0.18 -0.03 1.87 0.87 0.70 0.00 0.00 175.22 178.81 2oik h LYS 105 N 5.09 0.08 -0.51 0.44 1.57 -1.97 0.01 116.57 121.29 2oik h LYS 105 Ca -0.34 -0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.43 2oik h LYS 105 Cb 1.19 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 33.48 2oik h LYS 105 CO 0.45 0.05 0.00 0.54 -0.57 0.00 0.00 179.45 179.92 2oik n ARG 106 N -4.31 2.33 -1.42 3.15 1.74 -1.26 -4.75 116.66 112.14 2oik n ARG 106 Ca 0.20 -2.05 -0.29 0.00 -0.77 0.00 0.00 57.85 54.95 2oik n ARG 106 Cb 0.96 -1.46 0.15 0.00 -1.02 0.00 0.00 32.46 31.09 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 -1.15 3.17 0.36 0.55 1.47 -0.01 -4.74 116.67 116.31 2oik s ASP 107 Ca 0.39 1.01 0.07 0.00 1.18 0.00 0.00 52.55 55.20 2oik s ASP 107 Cb 0.21 -1.61 0.76 0.00 -0.34 0.00 0.00 42.92 41.94 2oik s ASP 107 CO 0.28 -2.77 1.92 -0.09 0.68 0.00 0.00 175.17 175.18 2oik h ARG 108 N -1.65 0.72 0.00 2.11 2.43 -1.83 -3.30 114.38 112.86 2oik h ARG 108 Ca -0.52 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 58.61 2oik h ARG 108 Cb 1.33 -0.16 0.00 0.00 -0.42 0.00 0.00 29.97 30.72 2oik h ARG 108 CO 0.60 0.48 -0.91 0.72 -1.51 0.00 0.00 179.97 179.35 2oik n HIS 109 N -4.51 0.00 -1.75 2.20 8.25 -1.26 -0.45 115.22 117.69 2oik n HIS 109 Ca 0.14 0.00 -0.42 0.00 -0.26 0.00 0.00 57.72 57.18 2oik n HIS 109 Cb 0.33 -0.10 -0.01 0.00 1.12 0.00 0.00 29.99 31.33 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 -1.51 2.88 0.38 4.41 7.35 -1.24 -0.45 117.46 129.28 2oik n PHE 110 Ca 0.00 0.34 0.04 0.00 -0.76 0.00 0.00 57.45 57.07 2oik n PHE 110 Cb 0.21 -2.57 0.17 0.00 0.35 0.00 0.00 39.48 37.65 2oik n PHE 110 CO 0.00 0.00 0.00 -0.35 -0.76 0.00 0.00 176.76 175.65 2oik n PRO 111 N 1.46 2.47 -1.23 -7.13 -0.04 -1.26 -4.85 135.00 124.41 2oik n PRO 111 Ca 0.06 -1.36 -0.30 0.00 -0.04 0.00 0.00 63.50 61.85 2oik n PRO 111 Cb 0.37 -1.67 0.12 0.00 -0.04 0.00 0.00 33.50 32.28 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 -0.55 3.95 0.83 3.54 0.01 0.40 -5.04 114.94 118.09 2oik s ASN 112 Ca 0.24 1.63 -0.11 0.00 -0.71 0.00 0.00 52.86 53.91 2oik s ASN 112 Cb 0.17 -2.32 0.09 0.00 0.41 0.00 0.00 41.25 39.60 2oik s ASN 112 CO 0.10 -2.36 1.09 -0.94 -1.51 0.00 0.00 177.10 173.48 2oik s SER 113 N -3.42 4.04 0.00 -1.22 1.04 -1.26 -4.84 113.70 108.04 2oik s SER 113 Ca 0.62 1.56 0.10 0.00 0.48 0.00 0.00 55.95 58.71 2oik s SER 113 Cb -0.18 -2.26 0.43 0.00 0.10 0.00 0.00 66.02 64.12 2oik s SER 113 CO 0.56 -2.29 1.29 1.33 0.98 0.00 0.00 173.24 175.12 2oik n VAL 114 N -3.66 1.23 1.08 5.02 0.24 -1.26 -1.74 118.33 119.24 2oik n VAL 114 Ca 0.08 0.31 0.12 0.00 -2.04 0.00 0.00 64.34 62.80 2oik n VAL 114 Cb 0.55 -1.14 0.13 0.00 -1.47 0.00 0.00 33.84 31.90 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 -1.46 0.00 -1.49 6.34 8.01 -1.26 -4.96 117.44 122.62 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 0.11 -0.05 0.00 0.00 -2.01 0.00 0.00 31.31 29.35 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 1.41 1.23 3.78 6.99 0.00 -0.71 -5.07 105.19 112.82 2oik n GLY 116 Ca 0.09 -1.93 -0.37 0.00 0.00 0.00 0.00 46.02 43.81 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 2.24 4.32 0.25 1.61 2.02 -1.26 -4.97 118.70 122.91 2oik s GLU 117 Ca 0.00 1.46 -0.30 0.00 0.02 0.00 0.00 54.97 56.16 2oik s GLU 117 Cb 0.00 -2.65 -0.09 0.00 0.10 0.00 0.00 34.13 31.49 2oik s GLU 117 CO 0.00 0.01 1.27 0.99 0.02 0.00 0.00 175.26 177.55 2oik s THR 118 N -1.63 3.12 -0.03 3.63 2.01 -1.26 -4.67 115.64 116.81 2oik s THR 118 Ca 0.55 1.01 0.09 0.00 0.31 0.00 0.00 61.69 63.65 2oik s THR 118 Cb -0.21 -3.64 -0.14 0.00 0.01 0.00 0.00 72.50 68.51 2oik s THR 118 CO 0.27 0.19 0.18 0.29 -0.69 0.00 0.00 174.62 174.86 2oik n LYS 119 N 1.85 0.67 -3.70 4.92 4.76 0.40 -4.98 118.16 122.08 2oik n LYS 119 Ca 0.03 -0.07 -0.08 0.00 -2.87 0.00 0.00 58.31 55.32 2oik n LYS 119 Cb 0.43 -1.23 -0.02 0.00 -1.84 0.00 0.00 35.03 32.37 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 -2.60 1.48 0.26 1.97 1.70 -1.06 -5.05 118.95 115.65 2oik s ARG 120 Ca -0.04 -0.74 -0.30 0.00 -0.47 0.00 0.00 55.73 54.19 2oik s ARG 120 Cb 0.06 0.55 -0.09 0.00 -0.57 0.00 0.00 34.95 34.89 2oik s ARG 120 CO 0.40 -0.67 1.01 -1.21 -1.08 0.00 0.00 175.30 173.74 2oik s GLU 121 N -3.70 4.75 -0.28 3.89 2.02 -1.26 -4.59 118.70 119.53 2oik s GLU 121 Ca 0.08 1.61 -0.01 0.00 0.02 0.00 0.00 54.97 56.68 2oik s GLU 121 Cb -0.03 -3.22 0.17 0.00 0.10 0.00 0.00 34.13 31.15 2oik s GLU 121 CO -0.00 0.38 0.53 0.45 0.02 0.00 0.00 175.26 176.63 2oik s SER 122 N -1.07 -0.85 -0.81 -0.19 0.15 -1.26 -4.85 113.70 104.81 2oik s SER 122 Ca 0.43 0.55 0.02 0.00 0.70 0.00 0.00 55.95 57.65 2oik s SER 122 Cb -0.28 1.80 0.23 0.00 -1.71 0.00 0.00 66.02 66.06 2oik s SER 122 CO 0.35 -0.28 0.81 0.18 1.20 0.00 0.00 173.24 175.51 2oik n LEU 123 N 5.41 4.15 -4.82 3.45 4.77 -1.26 -4.81 117.00 123.89 2oik n LEU 123 Ca -0.01 -5.26 -0.31 0.00 -0.03 0.00 0.00 56.01 50.40 2oik n LEU 123 Cb 0.51 -0.92 0.06 0.00 -2.33 0.00 0.00 43.42 40.74 2oik n LEU 123 CO 0.03 1.78 0.71 -2.16 -1.33 0.00 0.00 177.39 176.42 2oik s PRO 124 N -1.95 2.73 -0.13 3.23 0.04 -1.26 -4.98 135.00 132.68 2oik s PRO 124 Ca 0.32 0.83 -0.29 0.00 0.04 0.00 0.00 61.00 61.89 2oik s PRO 124 Cb 0.02 -1.98 -0.02 0.00 0.04 0.00 0.00 34.50 32.56 2oik s PRO 124 CO -0.07 -1.21 1.31 1.14 0.04 0.00 0.00 177.00 178.21 2oik s GLN 125 N -5.10 4.24 0.55 4.56 0.00 -1.26 -4.94 119.66 117.72 2oik s GLN 125 Ca 0.59 1.75 -0.20 0.00 -0.00 0.00 0.00 55.36 57.50 2oik s GLN 125 Cb -0.14 -3.75 -0.06 0.00 0.00 0.00 0.00 33.01 29.06 2oik s GLN 125 CO 0.55 -0.68 0.97 0.00 0.00 0.00 0.00 175.29 176.12 2oik n ALA 126 N 6.41 0.19 -1.73 2.60 0.00 -1.26 -4.80 120.51 121.92 2oik n ALA 126 Ca 0.14 0.06 -0.42 0.00 0.00 0.00 0.00 53.44 53.22 2oik n ALA 126 Cb 0.45 -2.10 -0.02 0.00 0.00 0.00 0.00 19.45 17.77 2oik n ALA 126 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2oik n LEU 127 N -0.40 4.12 -4.63 0.00 4.77 -1.26 -5.01 117.00 114.60 2oik n LEU 127 Ca 0.12 1.10 -0.29 0.00 -0.03 0.00 0.00 56.01 56.91 2oik n LEU 127 Cb 0.45 -1.58 0.20 0.00 -2.33 0.00 0.00 43.42 40.17 2oik n LEU 127 CO 0.51 0.15 0.62 1.51 -1.33 0.00 0.00 177.39 178.86 2oik s ASP 128 N 0.87 1.98 0.39 -1.43 -4.77 -1.26 -4.86 116.67 107.58 2oik s ASP 128 Ca 0.70 1.07 0.10 0.00 -3.30 0.00 0.00 52.55 51.12 2oik s ASP 128 Cb -0.51 -1.65 0.79 0.00 -1.09 0.00 0.00 42.92 40.46 2oik s ASP 128 CO 0.39 -3.52 1.91 1.56 0.70 0.00 0.00 175.17 176.21 2oik h GLN 129 N -2.16 0.18 -0.58 2.11 4.20 -1.99 -2.54 115.11 114.34 2oik h GLN 129 Ca -0.53 -0.05 -0.10 0.00 0.06 0.00 0.00 58.65 58.03 2oik h GLN 129 Cb 1.33 -0.02 -0.02 0.00 0.30 0.00 0.00 27.48 29.06 2oik h GLN 129 CO 0.52 0.36 -0.05 0.78 -0.67 0.00 0.00 178.83 179.78 2oik h GLY 130 N 0.77 1.13 1.25 3.46 0.00 -1.98 -1.07 103.07 106.63 2oik h GLY 130 Ca 0.03 -0.86 -0.20 0.00 0.00 0.00 0.00 47.33 46.31 2oik h GLY 130 CO 0.03 0.79 -0.66 1.76 0.00 0.00 0.00 176.54 178.46 2oik h SER 131 N 0.94 0.88 -0.27 0.19 0.02 -1.88 0.83 113.55 114.27 2oik h SER 131 Ca 0.16 -0.52 -0.12 0.00 -0.84 0.00 0.00 61.79 60.46 2oik h SER 131 Cb 0.61 -0.26 -0.00 0.00 0.14 0.00 0.00 62.40 62.89 2oik h SER 131 CO 0.04 1.31 -0.32 0.74 -1.14 0.00 0.00 176.83 177.46 2oik h THR 132 N 0.56 1.31 -0.48 -2.27 2.02 -1.47 -0.60 112.91 111.98 2oik h THR 132 Ca -0.02 -1.50 -0.06 0.00 0.77 0.00 0.00 66.41 65.61 2oik h THR 132 Cb 1.26 1.64 -0.02 0.00 -1.74 0.00 0.00 68.15 69.29 2oik h THR 132 CO 0.14 0.48 0.06 0.74 0.37 0.00 0.00 175.52 177.31 2oik h THR 133 N 0.43 1.22 -0.66 3.16 2.02 -1.22 -2.02 112.91 115.84 2oik h THR 133 Ca 0.04 -0.87 -0.07 0.00 0.77 0.00 0.00 66.41 66.28 2oik h THR 133 Cb 0.90 0.79 -0.03 0.00 -1.74 0.00 0.00 68.15 68.07 2oik h THR 133 CO 0.08 0.31 0.13 0.00 0.37 0.00 0.00 175.52 176.41 2oik h ALA 134 N 1.35 0.98 -0.06 6.16 0.00 -0.62 -1.55 119.26 125.52 2oik h ALA 134 Ca 0.15 -0.26 -0.00 0.00 0.00 0.00 0.00 54.91 54.80 2oik h ALA 134 Cb 0.35 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 17.88 2oik h ALA 134 CO 0.01 0.65 0.04 -0.07 0.00 0.00 0.00 179.25 179.87 2oik h LEU 135 N 1.01 0.08 -0.69 0.00 3.38 -0.88 -0.93 115.31 117.27 2oik h LEU 135 Ca 0.21 -0.07 0.10 0.00 0.09 0.00 0.00 57.88 58.20 2oik h LEU 135 Cb 0.40 -0.02 -0.07 0.00 0.09 0.00 0.00 40.66 41.06 2oik h LEU 135 CO 0.01 0.12 0.33 0.11 0.09 0.00 0.00 178.44 179.10 2oik h LYS 136 N 0.02 0.54 -0.06 1.13 1.57 -1.28 -0.29 116.57 118.21 2oik h LYS 136 Ca 0.02 -0.03 -0.02 0.00 -1.87 0.00 0.00 60.65 58.75 2oik h LYS 136 Cb 0.06 -0.12 -0.00 0.00 0.08 0.00 0.00 32.23 32.25 2oik h LYS 136 CO -0.00 0.35 -0.05 -0.22 -0.57 0.00 0.00 179.45 178.96 2oik h LYS 137 N 0.55 0.14 -0.76 3.15 3.64 -1.16 -1.15 116.57 120.99 2oik h LYS 137 Ca 0.35 -0.07 0.07 0.00 -1.27 0.00 0.00 60.65 59.73 2oik h LYS 137 Cb 0.39 -0.00 -0.06 0.00 -0.41 0.00 0.00 32.23 32.15 2oik h LYS 137 CO -0.29 0.56 0.43 0.00 -2.27 0.00 0.00 179.45 177.89 2oik h ALA 138 N 0.58 1.05 -0.12 5.00 0.00 -1.01 0.07 119.26 124.83 2oik h ALA 138 Ca 0.01 0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.93 2oik h ALA 138 Cb 0.53 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 18.17 2oik h ALA 138 CO 0.01 0.10 0.01 0.82 0.00 0.00 0.00 179.25 180.20 2oik h ILE 139 N 0.77 1.23 -0.61 0.00 2.04 -1.00 -3.15 117.51 116.79 2oik h ILE 139 Ca 0.35 -0.74 -0.01 0.00 1.00 0.00 0.00 64.86 65.46 2oik h ILE 139 Cb 0.25 1.49 -0.03 0.00 -0.74 0.00 0.00 36.82 37.79 2oik h ILE 139 CO -0.21 0.21 0.35 -1.28 0.00 0.00 0.00 178.15 177.23 2oik h SER 140 N -0.04 0.75 -0.37 1.72 0.87 -0.87 -2.03 113.55 113.59 2oik h SER 140 Ca 0.04 -0.08 0.00 0.00 -1.23 0.00 0.00 61.79 60.52 2oik h SER 140 Cb 0.32 -0.19 -0.02 0.00 -0.44 0.00 0.00 62.40 62.07 2oik h SER 140 CO 0.00 0.62 0.24 -0.37 -0.53 0.00 0.00 176.83 176.79 2oik h VAL 141 N 0.83 1.10 0.01 2.23 -1.51 -1.05 -0.32 116.25 117.53 2oik h VAL 141 Ca 0.22 -0.19 -0.22 0.00 -1.23 0.00 0.00 66.70 65.28 2oik h VAL 141 Cb 0.02 0.56 -0.00 0.00 -2.13 0.00 0.00 31.29 29.74 2oik h VAL 141 CO -0.04 0.10 -0.93 0.03 -1.23 0.00 0.00 177.57 175.50 2oik h ARG 142 N 0.50 0.33 0.00 5.19 3.08 -1.41 -3.38 114.38 118.69 2oik h ARG 142 Ca 0.14 -0.36 0.00 0.00 0.07 0.00 0.00 59.98 59.82 2oik h ARG 142 Cb -0.05 0.10 0.00 0.00 0.08 0.00 0.00 29.97 30.11 2oik h ARG 142 CO -0.03 1.06 -1.53 1.28 -1.07 0.00 0.00 179.97 179.68 2oik n LEU 143 N -3.70 0.28 -0.79 3.04 4.77 -0.80 -5.08 117.00 114.71 2oik n LEU 143 Ca -0.06 -0.16 0.10 0.00 -0.03 0.00 0.00 56.01 55.86 2oik n LEU 143 Cb 0.83 0.00 0.08 0.00 -2.33 0.00 0.00 43.42 42.00 2oik n LEU 143 CO 0.50 0.07 0.56 0.47 -1.33 0.00 0.00 177.39 177.66