NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 K 4.2900 8.3144 120.1347 55.7774 34.3375 175.2688 2 K 4.0838 7.5164 116.1218 55.2915 34.6972 172.2619 3 Q 4.6122 8.6436 124.0947 54.3701 31.8957 176.8092 4 C 4.4899 8.3868 121.7002 56.1428 40.3467 173.5765 5 G 3.8548 7.4628 110.4514 42.9467 0.0000 170.5100 6 V 3.5570 8.2449 118.2692 66.3311 31.3207 178.5199 7 L 3.9696 7.8047 118.1076 57.7191 41.4959 179.2579 8 E 4.0063 8.1334 117.3357 59.1879 29.6736 179.1026 9 G 3.5218 8.3648 107.1208 47.4694 0.0000 175.3343 10 L 3.9346 8.0669 121.8628 57.5144 41.6630 179.5586 11 K 3.9047 8.1172 119.2755 59.5883 32.1232 178.9208 12 V 2.9236 7.7551 118.5339 65.5774 31.2421 177.9550 13 K 3.9162 7.8921 118.1860 59.6729 31.8950 179.4470 14 S 4.1696 7.9032 114.6058 61.8839 62.9809 176.7242 15 E 4.1854 8.5855 121.3640 59.0286 29.2100 179.3091 16 W 4.7500 9.3623 129.1097 60.5399 29.5405 177.8549 17 G 3.8699 8.4371 105.8876 48.3916 0.0000 175.7313 18 R 4.0549 8.0148 119.3308 58.4925 30.1158 178.6372 19 A 3.8968 7.6173 119.5952 54.3574 18.7154 178.6677 20 Y 3.1725 7.4013 118.0145 60.6773 39.1394 177.7534 21 G 3.6673 7.2292 104.8578 44.9814 0.0000 171.6792 22 S 4.3271 7.7905 111.6280 57.0246 67.1736 175.5226 23 G 3.7178 8.2365 109.8033 46.7429 0.0000 176.0799 24 H 4.2736 8.6852 118.6062 58.7844 28.3721 176.7023 25 D 4.3931 8.0778 120.3272 57.3289 40.5546 178.7156 26 R 3.8692 7.6572 119.2876 59.2243 30.0803 178.2876 27 E 4.0059 8.2026 118.2123 59.5119 29.4519 179.1812 28 A 4.0601 8.1042 120.6181 55.1767 18.3790 179.3716 29 F 4.1763 8.5430 119.2460 61.6416 39.4362 177.5345 30 S 4.1697 8.5592 114.9355 61.8270 62.5999 176.8014 31 Q 4.2439 8.4200 120.5319 58.8913 28.4910 178.4659 32 A 3.9797 8.3374 122.1935 55.2155 18.3686 179.8418 33 I 3.3116 7.2764 117.8582 64.2404 37.0335 178.8008 34 W 3.8136 7.8330 119.3611 59.4807 28.7597 178.9383 35 R 3.9687 8.4750 118.4306 59.2149 29.2626 178.9332 36 A 3.9579 7.9786 120.5458 55.1954 18.1579 179.9721 37 T 3.7896 7.5967 114.3014 66.9073 68.0796 176.9255 38 F 4.6398 8.2055 119.7938 60.8044 38.7090 177.5780 39 A 4.0960 8.3160 119.7880 55.1252 18.1984 179.0518 40 Q 4.2294 7.7179 116.9095 57.6753 30.8501 176.6101 41 V 4.5621 8.2333 113.0110 57.8513 31.9776 174.2110 42 P 4.4501 0.0000 0.0000 65.0253 30.8544 178.2031 43 E 3.9895 8.3991 118.4672 59.6623 29.2761 179.2707 44 S 3.8399 8.2572 114.3351 60.9354 62.8697 176.1742 45 R 3.2836 7.5392 123.0329 59.5287 29.3389 178.3867 46 S 4.1408 7.4951 111.3383 61.1084 62.9251 176.1874 47 L 3.9652 7.9055 122.0337 56.4067 41.3965 177.6159 48 F 4.7515 7.7780 117.2096 56.9041 39.7229 177.6053 49 K 3.9419 8.0307 125.2494 59.4463 32.1465 178.9349 50 R 3.9664 8.0129 117.8601 58.3250 30.0887 176.9880 51 V 4.4197 7.4654 115.5760 61.2468 31.8065 174.7972 52 H 4.1919 7.6732 114.8232 56.4107 26.3673 177.3114 53 G 3.4382 8.6267 110.4551 48.1522 0.0000 175.4692 54 D 4.1594 8.0288 119.2869 55.4088 39.6425 175.0634 55 D 4.5807 8.1559 119.1155 52.2022 42.3007 175.6474 56 T 3.6547 8.3365 116.5277 63.0849 69.0027 175.3378 57 S 4.5777 8.1719 117.6450 59.4459 63.9472 174.6996 58 H 4.2123 8.1820 121.6649 55.4383 31.1949 173.9973 59 P 4.2837 0.0000 0.0000 66.1419 31.1259 178.6274 60 A 4.0888 8.1889 119.9977 54.7900 18.2778 179.1813 61 F 4.1314 8.2441 118.9897 61.1141 39.5362 177.3658 62 I 3.6976 8.1018 119.4289 64.3160 36.9040 177.9292 63 A 3.9808 8.0118 121.4324 55.6194 18.1429 179.0760 64 H 3.9444 7.9796 115.9286 59.3868 29.8873 177.3137 65 A 3.8899 7.7595 122.7800 55.1918 18.1181 179.3654 66 D 4.4723 8.5569 117.9215 57.4475 40.8983 178.8830 67 R 3.9412 8.2391 119.4207 59.3924 29.9999 178.5888 68 V 3.6669 7.9769 117.9810 66.3250 31.5777 178.1303 69 L 4.3767 8.3960 118.5629 57.4556 41.2860 179.8688 70 G 3.8815 8.7150 106.7746 47.8437 0.0000 176.0969 71 G 3.6368 8.1818 108.5757 47.3590 0.0000 175.5592 72 L 3.8636 8.3589 123.3681 57.7421 41.9208 178.5597 73 D 3.9454 8.2503 118.2331 57.2122 41.3144 178.3117 74 I 3.6665 7.5522 120.0037 64.2352 36.9020 178.1735 75 A 3.9043 7.4992 119.9754 55.2366 18.5647 179.4225 76 I 3.5491 7.6674 118.7286 64.5134 36.9401 178.8877 77 S 4.2639 8.0688 113.9900 60.7473 62.6889 175.6011 78 T 4.5080 7.3033 111.6577 61.4484 68.7771 176.1243 79 L 3.8716 7.7766 124.4537 58.2251 41.6747 177.8992 80 D 4.6601 7.9276 114.8547 53.6466 40.1287 176.7386 81 Q 4.5165 7.9719 120.6669 52.5137 29.2137 173.7859 82 P 4.2237 0.0000 0.0000 65.7171 31.5629 178.4108 83 A 3.9747 7.9130 119.9562 55.1977 18.3050 179.6331 84 T 3.8300 7.7925 113.8376 66.4675 68.5984 176.5260 85 L 3.8794 8.0241 122.3441 58.0678 42.0567 178.8236 86 K 3.8334 8.3087 119.8162 59.6337 32.2084 178.4179 87 E 3.9380 8.0541 118.4360 59.4387 29.4271 179.0500 88 E 3.9494 8.3246 119.3982 59.3460 29.6684 178.8634 89 L 4.0351 8.5843 119.3711 57.7696 41.6244 179.2103 90 D 4.3427 8.3928 119.2079 57.6049 40.5387 178.2562 91 H 4.1323 7.9006 117.1351 59.2873 30.0994 177.0475 92 L 4.3661 8.1217 120.7893 57.7881 41.3937 179.0932 93 Q 4.4599 8.3965 121.2892 58.7980 28.7510 178.6737 94 V 3.7317 7.6933 117.9296 66.1059 31.6261 177.6058 95 Q 4.1353 7.7798 115.7813 57.8329 28.8604 176.8904 96 H 4.7954 7.9537 115.9592 54.8472 30.4154 174.1922 97 E 4.1876 7.9044 119.9380 57.4448 30.0542 175.3934 98 G 4.1830 9.0096 109.9715 46.0223 0.0000 174.5254 99 R 4.0764 7.3313 117.2511 55.9316 30.5412 177.4390 100 K 4.2281 8.3013 121.9218 54.9304 30.7093 174.5696 101 I 4.3136 7.7585 121.6622 58.3642 38.3028 174.0652 102 P 4.5326 0.0000 0.0000 61.9229 32.4336 177.0465 103 D 4.6292 9.0064 119.6855 58.0451 40.6780 178.8382 104 N 4.2308 8.2220 116.8248 57.1699 38.8607 176.1750 105 Y 4.4509 8.3816 118.1792 61.3554 38.1844 177.8705 106 F 4.1837 8.4675 118.1808 60.7394 38.9625 177.2473 107 D 4.4227 8.6833 117.4785 57.3712 41.0354 178.1486 108 A 4.0594 8.0847 120.9030 54.9915 18.2859 179.3923 109 F 4.0953 8.5068 120.7378 60.7225 39.4978 177.1000 110 K 3.8036 8.2965 119.2497 59.9861 31.8763 178.7238 111 T 3.8380 7.9013 115.5139 66.4282 68.2509 176.3228 112 A 3.7764 8.0698 122.8919 55.1872 18.3240 179.3570 113 I 3.2546 7.3365 118.4340 64.7387 37.2175 178.6034 114 L 3.7665 7.8419 119.3029 57.9266 41.4672 179.2092 115 H 3.9989 8.2353 118.4176 59.1860 29.8219 177.6141 116 V 3.4152 7.8287 120.4005 65.6671 31.3251 178.1377 117 V 3.3956 7.6511 117.9158 65.8847 31.2413 177.5918 118 A 2.8044 7.1644 120.1211 54.8630 17.7833 179.5360 119 A 3.7644 7.2893 117.6575 55.3935 18.5448 179.4380 120 Q 4.0426 8.0984 115.7510 58.2823 28.9483 178.2691 121 L 4.5864 7.8347 117.0802 51.4504 42.6666 178.8249 122 G 3.9122 8.1873 110.0682 46.9428 0.0000 175.6682 123 R 4.1997 9.1355 120.8731 58.8984 30.8417 177.3648 124 C 4.6798 7.6320 116.3021 58.3131 25.6839 172.2106 125 Y 5.5689 7.3539 115.8403 55.8202 40.5454 175.1941 126 D 4.4718 8.5769 121.2837 52.3686 42.5380 177.0346 127 R 3.6069 7.6161 127.7878 59.4813 30.2662 177.9743 128 E 3.9719 8.1595 117.6463 59.2960 29.4358 179.1595 129 A 3.9700 8.5938 121.0447 54.8517 18.5048 179.6515 130 W 3.9207 8.3286 117.5279 59.8894 29.1924 178.0644 131 D 4.4011 8.6724 118.0662 57.5041 40.6755 178.2718 132 A 4.0143 8.0535 121.0585 55.4886 18.3958 179.0216 133 C 4.2822 8.2114 115.0225 59.9950 38.3484 176.4151 134 I 3.6738 8.4275 121.9149 64.1849 36.6097 177.8891 135 D 4.3956 8.1577 119.9110 57.9595 40.5329 178.4827 136 H 4.1610 7.9955 116.8448 59.4137 29.6047 177.0417 137 I 3.7622 7.7168 121.4754 64.4230 36.8884 178.3201 138 E 3.9426 8.6046 119.8821 59.3143 29.2335 178.8251 139 D 4.3707 8.4725 119.6201 57.6551 40.7124 179.4455 140 G 3.5799 7.4885 103.7935 47.2747 0.0000 175.3745 141 I 4.0257 7.3350 121.4830 63.7660 37.2637 178.2347 142 K 3.7992 7.8708 119.2338 57.4677 31.9487 178.8306 143 G 3.8979 7.9249 105.8270 45.7645 0.0000 173.3734 144 H 4.7107 7.4967 115.7104 54.7620 29.9855 174.9605 145 H 4.2146 8.9795 117.1995 56.6824 28.5176 175.4309 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 1 K 8.31 4.29 0.00 1.80 2.05 0.00 1.76 0.00 0.00 1.71 0.00 0.00 2.91 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.35 1.44 7.81 2 K 7.52 4.08 0.00 1.72 1.60 0.00 1.74 0.00 0.00 1.80 0.00 0.00 2.93 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.28 1.51 7.81 3 Q 8.64 4.61 0.00 2.04 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 7.31 0.00 0.00 0.00 0.00 0.00 2.25 2.30 0.00 4 C 8.39 4.49 0.00 2.92 2.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 G 7.46 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 V 8.24 3.56 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.90 0.00 0.00 7 L 7.80 3.97 0.00 1.75 1.68 0.91 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 8 E 8.13 4.01 0.00 2.08 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.48 0.00 9 G 8.36 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 L 8.07 3.93 0.00 1.99 1.72 0.90 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 11 K 8.12 3.90 0.00 1.81 1.89 0.00 1.65 0.00 0.00 1.73 0.00 0.00 2.95 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.48 1.57 7.81 12 V 7.76 2.92 1.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.32 0.00 0.00 0.30 0.00 0.00 13 K 7.89 3.92 0.00 2.04 1.88 0.00 1.68 0.00 0.00 1.62 0.00 0.00 2.96 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.52 1.57 7.81 14 S 7.90 4.17 0.00 4.05 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 E 8.59 4.19 0.00 2.65 2.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.63 0.00 16 W 9.36 4.75 0.00 3.56 3.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 G 8.44 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 R 8.01 4.05 0.00 1.83 1.99 0.00 3.17 0.00 0.00 3.25 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.63 0.00 19 A 7.62 3.90 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 Y 7.40 3.17 0.00 1.43 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 G 7.23 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 S 7.79 4.33 0.00 3.82 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 G 8.24 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 H 8.69 4.27 0.00 3.18 3.33 0.00 5.63 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 D 8.08 4.39 0.00 2.71 2.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 R 7.66 3.87 0.00 1.59 1.97 0.00 2.96 0.00 0.00 3.02 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.39 0.00 27 E 8.20 4.01 0.00 2.32 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.37 0.00 28 A 8.10 4.06 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 F 8.54 4.18 0.00 3.16 3.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 S 8.56 4.17 0.00 4.20 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 Q 8.42 4.24 0.00 2.30 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.79 0.00 0.00 0.00 0.00 0.00 2.58 2.79 0.00 32 A 8.34 3.98 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 I 7.28 3.31 1.56 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.13 0.06 0.00 0.00 34 W 7.83 3.81 0.00 3.55 3.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 R 8.48 3.97 0.00 1.90 2.00 0.00 3.17 0.00 0.00 3.20 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.81 0.00 36 A 7.98 3.96 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 T 7.60 3.79 4.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 38 F 8.21 4.64 0.00 3.07 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 A 8.32 4.10 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 Q 7.72 4.23 0.00 2.06 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 7.15 0.00 0.00 0.00 0.00 0.00 2.42 2.43 0.00 41 V 8.23 4.56 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.00 0.00 1.01 0.00 0.00 42 P 0.00 4.45 0.00 2.24 2.33 0.00 3.94 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 1.95 0.00 43 E 8.40 3.99 0.00 2.20 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.46 0.00 44 S 8.26 3.84 0.00 3.77 2.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 R 7.54 3.28 0.00 1.53 1.70 0.00 2.62 0.00 0.00 2.90 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.50 0.00 46 S 7.50 4.14 0.00 4.07 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 L 7.91 3.97 0.00 1.27 0.86 1.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 48 F 7.78 4.75 0.00 3.24 3.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 K 8.03 3.94 0.00 1.91 1.74 0.00 1.53 0.00 0.00 1.67 0.00 0.00 2.89 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.45 1.42 7.81 50 R 8.01 3.97 0.00 1.76 1.91 0.00 3.22 0.00 0.00 3.25 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.60 0.00 51 V 7.47 4.42 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.00 0.00 1.02 0.00 0.00 52 H 7.67 4.19 0.00 3.41 3.33 0.00 5.84 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 G 8.63 3.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 D 8.03 4.16 0.00 2.75 2.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 D 8.16 4.58 0.00 2.68 2.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 T 8.34 3.65 4.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.00 0.00 57 S 8.17 4.58 0.00 4.05 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 H 8.18 4.21 0.00 3.48 3.33 0.00 5.60 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 P 0.00 4.28 0.00 2.28 2.28 0.00 3.16 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.91 0.00 60 A 8.19 4.09 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 F 8.24 4.13 0.00 3.34 3.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 I 8.10 3.70 2.05 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.79 1.00 0.00 0.00 63 A 8.01 3.98 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 H 7.98 3.94 0.00 3.19 3.08 0.00 5.79 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 A 7.76 3.89 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 D 8.56 4.47 0.00 2.86 2.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 R 8.24 3.94 0.00 2.14 2.05 0.00 3.14 0.00 0.00 3.13 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.69 0.00 68 V 7.98 3.67 2.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 1.02 0.00 0.00 69 L 8.40 4.38 0.00 2.15 2.20 1.38 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 70 G 8.71 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 G 8.18 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 L 8.36 3.86 0.00 1.75 1.70 0.80 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 73 D 8.25 3.95 0.00 2.94 2.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 I 7.55 3.67 2.03 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.11 0.90 0.00 0.00 75 A 7.50 3.90 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 I 7.67 3.55 1.13 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.48 0.61 0.00 0.00 77 S 8.07 4.26 0.00 4.04 4.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 T 7.30 4.51 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 79 L 7.78 3.87 0.00 1.64 1.71 0.75 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 80 D 7.93 4.66 0.00 2.76 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 Q 7.97 4.52 0.00 2.06 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.07 6.82 0.00 0.00 0.00 0.00 0.00 2.25 2.24 0.00 82 P 0.00 4.22 0.00 2.25 2.31 0.00 3.68 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.03 0.00 83 A 7.91 3.97 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 T 7.79 3.83 4.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 85 L 8.02 3.88 0.00 1.93 1.82 0.91 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 86 K 8.31 3.83 0.00 1.97 1.95 0.00 1.55 0.00 0.00 1.63 0.00 0.00 3.01 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.43 1.52 7.81 87 E 8.05 3.94 0.00 2.37 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.37 0.00 88 E 8.32 3.95 0.00 2.06 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.40 0.00 89 L 8.58 4.04 0.00 1.64 1.66 0.85 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 90 D 8.39 4.34 0.00 2.90 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 H 7.90 4.13 0.00 3.16 3.56 0.00 5.95 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 L 8.12 4.37 0.00 1.95 1.79 0.96 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 93 Q 8.40 4.46 0.00 2.35 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.80 0.00 0.00 0.00 0.00 0.00 2.35 2.33 0.00 94 V 7.69 3.73 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.00 0.00 0.96 0.00 0.00 95 Q 7.78 4.14 0.00 2.19 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.55 0.00 0.00 0.00 0.00 0.00 2.34 2.45 0.00 96 H 7.95 4.80 0.00 3.29 3.46 0.00 5.81 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 E 7.90 4.19 0.00 2.07 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.34 0.00 98 G 9.01 4.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 R 7.33 4.08 0.00 1.96 1.85 0.00 3.12 0.00 0.00 3.13 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.58 0.00 100 K 8.30 4.23 0.00 1.74 1.76 0.00 1.69 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.40 1.44 7.81 101 I 7.76 4.31 2.05 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.65 0.71 0.00 0.00 102 P 0.00 4.53 0.00 2.03 1.99 0.00 2.83 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 1.36 0.00 103 D 9.01 4.63 0.00 2.75 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 N 8.22 4.23 0.00 2.84 2.74 0.00 0.00 7.23 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 Y 8.38 4.45 0.00 3.02 2.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 F 8.47 4.18 0.00 3.38 3.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 D 8.68 4.42 0.00 3.08 2.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 A 8.08 4.06 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 F 8.51 4.10 0.00 2.96 3.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 K 8.30 3.80 0.00 2.23 2.06 0.00 1.77 0.00 0.00 1.78 0.00 0.00 3.02 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.50 1.57 7.81 111 T 7.90 3.84 4.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 112 A 8.07 3.78 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 I 7.34 3.25 1.83 0.00 0.00 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 -0.29 0.98 0.00 0.00 114 L 7.84 3.77 0.00 1.98 1.76 1.18 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 115 H 8.24 4.00 0.00 3.22 3.36 0.00 5.78 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 V 7.83 3.42 1.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.71 0.00 0.00 0.81 0.00 0.00 117 V 7.65 3.40 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 0.64 0.00 0.00 118 A 7.16 2.80 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 119 A 7.29 3.76 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 Q 8.10 4.04 0.00 2.08 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.71 0.00 0.00 0.00 0.00 0.00 2.64 2.70 0.00 121 L 7.83 4.59 0.00 1.59 1.73 1.10 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 122 G 8.19 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 R 9.14 4.20 0.00 1.85 2.04 0.00 3.23 0.00 0.00 3.24 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.66 0.00 124 C 7.63 4.68 0.00 2.97 2.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 Y 7.35 5.57 0.00 3.21 2.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 126 D 8.58 4.47 0.00 2.69 2.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 127 R 7.62 3.61 0.00 1.61 1.77 0.00 3.37 0.00 0.00 3.38 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.83 0.00 128 E 8.16 3.97 0.00 2.17 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.36 0.00 129 A 8.59 3.97 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 W 8.33 3.92 0.00 3.62 3.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 131 D 8.67 4.40 0.00 2.96 2.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 132 A 8.05 4.01 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 133 C 8.21 4.28 0.00 2.90 2.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 134 I 8.43 3.67 1.97 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 1.12 1.00 0.00 0.00 135 D 8.16 4.40 0.00 3.11 2.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 136 H 8.00 4.16 0.00 3.16 3.49 0.00 5.95 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 137 I 7.72 3.76 1.97 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.82 0.88 0.00 0.00 138 E 8.60 3.94 0.00 2.16 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.61 0.00 139 D 8.47 4.37 0.00 2.75 2.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 140 G 7.49 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 141 I 7.34 4.03 1.91 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.29 0.95 0.00 0.00 142 K 7.87 3.80 0.00 1.49 1.64 0.00 1.56 0.00 0.00 0.87 0.00 0.00 2.81 0.00 0.00 2.87 0.00 0.00 0.00 0.00 0.30 0.89 7.81 143 G 7.92 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 144 H 7.50 4.71 0.00 3.09 3.19 0.00 5.74 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 145 H 8.98 4.21 0.00 3.11 3.26 0.00 5.73 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00