NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 D 4.3146 8.3649 120.5163 53.7863 42.6161 174.9619 2 F 4.4261 7.8264 119.5018 58.0676 39.5895 175.7572 3 D 4.7473 9.8039 121.2321 55.0155 40.2920 174.6332 4 C 5.0737 7.7407 115.3866 53.8315 39.5413 172.1300 5 P 4.5403 0.0000 0.0000 62.1379 31.6609 175.5302 6 S 4.3209 8.4316 113.2676 60.4483 62.4949 173.8181 7 D 4.9655 9.0698 125.8148 54.1168 39.2338 174.8787 8 W 4.7121 8.0071 117.5570 56.4054 30.6080 175.9436 9 T 5.0027 9.4226 117.9053 61.9260 71.1822 173.4297 10 A 5.0689 9.5077 128.0525 51.4754 20.6988 177.1325 11 Y 4.0647 9.0290 122.6694 56.9232 40.8760 174.2293 12 D 4.0231 8.0828 131.2820 54.7190 39.3079 175.0091 13 Q 4.2934 8.8927 116.4389 56.5440 28.4330 174.7284 14 H 5.3241 8.3530 115.0426 54.1536 33.4556 171.7502 15 C 5.6470 8.5848 117.1348 55.5227 38.5613 173.0545 16 Y 5.6271 9.7737 120.1934 56.5656 42.1270 174.4084 17 L 4.3787 8.4821 122.0481 53.7630 45.8104 173.9334 18 A 4.9161 8.2619 127.7234 50.4719 21.0921 176.0335 19 I 3.9841 8.3538 122.9150 59.3260 39.0024 177.2518 20 G 3.2204 8.7873 117.0126 48.0017 0.0000 172.8679 21 E 3.8639 7.8539 121.1287 55.1125 29.4151 174.3606 22 P 4.7782 0.0000 0.0000 63.6038 32.1587 175.5511 23 Q 4.8233 9.0901 119.5880 54.4300 34.0476 173.9884 24 N 5.9313 8.6795 118.7883 51.7587 39.0785 175.7447 25 W 2.5400 8.5161 128.3215 60.3219 30.2392 177.4058 26 Y 4.1531 7.3449 115.8354 61.3180 37.3596 178.4106 27 E 3.9268 9.0340 119.6193 58.8947 29.5035 179.2944 28 A 2.7798 7.5649 121.0252 54.6819 18.3447 179.1567 29 E 3.3937 7.2481 117.9133 59.1464 29.2777 178.9545 30 R 3.7924 7.6676 117.6507 59.3481 30.4558 177.7312 31 F 4.2785 8.2792 120.5186 61.7755 39.3674 176.3649 32 C 4.3912 8.3675 116.1761 60.3328 39.8038 176.2711 33 T 4.0323 7.6284 111.3395 63.8882 68.3274 175.9102 34 E 4.0208 7.6471 120.4009 58.4284 29.6137 177.8481 35 Q 3.8848 7.6221 117.1579 57.9944 29.3420 175.4288 36 A 3.8879 7.2056 118.2411 50.6871 21.6471 176.5655 37 K 3.7257 8.5716 121.1960 59.1968 31.9685 177.8417 38 D 4.9778 7.6105 116.4063 52.5369 40.1908 176.1836 39 G 3.8540 7.8478 107.2619 48.1701 0.0000 173.3557 40 H 5.1740 8.7488 118.7456 54.4010 34.1337 173.1619 41 L 4.6254 8.8042 120.4670 54.5190 42.3081 178.1094 42 V 3.9395 8.8424 122.1969 62.1994 32.4441 175.1839 43 S 4.8388 8.7176 117.5007 56.4928 64.9479 173.6141 44 I 4.5344 8.2310 124.9077 60.2780 37.3472 175.0995 45 Q 4.6475 9.1991 124.2179 55.7311 29.2992 176.5477 46 S 4.7140 7.5069 112.2142 56.2109 66.7356 175.3065 47 R 3.9185 8.5839 122.8512 59.6535 29.8702 178.7339 48 E 4.0281 8.2006 118.1193 59.3789 29.5154 178.7210 49 E 3.6894 8.5717 119.5756 58.9818 29.6022 178.9954 50 G 3.7579 8.3397 106.0172 48.0253 0.0000 175.4267 51 N 4.4016 8.4799 119.2344 55.8302 38.4529 177.3596 52 F 4.0458 8.0661 122.0852 61.1993 39.4666 177.3307 53 V 2.8366 7.8035 117.9635 65.7054 31.0687 177.6302 54 A 3.9120 7.7445 119.4347 55.2769 18.5132 179.1183 55 Q 3.9257 7.8405 117.9029 59.1541 28.9190 177.9822 56 L 3.6595 7.2445 120.3718 57.4706 42.1346 178.4776 57 V 3.6185 7.1822 110.0733 60.9047 31.7490 177.7490 58 S 4.3723 7.7260 117.5696 61.5226 62.3794 176.5182 59 G 3.6639 7.7638 109.5048 47.5485 0.0000 173.8793 60 F 4.9828 8.3771 118.5661 58.6020 39.2684 177.3517 61 M 4.2229 8.2526 121.5099 58.3966 31.7917 177.0783 62 H 4.5776 8.3467 111.5822 56.2540 29.4220 175.4667 63 R 4.0823 7.5732 119.9421 55.9950 30.4276 176.7618 64 S 4.3206 8.3064 113.3043 60.4323 63.6313 174.6957 65 E 4.3262 7.8830 120.7631 56.2178 30.0689 176.6989 66 I 3.9615 8.3928 123.1461 63.0502 38.4199 174.8641 67 Y 5.6301 7.4065 117.3446 54.8889 41.9321 175.1398 68 V 4.3681 7.7885 119.0758 60.6878 34.4346 174.6008 69 W 5.2298 8.9991 128.5955 57.2347 30.3023 175.2649 70 I 4.8749 8.8022 116.3489 58.3757 41.0418 176.0772 71 G 3.8703 9.1261 110.0842 46.0436 0.0000 172.8863 72 L 4.7003 7.7474 122.9548 53.2930 43.6095 175.5112 73 R 4.5581 8.0969 120.3542 55.5124 32.0434 173.2754 74 D 4.6803 8.2854 120.5635 52.8283 41.7197 176.5879 75 R 4.0940 8.6558 124.5589 56.7839 30.4914 177.0580 76 R 4.1438 7.7540 115.1952 55.9506 29.9731 176.8144 77 E 4.0831 8.5655 118.3834 59.1423 29.8189 177.9059 78 E 4.1678 7.9315 116.6546 56.6754 29.9541 176.7920 79 Q 4.3114 8.5147 118.5188 56.6226 29.3316 175.4834 80 Q 4.4985 7.4470 114.5208 55.2096 31.6226 174.0507 81 C 4.2362 8.4141 115.5320 61.6064 28.9347 174.5755 82 N 4.2827 8.0366 118.1457 53.2754 38.8365 172.7681 83 P 4.4472 0.0000 0.0000 64.6141 32.1305 175.5775 84 E 5.1034 7.9389 116.6583 54.2561 33.7178 174.8781 85 W 4.5314 9.0378 121.8923 55.6506 30.2282 177.4187 86 N 4.4143 9.1153 116.8049 56.2389 36.5121 175.5580 87 D 4.6030 8.2444 115.5030 53.1557 39.6053 177.1360 88 G 4.0579 8.3224 109.4184 45.6236 0.0000 174.6342 89 S 4.4227 8.3666 114.8767 57.6898 63.7780 173.9883 90 K 4.5857 8.4826 121.8509 56.5658 32.4742 176.7750 91 I 4.3233 8.2427 124.5848 60.9346 37.2109 174.3470 92 I 4.4563 8.0736 124.8416 62.8184 39.9038 174.7774 93 Y 4.2557 7.9820 121.4172 57.6906 39.4522 175.6383 94 V 4.1335 7.0965 118.5713 60.0362 36.3196 174.5794 95 N 4.7496 7.2850 117.8475 52.1109 38.7814 174.7803 96 W 4.4657 7.4787 118.9703 56.2644 30.5954 177.0694 97 K 4.2018 8.8130 123.7771 55.7332 32.4302 175.7943 98 E 4.1191 8.6821 122.1940 58.3206 29.4831 177.4089 99 G 4.0255 9.1732 112.0003 45.2603 0.0000 173.5378 100 E 4.1434 8.0340 117.6048 56.7175 30.3783 176.0530 101 S 3.8781 7.6666 115.1118 56.7853 62.8374 172.7192 102 K 4.8701 7.9271 126.7496 53.7668 32.5318 175.3249 103 M 4.3998 8.1099 119.6929 54.7761 32.8934 176.0258 104 C 5.1541 7.6900 116.0383 55.0523 39.1899 172.7223 105 Q 5.2431 8.8438 118.7252 54.5808 32.6775 174.8385 106 G 4.4276 8.6351 107.1410 44.6982 0.0000 172.1032 107 L 4.9889 9.1973 121.3489 54.8535 43.0931 176.3317 108 T 4.2387 8.4510 113.4243 59.7227 70.0799 175.7741 109 K 2.4800 8.2535 127.7794 58.5834 32.3367 178.4919 110 W 4.2508 7.9111 114.0432 58.2762 28.2235 176.3605 111 T 4.3770 6.6657 106.6797 60.9421 68.2699 174.0725 112 N 3.8657 8.5380 116.9582 54.9316 36.4651 174.1546 113 F 4.0970 7.6182 112.7060 59.3497 36.9633 176.4855 114 H 4.5764 8.0447 118.8764 57.5117 29.7656 175.6546 115 D 4.6264 7.8976 118.3811 52.9077 43.0541 175.5838 116 W 5.5948 8.2040 118.7118 55.2981 32.6253 174.8316 117 N 5.2771 8.8842 119.3135 51.9535 42.4776 172.8296 118 N 5.2086 8.8385 122.8505 52.4866 38.6947 173.9893 119 I 4.6075 9.1918 117.1432 58.5587 42.2434 173.6308 120 N 4.8625 8.5872 119.4832 53.1794 38.7339 175.9915 121 C 4.1128 9.0060 124.5499 60.1096 40.4145 175.8255 122 E 4.0194 8.4516 116.9854 58.1919 29.7374 176.7131 123 D 4.5982 8.3501 119.5577 54.1099 42.3479 175.1980 124 L 4.9869 7.9177 120.9983 53.8628 43.0200 175.6512 125 Y 4.9797 8.8022 120.5447 55.4290 43.1004 172.9708 126 P 4.8385 0.0000 0.0000 63.2452 33.4080 174.4109 127 F 5.1564 8.2732 114.2399 56.1495 41.9273 172.8051 128 V 4.8716 8.4643 117.3643 61.5785 34.5142 173.8683 129 C 5.5812 9.4095 125.1779 55.6975 37.9186 172.6358 130 K 5.5983 9.3302 121.4999 55.1552 35.8009 174.7058 131 F 5.1560 7.8427 118.2921 55.8906 41.1327 172.9618 132 S 4.5973 9.1666 117.1046 58.1240 62.9789 174.4971 133 A 4.3924 8.5705 127.8476 51.8521 19.1441 177.8129 134 V 3.9621 8.0599 118.6435 61.9263 31.7101 175.4175 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 D 8.36 4.31 0.00 2.72 2.65 0.00 0.00 0.00 0.00 0.00 0.00 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 F 7.83 4.43 0.00 3.21 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 3 D 9.80 4.75 0.00 2.90 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 4 C 7.74 5.07 0.00 3.05 3.04 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 5 P 0.00 4.54 0.00 2.25 2.14 0.00 3.58 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.56 0.00 6 S 8.43 4.32 0.00 3.92 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 D 9.07 4.97 0.00 2.99 2.95 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 8 W 8.01 4.71 0.00 3.39 3.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 T 9.42 5.00 4.48 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 1.60 0.00 0.00 10 A 9.51 5.07 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 Y 9.03 4.06 0.00 1.59 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 D 8.08 4.02 0.00 2.81 2.18 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 13 Q 8.89 4.29 0.00 2.10 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.57 6.70 0.00 0.00 0.00 0.00 0.00 2.34 2.30 0.00 14 H 8.35 5.32 0.00 3.42 2.89 0.00 5.75 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 C 8.58 5.65 0.00 1.23 2.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 Y 9.77 5.63 0.00 3.01 2.91 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 17 L 8.48 4.38 0.00 0.27 0.13 0.41 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 18 A 8.26 4.92 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 I 8.35 3.98 0.56 0.00 0.00 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.60 0.39 0.43 0.00 0.00 20 G 8.79 3.22 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 0.00 0.00 0.00 0.00 21 E 7.85 3.86 0.00 1.85 1.79 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 2.26 2.26 0.00 22 P 0.00 4.78 0.00 2.01 1.99 0.00 3.75 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 2.06 0.00 23 Q 9.09 4.82 0.00 1.87 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.86 0.00 0.00 0.00 0.00 0.00 2.65 2.51 0.00 24 N 8.68 5.93 0.00 3.27 3.21 0.00 0.00 6.35 8.88 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 25 W 8.52 2.54 0.00 1.78 2.03 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 7.34 4.15 0.00 3.19 3.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 E 9.03 3.93 0.00 1.90 2.04 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 2.47 2.49 0.00 28 A 7.56 2.78 0.33 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 29 E 7.25 3.39 0.00 1.16 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 2.03 2.16 0.00 30 R 7.67 3.79 0.00 1.91 2.08 0.00 3.34 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.63 0.00 31 F 8.28 4.28 0.00 3.21 3.31 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 32 C 8.37 4.39 0.00 3.18 3.34 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.63 4.03 4.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 34 E 7.65 4.02 0.00 1.89 1.85 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 2.26 2.41 0.00 35 Q 7.62 3.88 0.00 2.18 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.74 0.00 0.00 0.00 0.00 0.00 2.47 2.78 0.00 36 A 7.21 3.89 -0.08 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 0.00 0.00 0.00 0.00 0.00 0.00 37 K 8.57 3.73 0.00 1.61 1.78 0.00 1.68 0.00 0.00 1.71 0.00 0.00 2.83 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.38 1.40 7.81 38 D 7.61 4.98 0.00 2.84 2.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 G 7.85 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 40 H 8.75 5.17 0.00 3.13 3.14 0.00 5.63 0.00 0.00 0.00 0.00 6.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 L 8.80 4.63 0.00 1.40 1.60 -0.28 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 42 V 8.84 3.94 2.23 0.00 0.00 0.00 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 1.15 0.00 0.00 43 S 8.72 4.84 0.00 3.99 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 44 I 8.23 4.53 2.12 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.66 1.22 0.00 0.00 45 Q 9.20 4.65 0.00 2.13 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.62 0.00 0.00 0.00 0.00 0.00 2.41 2.37 0.00 46 S 7.51 4.71 0.00 4.09 4.01 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.58 3.92 0.00 1.91 1.99 0.00 3.14 0.00 0.00 3.31 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.72 0.00 48 E 8.20 4.03 0.00 2.14 2.18 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 2.46 2.39 0.00 49 E 8.57 3.69 0.00 2.21 2.18 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 2.34 2.16 0.00 50 G 8.34 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 N 8.48 4.40 0.00 2.96 2.94 0.00 0.00 6.67 8.67 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 52 F 8.07 4.05 0.00 2.70 2.58 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 53 V 7.80 2.84 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 0.82 0.00 0.00 0.90 0.00 0.00 54 A 7.74 3.91 1.17 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 0.00 0.00 55 Q 7.84 3.93 0.00 2.13 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.71 0.00 0.00 0.00 0.00 0.00 2.33 2.29 0.00 56 L 7.24 3.66 0.00 0.83 1.33 0.69 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 57 V 7.18 3.62 1.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.51 0.00 0.00 0.72 0.00 0.00 58 S 7.73 4.37 0.00 4.07 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 0.00 59 G 7.76 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 F 8.38 4.98 0.00 3.17 2.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 M 8.25 4.22 0.00 2.04 2.20 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.95 0.00 62 H 8.35 4.58 0.00 3.29 3.41 0.00 5.53 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 R 7.57 4.08 0.00 1.94 2.03 0.00 2.70 0.00 0.00 2.55 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.58 0.00 64 S 8.31 4.32 0.00 3.97 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 65 E 7.88 4.33 0.00 1.97 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 0.00 2.36 2.42 0.00 66 I 8.39 3.96 1.46 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.55 0.54 0.00 0.00 67 Y 7.41 5.63 0.00 1.43 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 V 7.79 4.37 1.79 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 0.87 0.00 0.00 0.26 0.00 0.00 69 W 9.00 5.23 0.00 3.42 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 70 I 8.80 4.87 1.67 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.67 0.85 0.00 0.00 71 G 9.13 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 72 L 7.75 4.70 0.00 1.57 1.38 0.91 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 73 R 8.10 4.56 0.00 1.25 0.78 0.00 2.34 0.00 0.00 2.25 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.70 1.14 0.00 74 D 8.29 4.68 0.00 2.62 2.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 R 8.66 4.09 0.00 1.80 1.91 0.00 3.25 0.00 0.00 3.27 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.53 0.00 76 R 7.75 4.14 0.00 2.04 1.96 0.00 3.24 0.00 0.00 3.20 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.80 0.00 77 E 8.57 4.08 0.00 1.97 2.04 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 2.30 2.26 0.00 78 E 7.93 4.17 0.00 1.92 1.89 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 2.32 2.41 0.00 79 Q 8.51 4.31 0.00 2.22 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.77 0.00 0.00 0.00 0.00 0.00 2.36 2.38 0.00 80 Q 7.45 4.50 0.00 2.06 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.04 6.96 0.00 0.00 0.00 0.00 0.00 2.23 2.41 0.00 81 C 8.41 4.24 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 82 N 8.04 4.28 0.00 2.64 2.68 0.00 0.00 6.99 7.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 P 0.00 4.45 0.00 2.26 2.28 0.00 3.68 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.98 0.00 84 E 7.94 5.10 0.00 1.99 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 2.27 2.28 0.00 85 W 9.04 4.53 0.00 3.56 3.17 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 86 N 9.12 4.41 0.00 2.91 3.08 0.00 0.00 6.01 8.06 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 87 D 8.24 4.60 0.00 2.83 2.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 G 8.32 4.06 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 0.00 0.00 0.00 89 S 8.37 4.42 0.00 4.11 4.06 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 90 K 8.48 4.59 0.00 1.85 1.85 0.00 1.79 0.00 0.00 1.75 0.00 0.00 3.00 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.50 1.45 7.81 91 I 8.24 4.32 1.72 0.00 0.00 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.10 0.04 0.67 0.00 0.00 92 I 8.07 4.46 2.01 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 1.37 0.71 0.99 0.00 0.00 93 Y 7.98 4.26 0.00 2.96 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 94 V 7.10 4.13 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.63 0.00 0.00 0.86 0.00 0.00 95 N 7.28 4.75 0.00 2.31 2.51 0.00 0.00 7.06 7.95 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 96 W 7.48 4.47 0.00 3.32 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 97 K 8.81 4.20 0.00 1.89 1.80 0.00 1.79 0.00 0.00 1.94 0.00 0.00 2.98 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.57 1.49 7.81 98 E 8.68 4.12 0.00 2.15 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.31 0.00 99 G 9.17 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 E 8.03 4.14 0.00 2.26 2.02 0.00 0.00 0.00 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 2.54 0.00 101 S 7.67 3.88 0.00 3.65 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 0.00 102 K 7.93 4.87 0.00 1.60 1.74 0.00 1.72 0.00 0.00 0.93 0.00 0.00 3.00 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.28 1.37 7.81 103 M 8.11 4.40 0.00 1.85 1.88 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.32 0.00 104 C 7.69 5.15 0.00 2.63 2.32 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.84 5.24 0.00 1.93 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.62 0.00 0.00 0.00 0.00 0.00 2.26 2.25 0.00 106 G 8.64 4.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 9.20 4.99 0.00 1.65 1.82 0.89 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 108 T 8.45 4.24 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.00 0.00 109 K 8.25 2.48 0.00 1.66 1.64 0.00 1.57 0.00 0.00 1.63 0.00 0.00 3.07 0.00 0.00 3.26 0.00 0.00 0.00 0.00 1.19 0.81 7.81 110 W 7.91 4.25 0.00 3.31 3.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 T 6.67 4.38 4.12 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 0.92 0.00 0.00 112 N 8.54 3.87 0.00 2.90 2.91 0.00 0.00 6.91 7.72 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 0.00 113 F 7.62 4.10 0.00 3.13 2.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 H 8.04 4.58 0.00 3.16 3.31 0.00 5.64 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 D 7.90 4.63 0.00 2.45 2.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 W 8.20 5.59 0.00 3.28 2.88 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 0.00 117 N 8.88 5.28 0.00 3.02 2.69 0.00 0.00 7.25 6.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 N 8.84 5.21 0.00 2.87 2.97 0.00 0.00 5.86 7.81 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 0.00 119 I 9.19 4.61 1.61 0.00 0.00 -0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 1.07 0.09 0.00 0.00 120 N 8.59 4.86 0.00 3.05 3.14 0.00 0.00 7.68 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 C 9.01 4.11 0.00 2.99 2.58 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 0.00 122 E 8.45 4.02 0.00 2.19 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 0.00 2.45 2.36 0.00 123 D 8.35 4.60 0.00 2.83 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 L 7.92 4.99 0.00 1.38 1.56 0.91 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 125 Y 8.80 4.98 0.00 1.99 2.50 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.84 0.00 1.24 1.65 0.00 3.85 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.35 0.00 127 F 8.27 5.16 0.00 3.27 3.40 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 0.00 128 V 8.46 4.87 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 1.20 0.00 0.00 0.88 0.00 0.00 129 C 9.41 5.58 0.00 2.98 3.35 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 0.00 130 K 9.33 5.60 0.00 1.55 1.56 0.00 1.66 0.00 0.00 1.78 0.00 0.00 2.76 0.00 0.00 2.71 0.00 0.00 0.00 0.00 1.21 0.51 7.81 131 F 7.84 5.16 0.00 3.20 3.02 0.00 0.00 0.00 0.00 0.00 0.00 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 S 9.17 4.60 0.00 3.85 3.78 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.57 4.39 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.06 3.96 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 0.74 0.00 0.00 0.92 0.00 0.00