NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.1535 8.2629 120.2787 54.6765 33.1094 174.9044 2 K 4.1122 8.4927 130.4885 54.9742 32.1415 172.0883 3 G 3.9561 8.7184 114.0788 43.9737 0.0000 172.0404 4 D 4.6009 8.4452 119.6310 54.1868 41.9821 177.1586 5 T 3.8859 8.8352 122.7388 66.8059 68.4762 176.6211 6 K 3.9080 8.2005 120.9165 58.9145 32.2645 178.9145 7 V 3.9358 8.4495 118.9004 66.3015 31.4377 178.0062 8 I 3.8349 7.9400 119.4209 64.5537 36.8302 178.2253 9 N 4.2579 8.1558 117.2986 56.3390 38.2231 177.0648 10 Y 4.0846 8.1846 118.4538 61.1808 38.0118 178.6610 11 L 3.8352 8.5343 120.1986 57.8984 41.6108 179.4418 12 N 4.3383 8.4239 116.6648 55.9478 38.4335 177.3923 13 K 3.8523 8.1833 121.2453 59.4581 32.2822 178.9171 14 L 3.8460 7.9725 119.5142 57.4956 41.3923 178.9336 15 L 3.9919 7.7420 120.8404 58.2728 41.9666 179.2408 16 G 3.6307 8.1250 105.5188 47.9332 0.0000 175.0920 17 N 4.3213 8.2015 119.0661 56.3081 38.5646 177.3475 18 E 4.1118 8.4205 119.7470 59.3939 29.3593 179.4419 19 L 4.0201 8.2441 119.2861 57.6664 41.5974 179.6435 20 V 3.5820 7.7815 117.8707 66.0920 31.4162 178.0296 21 A 3.8784 7.9971 120.3000 54.9192 18.1972 179.4611 22 I 3.7658 8.2122 118.8937 64.9012 37.2759 178.4220 23 N 4.3955 7.8949 116.9592 56.2816 38.3948 177.4094 24 Q 3.8190 8.2590 121.1173 59.3146 29.1271 177.7474 25 Y 4.3071 8.1806 118.1464 61.1603 37.9327 178.5618 26 F 3.8467 8.4442 121.4511 61.1501 39.5149 176.9623 27 L 3.9976 8.1818 120.0036 58.3967 41.8105 178.4824 28 H 3.7979 8.2493 115.9869 58.6577 28.5560 177.4398 29 A 4.1355 8.2812 122.7543 55.5668 18.1814 180.0651 30 R 3.7965 7.7931 116.2368 59.1779 30.0144 179.2673 31 M 3.4441 8.0334 119.1790 58.1667 31.7741 178.5915 32 F 4.6301 7.7624 118.1485 60.6351 39.0944 177.6370 33 K 3.9364 8.4446 119.5249 59.6027 31.7835 178.2054 34 N 4.2870 8.0137 116.2664 56.4791 38.9062 176.1244 35 W 4.8242 7.8740 117.7769 57.1681 29.4897 177.2344 36 G 3.9854 8.3997 108.1139 45.7656 0.0000 174.1333 37 L 4.7704 8.0523 122.3886 52.7982 40.4086 177.2585 38 K 3.9405 8.0177 121.9753 59.5673 32.4702 178.7019 39 R 3.9231 8.3246 119.1787 59.3235 29.9235 178.6122 40 L 4.0789 7.7763 118.5114 57.4075 41.5693 178.5717 41 N 4.5399 8.3662 117.1839 56.9357 38.9013 176.6378 42 D 4.2943 8.1825 120.0578 57.3812 40.8820 179.0216 43 V 3.3354 7.6763 118.6292 66.0641 31.4262 178.0029 44 E 3.7916 8.3942 118.4336 59.1710 29.1920 178.7091 45 Y 3.8003 8.3531 120.1889 61.1258 38.9180 178.0572 46 H 4.0501 8.2094 116.8055 58.5563 28.7143 177.7258 47 E 3.5334 7.9194 120.9992 58.9437 29.0113 179.1091 48 S 4.1575 7.8024 113.3914 61.5141 62.4219 176.2937 49 I 3.5808 7.5967 122.5353 64.3975 36.7505 178.1241 50 D 4.2273 7.9406 119.7155 57.4525 40.5643 178.7587 51 E 4.1631 8.2781 118.9857 59.3471 29.3388 179.1993 52 M 4.0595 8.1584 119.0327 58.4081 32.0496 178.8869 53 K 3.9351 8.1517 118.5648 59.6986 32.2109 179.0904 54 H 4.0990 8.2498 116.2367 58.7779 28.5723 177.5487 55 A 4.2220 8.4221 122.8873 55.3103 18.1378 178.9482 56 D 4.3093 8.3203 116.6061 57.7621 41.2438 178.7380 57 R 3.8765 8.0043 118.2537 59.4821 29.9634 178.6492 58 Y 4.3382 7.9261 116.2679 61.2078 37.9225 178.5492 59 I 3.7723 8.2005 120.9897 64.7296 37.2727 178.3282 60 E 4.0367 8.4939 119.3932 59.3802 29.2885 179.5165 61 R 4.0376 8.3059 118.7863 59.4971 30.1745 178.5286 62 I 3.7838 8.2270 120.0089 64.5089 37.1510 178.4240 63 L 4.0116 8.0769 119.7171 57.7190 41.2315 179.2187 64 F 4.3584 8.2297 119.5743 61.3506 39.6192 176.4399 65 L 4.6778 7.9395 117.2482 53.7906 41.1626 177.1578 66 E 3.8597 7.9161 117.4789 57.3645 27.1870 174.6899 67 G 3.9169 7.9623 108.1148 44.2236 0.0000 173.7757 68 L 4.5668 7.9987 118.8974 51.9709 42.4264 175.2341 69 P 4.3997 0.0000 0.0000 62.4708 31.7986 175.9729 70 N 4.6990 9.2274 122.3173 52.4353 38.6062 173.9835 71 L 4.6094 8.3014 124.1153 54.5231 42.4474 177.4785 72 Q 4.1589 8.5497 121.9161 57.9529 29.4665 176.1434 73 D 4.7387 7.6990 118.2114 52.3511 39.7647 174.1405 74 L 4.0290 7.7983 122.5422 54.4049 43.0015 177.2376 75 G 3.8966 8.3391 115.3327 44.1850 0.0000 172.3609 76 K 4.0666 8.3194 120.5557 56.1480 32.6199 176.3845 77 L 4.4051 8.2280 125.8373 53.8319 42.8656 176.2662 78 N 4.8158 8.8944 119.9194 51.7905 39.6768 174.6010 79 I 3.7430 8.3212 125.3309 64.1834 37.6084 178.3134 80 G 4.1751 8.4243 102.2257 45.8767 0.0000 172.6119 81 E 4.8259 9.4987 116.2104 54.9915 31.7183 176.1483 82 D 4.9863 7.7662 117.9303 50.3393 44.0218 176.2231 83 V 4.0293 8.3778 119.0461 66.4568 31.4486 177.6481 84 E 3.8596 8.2121 118.3189 59.3501 29.5789 178.1567 85 E 3.9641 8.7117 119.3693 59.4556 29.6073 178.7595 86 M 4.0398 8.3377 118.7383 58.4432 32.0749 178.7422 87 L 4.1796 8.2885 119.2397 57.9810 41.7984 179.7909 88 R 3.9549 8.4113 118.4173 59.2929 29.9664 179.1079 89 S 4.1144 8.3020 112.9389 61.4256 62.3853 175.8266 90 D 4.2539 8.3723 121.7415 57.2950 40.4846 178.6461 91 L 4.0211 8.2185 120.5408 58.1577 42.1528 178.8518 92 A 3.9965 8.1950 120.8102 55.0172 18.2646 179.4154 93 L 3.9104 8.0079 118.8813 58.2913 42.1071 178.9997 94 E 4.0562 8.3861 118.6030 59.5543 29.4552 179.4100 95 L 4.0315 8.3100 119.2541 57.8399 41.7501 179.3574 96 D 4.4640 8.3876 119.0554 57.3795 40.7783 179.0959 97 G 3.6631 8.3808 106.0783 47.6062 0.0000 175.6388 98 A 4.0461 8.3836 123.3281 54.8614 18.4653 179.6489 99 K 3.8524 8.0117 116.9951 59.9534 32.1344 179.2508 100 N 4.4045 8.0642 115.9591 56.1773 38.3498 177.4301 101 L 3.9869 8.1033 120.3989 57.9498 41.8318 179.7252 102 R 3.9006 8.1736 118.0247 59.2030 30.0052 178.7100 103 E 3.8427 8.1040 118.5731 59.3182 29.6410 178.7354 104 A 2.9634 7.8537 120.7859 54.8643 18.3663 179.6799 105 I 3.7577 8.1110 118.8643 64.3518 37.1966 178.9326 106 G 3.5675 7.9769 106.5109 47.8348 0.0000 175.1991 107 Y 3.9603 7.9330 121.9128 60.3819 38.9134 177.6622 108 A 3.7601 8.2666 122.1309 55.2539 18.3959 179.0773 109 D 4.1214 7.9268 116.2233 57.6614 41.1031 178.7434 110 S 4.0424 7.5186 114.3432 60.8948 62.8084 176.0654 111 V 3.7986 6.7291 112.1567 60.5985 31.4520 175.9052 112 H 2.8724 7.0961 114.3423 56.8505 26.8364 176.4145 113 D 4.5117 7.2828 120.8525 53.5348 37.8012 176.0369 114 Y 4.2935 7.3948 121.2129 60.4841 38.4919 177.8617 115 V 3.6583 7.8513 119.1198 66.0545 31.7861 178.1096 116 S 4.2055 8.4432 115.0430 61.4108 62.5563 176.5389 117 R 3.8908 8.0457 121.4807 59.5187 29.9215 177.8817 118 D 4.3350 8.3832 117.9869 57.6116 41.1676 177.8607 119 M 3.9542 8.0778 118.4338 59.1658 32.2229 178.1849 120 M 4.1282 8.2051 118.6530 58.3459 32.0773 178.8176 121 I 3.7446 8.1562 120.4675 64.4246 37.3198 178.3028 122 E 3.9770 8.1301 119.2683 59.4617 29.2257 179.5322 123 I 3.5704 7.7346 119.9363 64.0624 37.0255 178.1433 124 L 3.9315 8.3191 121.7269 58.0987 41.8754 178.9063 125 R 3.8763 8.0971 118.5813 59.6185 30.0370 178.1333 126 D 4.3157 7.9772 118.3475 57.5500 40.7617 178.7557 127 E 3.9711 8.2691 119.0418 59.4604 29.3662 179.2843 128 E 4.1269 8.6973 119.1845 59.1659 29.4778 179.5765 129 G 3.6922 8.1341 105.9402 48.1871 0.0000 175.4344 130 H 4.4373 8.1877 118.7103 58.6468 28.6734 177.8340 131 I 3.8116 8.2443 121.9439 64.5468 37.0209 177.7662 132 D 4.3786 8.4922 119.0196 57.2281 40.9632 178.1892 133 W 4.1709 8.4352 128.6155 60.4976 30.7870 177.9145 134 L 3.7624 8.5124 119.0713 57.8647 41.1304 179.3107 135 E 3.9568 8.4485 118.6978 59.6901 29.3715 179.7045 136 T 3.7942 7.8646 115.5798 66.6698 68.5621 176.6254 137 E 3.8037 7.8054 120.5600 59.3564 28.9189 179.4825 138 L 3.7855 7.7304 118.8677 57.8527 41.6636 179.3532 139 D 4.3609 8.0452 118.8211 57.2932 40.6493 178.8482 140 L 4.0320 7.9317 119.5677 57.5652 41.6492 179.5401 141 I 3.3354 7.3664 119.9431 64.4465 36.7475 178.4924 142 Q 3.9890 7.3470 116.3585 58.6851 28.6304 178.4539 143 K 4.1542 8.0776 119.1702 58.6374 32.2733 178.3064 144 M 4.4264 8.2546 114.6150 53.7093 32.4790 176.9378 145 G 4.1367 7.5417 105.8975 46.0441 0.0000 174.5347 146 L 3.9823 8.2735 121.2960 57.8842 42.1140 179.4216 147 Q 3.9962 8.0158 117.6453 59.1447 28.7683 178.4090 148 N 4.3623 8.1225 116.9780 56.2823 38.4032 176.6298 149 Y 4.0351 8.0170 120.2173 60.8020 39.2038 177.9982 150 L 4.0643 8.4597 120.2904 57.6961 41.5846 178.9923 151 Q 3.9220 8.0671 119.3721 59.3303 28.7491 178.2801 152 A 4.0984 7.7839 119.1283 53.7469 18.6334 178.3164 153 Q 4.2518 7.8065 116.0441 55.8807 29.2300 177.3792 154 I 4.1487 7.3278 112.8821 61.8264 38.2342 176.2802 155 R 4.6014 7.5120 119.2629 53.9656 31.8730 175.9011 156 E 4.1023 8.5443 120.4711 56.7304 29.5770 174.7104 157 E 4.2951 8.0731 118.0985 57.4251 32.5774 176.1557 *158 G 3.7389 7.7918 112.5858 45.7880 0.0000 172.1509 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 M 8.26 4.15 0.00 1.28 1.81 0.00 0.00 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.42 0.00 2 K 8.49 4.11 0.00 1.66 1.61 0.00 1.85 0.00 0.00 1.71 0.00 0.00 2.82 0.00 0.00 2.72 0.00 0.00 0.00 0.00 1.36 1.08 7.81 3 G 8.72 3.96 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 0.00 0.00 0.00 4 D 8.45 4.60 0.00 2.83 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 5 T 8.84 3.89 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 6 K 8.20 3.91 0.00 1.72 1.91 0.00 1.43 0.00 0.00 1.10 0.00 0.00 2.57 0.00 0.00 2.41 0.00 0.00 0.00 0.00 0.78 1.01 7.81 7 V 8.45 3.94 2.35 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 1.08 0.00 0.00 1.15 0.00 0.00 8 I 7.94 3.83 2.02 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 1.55 0.60 0.92 0.00 0.00 9 N 8.16 4.26 0.00 2.68 2.65 0.00 0.00 7.01 7.30 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 10 Y 8.18 4.08 0.00 3.19 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 11 L 8.53 3.84 0.00 1.81 1.79 1.05 0.95 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 12 N 8.42 4.34 0.00 2.80 2.81 0.00 0.00 6.64 8.92 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 13 K 8.18 3.85 0.00 1.82 1.96 0.00 1.58 0.00 0.00 1.67 0.00 0.00 2.96 0.00 0.00 3.22 0.00 0.00 0.00 0.00 1.43 1.45 7.81 14 L 7.97 3.85 0.00 0.93 1.31 0.95 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 15 L 7.74 3.99 0.00 1.65 1.80 1.06 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 16 G 8.13 3.63 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 0.00 0.00 0.00 17 N 8.20 4.32 0.00 2.98 2.93 0.00 0.00 7.08 7.28 0.00 0.00 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 E 8.42 4.11 0.00 2.27 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.77 2.88 0.00 19 L 8.24 4.02 0.00 1.82 1.72 0.93 0.93 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 20 V 7.78 3.58 2.21 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 1.10 0.00 0.00 1.01 0.00 0.00 21 A 8.00 3.88 1.46 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 0.00 0.00 0.00 22 I 8.21 3.77 2.06 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 1.56 1.10 0.91 0.00 0.00 23 N 7.89 4.40 0.00 2.91 2.85 0.00 0.00 6.74 7.58 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 24 Q 8.26 3.82 0.00 2.05 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.79 0.00 0.00 0.00 0.00 0.00 2.17 2.11 0.00 25 Y 8.18 4.31 0.00 3.14 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 26 F 8.44 3.85 0.00 3.32 3.08 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 27 L 8.18 4.00 0.00 1.83 1.66 0.88 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 28 H 8.25 3.80 0.00 3.48 3.09 0.00 5.70 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 29 A 8.28 4.14 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 30 R 7.79 3.80 0.00 1.76 1.91 0.00 3.18 0.00 0.00 3.04 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.83 0.00 31 M 8.03 3.44 0.00 0.85 1.52 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.19 0.00 32 F 7.76 4.63 0.00 3.23 3.18 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 33 K 8.44 3.94 0.00 2.08 1.92 0.00 1.70 0.00 0.00 1.51 0.00 0.00 2.84 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.42 1.42 7.81 34 N 8.01 4.29 0.00 2.67 2.70 0.00 0.00 7.33 8.49 0.00 0.00 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 W 7.87 4.82 0.00 3.73 3.11 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 0.00 36 G 8.40 3.99 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 0.00 0.00 0.00 37 L 8.05 4.77 0.00 1.95 1.63 1.17 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 38 K 8.02 3.94 0.00 1.87 1.86 0.00 1.66 0.00 0.00 1.73 0.00 0.00 2.88 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.54 1.61 7.81 39 R 8.32 3.92 0.00 2.02 2.01 0.00 3.08 0.00 0.00 3.33 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.70 0.00 40 L 7.78 4.08 0.00 1.43 0.77 0.49 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 41 N 8.37 4.54 0.00 3.08 3.01 0.00 0.00 7.18 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 42 D 8.18 4.29 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 43 V 7.68 3.34 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 -0.56 0.00 0.00 0.83 0.00 0.00 44 E 8.39 3.79 0.00 2.37 2.21 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 2.55 3.15 0.00 45 Y 8.35 3.80 0.00 2.87 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 46 H 8.21 4.05 0.00 3.18 3.22 0.00 5.87 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 E 7.92 3.53 0.00 1.16 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 2.02 1.69 0.00 48 S 7.80 4.16 0.00 3.96 3.94 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 49 I 7.60 3.58 1.81 0.00 0.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.18 0.84 0.00 0.00 50 D 7.94 4.23 0.00 2.82 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 51 E 8.28 4.16 0.00 2.21 2.22 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 2.74 2.81 0.00 52 M 8.16 4.06 0.00 2.03 2.23 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.77 2.56 0.00 53 K 8.15 3.94 0.00 1.87 1.81 0.00 1.61 0.00 0.00 1.61 0.00 0.00 2.93 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.42 1.60 7.81 54 H 8.25 4.10 0.00 3.53 3.29 0.00 5.65 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 55 A 8.42 4.22 1.46 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 0.00 0.00 0.00 56 D 8.32 4.31 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 57 R 8.00 3.88 0.00 1.82 1.81 0.00 3.14 0.00 0.00 3.07 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.79 0.00 58 Y 7.93 4.34 0.00 3.22 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 59 I 8.20 3.77 2.05 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.96 0.95 0.00 0.00 60 E 8.49 4.04 0.00 2.02 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 2.35 2.60 0.00 61 R 8.31 4.04 0.00 2.10 2.19 0.00 3.35 0.00 0.00 3.25 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.86 0.00 62 I 8.23 3.78 2.07 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.66 0.98 0.00 0.00 63 L 8.08 4.01 0.00 1.92 1.77 0.96 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 64 F 8.23 4.36 0.00 2.97 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 65 L 7.94 4.68 0.00 1.93 1.62 0.99 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 66 E 7.92 3.86 0.00 2.07 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 2.15 2.22 0.00 67 G 7.96 3.92 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 0.00 0.00 0.00 68 L 8.00 4.57 0.00 1.61 1.61 0.91 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 69 P 0.00 4.40 0.00 2.06 2.02 0.00 3.66 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.11 0.00 70 N 9.23 4.70 0.00 2.61 2.80 0.00 0.00 7.09 7.32 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 71 L 8.30 4.61 0.00 1.63 1.65 0.93 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 72 Q 8.55 4.16 0.00 1.97 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.60 7.18 0.00 0.00 0.00 0.00 0.00 2.33 2.35 0.00 73 D 7.70 4.74 0.00 2.67 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 74 L 7.80 4.03 0.00 1.57 1.56 0.91 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 75 G 8.34 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 76 K 8.32 4.07 0.00 1.70 1.72 0.00 1.65 0.00 0.00 1.70 0.00 0.00 3.06 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.41 1.51 7.81 77 L 8.23 4.41 0.00 1.65 1.53 0.90 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 78 N 8.89 4.82 0.00 2.59 2.69 0.00 0.00 7.19 8.79 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 79 I 8.32 3.74 1.88 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.90 0.92 0.00 0.00 80 G 8.42 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 81 E 9.50 4.83 0.00 2.05 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 2.31 2.26 0.00 82 D 7.77 4.99 0.00 2.85 2.70 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.38 4.03 2.19 0.00 0.00 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 1.22 0.00 0.00 84 E 8.21 3.86 0.00 2.00 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 2.35 2.29 0.00 85 E 8.71 3.96 0.00 2.16 2.13 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 2.35 2.38 0.00 86 M 8.34 4.04 0.00 1.75 2.39 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.75 2.51 0.00 87 L 8.29 4.18 0.00 1.71 1.75 0.85 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 88 R 8.41 3.95 0.00 1.89 1.99 0.00 3.12 0.00 0.00 3.09 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.83 0.00 89 S 8.30 4.11 0.00 3.99 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 D 8.37 4.25 0.00 3.05 2.77 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.22 4.02 0.00 1.83 1.87 0.99 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 92 A 8.20 4.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 L 8.01 3.91 0.00 1.84 1.79 0.91 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 94 E 8.39 4.06 0.00 2.30 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 2.64 2.74 0.00 95 L 8.31 4.03 0.00 1.84 1.74 0.95 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 96 D 8.39 4.46 0.00 2.87 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 97 G 8.38 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 98 A 8.38 4.05 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 99 K 8.01 3.85 0.00 2.06 1.91 0.00 1.67 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.48 1.68 7.81 100 N 8.06 4.40 0.00 2.99 2.92 0.00 0.00 7.09 6.46 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 0.00 101 L 8.10 3.99 0.00 1.89 1.74 0.98 0.97 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 0.00 102 R 8.17 3.90 0.00 2.00 1.99 0.00 3.14 0.00 0.00 3.10 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.87 0.00 103 E 8.10 3.84 0.00 2.08 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 2.29 2.37 0.00 104 A 7.85 2.96 1.11 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 0.00 0.00 0.00 105 I 8.11 3.76 1.90 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.92 0.92 0.00 0.00 106 G 7.98 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 Y 7.93 3.96 0.00 3.07 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 0.00 108 A 8.27 3.76 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 0.00 109 D 7.93 4.12 0.00 2.88 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 0.00 110 S 7.52 4.04 0.00 3.74 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 0.00 111 V 6.73 3.80 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 0.30 0.00 0.00 0.51 0.00 0.00 112 H 7.10 2.87 0.00 3.19 3.26 0.00 5.65 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 D 7.28 4.51 0.00 2.62 2.44 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 0.00 114 Y 7.39 4.29 0.00 3.09 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 0.00 115 V 7.85 3.66 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 1.00 0.00 0.00 116 S 8.44 4.21 0.00 4.00 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 0.00 117 R 8.05 3.89 0.00 1.91 2.16 0.00 3.34 0.00 0.00 3.23 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.68 0.00 118 D 8.38 4.34 0.00 2.98 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 0.00 119 M 8.08 3.95 0.00 2.29 2.03 0.00 0.00 0.00 0.00 0.00 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.43 0.00 120 M 8.21 4.13 0.00 2.17 2.25 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.90 2.82 0.00 121 I 8.16 3.74 2.00 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.90 0.92 0.00 0.00 122 E 8.13 3.98 0.00 2.18 1.97 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 2.32 2.54 0.00 123 I 7.73 3.57 1.90 0.00 0.00 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.56 0.68 0.00 0.00 124 L 8.32 3.93 0.00 1.82 1.85 0.94 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 125 R 8.10 3.88 0.00 1.92 2.10 0.00 3.15 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.68 0.00 126 D 7.98 4.32 0.00 2.96 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 0.00 127 E 8.27 3.97 0.00 2.13 2.19 0.00 0.00 0.00 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 2.55 0.00 128 E 8.70 4.13 0.00 2.14 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 2.36 2.50 0.00 129 G 8.13 3.69 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 0.00 0.00 0.00 0.00 130 H 8.19 4.44 0.00 3.54 3.55 0.00 5.65 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 0.00 131 I 8.24 3.81 2.12 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 1.50 0.90 0.97 0.00 0.00 132 D 8.49 4.38 0.00 2.96 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 0.00 133 W 8.44 4.17 0.00 3.51 3.47 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.51 3.76 0.00 2.01 1.78 1.24 1.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 0.00 0.00 0.00 0.00 0.00 0.00 135 E 8.45 3.96 0.00 2.15 1.99 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 2.34 2.58 0.00 136 T 7.86 3.79 4.25 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 1.17 0.00 0.00 137 E 7.81 3.80 0.00 1.51 1.68 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 1.47 1.47 0.00 138 L 7.73 3.79 0.00 1.74 1.61 0.93 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 139 D 8.05 4.36 0.00 2.80 2.67 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 0.00 140 L 7.93 4.03 0.00 1.90 1.84 0.95 0.69 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 0.00 141 I 7.37 3.34 1.68 0.00 0.00 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.21 0.04 0.67 0.00 0.00 142 Q 7.35 3.99 0.00 2.14 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.99 0.00 0.00 0.00 0.00 0.00 2.47 2.48 0.00 143 K 8.08 4.15 0.00 1.72 1.86 0.00 1.66 0.00 0.00 1.75 0.00 0.00 3.06 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.46 1.55 7.81 144 M 8.25 4.43 0.00 2.18 2.19 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.88 0.00 145 G 7.54 4.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 146 L 8.27 3.98 0.00 1.73 1.65 0.93 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 147 Q 8.02 4.00 0.00 2.14 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.68 0.00 0.00 0.00 0.00 0.00 2.44 2.44 0.00 148 N 8.12 4.36 0.00 2.93 2.88 0.00 0.00 6.71 7.48 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 0.00 149 Y 8.02 4.04 0.00 2.97 3.11 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 0.00 150 L 8.46 4.06 0.00 1.70 1.69 0.88 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 151 Q 8.07 3.92 0.00 2.20 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.85 0.00 0.00 0.00 0.00 0.00 2.33 2.38 0.00 152 A 7.78 4.10 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 0.00 153 Q 7.81 4.25 0.00 2.04 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.77 0.00 0.00 0.00 0.00 0.00 2.05 2.13 0.00 154 I 7.33 4.15 1.87 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.42 0.91 0.00 0.00 155 R 7.51 4.60 0.00 1.79 1.86 0.00 3.20 0.00 0.00 3.21 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.61 0.00 156 E 8.54 4.10 0.00 1.94 1.87 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 2.30 2.29 0.00 157 E 8.07 4.30 0.00 1.89 1.83 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 2.18 2.26 0.00 *158 G 7.79 3.74 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 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.