NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -3 G 3.9123 8.3544 109.7369 45.1850 0.0000 172.8259 -2 S 4.3391 8.0881 112.5753 56.7167 62.9550 171.8744 -1 N 4.5396 9.8358 126.5636 53.6877 39.4594 174.9632 -2 M 4.3491 8.0581 116.4753 53.8167 32.0550 173.5744 -1 K 4.1196 9.7258 128.2636 56.7877 33.6594 176.3632 3 A 5.1336 9.2701 124.5150 50.7817 23.3532 175.1879 4 V 5.0654 8.9707 117.7146 60.6156 35.7252 173.9122 5 C 5.0469 9.3904 122.6911 58.1580 35.2730 172.6222 6 V 4.5442 8.5559 126.6956 62.0219 32.9327 174.0248 7 M 5.2184 9.1474 128.8189 53.9994 34.3492 175.4179 8 T 4.9161 8.6965 112.8642 60.5913 73.3561 172.8549 9 G 4.3686 8.0001 106.6250 46.7504 0.0000 174.0502 10 T 4.4910 8.7742 112.6302 61.5071 68.9523 174.2072 11 A 4.4806 8.1749 121.8655 52.3978 19.5517 178.3150 12 G 3.9082 8.2682 104.9754 45.7185 0.0000 172.9316 13 V 4.8086 7.4401 118.9110 60.9129 33.5146 174.8825 14 K 4.9262 8.5388 124.9109 56.0154 36.7313 174.8235 15 G 3.7323 8.4784 107.1509 46.0592 0.0000 172.2583 16 V 4.8795 7.7568 118.9094 60.9310 35.1139 174.0825 17 V 4.7114 9.0123 127.4040 60.9409 34.4189 174.2608 18 K 5.1167 8.8778 126.3483 54.6210 35.8374 175.1227 19 F 5.6775 9.3420 121.7118 56.0060 43.1852 174.0433 20 T 5.7620 9.0573 111.9936 60.2490 72.3355 172.7403 21 Q 4.6631 8.4963 124.1110 55.0792 31.4010 174.2785 22 E 4.1289 9.3137 126.8970 59.0411 29.7155 177.0814 23 T 4.7041 7.4744 107.2128 59.1226 71.7556 173.9173 24 D 4.6268 8.8189 122.2000 57.2666 41.0286 177.1361 25 N 4.8975 8.0294 112.9550 52.9684 39.6102 173.9614 26 G 4.0650 8.0529 106.3450 43.0417 0.0000 171.8492 27 P 4.6580 0.0000 0.0000 62.9012 32.2465 175.8915 28 V 4.7040 8.9440 121.6149 61.6477 34.2072 174.0054 29 H 5.1549 9.4397 125.7212 54.9387 30.4609 174.2472 30 V 4.8677 9.2744 123.5914 61.3157 34.4390 173.7197 31 H 5.4785 9.0680 126.5799 54.4973 32.9901 171.7738 32 A 5.0323 9.1467 126.7709 50.1632 22.9825 174.3856 33 E 5.0176 8.2926 118.8184 54.6696 33.8763 175.0087 34 F 5.4555 9.1620 121.3386 55.9993 44.1561 173.6263 35 S 4.9168 8.9794 113.7992 57.9386 66.6009 175.1038 36 G 4.1585 8.9316 107.9481 46.6592 0.0000 173.4971 37 L 4.2635 7.7212 120.0066 53.1580 42.6399 176.4054 38 K 4.2269 8.3799 123.2409 55.7357 32.8773 176.5570 39 A 4.0866 8.5202 128.3638 53.4444 18.9547 175.9965 40 G 3.7201 8.0691 106.9180 43.8717 0.0000 172.5235 41 K 4.9213 8.2641 118.3932 55.7704 33.7123 176.4405 42 H 4.9572 9.1572 120.8467 53.5389 32.4951 173.3655 43 G 4.0966 8.9819 111.1116 46.9028 0.0000 172.2374 44 F 5.5524 9.0005 124.8988 56.9550 42.5699 173.0654 45 H 5.0935 8.8826 122.1714 54.2780 34.1038 172.5415 46 V 4.3486 8.6377 120.8805 62.6306 32.7486 174.8952 47 H 5.1831 9.4817 125.7937 54.2082 30.6715 176.0154 48 E 3.7659 8.8407 119.9507 58.9207 29.8339 177.2764 49 F 5.0188 7.9416 119.0638 54.6731 41.6491 176.7466 50 G 4.1854 8.5216 111.2778 45.4198 0.0000 173.4435 51 D 4.8767 8.1825 119.4343 52.5704 42.5342 175.2820 52 T 5.0498 8.5482 117.0308 60.6739 69.2564 175.5370 53 T 3.9729 8.5977 115.5670 64.6584 69.4399 174.0630 54 N 4.9453 7.4974 120.5525 52.2342 39.4704 174.2223 55 G 3.7846 7.4652 116.9037 47.3075 0.0000 174.5201 56 C 4.8840 8.5452 121.2750 56.8887 35.7955 175.5312 57 T 3.8631 7.8344 117.7721 66.6037 67.7706 176.0078 58 S 4.4644 7.9849 113.9572 59.8499 63.2055 175.2686 59 A 4.6086 7.5647 125.0801 53.5543 18.4823 178.7297 60 G 3.9930 8.1688 105.3914 44.9231 0.0000 172.2772 61 A 4.5572 8.3864 122.3474 50.6414 21.6043 176.8950 62 H 4.4367 8.3852 115.1738 55.8306 29.6513 175.9306 63 F 4.2810 9.0902 125.8243 58.0285 40.2272 175.0452 64 N 5.0814 7.8106 125.4152 51.6316 38.7900 173.0933 65 P 4.1398 0.0000 0.0000 65.3179 32.1092 177.9983 66 T 4.0719 7.5588 106.9451 60.8908 69.6584 174.2231 67 K 3.6991 7.5314 120.9600 58.3299 29.8483 173.3083 68 Q 4.6505 8.1949 115.7494 53.7285 32.2809 175.6849 69 E 4.3752 8.1769 117.9973 55.9762 31.1306 176.1175 70 H 4.0172 8.6392 121.9125 56.9198 30.6268 174.9057 71 G 4.2657 8.0990 109.0654 45.6436 0.0000 172.1685 72 A 4.5174 9.1623 122.7636 50.6558 19.4687 177.0738 73 P 4.2555 0.0000 0.0000 65.7963 31.4517 177.7817 74 E 4.2293 8.0295 114.8478 57.5076 29.9265 176.6346 75 D 4.6563 7.7971 119.4671 53.5933 41.6313 176.8130 76 S 4.1341 8.6244 116.7468 60.6549 63.6142 174.2860 77 I 4.2075 7.4111 122.9288 59.8963 37.1780 174.5623 78 R 4.7788 7.6601 119.3076 56.2862 31.8164 174.2085 79 H 4.6525 8.9067 116.6298 55.1939 29.4745 177.1292 80 V 3.5116 8.3138 122.4760 66.2922 31.5131 177.2444 81 G 3.8672 8.2187 104.9148 47.3426 0.0000 173.1943 82 D 5.0572 8.1119 121.5053 53.8686 40.8441 175.9166 83 L 4.6460 8.3128 123.0624 53.3740 42.7613 178.8392 84 G 4.0341 8.4881 108.3171 46.8277 0.0000 173.6776 85 N 5.6052 8.8448 120.7833 51.3104 42.0163 173.4887 86 V 4.3204 8.7618 122.7222 61.6032 33.4655 174.6303 87 V 4.6409 8.5166 127.7710 61.5564 32.6898 174.4354 88 A 4.8346 9.0011 130.8999 50.4152 21.4149 177.3225 89 G 3.9904 8.9139 111.5068 44.1619 0.0000 174.2979 90 A 3.9957 8.5186 121.4312 55.0420 18.2475 178.3423 91 D 4.4731 8.0188 112.7551 53.9551 40.1438 177.3303 92 G 4.4378 8.4546 109.7557 45.3030 0.0000 172.9766 93 N 5.4318 8.1786 117.1658 52.6201 40.6943 174.0843 94 A 5.0918 8.8067 121.8137 50.5859 23.2562 175.3221 95 V 4.8255 8.4330 119.8410 61.2237 34.5240 174.0881 96 Y 4.8370 9.1060 128.4410 55.9143 42.0069 173.7369 97 N 5.5875 8.0574 121.9531 51.7628 42.7130 173.3847 98 A 4.5171 8.7047 122.5563 51.3210 23.4536 174.9960 99 T 4.9044 8.4391 116.0511 61.7632 71.0351 173.3159 100 D 5.0497 9.3257 126.1811 52.5926 44.2077 176.3667 101 K 4.5220 8.8980 122.6490 56.7683 33.3023 177.4684 102 L 4.3871 8.1531 118.5188 56.5781 42.4334 177.4045 103 I 4.0708 7.9075 110.3548 61.0590 38.3395 174.5260 104 S 4.5998 8.1891 114.2838 57.7172 65.2518 174.0453 105 L 4.6496 8.3428 120.5646 54.4226 41.8637 175.9929 106 N 4.9186 7.9348 115.4495 52.6429 43.2651 176.0525 107 G 3.9278 8.5581 108.2342 45.0338 0.0000 174.2497 108 S 4.2400 8.7128 112.2307 61.3371 63.1361 174.5442 109 H 4.9519 8.1390 115.8247 55.4499 28.7680 175.0692 110 S 4.2883 7.8349 115.5657 58.7047 62.7204 173.9594 111 I 3.9145 8.2140 119.1628 60.2898 38.0234 175.5344 112 I 3.8020 7.1777 123.4391 62.9880 37.4691 176.5248 113 G 3.8673 9.3284 113.7260 45.3531 0.0000 172.9382 114 R 5.0619 7.5183 119.4812 54.4278 33.6101 174.4707 115 S 5.2203 8.2149 112.8633 57.4107 65.6624 173.5568 116 M 4.8966 8.7532 126.0611 54.2561 34.0059 175.3128 117 V 4.8866 8.7969 122.3361 61.0785 35.3533 173.7413 118 I 5.0058 8.5598 127.3560 59.6845 40.2695 174.2985 119 H 5.4036 8.9870 126.7303 54.1496 30.4228 175.0751 120 E 4.1937 9.1840 119.1057 58.9959 30.1825 176.2793 121 N 5.0658 8.3938 116.5024 50.3932 42.7853 173.7168 122 E 4.3769 8.5150 120.5414 56.0916 30.2445 175.4402 123 D 4.6792 9.3272 126.9033 53.9543 41.5890 175.6651 124 D 4.5797 9.3153 125.7754 53.2422 39.4619 176.7487 125 L 3.6842 9.9351 119.3304 56.1198 39.6501 176.0833 126 G 4.4424 8.5955 104.8628 46.1609 0.0000 175.0807 127 R 4.4777 7.9661 117.7215 55.7994 31.1443 178.0737 128 G 3.4845 7.8059 106.1024 45.8342 0.0000 174.4156 129 G 3.8156 7.5416 107.2144 46.6142 0.0000 173.1935 130 H 4.8963 8.0092 116.5093 53.1314 31.2598 175.3638 131 E 3.8856 8.9634 121.8878 59.5536 29.3728 177.9944 132 L 4.4544 7.7729 115.3677 54.6364 42.7367 178.2373 133 S 4.1935 8.1405 117.0388 61.8999 62.9504 176.3161 134 K 4.3426 8.0326 116.6551 56.7118 32.1298 177.5809 135 V 4.0451 7.6600 117.4273 64.2168 33.0102 176.3091 136 T 4.0471 8.0701 105.2908 60.2351 69.8267 174.7303 137 G 3.7647 8.0140 110.4923 45.0613 0.0000 173.1074 138 N 4.2103 7.8074 115.7324 54.4831 37.8162 174.5586 139 A 4.3227 7.9542 117.8558 51.8413 19.6200 179.7165 140 G 4.0115 7.9610 104.0167 44.7878 0.0000 173.3212 141 G 3.8752 9.4182 108.4691 46.6347 0.0000 173.0468 142 R 4.6621 8.2915 119.0225 54.6484 30.7945 176.7006 143 L 4.2815 8.9345 125.6669 57.4147 42.9337 177.2111 144 A 5.1040 7.7165 118.0956 51.2460 22.9304 173.8287 145 C 5.6291 8.3727 113.3106 55.7682 45.8279 172.7650 146 G 4.7990 8.0938 103.3379 46.2307 0.0000 173.0581 147 V 4.5017 8.4626 121.3524 62.3898 32.9221 175.5151 148 V 4.2147 8.8311 127.2997 62.0842 32.4787 175.1499 149 G 4.5196 8.9598 115.4612 43.9967 0.0000 172.1341 150 L 4.5752 8.4995 120.7519 54.5629 42.2149 176.5223 151 A 4.9054 8.4381 123.9599 49.5391 22.2313 175.9407 152 A 4.0280 8.4539 122.5184 51.8533 18.9809 177.9499 153 E 4.1504 8.9388 121.7316 56.9551 29.4955 177.0894 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 -3 G 8.35 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 -2 S 8.09 4.34 0.00 3.95 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 -1 N 9.84 4.54 0.00 2.94 2.74 0.00 0.00 6.96 7.26 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 -2 M 8.06 4.35 0.00 2.17 1.88 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 2.49 0.00 -1 K 9.73 4.12 0.00 1.95 1.74 0.00 0.61 0.00 0.00 1.70 0.00 0.00 2.13 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.47 1.55 7.81 3 A 9.27 5.13 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 4 V 8.97 5.07 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 0.85 0.00 0.00 0.96 0.00 0.00 5 C 9.39 5.05 0.00 3.18 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 6 V 8.56 4.54 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 0.93 0.00 0.00 7 M 9.15 5.22 0.00 2.12 2.08 0.00 0.00 0.00 0.00 0.00 2.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.60 0.00 8 T 8.70 4.92 4.26 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 1.22 0.00 0.00 9 G 8.00 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 0.00 0.00 0.00 0.00 10 T 8.77 4.49 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 1.22 0.00 0.00 11 A 8.17 4.48 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 12 G 8.27 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 13 V 7.44 4.81 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 0.89 0.00 0.00 0.92 0.00 0.00 14 K 8.54 4.93 0.00 1.82 1.85 0.00 1.40 0.00 0.00 1.65 0.00 0.00 2.84 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.33 1.39 7.81 15 G 8.48 3.73 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 0.00 0.00 0.00 16 V 7.76 4.88 1.94 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 0.92 0.00 0.00 0.85 0.00 0.00 17 V 9.01 4.71 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 0.44 0.00 0.00 1.03 0.00 0.00 18 K 8.88 5.12 0.00 1.62 1.63 0.00 1.64 0.00 0.00 1.64 0.00 0.00 2.84 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.33 1.33 7.81 19 F 9.34 5.68 0.00 2.97 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 20 T 9.06 5.76 4.26 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 1.25 0.00 0.00 21 Q 8.50 4.66 0.00 2.09 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.67 7.10 0.00 0.00 0.00 0.00 0.00 2.44 2.61 0.00 22 E 9.31 4.13 0.00 2.02 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 2.31 2.25 0.00 23 T 7.47 4.70 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 1.22 0.00 0.00 24 D 8.82 4.63 0.00 2.64 2.78 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 25 N 8.03 4.90 0.00 2.67 2.72 0.00 0.00 6.94 7.98 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 26 G 8.05 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 27 P 0.00 4.66 0.00 2.10 2.09 0.00 3.76 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.00 0.00 28 V 8.94 4.70 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 1.26 0.00 0.00 1.03 0.00 0.00 29 H 9.44 5.15 0.00 3.19 3.28 0.00 5.81 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 V 9.27 4.87 2.39 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 1.03 0.00 0.00 1.24 0.00 0.00 31 H 9.07 5.48 0.00 3.26 3.06 0.00 5.77 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 32 A 9.15 5.03 0.98 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 0.00 0.00 33 E 8.29 5.02 0.00 1.71 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 2.14 2.09 0.00 34 F 9.16 5.46 0.00 2.81 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 35 S 8.98 4.92 0.00 3.86 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 36 G 8.93 4.16 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 L 7.72 4.26 0.00 1.82 1.42 0.62 0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 38 K 8.38 4.23 0.00 1.73 1.77 0.00 1.80 0.00 0.00 1.72 0.00 0.00 3.03 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.43 1.45 7.81 39 A 8.52 4.09 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 40 G 8.07 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 41 K 8.26 4.92 0.00 1.62 1.73 0.00 1.87 0.00 0.00 1.72 0.00 0.00 2.97 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.41 1.45 7.81 42 H 9.16 4.96 0.00 2.83 3.18 0.00 5.63 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 43 G 8.98 4.10 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 0.00 0.00 0.00 44 F 9.00 5.55 0.00 2.70 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 45 H 8.88 5.09 0.00 3.03 3.09 0.00 5.85 0.00 0.00 0.00 0.00 6.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 V 8.64 4.35 2.12 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 0.95 0.00 0.00 0.86 0.00 0.00 47 H 9.48 5.18 0.00 3.07 3.34 0.00 5.69 0.00 0.00 0.00 0.00 6.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 E 8.84 3.77 0.00 1.45 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 1.99 1.47 0.00 49 F 7.94 5.02 0.00 3.20 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 50 G 8.52 4.19 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 0.00 0.00 0.00 0.00 0.00 0.00 51 D 8.18 4.88 0.00 2.65 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 52 T 8.55 5.05 4.26 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 1.23 0.00 0.00 53 T 8.60 3.97 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 1.22 0.00 0.00 54 N 7.50 4.95 0.00 2.90 2.72 0.00 0.00 6.96 7.92 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 55 G 7.47 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 0.00 0.00 0.00 56 C 8.55 4.88 0.00 2.96 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 57 T 7.83 3.86 4.39 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 1.24 0.00 0.00 58 S 7.98 4.46 0.00 3.95 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 59 A 7.56 4.61 1.43 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 60 G 8.17 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 61 A 8.39 4.56 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 62 H 8.39 4.44 0.00 2.75 3.10 0.00 5.73 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 63 F 9.09 4.28 0.00 2.90 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 64 N 7.81 5.08 0.00 2.63 2.44 0.00 0.00 6.94 7.71 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 65 P 0.00 4.14 0.00 2.00 1.84 0.00 2.93 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.98 0.00 66 T 7.56 4.07 4.19 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 0.00 0.00 1.12 0.00 0.00 67 K 7.53 3.70 0.00 1.88 1.85 0.00 1.63 0.00 0.00 1.79 0.00 0.00 2.95 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.49 1.50 7.81 68 Q 8.19 4.65 0.00 2.13 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.33 6.96 0.00 0.00 0.00 0.00 0.00 2.25 2.43 0.00 69 E 8.18 4.38 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 2.38 2.29 0.00 70 H 8.64 4.02 0.00 3.21 3.14 0.00 5.98 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 71 G 8.10 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 9.16 4.52 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 73 P 0.00 4.26 0.00 2.11 2.22 0.00 3.73 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.35 0.00 74 E 8.03 4.23 0.00 1.94 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 2.31 2.40 0.00 75 D 7.80 4.66 0.00 2.82 2.62 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.62 4.13 0.00 3.96 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 77 I 7.41 4.21 1.84 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.16 0.91 0.00 0.00 78 R 7.66 4.78 0.00 1.79 1.89 0.00 2.89 0.00 0.00 2.25 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.52 0.00 79 H 8.91 4.65 0.00 3.51 3.39 0.00 5.65 0.00 0.00 0.00 0.00 6.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 V 8.31 3.51 1.65 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 0.77 0.00 0.00 0.59 0.00 0.00 81 G 8.22 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 82 D 8.11 5.06 0.00 2.68 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 83 L 8.31 4.65 0.00 1.44 1.81 0.79 1.48 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 84 G 8.49 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 85 N 8.84 5.61 0.00 2.65 2.74 0.00 0.00 6.61 7.68 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 86 V 8.76 4.32 1.70 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 0.77 0.00 0.00 0.04 0.00 0.00 87 V 8.52 4.64 2.11 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 0.85 0.00 0.00 0.96 0.00 0.00 88 A 9.00 4.83 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.91 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 90 A 8.52 4.00 1.30 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 0.00 0.00 91 D 8.02 4.47 0.00 2.80 2.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 G 8.45 4.44 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 93 N 8.18 5.43 0.00 2.92 2.75 0.00 0.00 6.55 7.94 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 94 A 8.81 5.09 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 95 V 8.43 4.83 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 0.84 0.00 0.00 0.94 0.00 0.00 96 Y 9.11 4.84 0.00 2.94 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 97 N 8.06 5.59 0.00 2.48 2.59 0.00 0.00 6.79 7.35 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 98 A 8.70 4.52 1.13 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 0.00 0.00 0.00 99 T 8.44 4.90 4.19 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 0.00 0.00 1.10 0.00 0.00 100 D 9.33 5.05 0.00 2.83 2.55 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.90 4.52 0.00 1.80 1.85 0.00 1.80 0.00 0.00 1.72 0.00 0.00 2.93 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.39 1.45 7.81 102 L 8.15 4.39 0.00 1.79 1.72 0.91 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 103 I 7.91 4.07 1.89 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.60 1.05 0.00 0.00 104 S 8.19 4.60 0.00 3.87 3.81 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 0.00 105 L 8.34 4.65 0.00 1.77 1.62 0.97 0.73 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 0.00 106 N 7.93 4.92 0.00 2.87 2.71 0.00 0.00 6.91 7.14 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 0.00 107 G 8.56 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 0.00 0.00 0.00 108 S 8.71 4.24 0.00 4.08 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 0.00 109 H 8.14 4.95 0.00 3.14 3.59 0.00 5.90 0.00 0.00 0.00 0.00 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 S 7.83 4.29 0.00 3.91 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 I 8.21 3.91 1.58 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.23 0.87 0.00 0.00 112 I 7.18 3.80 1.80 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.75 0.86 0.00 0.00 113 G 9.33 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 0.00 114 R 7.52 5.06 0.00 1.61 1.87 0.00 2.21 0.00 0.00 2.25 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.22 0.00 115 S 8.21 5.22 0.00 4.00 3.70 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 0.00 116 M 8.75 4.90 0.00 2.16 2.12 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.89 2.78 0.00 117 V 8.80 4.89 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 0.69 0.00 0.00 0.69 0.00 0.00 118 I 8.56 5.01 1.58 0.00 0.00 -0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 1.36 0.80 0.00 0.00 119 H 8.99 5.40 0.00 3.07 3.46 0.00 5.71 0.00 0.00 0.00 0.00 6.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 E 9.18 4.19 0.00 1.98 2.11 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 2.34 2.32 0.00 121 N 8.39 5.07 0.00 2.66 2.73 0.00 0.00 6.65 7.86 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 0.00 122 E 8.52 4.38 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 2.30 2.42 0.00 123 D 9.33 4.68 0.00 2.73 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 0.00 124 D 9.32 4.58 0.00 2.92 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 0.00 125 L 9.94 3.68 0.00 1.86 1.79 0.95 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 126 G 8.60 4.44 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 0.00 127 R 7.97 4.48 0.00 2.02 1.94 0.00 3.14 0.00 0.00 3.18 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.69 0.00 128 G 7.81 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 0.00 0.00 0.00 129 G 7.54 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.01 4.90 0.00 3.18 3.18 0.00 5.65 0.00 0.00 0.00 0.00 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 131 E 8.96 3.89 0.00 1.92 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 2.31 2.43 0.00 132 L 7.77 4.45 0.00 1.72 1.62 0.91 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 133 S 8.14 4.19 0.00 3.98 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 0.00 134 K 8.03 4.34 0.00 1.78 1.81 0.00 1.73 0.00 0.00 1.83 0.00 0.00 2.93 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.51 1.36 7.81 135 V 7.66 4.05 2.12 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 0.80 0.00 0.00 0.91 0.00 0.00 136 T 8.07 4.05 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 1.10 0.00 0.00 137 G 8.01 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 0.00 138 N 7.81 4.21 0.00 2.87 2.87 0.00 0.00 7.07 8.05 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 0.00 139 A 7.95 4.32 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 0.00 140 G 7.96 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 0.00 0.00 0.00 141 G 9.42 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 0.00 142 R 8.29 4.66 0.00 1.67 1.81 0.00 3.21 0.00 0.00 3.14 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.65 0.00 143 L 8.93 4.28 0.00 1.63 1.66 0.87 0.59 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 0.00 144 A 7.72 5.10 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 0.00 145 C 8.37 5.63 0.00 3.06 3.15 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 0.00 0.00 0.00 146 G 8.09 4.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 147 V 8.46 4.50 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 0.76 0.00 0.00 1.01 0.00 0.00 148 V 8.83 4.21 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 0.72 0.00 0.00 0.85 0.00 0.00 149 G 8.96 4.52 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 0.00 150 L 8.50 4.58 0.00 1.55 1.62 0.91 0.78 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 0.00 151 A 8.44 4.91 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 0.00 152 A 8.45 4.03 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 0.00 153 E 8.94 4.15 0.00 1.97 1.91 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 2.33 2.33 0.00