NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -1 E 4.3217 8.4444 121.4722 56.2264 30.8471 174.4596 0 F 4.1748 9.0216 118.6036 60.5589 39.7270 174.7211 1 M 4.7875 8.5454 119.8113 54.3370 36.6897 172.4451 2 I 4.7368 9.2270 126.5487 59.5621 40.4642 174.3726 3 I 4.5768 8.7509 127.6840 59.9478 39.4593 174.1272 4 Y 4.5204 8.7044 125.0125 56.4643 39.4526 175.0525 5 R 5.0907 8.8044 123.6076 53.9118 34.0233 175.0054 6 D 4.8592 9.0225 122.6040 54.4868 41.5473 177.2608 7 L 4.0127 9.2188 126.9403 57.7586 41.8136 178.7312 8 I 4.0391 8.6361 119.6674 63.4314 37.6548 177.3582 9 S 4.2773 8.2144 112.1522 59.0379 63.5024 174.6514 10 H 4.3049 8.1342 116.5474 56.1557 26.3868 174.5272 11 D 4.6788 7.6762 120.4981 53.9347 42.0393 175.3441 12 E 4.2704 8.8113 123.5189 56.9896 29.6612 175.9021 13 M 4.6248 8.7574 127.3100 57.0951 33.8960 175.6541 14 F 4.2854 6.8290 111.2410 56.4895 41.1554 172.1630 15 S 5.2509 8.6653 112.7163 56.4127 67.0736 173.3318 16 D 4.8774 8.6258 117.3417 53.8614 39.3482 177.4928 17 I 3.7942 7.1023 113.5359 62.6825 38.1183 174.9435 18 Y 4.5830 7.1926 118.3914 56.0725 40.1748 174.3591 19 K 4.3564 8.4306 122.3059 56.1797 33.3638 175.3395 20 I 5.0386 8.4006 127.5686 59.4802 40.2870 174.8621 21 R 4.6391 8.9044 125.7297 54.5466 33.8334 173.7218 22 E 4.8579 8.7958 125.6251 55.8250 31.4101 175.5153 23 I 4.9434 8.6690 117.4285 58.3031 41.9551 174.5144 24 A 3.7847 9.0061 121.1553 54.1193 15.7249 176.2625 25 D 4.4982 9.1190 111.7951 55.6047 40.0649 174.0763 26 G 4.3113 8.5318 103.7713 44.8153 0.0000 174.8326 27 L 4.2904 8.1604 122.7567 57.4065 42.5287 176.1070 28 C 5.5029 8.0607 114.1824 57.8132 32.7238 172.9595 29 L 5.0757 8.9854 120.7436 53.0675 44.1106 175.1649 30 E 4.8750 9.5541 125.9182 54.6345 31.5524 174.4814 31 V 4.5369 9.0120 128.1975 61.0504 33.6408 173.8553 32 E 4.5238 8.7433 129.9331 55.4842 30.5418 175.5247 33 G 4.5260 8.4414 115.4894 44.9883 0.0000 172.0784 34 K 4.7283 8.8819 117.0905 55.6732 35.5936 175.3815 35 M 4.7276 8.4123 120.3344 56.0624 32.4702 177.5230 36 V 4.3175 8.5521 116.6443 63.3592 34.6616 173.8003 37 S 3.8263 6.9576 114.1119 57.4723 62.1514 173.3700 38 R 4.4888 8.4411 124.5958 56.0026 32.6169 175.6570 *69 G 3.8403 7.5623 106.3046 45.2997 0.0000 171.3394 70 V 4.0386 8.0971 119.3292 62.1590 32.8840 177.2757 71 D 4.3557 8.6023 127.0809 56.8492 39.2422 178.9218 72 I 3.5133 7.5033 120.7754 63.8961 37.0507 178.3123 73 V 3.4263 7.4206 118.2105 66.3263 31.2093 177.8506 74 M 4.0570 8.1227 118.4343 58.5123 31.5865 178.5167 75 N 4.3058 8.7278 115.9902 55.6411 38.6769 175.6646 76 H 4.8139 7.5954 113.8400 54.9007 29.6419 173.6936 77 H 4.1349 7.5470 114.9380 56.9039 26.5881 175.0797 78 L 4.5958 8.0463 117.3596 54.8857 42.9930 177.7646 79 Q 4.8002 9.1928 121.0703 54.0447 31.3059 174.8412 80 E 3.6416 8.8517 125.3770 56.2262 30.5828 175.1877 81 T 4.7291 8.5276 120.4064 60.4152 71.1102 172.3665 82 S 4.8182 7.9397 115.2610 56.7215 66.1072 173.1761 83 F 4.8971 8.2324 118.7183 55.3005 42.9350 175.2642 84 T 4.4797 8.4757 114.6850 60.9647 71.3257 175.8447 85 K 2.9202 8.3931 122.6310 59.5307 32.1624 178.9487 86 E 3.9662 8.0581 118.2096 59.0482 29.4764 178.9179 87 A 4.1003 8.2675 121.1598 55.1837 18.3710 179.0955 88 Y 3.5307 8.2427 118.2135 60.6009 38.8648 178.2101 89 K 3.7563 8.0961 119.4689 59.1701 31.7388 179.2726 90 K 3.8524 7.8272 119.3536 59.6118 32.1213 178.2205 91 Y 4.0297 7.9487 119.7923 60.8109 38.6240 177.9926 92 I 3.0059 7.5438 120.0042 63.3537 37.8020 177.9609 93 K 3.8300 7.6237 119.5918 59.8619 32.3770 178.7788 94 D 4.2143 7.6249 118.8690 56.9351 40.8736 177.5826 95 Y 3.9075 7.5035 121.6294 60.3947 38.7172 177.8978 96 M 4.0496 8.1252 119.8171 58.4157 32.0645 178.9812 97 K 3.9625 7.6861 118.9224 59.1887 32.0966 179.6158 98 S 4.0309 7.7414 114.7552 61.4542 63.0118 176.7106 99 I 3.4685 7.3124 123.4841 63.5377 36.6009 178.1836 100 K 3.9286 8.1228 120.8486 59.3480 31.4482 179.0021 101 G 3.7227 7.8597 105.7047 47.7104 0.0000 175.7689 102 K 3.9534 7.7630 121.1076 59.1831 31.9912 179.5546 103 L 3.9872 8.2867 119.5025 57.6342 41.3273 179.3670 104 E 3.9390 8.5717 119.3713 58.6385 29.1673 178.3035 105 E 4.4205 7.6831 114.2780 56.7198 30.4260 176.5655 106 Q 4.4996 7.7034 117.1247 57.2162 31.4394 176.6294 107 R 4.6989 8.0166 116.0870 52.6224 31.8772 173.3867 108 P 4.2699 0.0000 0.0000 65.6883 31.5935 177.4247 109 E 4.1984 8.1017 113.7472 58.2576 29.9381 178.1514 110 R 4.3409 8.1877 119.1101 57.2963 30.5090 178.6373 111 V 3.6856 7.5318 112.7982 64.3471 31.6193 178.1029 112 K 3.9220 8.0371 118.4269 59.2032 32.1018 176.6467 113 P 4.2822 0.0000 0.0000 65.5749 31.3022 178.3268 114 F 4.1973 8.6773 119.6541 61.6465 39.3577 177.1085 115 M 3.7693 8.2734 118.5168 58.4638 31.6297 178.9243 116 T 3.9369 8.0774 110.1296 64.7018 68.8641 176.8830 117 G 3.5429 8.2754 108.6183 47.4476 0.0000 175.5789 118 A 4.0522 8.1958 123.6759 54.5331 18.3580 179.5693 119 A 3.8606 7.8350 119.3676 55.2416 18.6002 179.4417 120 E 3.8705 7.8859 117.7687 59.6288 29.7483 178.8546 121 Q 4.0712 8.4626 119.9022 59.3107 29.1072 178.2550 122 I 3.9452 8.5708 121.2667 63.9133 37.1945 178.3570 123 K 4.0016 8.0655 120.5905 59.7736 31.8495 178.3849 124 H 4.2700 8.0349 117.1003 59.3097 29.9420 177.0213 125 I 4.0398 8.1468 121.7397 64.5327 36.7682 178.4854 126 L 4.2126 8.1279 118.4297 57.6986 41.4923 179.1115 127 A 4.3161 7.9940 119.5065 53.7994 18.5886 177.7378 128 N 4.9560 7.7513 114.5478 52.9276 39.9946 176.2380 129 F 4.2716 8.8358 123.2280 61.4175 39.2770 177.5751 130 K 3.9820 8.3170 117.5842 59.3877 32.2030 176.8415 131 N 4.4943 7.7386 115.2155 52.7614 37.5042 174.0554 132 Y 4.7555 6.9902 116.0345 56.6258 40.3937 175.0266 133 Q 4.2819 8.3004 120.0731 53.9874 32.4985 174.4964 134 F 5.3058 8.0860 120.2219 55.7891 42.0001 174.5141 135 F 5.3637 9.5198 122.0741 55.5960 42.9767 174.0427 136 I 5.1126 8.8837 115.5071 58.5307 41.3524 175.2442 137 G 4.1951 8.6762 110.6847 44.6950 0.0000 173.9768 138 E 4.0257 9.0341 120.6772 59.4701 29.5414 178.3492 139 N 4.4690 8.6746 114.8941 54.4118 38.7446 175.2724 140 M 3.3046 8.1055 116.8327 56.0347 30.1138 176.4561 141 N 4.4985 7.5975 115.5130 52.6900 39.2032 173.7936 142 P 4.3035 0.0000 0.0000 65.3925 31.3408 176.6776 143 D 4.8082 9.3503 118.2943 54.6870 41.2663 176.6935 144 G 4.0547 8.0473 109.0974 44.8013 0.0000 172.9330 145 M 3.8025 9.7530 119.9523 55.1267 32.6907 175.7294 146 V 4.5966 8.1094 123.2519 61.1329 33.2749 174.8615 147 A 4.2423 9.3569 131.0040 51.4612 20.0902 175.7261 148 L 4.8442 7.8733 120.2529 52.7922 44.5317 175.3062 149 L 4.7343 8.5990 125.0663 53.3282 45.0544 174.7306 150 D 4.8340 7.9225 124.1642 53.2276 45.5367 172.7998 151 Y 5.2724 8.2613 116.5237 55.8345 41.5449 176.2828 152 R 4.2653 9.0183 121.6482 55.5608 31.1040 177.3396 153 E 3.8650 8.8910 119.7314 59.7096 29.2876 177.7388 154 D 4.3695 8.1767 115.9484 54.0009 39.5448 176.6767 155 G 3.9685 8.7648 107.9583 46.2534 0.0000 174.4007 156 V 4.1700 9.2071 119.8352 62.8619 33.6925 175.5440 157 T 4.5672 8.3010 117.1250 61.7721 69.2895 172.7628 158 P 4.4748 0.0000 0.0000 62.3123 33.5035 174.5947 159 Y 5.1508 8.0232 117.9663 55.9702 41.7604 173.5647 160 M 4.9415 9.2895 120.6212 53.5183 36.2738 174.5179 161 I 4.8777 7.9641 121.9944 59.5696 40.3825 174.7697 162 F 5.1023 9.0306 124.4304 55.4535 43.5569 174.5109 163 F 4.7229 9.0678 120.6652 56.8284 39.6021 176.4740 164 K 4.1319 9.3204 128.4018 59.7638 32.1264 178.4087 165 D 4.5484 8.5033 116.3449 56.2165 41.1175 176.8486 166 G 4.2829 8.2928 107.7224 44.3804 0.0000 172.8539 167 L 5.5457 7.8038 118.5271 52.5189 45.2832 175.7780 168 E 4.7638 9.1344 119.3450 54.8928 32.6911 174.6673 169 M 4.5328 8.4574 121.3913 54.0442 34.1981 175.0932 170 E 4.6487 8.6637 122.9769 54.0103 32.8954 175.3424 171 K 4.2880 8.6001 126.0316 57.7952 34.0894 176.6052 172 C 3.9915 8.2291 120.1436 59.8681 33.0408 172.7876 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 E 8.44 4.32 0.00 1.95 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 2.27 2.35 0.00 0 F 9.02 4.17 0.00 3.07 3.10 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 1 M 8.55 4.79 0.00 2.10 1.48 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.52 0.00 2 I 9.23 4.74 1.85 0.00 0.00 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 1.13 0.56 0.38 0.00 0.00 3 I 8.75 4.58 1.79 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 1.22 0.65 0.85 0.00 0.00 4 Y 8.70 4.52 0.00 1.51 2.26 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 5 R 8.80 5.09 0.00 1.67 1.82 0.00 3.11 0.00 0.00 3.24 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.48 0.00 6 D 9.02 4.86 0.00 2.82 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 7 L 9.22 4.01 0.00 1.64 1.70 0.93 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 8 I 8.64 4.04 2.09 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.86 1.00 0.00 0.00 9 S 8.21 4.28 0.00 4.04 4.07 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 0.00 0.00 0.00 10 H 8.13 4.30 0.00 3.42 3.53 0.00 5.65 0.00 0.00 0.00 0.00 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 D 7.68 4.68 0.00 2.65 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 12 E 8.81 4.27 0.00 2.02 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 0.00 2.35 2.35 0.00 13 M 8.76 4.62 0.00 2.10 2.06 0.00 0.00 0.00 0.00 0.00 2.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.78 2.94 0.00 14 F 6.83 4.29 0.00 2.99 2.87 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 15 S 8.67 5.25 0.00 3.99 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 16 D 8.63 4.88 0.00 2.94 3.09 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 0.00 0.00 0.00 17 I 7.10 3.79 1.54 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 0.53 -0.36 0.70 0.00 0.00 18 Y 7.19 4.58 0.00 2.97 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 19 K 8.43 4.36 0.00 1.85 1.69 0.00 1.64 0.00 0.00 1.80 0.00 0.00 2.79 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.47 1.47 7.81 20 I 8.40 5.04 1.88 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 1.07 0.95 0.85 0.00 0.00 21 R 8.90 4.64 0.00 1.77 1.67 0.00 3.04 0.00 0.00 3.12 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.55 0.00 22 E 8.80 4.86 0.00 1.99 1.88 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 2.42 2.34 0.00 23 I 8.67 4.94 1.86 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 0.73 0.89 0.00 0.00 24 A 9.01 3.78 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 25 D 9.12 4.50 0.00 2.78 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 26 G 8.53 4.31 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 0.00 27 L 8.16 4.29 0.00 2.12 1.74 1.09 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 28 C 8.06 5.50 0.00 2.86 2.76 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 29 L 8.99 5.08 0.00 1.70 1.52 0.99 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 30 E 9.55 4.88 0.00 1.99 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 2.26 2.40 0.00 31 V 9.01 4.54 1.78 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 0.46 0.00 0.00 -0.13 0.00 0.00 32 E 8.74 4.52 0.00 2.00 1.81 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 2.26 2.24 0.00 33 G 8.44 4.53 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 K 8.88 4.73 0.00 1.91 1.89 0.00 1.35 0.00 0.00 1.67 0.00 0.00 2.95 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.58 1.44 7.81 35 M 8.41 4.73 0.00 2.06 2.07 0.00 0.00 0.00 0.00 0.00 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.66 0.00 36 V 8.55 4.32 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 0.59 0.00 0.00 0.95 0.00 0.00 37 S 6.96 3.83 0.00 3.94 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 38 R 8.44 4.49 0.00 1.80 1.89 0.00 3.30 0.00 0.00 3.24 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.74 0.00 *69 G 7.56 3.84 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 0.00 0.00 0.00 70 V 8.10 4.04 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 0.94 0.00 0.00 0.82 0.00 0.00 71 D 8.60 4.36 0.00 3.01 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 72 I 7.50 3.51 1.57 0.00 0.00 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.06 0.25 0.78 0.00 0.00 73 V 7.42 3.43 2.01 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 1.04 0.00 0.00 -0.05 0.00 0.00 74 M 8.12 4.06 0.00 2.09 2.08 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.72 2.59 0.00 75 N 8.73 4.31 0.00 2.79 2.71 0.00 0.00 6.91 8.71 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 76 H 7.60 4.81 0.00 3.24 3.38 0.00 5.81 0.00 0.00 0.00 0.00 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 H 7.55 4.13 0.00 3.34 3.39 0.00 5.65 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 78 L 8.05 4.60 0.00 1.61 1.83 1.07 0.92 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 79 Q 9.19 4.80 0.00 1.96 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 7.01 0.00 0.00 0.00 0.00 0.00 2.36 2.46 0.00 80 E 8.85 3.64 0.00 1.56 1.61 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 1.83 1.47 0.00 81 T 8.53 4.73 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 0.95 0.00 0.00 82 S 7.94 4.82 0.00 3.94 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 83 F 8.23 4.90 0.00 2.68 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 84 T 8.48 4.48 4.28 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 0.00 0.00 0.00 1.26 0.00 0.00 85 K 8.39 2.92 0.00 1.37 1.59 0.00 1.48 0.00 0.00 1.66 0.00 0.00 2.82 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.15 0.43 7.81 86 E 8.06 3.97 0.00 2.01 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 2.36 2.30 0.00 87 A 8.27 4.10 1.58 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 88 Y 8.24 3.53 0.00 2.81 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 89 K 8.10 3.76 0.00 1.79 1.78 0.00 1.69 0.00 0.00 1.53 0.00 0.00 2.91 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.44 1.58 7.81 90 K 7.83 3.85 0.00 1.83 1.98 0.00 1.65 0.00 0.00 1.61 0.00 0.00 2.92 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.45 1.43 7.81 91 Y 7.95 4.03 0.00 3.18 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 92 I 7.54 3.01 0.97 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.14 0.66 0.00 0.00 93 K 7.62 3.83 0.00 1.93 1.94 0.00 1.31 0.00 0.00 1.50 0.00 0.00 2.86 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.55 1.36 7.81 94 D 7.62 4.21 0.00 2.77 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 95 Y 7.50 3.91 0.00 2.28 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 96 M 8.13 4.05 0.00 2.05 2.14 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.35 0.00 97 K 7.69 3.96 0.00 1.84 1.79 0.00 1.61 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.41 1.56 7.81 98 S 7.74 4.03 0.00 3.95 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 99 I 7.31 3.47 1.17 0.00 0.00 -0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.72 -0.09 -0.22 0.00 0.00 100 K 8.12 3.93 0.00 1.94 1.95 0.00 1.64 0.00 0.00 1.68 0.00 0.00 2.92 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.42 1.48 7.81 101 G 7.86 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 0.00 102 K 7.76 3.95 0.00 1.86 1.75 0.00 1.50 0.00 0.00 1.71 0.00 0.00 3.01 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.38 1.62 7.81 103 L 8.29 3.99 0.00 1.67 1.78 0.61 0.83 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 0.00 104 E 8.57 3.94 0.00 2.13 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 2.31 2.46 0.00 105 E 7.68 4.42 0.00 2.13 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 2.42 2.30 0.00 106 Q 7.70 4.50 0.00 2.10 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 7.23 0.00 0.00 0.00 0.00 0.00 2.25 2.33 0.00 107 R 8.02 4.70 0.00 1.78 1.98 0.00 3.16 0.00 0.00 3.16 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.58 0.00 108 P 0.00 4.27 0.00 2.15 2.12 0.00 3.59 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.42 0.00 109 E 8.10 4.20 0.00 2.13 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 2.29 2.35 0.00 110 R 8.19 4.34 0.00 2.01 2.04 0.00 3.36 0.00 0.00 3.22 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.83 0.00 111 V 7.53 3.69 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 0.81 0.00 0.00 1.06 0.00 0.00 112 K 8.04 3.92 0.00 1.84 1.83 0.00 1.74 0.00 0.00 1.83 0.00 0.00 2.96 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.52 1.55 7.81 113 P 0.00 4.28 0.00 2.28 2.15 0.00 3.81 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 2.28 2.19 0.00 114 F 8.68 4.20 0.00 3.16 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 0.00 115 M 8.27 3.77 0.00 2.03 2.10 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 3.00 0.00 116 T 8.08 3.94 4.23 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 1.29 0.00 0.00 117 G 8.28 3.54 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 A 8.20 4.05 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 119 A 7.84 3.86 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 0.00 120 E 7.89 3.87 0.00 2.04 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 0.00 2.32 2.38 0.00 121 Q 8.46 4.07 0.00 2.24 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.58 0.00 0.00 0.00 0.00 0.00 2.30 2.52 0.00 122 I 8.57 3.95 1.97 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.92 0.99 0.00 0.00 123 K 8.07 4.00 0.00 2.03 2.06 0.00 1.66 0.00 0.00 1.61 0.00 0.00 2.91 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.49 1.48 7.81 124 H 8.03 4.27 0.00 3.25 3.59 0.00 6.01 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 0.00 125 I 8.15 4.04 2.21 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 1.90 1.16 0.92 0.00 0.00 126 L 8.13 4.21 0.00 1.85 1.78 0.96 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 127 A 7.99 4.32 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 0.00 128 N 7.75 4.96 0.00 2.69 2.79 0.00 0.00 6.43 8.23 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 0.00 129 F 8.84 4.27 0.00 3.34 3.19 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 0.00 130 K 8.32 3.98 0.00 1.90 2.02 0.00 1.62 0.00 0.00 1.76 0.00 0.00 3.13 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.42 1.40 7.81 131 N 7.74 4.49 0.00 2.55 2.74 0.00 0.00 6.85 6.99 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 0.00 132 Y 6.99 4.76 0.00 2.16 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 0.00 0.00 0.00 133 Q 8.30 4.28 0.00 1.97 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.77 0.00 0.00 0.00 0.00 0.00 2.24 2.21 0.00 134 F 8.09 5.31 0.00 3.08 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 0.00 135 F 9.52 5.36 0.00 2.93 2.94 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 0.00 136 I 8.88 5.11 1.95 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 1.36 1.38 0.99 0.00 0.00 137 G 8.68 4.20 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 0.00 0.00 0.00 138 E 9.03 4.03 0.00 2.15 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 2.34 2.42 0.00 139 N 8.67 4.47 0.00 3.14 2.90 0.00 0.00 7.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 140 M 8.11 3.30 0.00 2.16 2.18 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.76 2.47 0.00 141 N 7.60 4.50 0.00 2.86 2.79 0.00 0.00 7.00 7.59 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 0.00 142 P 0.00 4.30 0.00 2.31 2.22 0.00 3.86 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.04 0.00 143 D 9.35 4.81 0.00 2.85 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 0.00 144 G 8.05 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 0.00 0.00 0.00 145 M 9.75 3.80 0.00 2.23 2.24 0.00 0.00 0.00 0.00 0.00 2.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.81 2.64 0.00 146 V 8.11 4.60 2.29 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 1.15 0.00 0.00 0.68 0.00 0.00 147 A 9.36 4.24 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 148 L 7.87 4.84 0.00 1.18 0.99 0.03 0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 149 L 8.60 4.73 0.00 1.55 1.53 0.45 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 150 D 7.92 4.83 0.00 2.44 1.67 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 0.00 151 Y 8.26 5.27 0.00 2.81 2.85 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 0.00 152 R 9.02 4.27 0.00 2.07 1.87 0.00 3.08 0.00 0.00 2.73 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.68 0.00 153 E 8.89 3.86 0.00 1.90 2.01 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 2.30 2.39 0.00 154 D 8.18 4.37 0.00 2.82 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 0.00 155 G 8.76 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 0.00 0.00 0.00 156 V 9.21 4.17 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 0.87 0.00 0.00 0.94 0.00 0.00 157 T 8.30 4.57 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 1.26 0.00 0.00 158 P 0.00 4.47 0.00 1.63 1.43 0.00 3.68 0.00 0.00 4.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.89 0.00 159 Y 8.02 5.15 0.00 2.99 2.87 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 0.00 160 M 9.29 4.94 0.00 1.36 1.79 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.07 0.00 161 I 7.96 4.88 1.57 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 1.27 1.05 0.73 0.00 0.00 162 F 9.03 5.10 0.00 3.04 3.10 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 0.00 163 F 9.07 4.72 0.00 3.45 3.33 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 0.00 164 K 9.32 4.13 0.00 1.95 2.05 0.00 1.74 0.00 0.00 1.92 0.00 0.00 2.97 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.58 1.58 7.81 165 D 8.50 4.55 0.00 2.64 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 0.00 166 G 8.29 4.28 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 167 L 7.80 5.55 0.00 1.81 1.66 1.15 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 168 E 9.13 4.76 0.00 1.94 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 2.30 2.23 0.00 169 M 8.46 4.53 0.00 1.55 1.83 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 2.35 1.60 0.00 170 E 8.66 4.65 0.00 1.89 1.75 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 2.14 2.18 0.00 171 K 8.60 4.29 0.00 2.19 1.77 0.00 1.65 0.00 0.00 1.62 0.00 0.00 3.26 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.38 1.42 7.81 172 C 8.23 3.99 0.00 3.12 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 * Residues marked with a * may have inaccurate shift predictions.