NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 49 A 4.2719 8.2644 123.5779 52.0524 19.3596 175.8907 50 L 3.8413 7.9282 123.7675 52.9813 43.0903 175.4033 51 K 4.1950 8.5093 127.3321 55.5268 31.9113 174.2603 52 H 4.5419 8.3708 125.1494 55.0661 30.7792 174.7628 53 V 4.3665 7.6441 124.9004 60.5694 34.4894 174.7187 54 E 4.0660 8.6763 126.5125 55.7361 30.0810 175.2770 55 P 4.5615 0.0000 0.0000 62.0103 32.2899 177.2639 56 Q 4.0247 8.5794 117.1784 58.7826 28.6555 176.8989 57 D 4.6651 7.9677 116.3891 52.7780 39.9671 175.6960 58 A 4.6335 7.4887 121.8531 52.5705 18.8950 177.2734 59 I 4.3520 7.9754 117.1920 60.1200 41.5403 173.6245 60 S 4.5763 8.4774 122.8610 57.3704 64.4193 173.2375 61 P 4.1096 0.0000 0.0000 65.8382 30.5580 178.3515 62 D 4.4263 8.3136 117.8365 57.8868 40.8426 178.8464 63 N 4.3993 8.2391 116.4451 56.5030 38.3429 176.8771 64 Y 4.0146 7.8649 119.8853 61.1245 39.1143 177.8648 65 M 4.3096 8.5060 119.6765 58.2322 32.0350 178.3666 66 D 4.3617 8.4878 119.5740 57.8931 40.8537 178.8349 67 M 4.1672 7.7941 117.4535 58.1351 30.7342 177.9459 68 L 4.3002 7.6586 116.9620 54.0223 41.6352 177.6008 69 G 4.1185 8.0343 107.1003 46.2724 0.0000 173.5227 70 L 4.3578 7.1578 119.1622 53.1853 42.6917 176.8136 71 E 4.1699 8.6396 123.6037 55.3637 30.3372 177.0077 72 A 3.9962 8.7909 126.8558 55.4814 18.4471 180.4365 73 R 3.9896 7.9585 110.1798 58.7036 29.7215 176.9329 74 D 4.7567 8.3287 117.5188 53.9574 40.8541 176.0340 75 R 4.6369 7.3263 117.5878 54.7694 32.5384 175.2971 76 T 4.4070 8.1971 115.9025 62.7434 69.6454 174.6290 77 M 4.6413 8.4706 125.8253 53.8876 35.4549 174.5280 78 Y 5.1848 8.7588 117.4849 56.3758 42.3061 174.5481 79 E 5.1644 8.9345 120.0819 54.8174 34.0536 173.7395 80 L 5.0044 9.0571 123.8083 53.6455 44.2984 175.1516 81 V 4.5998 9.1212 127.9709 61.6946 33.1812 174.4005 82 I 5.1483 9.0587 129.7205 60.2490 39.1713 174.4532 83 Y 5.0841 9.2484 124.2852 56.1471 41.9215 175.1553 84 R 4.1490 8.7191 122.1149 55.3548 30.6219 177.0386 85 K 3.9591 8.9949 127.9135 59.4901 32.1114 178.0068 86 N 4.3898 8.1034 116.4622 55.4512 37.4867 174.7646 87 D 4.4788 7.7869 116.7029 52.9914 40.2978 175.5692 88 K 4.4565 8.3371 124.5439 57.5201 32.7562 178.9751 89 D 4.4216 7.6996 119.7254 57.5804 40.6914 178.3094 90 K 4.0465 7.9760 115.7098 57.7904 32.4371 177.2908 91 G 3.9519 7.5198 104.9598 43.4215 0.0000 170.8816 92 P 3.6565 0.0000 0.0000 61.9776 31.8668 176.2606 93 W 4.4672 8.9060 134.3044 60.3151 31.2404 176.2413 94 K 4.3858 7.8835 116.5480 54.9045 36.3610 175.1221 95 R 4.9543 8.1154 120.9884 54.6676 32.9516 174.4688 96 Y 4.5637 8.9569 122.0643 56.0388 40.6217 174.4767 97 D 4.7422 8.8040 124.1879 53.6782 42.0801 175.7019 98 L 4.3401 8.5556 125.6536 54.8277 42.2330 177.3145 99 N 4.6015 9.0602 120.0954 55.0958 39.2699 177.8066 100 G 3.7298 8.3665 105.5916 47.1770 0.0000 173.4097 101 R 4.6688 8.1886 118.1195 54.2500 33.4607 175.6209 102 S 4.7405 8.3171 113.1416 59.0898 64.5008 173.0516 103 C 5.2821 7.3654 119.8010 58.6206 34.5935 172.4242 104 Y 4.8367 9.2062 123.0322 56.1728 41.7013 173.9731 105 L 4.5839 9.7504 127.3633 54.2279 43.7580 175.2471 106 V 4.6298 8.6473 127.2888 61.5287 33.7803 174.8572 107 G 4.6574 8.1971 112.6786 45.9337 0.0000 172.2365 108 R 4.4480 8.7547 121.7134 56.7378 30.2096 176.2685 109 E 4.5567 9.4153 127.7934 55.3089 31.3290 175.7433 110 L 3.8756 8.8668 126.3960 57.7003 41.9099 179.4602 111 G 3.9998 8.4808 106.9516 46.2271 0.0000 174.7104 *112 H 4.2819 7.9007 115.8592 57.1623 28.4665 181.3459 *122 T 4.2054 7.5652 114.9860 62.6114 69.4224 173.7410 123 E 4.0507 8.6933 123.2775 56.4152 30.1957 175.9946 124 I 4.2277 8.0447 120.4970 59.1637 39.0697 175.1306 125 V 3.9369 8.3563 128.4346 62.3705 31.9759 175.0996 126 V 4.0912 8.3652 126.2338 64.0855 33.0127 176.0428 127 A 4.2782 7.6989 120.5472 52.1720 18.9620 176.6911 128 D 4.5738 8.8237 120.5970 56.2668 42.1850 176.6915 129 I 3.9447 7.7562 119.8665 59.2142 39.0038 174.7887 130 G 4.7134 8.4240 114.0808 44.5584 0.0000 171.2179 131 I 4.5630 8.5201 124.5328 57.8512 40.5055 175.2523 132 P 4.6774 0.0000 0.0000 61.7230 30.2219 176.5704 133 E 4.5986 7.7025 119.7201 54.3245 31.0286 175.7684 134 E 4.0118 8.8535 128.1406 59.0968 29.9714 177.3331 135 T 4.2550 7.8447 106.5536 62.1385 69.5314 174.5843 136 S 4.6405 7.3894 117.0258 57.4352 64.5716 174.2531 137 S 4.5151 8.5940 117.9266 57.6333 64.1408 175.2048 138 K 3.8508 8.8141 123.8570 59.2349 31.9210 176.0333 139 Q 4.3850 7.6675 117.8428 54.3212 29.0010 174.3797 140 H 4.5521 8.9244 122.3444 57.8535 30.8415 174.0511 141 C 5.2175 7.8218 110.9813 56.9675 33.5657 172.1176 142 V 4.9401 8.6168 112.6362 59.6969 34.8087 174.8817 143 I 4.7794 8.7273 125.2730 59.7725 39.1940 174.3851 144 Q 4.9690 9.2741 128.9495 54.2627 31.8618 174.0173 145 F 5.1179 9.3885 125.5754 56.4441 41.3506 175.1809 146 R 4.7684 8.9933 120.7100 54.7698 34.8217 174.2079 147 N 4.9749 9.2539 123.0774 52.7217 38.3517 174.2891 148 V 3.9362 8.7333 125.7280 62.1560 30.3091 176.0920 149 R 3.9658 9.4314 128.0676 56.8265 27.5901 177.4556 150 G 4.0976 8.9158 104.8405 45.1282 0.0000 173.9319 151 I 4.5252 7.5652 121.0205 58.8572 39.4429 174.3875 152 L 4.2197 8.3110 128.2046 54.9230 42.2990 176.0797 153 K 4.6371 8.9593 125.1483 54.6216 36.7045 174.7380 154 C 4.6669 7.9488 122.0318 57.7117 34.6363 172.1397 155 Y 5.1553 8.4992 121.6685 56.1889 42.4683 174.3703 156 V 4.9818 8.8432 121.1643 60.2465 34.8389 174.2661 157 M 4.9878 8.7658 122.0879 53.8006 35.4441 173.6150 158 D 4.6866 8.6900 126.0498 53.5270 42.9547 176.2093 159 L 4.5176 8.5046 126.7079 54.6690 41.5783 176.3653 160 D 4.5076 7.8763 114.1440 55.3540 38.6538 174.4255 161 S 4.3470 8.0462 112.0212 57.9891 64.2589 175.0472 162 S 4.2579 8.1757 118.3468 61.7742 62.7091 175.7844 163 N 4.5550 8.2279 115.9615 53.0681 39.4479 176.0628 164 G 4.1063 8.3852 103.6187 45.3424 0.0000 171.9810 165 T 4.9066 7.8332 114.6814 61.7432 71.9775 173.2516 166 C 5.2572 8.8278 122.0847 57.8165 31.9678 172.6989 167 L 4.9585 8.6139 124.4316 53.4523 44.2337 176.2188 168 N 4.0197 10.0045 126.1787 54.5710 36.6695 173.9924 169 N 4.2150 8.4181 109.6070 54.3645 37.7433 173.0417 170 V 4.3436 7.4898 115.9189 59.8040 33.8296 175.0077 171 V 4.1943 8.4197 127.4772 62.0918 31.6765 175.5371 172 I 4.5927 8.2067 117.6022 58.5459 39.7995 173.5605 173 P 4.4996 0.0000 0.0000 62.3688 32.1731 176.2873 174 G 3.7919 8.7926 109.0901 45.4910 0.0000 173.8809 175 A 3.8896 8.6661 120.8619 52.2742 16.7477 177.5404 176 R 4.5225 7.1697 116.7415 55.4739 33.2598 174.5638 177 Y 4.5829 8.4666 123.8341 58.1504 38.7440 174.9470 178 I 4.6156 8.8559 125.6286 59.0218 39.9839 174.8651 179 E 3.9253 9.1066 128.4928 56.4503 30.0720 175.7672 180 L 4.7049 8.2037 126.7406 53.0972 43.6866 176.0403 181 R 4.7288 9.6215 122.2274 53.8812 33.1514 174.7498 182 S 4.4020 8.8303 117.6985 60.4006 62.5947 174.6201 183 G 4.0671 9.1674 116.6324 45.0665 0.0000 173.5396 184 D 4.7061 8.3597 120.4868 54.5909 42.2798 175.5739 185 V 4.7632 9.1596 122.8783 61.3011 33.8145 174.1588 186 L 5.3059 9.3526 129.2361 53.5429 43.9495 175.8458 187 T 4.9369 8.6854 112.2865 59.5136 72.5241 173.8779 188 L 4.6637 8.3355 121.6778 54.3359 42.3421 176.2395 189 S 4.8257 7.0649 107.5282 57.4896 65.6219 173.6490 190 E 3.8617 8.3115 124.9768 57.7355 29.5874 176.9404 191 F 5.0635 7.6852 117.0832 55.1958 41.7926 176.0582 192 E 4.0071 9.1040 124.4988 59.6877 29.4213 179.0660 193 E 4.1465 8.3422 117.3389 58.8661 29.5910 177.0728 194 D 4.6227 7.7472 116.5468 54.9412 41.5045 175.9015 195 N 4.9633 8.2882 118.0481 52.2140 39.6449 174.4449 196 D 4.6781 9.2810 122.1506 54.4256 43.1487 175.7361 197 Y 5.3034 8.0176 114.4621 55.9896 41.7195 174.9568 198 E 4.7606 9.3567 120.6141 54.6834 33.3117 175.0055 199 L 4.9091 9.2251 125.2592 53.4037 43.8228 175.6173 200 I 4.8078 8.9729 126.9440 59.3976 38.9979 175.2891 201 F 4.7532 9.1764 131.3715 58.4177 40.5161 174.0708 202 M 4.8938 8.3599 124.7942 53.5237 36.1937 174.3133 203 N 4.7623 8.3911 119.9613 52.4902 40.2606 174.8846 204 V 4.1666 8.2492 121.5081 61.7135 34.8450 174.3153 205 H 5.2091 8.4845 127.8933 56.9362 31.3826 173.5027 *206 H 3.8886 8.8640 115.9841 57.1960 25.3251 170.9161 *207 H 4.6036 8.1952 121.7400 55.4874 28.5027 175.4574 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 49 A 8.26 4.27 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 50 L 7.93 3.84 0.00 1.55 1.62 0.87 0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 51 K 8.51 4.20 0.00 1.72 1.72 0.00 1.70 0.00 0.00 1.62 0.00 0.00 3.01 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.38 1.46 7.81 52 H 8.37 4.54 0.00 3.12 3.18 0.00 5.73 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 53 V 7.64 4.37 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 0.87 0.00 0.00 0.90 0.00 0.00 54 E 8.68 4.07 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 2.62 2.34 0.00 55 P 0.00 4.56 0.00 2.33 2.16 0.00 3.71 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 1.98 1.72 0.00 56 Q 8.58 4.02 0.00 2.18 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 7.14 0.00 0.00 0.00 0.00 0.00 2.31 2.35 0.00 57 D 7.97 4.67 0.00 3.12 2.93 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 58 A 7.49 4.63 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 59 I 7.98 4.35 1.96 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.14 1.02 0.00 0.00 60 S 8.48 4.58 0.00 4.10 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 61 P 0.00 4.11 0.00 2.09 2.13 0.00 3.50 0.00 0.00 2.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.47 0.00 62 D 8.31 4.43 0.00 2.76 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 63 N 8.24 4.40 0.00 2.79 2.90 0.00 0.00 6.77 7.57 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 64 Y 7.86 4.01 0.00 2.99 3.14 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 65 M 8.51 4.31 0.00 2.13 2.17 0.00 0.00 0.00 0.00 0.00 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.72 3.07 0.00 66 D 8.49 4.36 0.00 2.83 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 67 M 7.79 4.17 0.00 1.90 2.09 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 2.90 2.55 0.00 68 L 7.66 4.30 0.00 1.76 1.64 0.87 1.44 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 69 G 8.03 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 0.00 0.00 0.00 0.00 70 L 7.16 4.36 0.00 1.76 1.62 1.03 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 71 E 8.64 4.17 0.00 2.00 1.80 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 2.37 2.30 0.00 72 A 8.79 4.00 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 73 R 7.96 3.99 0.00 1.92 2.07 0.00 3.02 0.00 0.00 3.22 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.65 0.00 74 D 8.33 4.76 0.00 2.79 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 75 R 7.33 4.64 0.00 1.79 1.85 0.00 3.16 0.00 0.00 3.25 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.78 0.00 76 T 8.20 4.41 4.15 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 0.78 0.00 0.00 77 M 8.47 4.64 0.00 1.80 1.77 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 2.45 2.54 0.00 78 Y 8.76 5.18 0.00 2.97 2.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 E 8.93 5.16 0.00 2.14 1.95 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 2.10 2.21 0.00 80 L 9.06 5.00 0.00 1.80 1.67 1.06 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 81 V 9.12 4.60 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.60 0.00 0.00 0.96 0.00 0.00 82 I 9.06 5.15 2.28 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.20 1.33 0.00 0.00 83 Y 9.25 5.08 0.00 2.90 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 84 R 8.72 4.15 0.00 1.75 1.86 0.00 3.04 0.00 0.00 3.19 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.69 0.00 85 K 8.99 3.96 0.00 1.69 1.79 0.00 1.79 0.00 0.00 1.94 0.00 0.00 2.95 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.41 1.37 7.81 86 N 8.10 4.39 0.00 2.80 2.85 0.00 0.00 5.83 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 7.79 4.48 0.00 2.85 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 88 K 8.34 4.46 0.00 1.84 1.88 0.00 1.72 0.00 0.00 1.70 0.00 0.00 2.40 0.00 0.00 2.36 0.00 0.00 0.00 0.00 1.60 1.46 7.81 89 D 7.70 4.42 0.00 2.80 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 90 K 7.98 4.05 0.00 1.81 1.93 0.00 1.76 0.00 0.00 1.76 0.00 0.00 3.01 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.48 1.48 7.81 91 G 7.52 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 0.00 0.00 0.00 92 P 0.00 3.66 0.00 1.82 1.48 0.00 3.62 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.79 0.00 93 W 8.91 4.47 0.00 3.32 3.49 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 0.00 0.00 0.00 0.00 94 K 7.88 4.39 0.00 1.49 1.13 0.00 0.93 0.00 0.00 1.17 0.00 0.00 2.14 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.58 0.21 7.81 95 R 8.12 4.95 0.00 1.49 1.71 0.00 3.09 0.00 0.00 3.12 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.48 0.00 96 Y 8.96 4.56 0.00 2.89 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 97 D 8.80 4.74 0.00 2.70 2.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 L 8.56 4.34 0.00 1.89 1.85 1.20 0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 99 N 9.06 4.60 0.00 2.92 3.05 0.00 0.00 6.94 7.53 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 0.00 100 G 8.37 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 0.00 101 R 8.19 4.67 0.00 0.81 1.38 0.00 2.79 0.00 0.00 3.03 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.46 0.00 102 S 8.32 4.74 0.00 4.06 4.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 C 7.37 5.28 0.00 3.23 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 0.00 104 Y 9.21 4.84 0.00 2.90 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 0.00 105 L 9.75 4.58 0.00 1.73 1.71 0.95 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 106 V 8.65 4.63 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 0.84 0.00 0.00 0.91 0.00 0.00 107 G 8.20 4.66 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 0.00 108 R 8.75 4.45 0.00 2.03 1.87 0.00 3.26 0.00 0.00 3.33 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.74 0.00 109 E 9.42 4.56 0.00 2.01 1.71 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 2.25 2.32 0.00 110 L 8.87 3.88 0.00 1.71 1.73 0.94 1.13 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 0.00 111 G 8.48 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *112 H 7.90 4.28 0.00 2.95 2.99 0.00 7.24 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *122 T 7.57 4.21 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 0.00 123 E 8.69 4.05 0.00 2.09 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 2.30 2.32 0.00 124 I 8.04 4.23 1.88 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 1.31 0.80 0.92 0.00 0.00 125 V 8.36 3.94 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 0.90 0.00 0.00 0.96 0.00 0.00 126 V 8.37 4.09 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 0.88 0.00 0.00 0.94 0.00 0.00 127 A 7.70 4.28 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 D 8.82 4.57 0.00 2.77 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 0.00 129 I 7.76 3.94 1.64 0.00 0.00 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.32 1.02 0.18 0.00 0.00 130 G 8.42 4.71 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 0.00 0.00 0.00 131 I 8.52 4.56 1.79 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 1.18 0.87 0.64 0.00 0.00 132 P 0.00 4.68 0.00 1.95 2.00 0.00 2.41 0.00 0.00 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 1.97 0.00 133 E 7.70 4.60 0.00 2.04 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 2.31 2.36 0.00 134 E 8.85 4.01 0.00 1.99 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 2.31 0.00 135 T 7.84 4.26 4.29 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 1.24 0.00 0.00 136 S 7.39 4.64 0.00 3.91 3.83 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 0.00 137 S 8.59 4.52 0.00 3.92 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 0.00 138 K 8.81 3.85 0.00 1.84 1.83 0.00 1.79 0.00 0.00 1.83 0.00 0.00 2.97 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.52 1.55 7.81 139 Q 7.67 4.38 0.00 2.03 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.80 0.00 0.00 0.00 0.00 0.00 2.24 2.30 0.00 140 H 8.92 4.55 0.00 3.52 3.37 0.00 5.76 0.00 0.00 0.00 0.00 6.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 141 C 7.82 5.22 0.00 3.13 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 0.00 142 V 8.62 4.94 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 0.63 0.00 0.00 0.80 0.00 0.00 143 I 8.73 4.78 1.96 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 1.02 0.78 0.68 0.00 0.00 144 Q 9.27 4.97 0.00 2.22 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.59 6.83 0.00 0.00 0.00 0.00 0.00 1.99 2.21 0.00 145 F 9.39 5.12 0.00 3.27 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 0.00 146 R 8.99 4.77 0.00 1.79 1.84 0.00 2.21 0.00 0.00 2.30 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.48 0.00 147 N 9.25 4.97 0.00 2.88 2.86 0.00 0.00 7.10 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 0.00 148 V 8.73 3.94 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.00 0.00 1.05 0.00 0.00 149 R 9.43 3.97 0.00 2.02 2.02 0.00 3.25 0.00 0.00 3.25 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.63 0.00 150 G 8.92 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 0.00 151 I 7.57 4.53 1.92 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 1.26 0.73 0.95 0.00 0.00 152 L 8.31 4.22 0.00 0.27 1.17 0.65 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 153 K 8.96 4.64 0.00 1.69 1.12 0.00 1.76 0.00 0.00 1.63 0.00 0.00 2.80 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.26 1.51 7.81 154 C 7.95 4.67 0.00 2.41 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 0.00 0.00 0.00 155 Y 8.50 5.16 0.00 2.72 2.82 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 0.00 156 V 8.84 4.98 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 0.87 0.00 0.00 0.91 0.00 0.00 157 M 8.77 4.99 0.00 1.85 1.35 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.26 0.00 158 D 8.69 4.69 0.00 2.80 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 0.00 159 L 8.50 4.52 0.00 1.80 1.58 0.89 0.89 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 0.00 160 D 7.88 4.51 0.00 2.78 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 0.00 161 S 8.05 4.35 0.00 3.70 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 162 S 8.18 4.26 0.00 3.90 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 0.00 163 N 8.23 4.56 0.00 2.81 2.90 0.00 0.00 7.28 7.73 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 0.00 164 G 8.39 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 0.00 0.00 0.00 0.00 165 T 7.83 4.91 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 1.26 0.00 0.00 166 C 8.83 5.26 0.00 2.83 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 0.00 167 L 8.61 4.96 0.00 1.70 1.48 0.91 0.75 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 0.00 168 N 10.00 4.02 0.00 2.83 2.85 0.00 0.00 7.03 8.66 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 0.00 169 N 8.42 4.22 0.00 2.83 2.89 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 0.00 170 V 7.49 4.34 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 1.02 0.00 0.00 0.97 0.00 0.00 171 V 8.42 4.19 1.92 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 0.69 0.00 0.00 0.85 0.00 0.00 172 I 8.21 4.59 1.85 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 1.44 0.64 0.89 0.00 0.00 173 P 0.00 4.50 0.00 2.06 2.06 0.00 3.74 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.95 0.00 174 G 8.79 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175 A 8.67 3.89 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 0.00 176 R 7.17 4.52 0.00 1.55 1.69 0.00 3.25 0.00 0.00 3.21 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.55 0.00 177 Y 8.47 4.58 0.00 2.74 2.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 178 I 8.86 4.62 1.90 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 1.13 1.13 0.92 0.00 0.00 179 E 9.11 3.93 0.00 1.94 1.77 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 1.98 1.72 0.00 180 L 8.20 4.70 0.00 0.77 0.76 0.21 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 181 R 9.62 4.73 0.00 1.76 1.89 0.00 3.14 0.00 0.00 3.11 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.58 0.00 182 S 8.83 4.40 0.00 3.89 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 0.00 183 G 9.17 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 0.00 0.00 0.00 184 D 8.36 4.71 0.00 2.81 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 0.00 185 V 9.16 4.76 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 1.01 0.00 0.00 0.98 0.00 0.00 186 L 9.35 5.31 0.00 1.72 1.57 0.92 0.25 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 0.00 187 T 8.69 4.94 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 1.24 0.00 0.00 188 L 8.34 4.66 0.00 1.56 1.33 0.83 0.71 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 0.00 189 S 7.06 4.83 0.00 3.81 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 0.00 190 E 8.31 3.86 0.00 1.78 1.20 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 1.47 1.87 0.00 191 F 7.69 5.06 0.00 3.30 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 0.00 192 E 9.10 4.01 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 2.61 2.37 0.00 193 E 8.34 4.15 0.00 1.93 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 2.29 2.34 0.00 194 D 7.75 4.62 0.00 2.85 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 0.00 195 N 8.29 4.96 0.00 2.79 2.77 0.00 0.00 6.85 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 0.00 196 D 9.28 4.68 0.00 2.47 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 0.00 0.00 0.00 197 Y 8.02 5.30 0.00 2.77 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 0.00 198 E 9.36 4.76 0.00 2.02 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 2.25 2.29 0.00 199 L 9.23 4.91 0.00 1.80 1.68 1.03 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 200 I 8.97 4.81 2.08 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.87 1.05 0.00 0.00 201 F 9.18 4.75 0.00 3.07 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 0.00 202 M 8.36 4.89 0.00 1.79 1.75 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.64 0.00 203 N 8.39 4.76 0.00 2.46 2.42 0.00 0.00 6.67 7.77 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 0.00 204 V 8.25 4.17 1.90 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 0.97 0.00 0.00 0.83 0.00 0.00 205 H 8.48 5.21 0.00 3.08 3.16 0.00 6.09 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 *206 H 8.86 3.89 0.00 3.00 2.94 0.00 7.23 0.00 0.00 0.00 0.00 5.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *207 H 8.20 4.60 0.00 2.67 2.91 0.00 5.84 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.