NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 11 S 4.4034 8.3349 115.4113 58.0556 63.4563 173.2526 12 L 4.1886 8.1274 125.4839 52.7132 43.0417 175.3332 13 A 4.1186 8.4095 122.2769 52.0948 20.7183 176.2354 14 L 4.9291 8.2429 122.0533 53.6697 44.5035 175.4678 15 H 4.8971 9.0717 125.6711 54.5653 30.3388 175.0718 16 K 4.6807 9.0884 124.8105 55.4533 32.8920 175.9728 17 V 4.4968 8.8780 126.3381 61.0902 34.0025 174.4984 18 I 4.5978 7.9955 127.5623 59.6496 40.1731 174.2759 19 M 4.7045 8.6684 126.8512 54.3430 32.9364 176.1701 20 V 4.4982 9.7412 116.4638 58.9293 36.0974 174.9657 21 G 4.8442 8.0922 111.5283 44.3017 0.0000 172.5932 22 S 4.4586 8.6822 117.1476 57.9921 63.5511 174.4847 23 G 3.7178 8.5008 111.2706 47.1722 0.0000 174.4168 24 G 4.0226 8.9915 110.5681 45.5009 0.0000 175.5683 25 V 3.7971 7.4044 112.5097 62.6106 31.8612 176.9983 26 G 4.3480 7.7651 106.8758 45.7065 0.0000 176.1055 27 K 3.9465 8.6362 121.1299 59.4569 31.9714 179.1902 28 S 4.3427 8.3311 115.8417 61.0089 62.8085 176.3450 29 A 4.1762 8.1022 122.9934 55.2790 18.2025 179.4980 30 L 4.0659 8.3152 117.6047 58.3002 41.6393 179.8842 31 T 3.7752 7.9680 115.5985 66.7407 68.3090 176.7950 32 L 3.8963 8.2979 121.2014 57.4897 41.5747 179.3821 33 Q 4.1169 8.4435 119.9852 59.0889 28.8172 177.9915 34 F 4.1019 8.0538 120.5739 61.4191 39.4506 176.8427 35 M 3.6900 7.7969 117.2188 57.7734 31.8122 176.9641 36 Y 4.6946 7.3841 112.0996 56.6397 39.6002 174.8516 37 D 4.7563 8.0438 117.6586 54.5028 40.1518 173.2055 38 E 4.7776 8.1412 115.1369 54.3583 33.2428 175.6559 39 F 4.6688 8.7094 123.9547 56.5175 42.2465 173.9222 40 V 3.8763 7.4819 127.1368 60.2392 32.6697 173.9513 41 E 3.7266 7.9520 127.9452 57.8275 29.8032 176.6379 42 D 4.5904 8.8050 123.3715 54.7031 38.3419 173.0668 43 Y 4.3393 7.6982 121.1722 56.9472 38.9277 174.6136 44 E 4.3057 8.0383 129.3383 53.6651 30.1544 173.7106 45 P 4.0518 0.0000 0.0000 61.9970 33.1860 174.2421 *47 K 4.0007 8.1230 118.9259 56.6549 33.6994 175.2756 *50 S 4.4006 8.5927 114.0207 58.8798 63.2416 173.8159 51 Y 4.7378 9.0966 125.9673 56.5641 39.7971 175.3316 52 R 5.5794 8.3970 121.3278 53.8044 33.8991 174.9018 53 K 4.5162 8.2445 120.3784 55.4463 35.8112 174.1457 54 K 4.8585 8.6063 126.3347 55.6159 33.3763 176.3203 55 V 4.5755 8.7035 116.9984 59.7670 36.8726 174.5894 56 V 4.6342 8.5282 122.0999 61.5285 32.6238 175.1376 57 L 4.5772 9.2921 132.2293 54.2103 42.1006 176.1045 58 D 4.5821 9.9797 128.7993 55.4848 38.3133 175.1198 59 G 3.9516 8.5881 105.2606 45.0046 0.0000 172.7530 60 E 4.6507 8.0051 121.6697 53.9509 32.0091 174.5243 61 E 4.6218 8.8569 128.6425 56.4717 30.6147 175.8468 62 V 4.6319 9.1825 119.3584 59.9521 37.1886 173.8473 63 Q 5.0486 9.0213 120.0540 54.2890 31.7890 174.9259 64 I 4.8191 8.6378 124.0503 59.2021 41.0278 173.5252 65 D 5.3147 9.1289 128.2884 52.5484 44.0379 174.2319 66 I 4.8615 9.1823 127.2253 59.4945 40.0404 174.3502 67 L 4.6312 8.8771 130.5370 53.9972 43.0700 174.8355 68 D 5.2979 8.8736 128.2428 53.1135 41.0718 175.7104 69 T 4.2912 8.1604 114.2740 59.5756 70.7557 174.9865 70 A 4.2266 8.2944 125.1068 51.6928 19.2023 179.0498 71 G 3.8957 8.3276 111.1107 46.8378 0.0000 173.0965 *83 F 4.6196 7.8449 123.2473 58.0244 40.4897 175.6354 84 R 4.5342 7.9769 118.2406 58.1876 31.0500 178.0795 85 S 4.1273 8.1118 110.6076 59.7867 62.7882 174.4213 86 G 3.4159 7.2347 109.4182 46.1095 0.0000 173.0345 87 E 4.4751 8.6185 121.9839 56.7490 31.3364 176.5885 88 G 4.2708 7.3454 104.7519 44.4398 0.0000 171.5992 89 F 5.0861 9.1577 119.7615 55.2847 43.2344 174.1456 90 L 4.1312 8.5474 123.5976 53.3354 43.2127 175.6370 91 C 4.7440 8.5471 127.2079 58.3378 31.6393 172.0759 92 V 5.0241 8.8715 127.4203 61.4396 33.2845 174.5362 93 F 5.1419 8.8654 120.9889 55.5022 42.3271 172.8206 94 S 5.1628 9.0758 114.7723 56.5856 63.5581 175.1409 95 I 4.1132 8.6551 120.9039 63.2683 37.4843 177.1999 96 T 4.5928 7.6744 109.5935 60.9899 69.3308 174.5570 97 E 4.7028 8.3873 123.8189 53.8229 30.8222 175.3907 98 M 4.2698 9.4462 126.2183 57.8261 31.1946 178.0528 99 E 3.9483 8.2358 120.9272 59.3136 29.7040 178.6434 100 S 4.4177 7.9733 114.4181 60.4861 63.4122 176.0910 101 F 3.9982 8.1401 123.9713 61.0789 39.1291 176.7510 102 A 3.6864 8.2765 120.4560 55.1244 18.0178 179.4037 103 A 3.7139 7.8922 118.8500 54.7251 18.2429 179.7486 104 T 3.9190 7.6177 108.3056 64.4439 68.7132 176.6075 105 A 4.1602 7.6112 124.1492 55.2405 18.3977 179.3239 106 D 4.2139 7.6961 116.8553 57.4636 40.9208 178.7400 107 F 4.5581 7.4308 118.3805 60.6590 39.0782 177.5444 108 R 3.6569 8.3136 118.5719 59.4274 29.8481 178.1100 109 E 3.7576 8.0060 118.8407 59.3486 29.6311 178.7717 110 Q 3.9812 8.5361 118.4594 58.9061 28.7163 178.8330 111 I 3.8540 7.9968 120.9025 64.4727 36.9235 178.3975 112 L 4.1422 7.2186 119.2015 57.3469 41.6977 179.6297 113 R 3.9853 7.8288 117.5276 59.2281 29.8560 179.0495 114 V 3.6100 7.7083 117.2309 66.0796 31.8679 177.6328 115 K 4.1236 8.6741 118.2476 56.6735 31.9964 178.3475 116 E 3.8144 7.9667 115.1434 57.2722 29.0486 173.6157 117 D 4.8098 7.8923 119.0951 52.8009 42.4503 176.6463 118 E 4.2992 8.6583 124.5716 57.2611 30.2943 176.1772 119 N 4.9576 8.6198 117.9956 52.7305 39.4212 174.7872 120 V 3.7766 7.7091 116.2806 61.5797 32.5906 173.1865 121 P 4.4221 0.0000 0.0000 63.5324 32.1019 174.8999 122 F 5.3419 8.7992 125.8472 56.5896 42.9282 173.2705 123 L 4.8911 8.1004 126.1342 53.3844 45.8559 174.4827 124 L 5.0563 8.9965 128.6335 54.3591 43.6862 175.1400 125 V 4.6450 9.3245 127.3791 61.1435 34.1763 174.5499 126 G 3.4273 8.5946 116.3126 43.8747 0.0000 172.5462 127 N 5.0755 8.4883 126.5947 51.4628 41.5529 174.3124 128 K 4.1594 8.4677 117.1532 57.4908 28.7812 178.5750 129 S 4.2206 8.2038 115.1021 60.5797 63.0794 174.8843 130 D 4.4823 7.9377 119.4836 54.9497 39.9104 176.2882 131 L 4.6344 7.6259 121.6468 53.8871 42.3536 178.1349 132 E 3.9009 8.4384 121.8602 59.5169 29.6777 178.0384 133 D 4.5410 8.1273 115.2632 54.9875 39.4279 176.5578 134 K 4.4992 8.0775 119.0607 55.8364 32.9325 175.7371 135 R 4.2050 7.8498 120.1655 57.0693 30.2089 176.2134 136 Q 4.5071 9.3823 122.4627 55.2284 30.7502 175.5761 137 V 4.0978 7.5604 117.3480 60.0898 33.5722 175.7173 138 S 4.3415 8.2102 122.5981 57.8834 65.0230 175.0588 139 V 3.6825 8.2981 122.6121 66.2835 31.2713 178.1024 140 E 3.9197 8.1057 116.8343 59.3348 29.2346 178.6373 141 E 3.7246 7.8783 119.5487 58.9226 29.7318 178.6703 142 A 3.6200 7.3087 120.4255 54.8955 18.2142 179.7201 143 K 3.8511 8.0110 117.3411 59.5390 32.1165 179.1643 144 N 4.2170 8.1672 116.8520 56.4300 38.4918 177.4154 145 R 3.4063 7.5957 119.3584 59.0570 29.9752 178.3525 146 A 3.9909 7.8268 120.5698 55.3422 18.3906 179.3890 147 D 4.3054 8.4440 117.8316 57.4880 40.6357 178.7298 148 Q 3.9918 7.7858 119.2638 58.5542 29.1311 177.5467 149 W 4.7101 7.8405 117.0178 55.7723 29.8606 175.6469 150 N 4.2943 8.2183 115.4431 54.6903 35.7492 173.6740 151 V 4.7847 8.1499 109.2772 59.8306 36.5357 175.5423 152 N 5.0085 8.7768 118.2490 52.6131 40.9109 173.6389 153 Y 5.4908 8.5463 121.7223 56.0057 41.8576 174.4035 154 V 4.1846 8.1993 125.5993 61.0044 35.2009 173.6479 155 E 4.8091 8.3620 126.7932 55.0719 30.9411 175.2037 156 T 4.8824 8.6276 113.6348 60.0660 73.3844 173.0074 157 S 4.5617 8.5481 115.7736 56.9408 64.6756 174.5888 158 A 4.0115 8.2405 131.5429 54.9081 18.6132 178.7581 159 K 2.7261 7.4024 116.4368 59.2683 32.1970 177.9058 160 T 4.0832 7.4742 105.5810 61.6083 69.4294 175.8390 161 R 3.9714 8.0541 121.0327 55.8826 29.6431 175.4553 162 A 3.9658 7.3986 120.9039 53.7179 18.5808 177.2336 163 N 4.1410 9.0574 117.8897 54.4117 36.5557 176.6354 164 V 3.6227 7.9246 119.5120 66.4118 31.5588 177.9180 165 D 4.9850 8.2510 118.2021 57.2435 40.6819 178.3954 166 K 3.9007 8.1290 119.7086 59.8600 32.1969 179.0648 167 V 3.6203 7.7143 112.3581 64.3398 31.3483 178.7101 168 F 3.8644 7.8200 116.3541 60.3942 38.6952 177.8973 169 F 3.9779 8.8787 117.6550 60.6341 38.8655 177.4942 170 D 4.4373 8.7669 119.0155 57.3186 40.5631 178.6826 171 L 3.9556 7.9468 120.8900 58.3692 42.0801 178.9409 172 M 3.9169 8.0182 118.7305 58.3291 31.9211 178.9696 173 R 4.0406 8.0487 118.3389 59.0431 29.9476 178.9601 174 E 3.9851 7.7593 117.4597 59.5073 29.5569 179.1104 175 I 3.8279 7.8296 119.8685 64.3448 36.9177 178.3481 176 R 3.8743 8.1927 118.6677 58.6455 30.3928 177.3578 177 A 4.5228 7.7305 119.5270 51.9489 19.3561 177.1624 178 R 4.1559 7.5737 126.5566 57.7204 30.8526 176.8983 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 11 S 8.33 4.40 0.00 3.98 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 12 L 8.13 4.19 0.00 1.71 1.60 0.97 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 13 A 8.41 4.12 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 0.00 0.00 0.00 0.00 0.00 14 L 8.24 4.93 0.00 1.55 1.50 0.92 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 15 H 9.07 4.90 0.00 3.03 3.13 0.00 5.66 0.00 0.00 0.00 0.00 6.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 K 9.09 4.68 0.00 1.67 1.65 0.00 1.65 0.00 0.00 1.86 0.00 0.00 2.83 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.37 1.37 7.81 17 V 8.88 4.50 2.05 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 0.97 0.00 0.00 0.85 0.00 0.00 18 I 8.00 4.60 1.05 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.48 0.12 0.74 0.00 0.00 19 M 8.67 4.70 0.00 1.92 2.03 0.00 0.00 0.00 0.00 0.00 2.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.80 0.00 20 V 9.74 4.50 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 0.92 0.00 0.00 1.04 0.00 0.00 21 G 8.09 4.84 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 22 S 8.68 4.46 0.00 4.10 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 23 G 8.50 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 24 G 8.99 4.02 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 0.00 0.00 0.00 25 V 7.40 3.80 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 0.90 0.00 0.00 1.10 0.00 0.00 26 G 7.77 4.35 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 0.00 27 K 8.64 3.95 0.00 1.85 2.02 0.00 1.69 0.00 0.00 1.82 0.00 0.00 3.15 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.56 1.59 7.81 28 S 8.33 4.34 0.00 3.90 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 29 A 8.10 4.18 1.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.32 4.07 0.00 2.02 1.95 0.88 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 31 T 7.97 3.78 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 0.63 0.00 0.00 32 L 8.30 3.90 0.00 1.78 1.86 1.23 0.85 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 33 Q 8.44 4.12 0.00 2.29 2.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.81 0.00 0.00 0.00 0.00 0.00 2.41 2.49 0.00 34 F 8.05 4.10 0.00 2.83 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 35 M 7.80 3.69 0.00 0.51 1.37 0.00 0.00 0.00 0.00 0.00 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.49 0.00 36 Y 7.38 4.69 0.00 2.97 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 37 D 8.04 4.76 0.00 2.74 2.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 E 8.14 4.78 0.00 2.01 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.47 0.00 39 F 8.71 4.67 0.00 3.04 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 40 V 7.48 3.88 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 0.81 0.00 0.00 0.71 0.00 0.00 41 E 7.95 3.73 0.00 2.02 1.82 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 2.33 2.43 0.00 42 D 8.81 4.59 0.00 2.90 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 43 Y 7.70 4.34 0.00 2.83 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 44 E 8.04 4.31 0.00 1.89 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 0.00 2.08 2.18 0.00 45 P 0.00 4.05 0.00 2.16 2.01 0.00 3.61 0.00 0.00 2.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.95 0.00 *47 K 8.12 4.00 0.00 1.81 1.87 0.00 1.54 0.00 0.00 0.64 0.00 0.00 2.19 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.04 1.28 7.81 *50 S 8.59 4.40 0.00 3.93 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 51 Y 9.10 4.74 0.00 2.91 2.81 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 52 R 8.40 5.58 0.00 1.66 1.80 0.00 3.29 0.00 0.00 3.80 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.42 0.00 53 K 8.24 4.52 0.00 1.73 1.58 0.00 1.36 0.00 0.00 1.38 0.00 0.00 2.63 0.00 0.00 2.63 0.00 0.00 0.00 0.00 1.33 1.37 7.81 54 K 8.61 4.86 0.00 1.67 1.72 0.00 1.74 0.00 0.00 1.70 0.00 0.00 2.71 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.38 1.45 7.81 55 V 8.70 4.58 2.20 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 0.67 0.00 0.00 0.78 0.00 0.00 56 V 8.53 4.63 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.00 0.00 0.97 0.00 0.00 57 L 9.29 4.58 0.00 1.66 1.57 1.02 1.13 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 58 D 9.98 4.58 0.00 2.88 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 59 G 8.59 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 60 E 8.01 4.65 0.00 2.06 1.96 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 2.20 2.22 0.00 61 E 8.86 4.62 0.00 2.03 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.35 0.00 62 V 9.18 4.63 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 0.79 0.00 0.00 0.93 0.00 0.00 63 Q 9.02 5.05 0.00 2.03 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.70 6.77 0.00 0.00 0.00 0.00 0.00 2.23 2.23 0.00 64 I 8.64 4.82 1.81 0.00 0.00 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 1.52 1.00 0.00 0.00 65 D 9.13 5.31 0.00 2.67 2.43 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 66 I 9.18 4.86 1.91 0.00 0.00 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.60 0.98 0.00 0.00 67 L 8.88 4.63 0.00 1.74 1.52 0.95 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 68 D 8.87 5.30 0.00 2.96 2.81 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 69 T 8.16 4.29 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 1.29 0.00 0.00 70 A 8.29 4.23 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 71 G 8.33 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 *83 F 7.84 4.62 0.00 3.13 3.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 R 7.98 4.53 0.00 1.95 2.04 0.00 3.48 0.00 0.00 3.54 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.62 0.00 85 S 8.11 4.13 0.00 3.84 3.89 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 86 G 7.23 3.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.62 4.48 0.00 1.89 1.96 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 2.24 2.34 0.00 88 G 7.35 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 89 F 9.16 5.09 0.00 2.77 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 90 L 8.55 4.13 0.00 1.37 1.36 -0.13 0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 91 C 8.55 4.74 0.00 2.33 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 92 V 8.87 5.02 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 0.90 0.00 0.00 0.88 0.00 0.00 93 F 8.87 5.14 0.00 3.26 3.30 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 94 S 9.08 5.16 0.00 4.00 3.89 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 95 I 8.66 4.11 1.94 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 1.53 0.68 0.94 0.00 0.00 96 T 7.67 4.59 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 1.24 0.00 0.00 97 E 8.39 4.70 0.00 2.05 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 2.47 2.30 0.00 98 M 9.45 4.27 0.00 2.28 2.36 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 2.62 2.73 0.00 99 E 8.24 3.95 0.00 2.14 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 2.41 2.46 0.00 100 S 7.97 4.42 0.00 4.34 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 0.00 101 F 8.14 4.00 0.00 2.70 3.12 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 0.00 102 A 8.28 3.69 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 0.00 103 A 7.89 3.71 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 0.00 0.00 0.00 0.00 0.00 104 T 7.62 3.92 4.63 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 1.54 0.00 0.00 105 A 7.61 4.16 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 D 7.70 4.21 0.00 2.50 2.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 F 7.43 4.56 0.00 3.29 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 0.00 108 R 8.31 3.66 0.00 1.07 1.63 0.00 2.21 0.00 0.00 2.25 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.81 0.00 109 E 8.01 3.76 0.00 2.07 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 2.24 2.26 0.00 110 Q 8.54 3.98 0.00 2.29 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.58 0.00 0.00 0.00 0.00 0.00 2.36 2.60 0.00 111 I 8.00 3.85 1.82 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.05 -0.08 0.00 0.00 112 L 7.22 4.14 0.00 1.64 1.62 0.66 0.56 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 0.00 113 R 7.83 3.99 0.00 2.01 1.94 0.00 3.10 0.00 0.00 3.06 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.82 0.00 114 V 7.71 3.61 2.24 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 0.93 0.00 0.00 0.92 0.00 0.00 115 K 8.67 4.12 0.00 1.97 1.82 0.00 1.82 0.00 0.00 1.84 0.00 0.00 3.21 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.53 1.58 7.81 116 E 7.97 3.81 0.00 2.18 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.24 0.00 117 D 7.89 4.81 0.00 2.72 2.53 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 0.00 118 E 8.66 4.30 0.00 1.96 1.93 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 2.22 2.19 0.00 119 N 8.62 4.96 0.00 2.60 2.77 0.00 0.00 7.12 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 0.00 120 V 7.71 3.78 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 1.12 0.00 0.00 1.07 0.00 0.00 121 P 0.00 4.42 0.00 2.28 2.03 0.00 3.88 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.15 0.00 122 F 8.80 5.34 0.00 3.16 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 0.00 123 L 8.10 4.89 0.00 1.71 1.31 0.88 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 124 L 9.00 5.06 0.00 2.39 2.10 1.52 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 125 V 9.32 4.65 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 0.74 0.00 0.00 0.80 0.00 0.00 126 G 8.59 3.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 127 N 8.49 5.08 0.00 2.73 2.74 0.00 0.00 7.10 6.11 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 0.00 128 K 8.47 4.16 0.00 2.03 1.93 0.00 1.76 0.00 0.00 1.91 0.00 0.00 3.00 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.42 1.41 7.81 129 S 8.20 4.22 0.00 3.91 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 0.00 130 D 7.94 4.48 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 0.00 131 L 7.63 4.63 0.00 1.86 1.71 0.95 0.62 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 0.00 132 E 8.44 3.90 0.00 2.03 1.96 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 2.38 2.39 0.00 133 D 8.13 4.54 0.00 2.83 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 0.00 134 K 8.08 4.50 0.00 1.92 1.83 0.00 1.70 0.00 0.00 1.60 0.00 0.00 2.86 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.36 1.34 7.81 135 R 7.85 4.20 0.00 1.85 1.90 0.00 3.20 0.00 0.00 3.37 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.76 0.00 136 Q 9.38 4.51 0.00 2.02 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.44 0.00 0.00 0.00 0.00 0.00 2.29 2.46 0.00 137 V 7.56 4.10 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 0.77 0.00 0.00 138 S 8.21 4.34 0.00 4.27 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 0.00 139 V 8.30 3.68 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 1.30 0.00 0.00 1.08 0.00 0.00 140 E 8.11 3.92 0.00 2.15 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.27 0.00 141 E 7.88 3.72 0.00 1.91 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 0.00 2.01 2.10 0.00 142 A 7.31 3.62 0.35 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 0.00 143 K 8.01 3.85 0.00 1.93 1.87 0.00 1.73 0.00 0.00 1.70 0.00 0.00 3.07 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.66 1.78 7.81 144 N 8.17 4.22 0.00 2.81 2.78 0.00 0.00 6.67 7.46 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 0.00 145 R 7.60 3.41 0.00 1.53 1.73 0.00 2.21 0.00 0.00 2.25 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.50 0.00 146 A 7.83 3.99 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 147 D 8.44 4.31 0.00 2.78 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 0.00 148 Q 7.79 3.99 0.00 2.06 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.84 0.00 0.00 0.00 0.00 0.00 2.45 2.40 0.00 149 W 7.84 4.71 0.00 3.37 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 0.00 150 N 8.22 4.29 0.00 2.96 2.97 0.00 0.00 6.70 7.84 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 0.00 151 V 8.15 4.78 2.54 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 0.92 0.00 0.00 1.39 0.00 0.00 152 N 8.78 5.01 0.00 2.72 2.79 0.00 0.00 6.21 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 0.00 153 Y 8.55 5.49 0.00 3.09 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 0.00 154 V 8.20 4.18 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 0.86 0.00 0.00 0.86 0.00 0.00 155 E 8.36 4.81 0.00 1.72 1.72 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 1.89 1.97 0.00 156 T 8.63 4.88 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 1.13 0.00 0.00 157 S 8.55 4.56 0.00 3.81 3.61 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 0.00 158 A 8.24 4.01 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 159 K 7.40 2.73 0.00 0.79 1.41 0.00 1.79 0.00 0.00 1.85 0.00 0.00 3.03 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.23 1.19 7.81 160 T 7.47 4.08 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 1.13 0.00 0.00 161 R 8.05 3.97 0.00 2.08 2.18 0.00 3.14 0.00 0.00 3.16 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.53 0.00 162 A 7.40 3.97 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 0.00 163 N 9.06 4.14 0.00 2.98 2.83 0.00 0.00 6.74 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 0.00 164 V 7.92 3.62 2.20 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 1.33 0.00 0.00 1.00 0.00 0.00 165 D 8.25 4.98 0.00 2.74 2.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 166 K 8.13 3.90 0.00 1.80 2.01 0.00 1.69 0.00 0.00 1.89 0.00 0.00 2.91 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.55 1.54 7.81 167 V 7.71 3.62 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 0.61 0.00 0.00 0.66 0.00 0.00 168 F 7.82 3.86 0.00 2.70 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 169 F 8.88 3.98 0.00 3.24 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 0.00 170 D 8.77 4.44 0.00 2.82 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 0.00 171 L 7.95 3.96 0.00 1.73 1.68 0.88 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 172 M 8.02 3.92 0.00 1.93 2.07 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.47 0.00 173 R 8.05 4.04 0.00 2.06 2.00 0.00 3.18 0.00 0.00 3.21 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.99 0.00 174 E 7.76 3.99 0.00 2.18 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 2.60 2.52 0.00 175 I 7.83 3.83 1.86 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 1.37 0.88 0.93 0.00 0.00 176 R 8.19 3.87 0.00 1.78 2.13 0.00 3.27 0.00 0.00 3.24 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.68 0.00 177 A 7.73 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 0.00 178 R 7.57 4.16 0.00 1.98 1.94 0.00 3.21 0.00 0.00 3.27 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.57 0.00 * Residues marked with a * may have inaccurate shift predictions.