NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 K 4.3916 8.3144 120.0076 56.6782 33.9557 174.3459 7 F 4.4728 8.5820 121.1047 55.7253 41.9563 172.7278 8 A 4.8287 7.4522 129.3913 50.4402 22.9310 174.9641 9 S 4.6658 8.4780 115.0271 56.7152 66.0788 173.5435 10 K 4.5186 8.4432 121.1913 54.3851 35.3304 174.9598 11 E 4.4675 8.0541 120.8607 54.3992 31.7126 174.7321 12 Y 4.6144 8.2949 123.2870 56.4110 40.3162 175.0673 13 G 4.0422 7.8761 112.5429 45.7110 0.0000 171.9630 14 V 4.5358 8.0235 111.3907 59.4405 35.3633 175.7652 15 T 4.1925 8.3947 119.1589 63.1530 68.9480 174.4945 16 I 4.1764 8.4622 127.9180 61.0399 38.9216 176.8435 17 G 3.6714 8.8235 117.2847 47.3522 0.0000 172.9299 18 E 4.8676 8.6540 117.9318 53.8118 33.6658 172.4262 19 S 5.0121 8.4457 114.8125 56.6159 65.7067 173.2763 20 R 4.8137 8.4584 117.7853 55.1074 32.5357 173.8244 21 I 4.4357 8.5345 121.1311 59.6247 39.8902 174.7695 22 I 4.7583 8.3147 128.0717 60.4194 38.1703 174.6155 23 Y 4.2518 9.1534 130.5517 55.3448 39.9872 172.9138 24 P 4.8476 0.0000 0.0000 61.2390 31.9982 176.3427 25 L 3.9847 8.7862 127.3039 56.8297 42.4175 175.6044 26 D 4.5997 9.4194 127.0394 54.5341 37.2685 172.1553 27 A 4.6536 7.9181 122.0063 49.7106 22.6174 176.3865 28 A 4.0825 8.8182 124.4467 53.6636 18.4990 177.8059 29 G 4.3880 6.8404 98.9140 45.9675 0.0000 172.1223 30 V 4.7085 8.2671 111.6513 59.8961 36.2334 174.8372 31 M 5.2140 8.6002 121.6746 53.7566 34.7281 175.5961 32 V 4.5037 8.4462 121.2454 61.2616 35.3424 174.6523 33 S 4.7855 8.7810 123.5642 58.4429 64.1210 173.7918 34 V 4.4180 8.8714 123.0553 61.1193 34.3227 173.8419 35 K 5.0473 8.7908 129.1302 54.5909 34.6898 174.4436 36 N 4.8103 8.9114 126.8201 52.9512 39.5888 175.3308 37 T 4.3666 8.5037 115.5727 61.8057 70.3897 174.8559 38 Q 3.9736 7.3084 121.2178 56.5117 29.0243 175.8208 39 D 4.8650 8.2690 117.2633 53.1562 39.7676 175.3833 40 Y 5.0050 6.7595 115.9687 54.7370 41.2596 173.1210 41 P 4.6146 0.0000 0.0000 63.7139 32.1141 175.9900 42 V 4.6722 8.7489 115.1401 59.5853 36.8263 174.1759 43 L 4.6478 9.2017 125.3712 54.0061 43.3852 175.1375 44 I 4.6910 8.3887 128.2525 59.8217 39.2352 174.6359 45 Q 4.9619 9.4297 127.9050 54.4594 31.8270 174.0558 46 S 5.4636 8.8324 124.0802 57.7929 66.3734 174.2543 47 R 4.7333 8.7745 121.3591 55.8345 34.1523 173.6285 48 I 4.9121 7.9848 119.1826 60.3814 40.1390 175.7545 49 Y 4.5869 9.0417 123.3100 56.2468 38.3357 174.6798 *60 P 4.3854 0.0000 0.0000 62.3752 32.4868 180.0920 61 F 4.9715 9.4512 113.4642 56.0121 41.9609 175.3081 62 V 4.6173 8.7457 118.2438 60.5339 34.7052 173.9305 63 V 5.2633 8.3279 122.0515 60.7825 34.7470 174.8038 64 T 4.8086 8.2059 122.0113 61.1773 72.8728 171.7249 65 P 4.6644 0.0000 0.0000 62.0891 32.1421 175.2635 66 P 4.6232 0.0000 0.0000 64.7786 32.3107 175.4171 67 L 4.9792 7.6607 118.8927 54.5122 45.6687 173.5430 68 F 4.9319 9.0183 120.3578 56.1970 41.6780 172.6213 69 R 4.7768 8.6809 120.1499 54.9675 31.7065 175.2480 70 L 4.7610 8.6624 127.1525 53.2935 45.4399 175.6629 71 D 4.9923 8.8476 125.7827 53.4570 42.6349 175.6810 72 A 4.1054 8.4755 122.3102 54.2218 18.3817 178.6236 73 K 4.0641 8.4366 120.4254 56.7358 31.4008 176.4814 74 Q 4.5371 7.6500 118.2499 55.5811 30.1550 174.7548 75 Q 5.2037 8.4439 117.7376 54.8766 32.2230 173.6578 76 N 5.0566 8.9681 116.9598 52.4635 42.9324 173.5555 77 S 5.1249 8.4485 118.7160 57.7387 64.8733 173.5046 78 L 4.9126 8.7453 121.3022 52.9946 45.6677 175.5953 79 R 4.9736 8.6504 123.3915 54.9130 31.8623 174.8695 80 I 4.9073 8.4757 127.8055 60.6765 39.0308 174.9440 81 A 5.2530 8.8962 126.5461 50.8685 22.9743 175.0921 82 Q 4.1177 8.4585 117.9875 54.7474 29.7357 176.0255 83 A 3.9904 8.5138 125.7056 55.4827 18.5601 178.6544 84 G 3.9503 8.3254 101.0055 44.9562 0.0000 174.1543 85 G 3.3927 8.0355 110.7133 46.3081 0.0000 174.4033 *86 V 3.4294 7.2020 117.9891 59.9197 31.1174 175.2404 87 F 5.3883 8.2072 123.9011 53.6686 42.3099 173.6101 88 P 4.3404 0.0000 0.0000 63.8363 31.5231 177.5951 89 R 4.3028 8.5702 119.7556 56.9874 29.4819 174.9910 90 D 4.5262 7.4945 115.9998 55.2093 40.5292 178.2649 91 K 4.3289 7.3540 120.0759 54.4377 34.7071 175.7942 92 E 4.5949 8.4418 118.5704 56.4857 30.3226 176.7689 93 S 4.9999 8.6864 117.1426 56.6653 67.4943 172.8067 94 L 4.6258 8.3277 122.4480 53.2547 44.1434 175.5562 95 K 4.6854 8.4525 124.7288 54.2548 36.4629 174.8718 96 W 5.0848 9.0409 120.9841 54.9312 32.4578 174.5338 97 L 5.0514 8.8134 126.8656 53.9643 43.5005 174.2453 98 C 5.5852 9.3508 124.0460 55.2766 44.6897 173.0584 99 V 4.6123 9.1089 124.2339 61.0787 33.6320 174.0023 100 K 4.8497 9.5883 130.8770 55.2029 34.1900 175.2547 101 G 4.4296 9.4002 114.4855 44.4781 0.0000 171.9881 102 I 4.9452 8.9250 126.2587 58.9179 40.5139 173.6460 103 P 4.6757 0.0000 0.0000 62.4211 32.3298 176.4001 *118 Q 4.1227 8.2938 110.8442 54.7636 29.4820 174.7625 119 K 4.4616 7.2220 117.2828 55.1452 35.5436 174.2372 120 F 4.5394 8.7704 127.4766 58.0000 40.1614 174.4628 121 N 4.4137 8.7375 126.2098 50.9181 40.2944 172.9548 122 P 4.0869 0.0000 0.0000 64.5972 31.2733 176.5390 123 D 4.7737 7.6499 117.1157 54.3034 41.9125 176.8782 124 K 4.4645 7.7565 116.0451 57.0136 34.7513 176.8459 125 D 4.7663 8.1184 116.8634 55.1429 41.4104 176.6545 126 V 4.3686 8.7366 118.6363 61.3742 33.3485 175.6792 127 G 3.6040 8.0023 112.9101 44.8529 0.0000 172.1006 128 V 4.3652 7.7580 122.9173 60.9884 33.2991 175.8091 129 F 4.9122 8.7754 124.9017 55.7080 41.9563 174.7564 130 V 4.7025 8.1639 115.5388 60.0881 35.1121 175.0484 131 Q 4.5946 8.2965 118.7251 55.0182 32.5694 174.1803 132 F 4.9485 7.7703 114.2966 55.4384 40.8614 173.4535 133 A 4.9408 8.5388 124.3206 50.7295 21.2182 176.0583 134 I 4.6727 8.5312 119.4403 59.1580 41.8156 173.6319 135 N 5.3876 8.8951 126.8144 52.0597 41.1246 172.8455 136 N 5.1355 9.0612 123.7661 51.8375 41.9206 173.7096 137 C 6.0587 8.4477 118.4367 54.9854 41.6856 173.5343 138 I 4.6811 8.5060 124.9136 59.6525 39.2204 175.6605 139 K 3.3271 8.5626 124.7108 56.2786 33.3767 175.6539 140 L 4.6084 8.6181 127.2277 53.3080 43.8192 174.9035 141 L 4.2940 9.2153 131.5313 53.6496 43.5519 175.5687 142 V 4.4470 8.2356 128.2258 61.8323 32.4386 174.8532 143 R 4.7194 9.0799 129.2158 53.8369 32.9060 172.4690 144 P 4.3343 0.0000 0.0000 63.1949 31.5610 176.6512 145 N 4.5308 8.6939 120.0549 55.4776 38.9004 175.6042 146 E 4.5300 7.8204 116.4617 54.9470 30.0900 176.9081 147 L 4.1904 7.5117 121.4907 55.0779 43.7818 174.8159 148 K 4.3116 8.4213 127.2009 56.4553 33.2268 175.5248 149 G 4.4723 8.8486 109.3111 46.5850 0.0000 173.6265 150 T 4.3144 8.2183 112.2390 59.5235 70.6439 174.0092 151 P 4.4228 0.0000 0.0000 65.6003 30.9502 178.1368 152 I 3.9703 7.1978 117.5268 63.4115 37.9115 176.6656 153 Q 4.3676 8.2086 117.2544 56.4453 29.0821 176.0947 154 F 4.7756 8.3327 115.8486 56.7588 42.1355 176.3621 155 A 4.2518 8.4489 126.3655 55.7506 18.7478 179.5387 156 E 3.3073 7.9299 111.8785 58.9909 29.8549 181.8066 157 N 4.8371 7.9193 112.5876 53.9582 38.3332 175.2638 158 L 4.3294 7.6358 119.3136 54.8243 42.3742 176.7304 159 S 4.9704 8.1859 116.0578 56.5091 66.7093 172.8203 160 W 5.2266 8.9512 120.1316 55.3196 32.6852 174.4070 161 K 4.7617 8.8745 120.4150 55.5946 36.8878 174.8689 162 V 4.6992 7.8506 119.9908 61.6305 33.3698 174.2545 163 D 4.2884 9.0188 120.6185 54.6518 44.9514 175.8477 164 G 3.7999 9.2802 114.0452 47.3187 0.0000 173.3369 165 G 4.0225 8.0424 99.9874 45.3408 0.0000 173.5332 166 K 4.5447 7.4958 115.4884 55.0283 36.4248 174.5622 167 L 4.4393 10.1826 130.5479 53.8278 42.8938 174.8804 168 I 4.3976 8.0467 127.3369 60.6076 38.6337 175.1378 169 A 4.3700 9.0935 128.1550 49.6705 22.3395 174.2491 170 E 4.6435 8.1443 121.4751 54.2383 32.7271 174.2805 171 N 4.9145 8.9663 126.4027 51.2320 39.7299 173.2068 172 P 4.1791 0.0000 0.0000 64.6509 32.0408 177.6976 173 S 3.9875 7.8290 112.7812 57.2607 63.4309 173.3708 174 P 4.0578 0.0000 0.0000 63.8024 30.9716 175.8732 175 F 5.6574 7.0867 116.4941 55.4142 42.4550 174.4620 176 Y 4.0371 9.1941 121.0509 58.6827 38.5690 175.7322 177 M 4.4394 8.9739 124.4579 54.0474 33.8483 175.4405 178 N 5.1802 8.8056 123.0925 52.1561 38.8548 173.8800 179 I 4.3989 8.4813 124.5390 61.5040 37.2251 175.9797 180 G 4.1822 9.4667 114.2495 46.3881 0.0000 173.0950 181 E 4.8250 8.0819 121.3637 54.7517 33.4683 173.8588 182 L 5.1353 8.6362 128.9857 54.2765 45.1746 174.0665 183 T 5.0634 9.0123 117.5948 59.7666 71.8514 172.9054 184 F 5.1342 9.1180 127.0260 56.6543 42.3745 175.0371 185 G 3.4182 9.1016 116.9443 46.7793 0.0000 173.5918 186 G 3.8850 8.0076 101.4424 45.6075 0.0000 172.9120 187 K 4.6050 7.6209 119.5143 54.0791 34.7766 175.5506 188 S 4.9141 8.5829 118.2182 58.2220 64.1607 173.3264 189 I 4.5889 8.7760 123.8223 58.6164 39.3389 173.8613 190 P 4.4238 0.0000 0.0000 63.0654 31.6427 176.6187 191 S 4.4601 8.9101 119.0219 58.3670 63.9834 172.4236 192 H 4.3671 8.0676 118.1119 55.5759 31.8661 173.2398 193 Y 4.6851 7.6969 122.0661 57.0551 39.5411 174.9898 194 I 4.6301 8.6920 121.0004 58.5957 39.8114 173.6158 195 P 3.6158 0.0000 0.0000 61.8623 31.6807 174.6124 196 P 4.1693 0.0000 0.0000 62.6039 32.5539 175.5405 197 K 3.8924 8.4795 118.1712 56.7114 30.6283 174.0477 198 S 4.6150 7.9039 113.9761 58.0049 65.8676 172.3987 199 T 5.1034 8.3169 107.7344 60.2389 72.1531 172.8234 200 W 5.0845 8.9517 130.6544 55.7137 34.8112 173.2794 201 A 4.9194 6.5270 126.0379 50.1181 19.9408 175.4376 202 F 4.9012 9.9019 122.3117 56.2612 41.6065 175.2405 203 D 4.3621 8.8381 121.4523 54.1275 41.8997 176.0904 204 L 4.8279 8.1445 122.0428 52.8524 44.8978 174.5691 *213 N 4.8597 8.3378 116.2398 54.2622 40.4433 174.1462 214 V 5.0382 8.4972 124.4614 61.2978 34.9675 174.3219 215 S 5.9041 9.1950 122.5826 55.8535 67.2909 172.8973 216 W 6.0990 7.7868 116.5562 56.7939 31.2059 173.2244 217 R 5.2699 8.7660 120.0394 54.5769 33.6655 175.3165 218 I 4.8285 8.6116 116.2667 60.2000 40.7012 174.1470 219 I 4.9342 8.2549 123.7756 59.6699 37.8501 176.2049 220 N 4.5978 9.0740 125.7583 52.0908 38.8515 175.7512 221 D 4.8007 8.5235 116.3394 55.1728 40.5825 176.8419 222 Q 4.5215 8.4143 117.8848 55.4340 29.4617 178.0024 223 G 3.9466 7.9888 105.0522 46.1543 0.0000 174.7781 224 G 4.0270 7.7295 107.0599 45.1893 0.0000 172.6321 225 L 4.9802 8.1759 119.8766 53.5472 42.7297 177.0720 226 D 4.8128 8.6964 124.6769 53.2896 42.7565 175.2959 227 R 4.0879 8.3906 116.8202 56.0116 30.3801 175.5147 228 L 4.4873 7.7908 121.1481 54.0555 43.5690 174.8229 229 Y 4.6173 7.6064 120.8107 56.2001 42.3534 174.4447 230 S 5.6141 8.1717 115.0338 56.4384 67.5015 173.7018 231 K 4.7436 8.4459 120.0319 55.7938 36.8776 176.1568 232 N 4.6945 8.7453 117.4981 54.0993 39.3721 174.5055 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 6 K 8.31 4.39 0.00 1.94 1.93 0.00 1.50 0.00 0.00 1.73 0.00 0.00 2.92 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.33 1.46 7.81 7 F 8.58 4.47 0.00 3.07 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 8 A 7.45 4.83 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 9 S 8.48 4.67 0.00 4.00 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 10 K 8.44 4.52 0.00 1.66 1.04 0.00 1.80 0.00 0.00 1.56 0.00 0.00 2.73 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.19 1.33 7.81 11 E 8.05 4.47 0.00 1.75 1.62 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 2.09 2.21 0.00 12 Y 8.29 4.61 0.00 2.95 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 13 G 7.88 4.04 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 0.00 0.00 0.00 14 V 8.02 4.54 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 0.81 0.00 0.00 0.95 0.00 0.00 15 T 8.39 4.19 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 1.25 0.00 0.00 16 I 8.46 4.18 1.89 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 1.36 0.52 0.92 0.00 0.00 17 G 8.82 3.67 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 0.00 0.00 0.00 18 E 8.65 4.87 0.00 1.94 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 2.11 1.82 0.00 19 S 8.45 5.01 0.00 3.82 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 20 R 8.46 4.81 0.00 1.62 1.74 0.00 2.86 0.00 0.00 3.15 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.56 0.00 21 I 8.53 4.44 1.81 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 0.80 0.90 0.00 0.00 22 I 8.31 4.76 1.81 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 1.16 0.72 0.85 0.00 0.00 23 Y 9.15 4.25 0.00 2.95 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 24 P 0.00 4.85 0.00 1.88 1.94 0.00 3.19 0.00 0.00 2.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.80 0.00 25 L 8.79 3.98 0.00 1.73 1.69 1.17 1.42 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 26 D 9.42 4.60 0.00 2.93 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 27 A 7.92 4.65 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 A 8.82 4.08 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 29 G 6.84 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 0.00 0.00 0.00 0.00 30 V 8.27 4.71 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 0.51 0.00 0.00 1.12 0.00 0.00 31 M 8.60 5.21 0.00 1.86 1.94 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 2.48 2.43 0.00 32 V 8.45 4.50 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 1.08 0.00 0.00 0.95 0.00 0.00 33 S 8.78 4.79 0.00 3.81 3.80 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 34 V 8.87 4.42 2.30 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 1.04 0.00 0.00 1.05 0.00 0.00 35 K 8.79 5.05 0.00 1.80 1.67 0.00 1.83 0.00 0.00 1.64 0.00 0.00 2.75 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.31 1.40 7.81 36 N 8.91 4.81 0.00 2.85 2.63 0.00 0.00 6.49 6.76 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 37 T 8.50 4.37 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 1.21 0.00 0.00 38 Q 7.31 3.97 0.00 1.53 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 7.38 0.00 0.00 0.00 0.00 0.00 2.17 1.85 0.00 39 D 8.27 4.86 0.00 2.77 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 40 Y 6.76 5.00 0.00 2.86 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 41 P 0.00 4.61 0.00 2.01 2.07 0.00 3.75 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.18 0.00 42 V 8.75 4.67 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 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9.45 4.97 0.00 2.89 3.01 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 62 V 8.75 4.62 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 0.72 0.00 0.00 0.95 0.00 0.00 63 V 8.33 5.26 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 1.29 0.00 0.00 0.98 0.00 0.00 64 T 8.21 4.81 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 1.19 0.00 0.00 65 P 0.00 4.66 0.00 2.48 2.16 0.00 3.40 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.58 0.00 66 P 0.00 4.62 0.00 2.18 2.38 0.00 3.77 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 1.99 0.00 67 L 7.66 4.98 0.00 1.71 1.60 0.94 0.69 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 68 F 9.02 4.93 0.00 3.21 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 69 R 8.68 4.78 0.00 1.85 1.90 0.00 3.20 0.00 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7.20 3.43 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 0.78 0.00 0.00 0.93 0.00 0.00 87 F 8.21 5.39 0.00 3.02 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 88 P 0.00 4.34 0.00 2.07 2.16 0.00 3.82 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.15 0.00 89 R 8.57 4.30 0.00 1.83 1.82 0.00 3.25 0.00 0.00 3.28 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.18 0.00 90 D 7.49 4.53 0.00 2.70 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 91 K 7.35 4.33 0.00 1.76 1.75 0.00 1.48 0.00 0.00 1.61 0.00 0.00 2.99 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.33 1.42 7.81 92 E 8.44 4.59 0.00 2.09 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 2.49 2.76 0.00 93 S 8.69 5.00 0.00 3.57 3.60 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 94 L 8.33 4.63 0.00 0.44 1.11 -0.14 -0.25 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 142 V 8.24 4.45 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 0.76 0.00 0.00 0.52 0.00 0.00 143 R 9.08 4.72 0.00 1.88 1.73 0.00 3.19 0.00 0.00 3.21 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.81 0.00 144 P 0.00 4.33 0.00 2.00 2.03 0.00 3.79 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 2.27 2.19 0.00 145 N 8.69 4.53 0.00 2.67 2.90 0.00 0.00 6.90 8.40 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 0.00 146 E 7.82 4.53 0.00 2.07 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 2.32 2.23 0.00 147 L 7.51 4.19 0.00 1.60 1.33 0.84 0.50 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 0.00 148 K 8.42 4.31 0.00 1.84 1.88 0.00 1.78 0.00 0.00 1.83 0.00 0.00 2.92 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.50 1.56 7.81 149 G 8.85 4.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 150 T 8.22 4.31 4.21 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 1.22 0.00 0.00 151 P 0.00 4.42 0.00 2.31 2.12 0.00 3.65 0.00 0.00 3.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.83 0.00 152 I 7.20 3.97 1.93 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 1.59 0.90 0.97 0.00 0.00 153 Q 8.21 4.37 0.00 2.18 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.50 0.00 0.00 0.00 0.00 0.00 2.75 2.60 0.00 154 F 8.33 4.78 0.00 3.38 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 0.00 155 A 8.45 4.25 1.55 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 0.00 0.00 156 E 7.93 3.31 0.00 1.91 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 2.31 1.90 0.00 157 N 7.92 4.84 0.00 2.98 2.95 0.00 0.00 7.10 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 158 L 7.64 4.33 0.00 0.96 0.93 0.15 0.94 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 0.00 159 S 8.19 4.97 0.00 3.87 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 0.00 160 W 8.95 5.23 0.00 3.16 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 0.00 161 K 8.87 4.76 0.00 1.68 1.68 0.00 1.59 0.00 0.00 1.58 0.00 0.00 2.83 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.40 1.40 7.81 162 V 7.85 4.70 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 1.01 0.00 0.00 163 D 9.02 4.29 0.00 2.67 2.40 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 0.00 164 G 9.28 3.80 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 0.00 165 G 8.04 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 0.00 166 K 7.50 4.54 0.00 1.89 1.71 0.00 1.55 0.00 0.00 1.44 0.00 0.00 2.82 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.24 1.33 7.81 167 L 10.18 4.44 0.00 1.77 1.88 1.14 0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 168 I 8.05 4.40 1.83 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.23 0.81 0.00 0.00 169 A 9.09 4.37 0.34 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 0.00 170 E 8.14 4.64 0.00 1.92 1.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.11 0.00 171 N 8.97 4.91 0.00 2.67 2.73 0.00 0.00 6.85 7.55 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 0.00 172 P 0.00 4.18 0.00 2.06 2.06 0.00 3.68 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 2.00 2.00 0.00 173 S 7.83 3.99 0.00 3.60 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 0.00 174 P 0.00 4.06 0.00 0.56 1.53 0.00 2.39 0.00 0.00 3.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 1.63 0.00 175 F 7.09 5.66 0.00 2.78 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 0.00 176 Y 9.19 4.04 0.00 2.88 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 0.00 177 M 8.97 4.44 0.00 2.03 2.05 0.00 0.00 0.00 0.00 0.00 2.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.70 0.00 178 N 8.81 5.18 0.00 2.79 2.85 0.00 0.00 7.08 7.45 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 0.00 179 I 8.48 4.40 2.34 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.59 1.05 0.00 0.00 180 G 9.47 4.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 181 E 8.08 4.82 0.00 2.06 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 2.30 2.33 0.00 182 L 8.64 5.14 0.00 1.76 1.54 0.63 -0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 183 T 9.01 5.06 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 1.21 0.00 0.00 184 F 9.12 5.13 0.00 2.87 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 0.00 185 G 9.10 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 0.00 186 G 8.01 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 0.00 0.00 0.00 187 K 7.62 4.61 0.00 1.75 1.69 0.00 1.68 0.00 0.00 1.69 0.00 0.00 3.00 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.30 1.46 7.81 188 S 8.58 4.91 0.00 3.88 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 0.00 189 I 8.78 4.59 1.72 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.90 0.88 0.00 0.00 190 P 0.00 4.42 0.00 2.09 2.12 0.00 3.78 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.17 0.00 191 S 8.91 4.46 0.00 4.24 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 192 H 8.07 4.37 0.00 3.24 2.85 0.00 5.73 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 0.00 193 Y 7.70 4.69 0.00 2.99 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 0.00 194 I 8.69 4.63 1.85 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.97 0.82 0.00 0.00 195 P 0.00 3.62 0.00 1.89 1.97 0.00 3.89 0.00 0.00 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.19 0.00 196 P 0.00 4.17 0.00 1.93 1.84 0.00 2.98 0.00 0.00 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.80 0.00 197 K 8.48 3.89 0.00 1.70 1.80 0.00 1.63 0.00 0.00 1.54 0.00 0.00 2.79 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.55 1.26 7.81 198 S 7.90 4.62 0.00 3.87 3.68 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 0.00 0.00 0.00 199 T 8.32 5.10 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 1.19 0.00 0.00 200 W 8.95 5.08 0.00 3.23 2.59 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 0.00 0.00 0.00 0.00 201 A 6.53 4.92 0.82 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 0.00 202 F 9.90 4.90 0.00 3.15 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 0.00 203 D 8.84 4.36 0.00 2.65 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 0.00 204 L 8.14 4.83 0.00 1.68 1.73 1.06 1.13 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 *213 N 8.34 4.86 0.00 2.80 2.69 0.00 0.00 6.31 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 0.00 214 V 8.50 5.04 1.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.13 0.00 0.00 0.84 0.00 0.00 215 S 9.19 5.90 0.00 3.72 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 0.00 216 W 7.79 6.10 0.00 3.53 3.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 217 R 8.77 5.27 0.00 1.82 1.99 0.00 3.20 0.00 0.00 3.51 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.56 0.00 218 I 8.61 4.83 2.05 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.03 1.25 0.00 0.00 219 I 8.25 4.93 1.92 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.68 1.00 0.00 0.00 220 N 9.07 4.60 0.00 2.85 2.99 0.00 0.00 6.59 8.84 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 0.00 221 D 8.52 4.80 0.00 2.65 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 0.00 222 Q 8.41 4.52 0.00 2.25 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 5.96 0.00 0.00 0.00 0.00 0.00 2.25 2.25 0.00 223 G 7.99 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 0.00 224 G 7.73 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 0.00 225 L 8.18 4.98 0.00 1.55 1.63 0.94 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 226 D 8.70 4.81 0.00 2.76 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 0.00 227 R 8.39 4.09 0.00 1.51 1.78 0.00 2.97 0.00 0.00 3.15 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.30 0.00 228 L 7.79 4.49 0.00 1.46 1.33 0.88 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 229 Y 7.61 4.62 0.00 1.43 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 230 S 8.17 5.61 0.00 3.65 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 231 K 8.45 4.74 0.00 2.11 1.96 0.00 2.24 0.00 0.00 2.11 0.00 0.00 3.03 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.64 1.74 7.81 232 N 8.75 4.69 0.00 2.73 2.74 0.00 0.00 6.64 7.56 0.00 0.00 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.