NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 42 D 4.5905 8.2233 120.1907 53.0852 41.2940 175.6687 43 P 3.7125 0.0000 0.0000 62.0731 32.2127 176.8438 *45 A 4.2488 8.3008 123.9060 52.2888 21.6724 179.6214 46 S 4.0913 8.0988 110.1240 61.5641 62.2828 176.5503 47 I 3.6872 7.5422 122.5958 64.3107 36.9967 177.9808 48 K 3.7857 8.1998 120.0197 59.6954 31.7757 178.2056 49 L 3.8990 8.0100 120.1094 58.1879 42.2506 178.5041 50 L 3.9532 7.8534 119.0278 58.3207 41.5311 179.5997 51 N 4.3775 8.5269 116.2551 56.3493 38.5041 177.5694 52 L 4.0241 7.9293 120.0612 57.6195 41.5128 179.5879 53 E 3.9584 8.1998 118.8815 59.1824 29.4443 179.1031 54 R 3.8275 7.8562 118.4591 59.5375 30.2842 177.9480 55 E 3.9463 8.4252 119.3282 59.4841 29.5558 178.3440 56 N 4.3139 8.1154 116.9211 56.8289 39.1229 176.8580 57 S 4.0886 8.3215 114.5474 61.0242 62.4276 176.0452 58 A 3.7303 8.0042 123.6959 55.0227 18.1583 179.5382 59 I 3.7163 7.6963 118.0235 64.6655 37.2246 178.4322 60 A 3.9999 8.0206 121.4150 55.1562 18.0272 179.5017 61 Q 3.7837 7.8238 117.7846 59.6344 29.0719 178.1766 62 Y 4.2563 7.6207 117.7048 61.1538 37.8322 178.4654 63 Q 4.0684 8.2065 119.1575 58.5465 28.7891 178.2382 64 S 4.0664 8.1667 114.3766 61.7096 62.4032 176.0407 65 N 4.3328 8.3679 119.0271 56.4143 38.2051 177.3530 66 I 3.6531 8.2131 121.2523 64.2618 37.1900 177.8611 67 A 4.0147 8.4023 121.8214 55.6631 18.2578 179.1517 68 N 4.2065 8.2888 114.4895 56.7048 38.7002 177.4482 69 L 3.9852 7.9817 121.3700 57.9820 42.1364 179.0785 70 K 4.0159 8.8020 118.9558 59.5996 31.8825 179.1968 71 T 3.8781 8.1416 116.1964 67.2013 68.3827 176.6665 72 T 3.8347 7.8006 117.1596 66.5096 68.4575 176.7754 73 L 3.9556 8.0343 120.8474 58.0350 41.6973 179.7982 74 S 4.2161 8.2657 115.0884 61.6640 62.5915 176.7288 75 S 4.0891 8.3834 116.0902 61.4688 62.0367 176.2823 76 Q 4.3045 8.3430 121.0394 58.5130 28.4102 178.1387 77 E 3.9568 8.2724 120.5873 59.6795 29.8649 178.5424 78 T 3.8397 7.9120 115.6900 67.6316 68.6030 176.0981 79 H 4.3789 7.9595 116.0259 58.7123 28.6464 178.0171 80 L 3.8719 8.4962 121.5735 57.5160 41.4196 178.7973 81 D 4.2798 8.5272 118.6413 57.4514 41.2535 178.3298 82 S 4.1423 8.0204 113.2001 60.8555 62.2759 176.1209 83 V 3.3853 7.6422 121.4800 65.8739 31.1988 177.8445 84 S 4.0531 8.2066 114.1638 61.5986 62.5198 176.1873 85 E 3.7738 8.1422 122.8282 59.0973 29.2618 178.6091 86 S 3.7906 7.5567 113.2976 61.9130 62.9294 176.7494 87 L 4.0587 7.8755 120.9875 57.4510 41.6581 179.0443 88 K 4.0818 8.1009 119.7392 59.3776 32.1410 179.8358 89 S 4.1433 7.7373 112.8418 59.0909 62.4521 176.0846 *91 R 4.2346 8.0136 124.4331 56.5356 31.8585 177.3071 92 D 4.3269 8.2403 117.9090 57.3733 40.5884 178.2546 93 I 3.8152 7.6491 120.2224 64.9561 37.0494 178.6080 94 V 3.7432 7.7723 116.0245 65.0595 31.4406 177.4303 95 L 4.3563 7.5482 118.1150 57.0434 42.0665 178.4655 96 W 4.7755 8.6250 127.2735 58.3017 31.1043 176.6472 97 G 3.6545 8.2288 104.2744 46.2872 0.0000 175.3492 *111 I 4.3868 8.8018 120.2183 59.8815 37.1630 178.5186 112 T 4.1444 7.8447 114.0437 65.1107 66.7118 176.2657 113 E 4.0728 8.2061 120.1634 59.4639 29.4611 178.6355 114 L 4.1412 8.0582 118.8960 57.6986 41.6798 179.1961 115 K 4.0373 7.7470 115.2260 59.2049 32.2819 178.9372 116 S 3.9849 7.5852 114.1565 61.7689 62.4212 175.5243 117 Y 4.2752 7.5089 118.8959 60.9287 37.6150 178.0592 118 R 3.9300 8.3277 119.9191 59.4362 30.1358 178.1146 119 D 4.5241 8.0045 118.4902 56.5956 39.3955 178.3365 120 S 4.2796 7.8969 113.6499 60.1977 62.2759 175.5774 121 I 4.1105 7.7387 115.5788 62.7465 38.0533 177.6933 122 E 3.9511 7.9913 121.0507 59.0309 29.3215 178.4989 123 S 4.1893 7.7222 113.0371 61.9156 63.1963 176.4304 124 S 4.1436 7.3665 117.4670 61.1873 62.4104 176.9256 125 F 4.5174 7.4571 118.4811 59.7345 38.5715 176.4004 126 N 5.2365 7.9324 114.0858 52.1850 39.8788 174.9860 127 A 4.4528 7.5621 123.1379 51.9804 19.4535 177.5672 128 Q 5.3450 8.3326 116.9714 52.8733 32.9845 176.6173 129 D 4.6913 8.2258 123.0686 52.9235 40.0253 174.8780 130 E 3.7172 8.2809 113.3868 61.2004 30.1383 178.1286 131 E 3.9890 7.9613 121.0783 59.7993 30.1315 176.8655 132 G 3.1696 8.0531 107.8226 45.2765 0.0000 172.9374 133 H 4.9694 8.1728 118.3744 54.4284 29.4730 174.5627 134 F 5.0907 8.5829 121.4987 56.6218 39.8082 176.1935 135 L 4.0102 8.4656 126.7873 57.5295 41.6564 178.1259 136 F 4.8738 8.1808 115.0065 57.6122 39.1907 177.1609 137 S 4.4801 8.1513 117.1065 58.8384 64.2283 174.9066 138 G 4.1076 8.0620 108.6854 47.4409 0.0000 174.8792 139 T 4.4214 9.5384 115.5334 61.2183 69.2474 174.7174 140 K 4.4514 7.6324 122.4543 56.5778 32.6864 178.8706 141 T 4.2041 7.4980 109.5808 62.1399 66.3692 171.6835 *153 Y 4.6891 7.5816 121.9005 58.4807 39.3383 175.2970 154 V 4.4584 8.1566 123.5748 59.1248 34.3488 175.5722 155 V 3.5457 8.3839 122.8877 63.0148 31.7113 175.0670 156 E 3.9752 8.9781 129.0049 58.7216 30.1418 176.4594 157 G 4.3639 7.5967 108.3044 44.1657 0.0000 170.2785 158 N 5.0498 8.1157 117.5815 50.9216 39.7485 175.2140 159 S 4.7072 8.4449 111.9158 58.3640 62.4953 173.7535 160 D 4.7066 7.9135 118.0978 53.7947 41.6435 176.3129 161 V 4.4172 8.0277 114.8831 60.6085 33.2450 175.5822 162 R 4.7111 8.7271 121.3079 54.7904 32.2355 175.9776 163 V 4.7815 8.2403 115.3111 59.8590 35.6157 174.8658 164 V 4.4757 7.9510 119.4831 62.2095 35.0709 172.7994 165 T 4.8281 8.5923 123.9194 62.7639 68.8032 174.9733 166 V 4.2290 8.2945 119.4990 61.2976 33.1487 175.3587 167 A 3.2056 6.9454 121.0645 50.1878 21.6300 175.1103 168 K 3.9262 7.8173 121.0458 58.2797 32.0830 177.1879 169 G 3.8985 9.0570 114.8048 45.1914 0.0000 172.4283 170 V 4.2874 7.8341 120.6856 61.0153 33.3670 174.4669 171 T 5.5286 7.9279 117.3985 58.8943 71.4535 172.2417 *173 D 4.5769 8.4248 119.6606 54.9315 41.7604 175.6001 174 S 4.6432 9.3036 118.0672 58.3624 64.4891 173.4226 175 N 4.9709 7.5043 117.9296 51.0218 39.4537 173.5019 *177 T 4.3587 8.2777 106.4701 61.8391 71.0152 173.8753 178 A 3.2751 8.6864 126.9428 55.3300 17.8544 179.6844 179 Q 3.8114 7.9916 117.1224 59.5277 28.8629 178.3888 180 E 3.9655 7.6239 117.5476 59.6860 29.6371 179.3120 181 I 3.8839 7.7877 118.7149 63.9462 37.2916 177.7737 182 L 4.4297 8.0833 117.6671 54.7183 42.1215 177.3842 183 D 4.5392 7.5000 118.3581 53.7446 40.8844 174.9760 184 I 4.3129 8.7856 117.7242 59.8438 38.4126 175.2068 185 G 3.3104 7.6336 113.9487 45.9771 0.0000 174.4125 *189 N 4.4512 7.9562 118.1202 52.5732 39.7115 175.7602 190 V 3.6530 8.2498 122.7749 64.7404 30.8870 178.5453 191 L 3.7576 7.7659 119.7528 56.6049 41.5425 177.7359 192 N 4.7753 7.8860 114.6550 53.3800 37.8865 176.4961 193 Q 3.9942 7.9169 122.3623 58.6947 29.0122 177.1275 194 I 3.7879 7.4696 119.2490 62.8426 38.3513 177.2714 195 D 4.3602 7.5721 120.2809 57.1903 40.2963 178.4159 196 A 4.0945 8.1800 121.3982 54.5076 18.2301 179.2714 197 L 4.2870 7.2023 120.0555 57.0702 42.1881 178.6581 198 I 3.5623 7.7402 117.2531 63.8387 38.0481 177.2013 199 A 4.1373 7.6738 121.4574 55.1600 17.7720 178.9960 200 E 4.2085 8.2392 115.5626 58.5705 29.5556 179.3727 201 F 4.4368 8.4442 117.7810 61.0609 39.1130 177.0959 202 E 4.5344 8.3450 119.6033 58.9011 29.7758 178.1405 203 K 4.4142 7.8835 119.4885 52.3919 33.3559 175.7213 204 P 4.6807 0.0000 0.0000 61.9738 32.0142 176.2555 205 S 4.8389 8.5451 117.2117 56.0208 65.6469 172.9692 206 P 4.4841 0.0000 0.0000 64.5177 31.3113 177.1512 207 N 4.6050 8.1470 116.2060 54.2379 39.9466 176.1125 208 F 4.2123 8.1458 121.7710 61.6019 39.1888 176.8394 209 Q 4.0056 8.4973 118.0812 59.3108 28.9479 178.0383 210 A 4.0223 8.3340 121.7646 54.9611 18.1914 179.5335 211 E 3.8941 8.0516 117.2721 59.3140 29.5814 179.5257 212 V 3.4772 7.3790 118.8306 64.9260 31.2340 178.1297 213 D 4.2592 7.7864 119.5745 56.9453 40.8409 178.3547 214 A 4.1427 7.7812 119.1046 53.4632 18.3277 179.4086 215 S 3.9296 7.8696 112.7354 61.2831 62.5507 175.9196 216 L 3.9673 8.2128 122.0667 57.9569 41.2958 179.3639 217 N 4.2924 8.9547 116.6425 56.3477 38.5507 177.3659 218 A 4.0265 7.8489 121.6415 54.9419 18.1478 179.9228 219 I 3.6215 7.5281 117.7878 64.6313 37.3468 177.7564 220 D 4.5249 8.0830 118.6739 57.7797 41.0201 178.6036 221 D 4.5486 8.4877 119.5193 57.3176 40.7606 179.1308 222 T 3.9606 7.7962 115.6837 63.6040 68.6266 176.5587 *224 A 4.2632 8.0078 125.1775 52.4297 20.8314 179.7805 225 N 4.3667 8.0986 113.2026 56.2217 38.2630 177.9060 226 V 3.6088 7.8901 119.0789 66.1001 31.7790 177.6967 227 L 4.2349 7.9578 116.8965 57.8295 41.7119 179.2479 228 G 3.8399 8.3487 105.4367 47.5904 0.0000 175.6280 229 A 4.4464 7.8387 120.9028 52.7479 18.3334 179.4284 *231 T 4.2092 7.8557 119.0934 65.2870 70.8590 176.2993 232 E 3.8804 8.4385 121.5461 59.3618 29.6382 178.4896 233 I 3.7835 8.2052 120.5515 64.6983 37.1404 178.3477 234 G 3.8461 8.2699 105.7483 47.9890 0.0000 175.7669 235 G 3.6213 8.1724 108.0270 47.4588 0.0000 176.0780 236 R 3.9792 8.0546 120.3861 59.3360 29.9534 178.8590 237 H 4.1924 8.2853 116.0988 58.9427 28.7663 177.4433 238 N 4.3221 8.4787 118.5868 56.6474 38.1696 177.2667 239 N 4.3979 8.0836 116.5611 55.9350 38.6842 177.1148 240 L 4.1364 8.1218 120.1276 58.0870 42.0171 178.9165 241 D 4.5729 8.3360 118.5278 57.4503 40.6942 178.8655 242 L 3.7911 7.7078 118.8110 56.5596 42.4457 178.3650 *244 D 4.5856 8.0336 119.6721 54.2683 43.0625 177.7555 245 G 3.6491 8.3329 105.6718 47.7443 0.0000 175.5231 246 A 4.0423 7.8563 122.9904 55.2074 18.3260 179.4906 247 H 4.2359 8.0729 114.4790 59.1480 28.3349 178.0323 248 S 4.2328 8.0474 116.8221 61.3133 62.5112 176.6473 249 E 4.0276 8.3258 121.4841 59.3942 29.4470 178.6923 250 N 4.2313 8.3893 117.3512 56.6322 38.9718 176.7967 251 K 4.0640 8.3335 121.0349 59.4678 32.2122 178.8426 252 L 4.1011 7.8195 118.4348 57.2540 41.5006 178.8518 253 F 4.0051 8.0719 121.0588 61.6180 39.2530 177.3894 254 V 3.8059 8.0031 117.1906 66.2589 31.2451 177.7393 255 D 4.3603 8.1648 118.7342 57.5874 40.8008 177.6975 256 K 3.8453 8.5765 120.7191 59.1995 31.7725 178.4987 257 V 3.4707 8.1566 120.7588 66.2410 31.9239 178.3449 258 S 4.3811 8.3143 114.8839 61.8277 62.6112 177.0807 259 G 3.7263 8.0216 105.8067 46.9573 0.0000 174.5630 260 D 4.5679 7.6910 119.3355 55.3710 41.1967 176.3475 261 L 4.2567 7.5197 123.5792 54.7419 41.8236 176.1975 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 42 D 8.22 4.59 0.00 2.69 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 43 P 0.00 3.71 0.00 2.29 2.07 0.00 3.68 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 2.14 0.00 *45 A 8.30 4.25 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 S 8.10 4.09 0.00 3.95 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 I 7.54 3.69 1.87 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 1.41 0.44 0.92 0.00 0.00 48 K 8.20 3.79 0.00 1.87 2.02 0.00 1.62 0.00 0.00 1.76 0.00 0.00 3.01 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.52 1.60 7.81 49 L 8.01 3.90 0.00 1.96 1.80 0.92 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 50 L 7.85 3.95 0.00 1.96 1.75 0.92 0.50 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 51 N 8.53 4.38 0.00 2.87 2.88 0.00 0.00 7.09 6.74 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 52 L 7.93 4.02 0.00 1.92 1.75 0.95 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 53 E 8.20 3.96 0.00 2.19 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 2.33 2.32 0.00 54 R 7.86 3.83 0.00 1.91 2.10 0.00 3.11 0.00 0.00 3.10 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.63 0.00 55 E 8.43 3.95 0.00 2.14 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 2.36 2.38 0.00 56 N 8.12 4.31 0.00 3.17 2.94 0.00 0.00 6.86 7.74 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 57 S 8.32 4.09 0.00 3.90 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 58 A 8.00 3.73 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 59 I 7.70 3.72 2.06 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 1.60 0.79 0.98 0.00 0.00 60 A 8.02 4.00 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 61 Q 7.82 3.78 0.00 2.17 1.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.75 0.00 0.00 0.00 0.00 0.00 2.19 2.28 0.00 62 Y 7.62 4.26 0.00 2.80 2.99 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 63 Q 8.21 4.07 0.00 2.12 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.76 0.00 0.00 0.00 0.00 0.00 2.39 2.59 0.00 64 S 8.17 4.07 0.00 3.97 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 65 N 8.37 4.33 0.00 3.05 2.91 0.00 0.00 7.11 7.63 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 66 I 8.21 3.65 2.04 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 1.49 0.95 0.94 0.00 0.00 67 A 8.40 4.01 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 N 8.29 4.21 0.00 2.83 2.89 0.00 0.00 6.76 6.34 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 69 L 7.98 3.99 0.00 1.80 1.94 0.90 0.71 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 70 K 8.80 4.02 0.00 1.99 1.91 0.00 1.77 0.00 0.00 1.68 0.00 0.00 2.96 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.55 1.66 7.81 71 T 8.14 3.88 4.43 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 1.20 0.00 0.00 72 T 7.80 3.83 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 1.15 0.00 0.00 73 L 8.03 3.96 0.00 1.63 1.63 0.78 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 74 S 8.27 4.22 0.00 4.16 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 75 S 8.38 4.09 0.00 3.95 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 76 Q 8.34 4.30 0.00 2.33 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.58 0.00 0.00 0.00 0.00 0.00 1.79 2.33 0.00 77 E 8.27 3.96 0.00 2.26 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.39 0.00 78 T 7.91 3.84 4.34 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 1.11 0.00 0.00 79 H 7.96 4.38 0.00 3.51 3.33 0.00 5.62 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 L 8.50 3.87 0.00 1.85 1.72 1.09 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 81 D 8.53 4.28 0.00 2.90 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 82 S 8.02 4.14 0.00 3.97 3.94 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 83 V 7.64 3.39 1.98 0.00 0.00 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0.00 2.25 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.60 0.00 123 S 7.72 4.19 0.00 4.10 4.09 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 0.00 124 S 7.37 4.14 0.00 3.62 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 0.00 125 F 7.46 4.52 0.00 2.96 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 0.00 126 N 7.93 5.24 0.00 2.87 3.03 0.00 0.00 6.99 6.62 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 0.00 127 A 7.56 4.45 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 0.00 128 Q 8.33 5.35 0.00 1.82 1.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.87 0.00 0.00 0.00 0.00 0.00 1.19 1.80 0.00 129 D 8.23 4.69 0.00 2.74 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 0.00 130 E 8.28 3.72 0.00 1.93 1.92 0.00 0.00 0.00 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0.00 0.00 0.00 0.00 1.32 0.80 0.88 0.00 0.00 185 G 7.63 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 0.00 0.00 0.00 *189 N 7.96 4.45 0.00 2.93 2.73 0.00 0.00 6.91 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 0.00 190 V 8.25 3.65 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 0.94 0.00 0.00 0.88 0.00 0.00 191 L 7.77 3.76 0.00 1.34 0.50 0.34 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 192 N 7.89 4.78 0.00 3.07 3.30 0.00 0.00 5.91 7.25 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 0.00 193 Q 7.92 3.99 0.00 2.19 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.73 0.00 0.00 0.00 0.00 0.00 2.40 2.36 0.00 194 I 7.47 3.79 1.91 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 1.41 1.34 0.92 0.00 0.00 195 D 7.57 4.36 0.00 3.10 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 0.00 196 A 8.18 4.09 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 197 L 7.20 4.29 0.00 1.57 1.47 0.73 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 198 I 7.74 3.56 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 1.50 0.99 1.02 0.00 0.00 199 A 7.67 4.14 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 200 E 8.24 4.21 0.00 2.19 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.72 2.58 0.00 201 F 8.44 4.44 0.00 3.13 3.18 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 0.00 202 E 8.35 4.53 0.00 2.18 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.60 0.00 203 K 7.88 4.41 0.00 1.72 1.57 0.00 1.85 0.00 0.00 1.70 0.00 0.00 2.90 0.00 0.00 2.64 0.00 0.00 0.00 0.00 1.26 1.03 7.81 204 P 0.00 4.68 0.00 1.78 1.39 0.00 3.58 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 1.75 1.74 0.00 205 S 8.55 4.84 0.00 4.19 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 206 P 0.00 4.48 0.00 2.06 2.11 0.00 3.70 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 2.04 2.07 0.00 207 N 8.15 4.61 0.00 2.84 3.00 0.00 0.00 6.78 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 0.00 208 F 8.15 4.21 0.00 3.31 3.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 209 Q 8.50 4.01 0.00 2.39 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.67 0.00 0.00 0.00 0.00 0.00 2.50 2.54 0.00 210 A 8.33 4.02 1.45 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 0.00 0.00 211 E 8.05 3.89 0.00 2.07 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 2.38 2.57 0.00 212 V 7.38 3.48 1.84 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 0.93 0.00 0.00 0.83 0.00 0.00 213 D 7.79 4.26 0.00 2.64 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 0.00 214 A 7.78 4.14 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 0.00 215 S 7.87 3.93 0.00 4.07 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 0.00 216 L 8.21 3.97 0.00 1.79 1.70 0.93 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 217 N 8.95 4.29 0.00 2.67 2.85 0.00 0.00 6.92 7.97 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 0.00 218 A 7.85 4.03 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 0.00 219 I 7.53 3.62 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 1.47 0.67 0.90 0.00 0.00 220 D 8.08 4.52 0.00 2.72 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 0.00 221 D 8.49 4.55 0.00 2.64 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 T 7.80 3.96 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 1.25 0.00 0.00 *224 A 8.01 4.26 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 0.00 225 N 8.10 4.37 0.00 2.97 2.89 0.00 0.00 6.69 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 0.00 226 V 7.89 3.61 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 0.85 0.00 0.00 1.05 0.00 0.00 227 L 7.96 4.23 0.00 1.79 1.73 0.91 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 228 G 8.35 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 0.00 229 A 7.84 4.45 1.47 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 *231 T 7.86 4.21 4.43 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 1.22 0.00 0.00 232 E 8.44 3.88 0.00 2.14 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 2.32 2.36 0.00 233 I 8.21 3.78 1.91 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 1.48 0.70 0.92 0.00 0.00 234 G 8.27 3.85 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 0.00 0.00 0.00 235 G 8.17 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 236 R 8.05 3.98 0.00 1.98 1.95 0.00 3.14 0.00 0.00 3.16 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.66 0.00 237 H 8.29 4.19 0.00 3.38 3.33 0.00 5.63 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 238 N 8.48 4.32 0.00 2.85 2.88 0.00 0.00 7.10 7.18 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 0.00 239 N 8.08 4.40 0.00 2.81 2.86 0.00 0.00 7.09 7.13 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 0.00 240 L 8.12 4.14 0.00 1.75 1.76 0.91 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 241 D 8.34 4.57 0.00 2.85 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 0.00 242 L 7.71 3.79 0.00 1.86 1.71 0.95 0.71 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 *244 D 8.03 4.59 0.00 2.83 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 0.00 245 G 8.33 3.65 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 0.00 0.00 0.00 246 A 7.86 4.04 1.22 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 0.00 0.00 247 H 8.07 4.24 0.00 3.48 3.37 0.00 5.62 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 248 S 8.05 4.23 0.00 4.09 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 249 E 8.33 4.03 0.00 2.15 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 2.35 2.61 0.00 250 N 8.39 4.23 0.00 2.82 2.99 0.00 0.00 6.91 6.80 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 0.00 251 K 8.33 4.06 0.00 2.09 1.84 0.00 1.71 0.00 0.00 1.68 0.00 0.00 3.19 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.48 1.51 7.81 252 L 7.82 4.10 0.00 1.84 1.74 0.97 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 253 F 8.07 4.01 0.00 3.14 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 0.00 254 V 8.00 3.81 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 1.13 0.00 0.00 1.08 0.00 0.00 255 D 8.16 4.36 0.00 2.93 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 0.00 256 K 8.58 3.85 0.00 1.88 1.58 0.00 1.53 0.00 0.00 1.54 0.00 0.00 3.07 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.38 1.50 7.81 257 V 8.16 3.47 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 0.85 0.00 0.00 0.50 0.00 0.00 258 S 8.31 4.38 0.00 4.09 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 0.00 259 G 8.02 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 0.00 260 D 7.69 4.57 0.00 2.79 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 0.00 261 L 7.52 4.26 0.00 1.76 1.56 0.96 1.11 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 * Residues marked with a * may have inaccurate shift predictions.