NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 78 S 4.5293 8.2929 119.0097 58.6452 64.5059 172.9744 *79 F 4.6559 8.5489 126.2582 53.6673 40.8539 169.4002 80 I 4.1462 9.3130 127.2851 59.2319 40.2099 174.3337 81 Y 4.0841 8.4072 126.9319 56.0610 37.2360 174.1544 82 E 3.8881 8.7976 123.4857 56.2691 29.6571 175.8036 83 P 4.8436 0.0000 0.0000 63.6748 32.2710 176.0105 84 F 4.9203 7.0486 114.0609 55.5199 39.7770 175.2926 85 Q 3.8542 8.1442 120.8400 54.4756 29.9979 175.5624 86 I 3.7881 8.2076 122.9427 61.1169 37.3136 175.6354 87 P 4.2327 0.0000 0.0000 63.9254 31.8188 175.6008 88 S 4.6993 7.6733 111.6819 56.4839 66.0127 173.4916 89 G 3.8491 8.2809 105.8566 45.2255 0.0000 175.4756 90 S 4.4247 7.6281 114.3907 59.6771 63.1733 175.3425 91 M 4.6039 7.6230 120.0100 55.1765 32.2949 175.4470 92 M 4.4482 7.7250 118.6668 54.5082 32.3434 174.6440 93 P 4.4029 0.0000 0.0000 62.9587 32.3313 176.7765 94 T 3.9997 7.9754 116.4691 66.2600 68.5875 174.2764 95 L 4.8600 8.0574 120.9292 52.6934 44.6972 175.7274 96 L 4.6116 9.3744 123.3083 52.2196 44.4228 176.1303 97 I 3.8779 7.9422 121.9903 63.1639 37.4132 176.5907 98 G 4.3628 8.6881 112.6786 45.4950 0.0000 172.9176 99 D 4.8957 7.9126 120.2294 53.9768 42.7058 175.2412 100 F 4.9159 9.5203 121.3785 55.5735 41.5816 174.8091 101 I 5.1296 8.4224 115.8335 59.0949 41.2461 173.9195 102 L 4.7110 8.9649 126.7145 53.7913 43.5491 175.1436 103 V 4.8740 8.7426 127.5960 60.9709 34.2204 173.7972 104 E 4.9010 8.7084 129.1057 54.1263 31.1630 176.5361 105 K 4.4792 8.4282 127.9718 54.6391 32.0850 173.7706 106 F 4.4807 8.6519 119.9186 59.4114 39.7801 175.6010 107 A 4.5869 7.6751 124.6174 51.7838 18.8383 175.9097 *124 H 4.0023 7.7808 117.2207 52.9701 30.0258 173.7488 125 P 4.5178 0.0000 0.0000 62.5305 31.9955 175.7276 126 K 4.6961 8.9269 118.7548 54.1119 34.6766 176.3571 127 R 4.2807 8.4222 120.2431 58.2784 30.2808 177.5169 128 G 4.0427 9.4246 111.8149 45.0147 0.0000 173.4170 129 D 4.5742 8.1318 120.6928 54.2908 42.3337 175.8841 130 I 4.4367 8.4697 123.8154 60.9456 38.3239 174.6673 131 V 4.8989 9.0837 128.4643 61.0962 34.0294 174.4834 132 V 4.9227 8.9090 128.3191 61.8434 33.3990 174.7157 133 F 5.4794 8.9978 121.9983 55.9260 42.2079 172.7024 134 K 4.8819 8.9418 119.1418 54.6860 33.3841 176.0857 135 Y 3.6917 8.3923 127.0648 57.7621 39.0899 174.9020 136 P 4.0532 0.0000 0.0000 65.8202 31.5812 177.7259 137 E 3.7896 6.6652 115.2200 58.8060 29.7746 176.9869 138 D 4.6241 7.1716 117.7967 51.1214 41.2902 173.5755 139 P 4.4954 0.0000 0.0000 63.7331 31.5459 178.5028 140 K 4.1173 7.9859 118.1502 58.4174 32.4333 176.7385 141 L 4.7868 7.7427 118.3725 52.9139 44.7863 175.1123 142 D 5.2659 8.3784 121.0810 53.0213 42.7066 175.5437 143 Y 4.3336 8.5121 121.3545 56.1884 41.3045 174.9142 144 I 5.1618 8.0005 120.3557 59.9300 40.4674 174.9743 145 K 4.8121 9.2664 125.4256 55.1107 37.7237 174.8261 146 R 4.9418 8.9759 121.6498 54.8371 31.9106 175.1220 147 A 4.3926 9.0326 128.9521 52.3818 18.1956 177.4647 148 V 3.9624 8.9648 122.7640 64.7726 33.0932 176.6767 149 G 4.3285 8.2039 106.8217 44.3260 0.0000 172.4198 150 L 4.9824 9.8110 124.8655 51.6990 45.0521 174.2068 151 P 4.2828 0.0000 0.0000 64.8090 31.5995 176.2164 152 G 4.0275 9.2863 111.7701 45.2912 0.0000 173.2328 153 D 4.8094 8.2162 120.2119 54.4406 42.2368 175.6440 154 K 4.6070 8.9044 124.8535 55.1388 33.8588 174.9729 155 V 4.7727 9.3744 129.5737 61.5089 33.7754 174.4314 156 T 5.0837 8.9543 124.2172 61.8856 71.8897 172.0915 157 Y 5.2432 9.1134 127.9177 55.9197 41.0300 174.3913 158 D 4.4821 8.7623 127.7095 52.3959 41.5056 175.0730 159 P 4.1621 0.0000 0.0000 65.5689 31.7941 178.4678 160 V 3.7103 7.8943 117.4857 65.4871 31.4713 177.0678 161 S 4.2471 7.9701 111.3635 57.8351 63.9196 173.5242 162 K 3.4349 7.7863 119.8477 57.8966 29.6258 174.9507 163 E 4.5783 7.1649 116.2498 54.4830 33.7228 176.3462 164 L 5.4052 10.2533 122.9889 53.8794 44.2646 176.2593 165 T 4.7592 8.9215 117.4842 61.9859 72.6608 172.9508 166 I 4.8779 8.5065 126.1921 59.6529 40.7402 174.3761 167 Q 4.8687 8.8428 126.3117 52.2010 30.6743 173.6248 168 P 4.7754 0.0000 0.0000 61.3410 32.3659 176.4135 169 G 3.9203 8.3041 107.5781 47.3635 0.0000 171.8116 170 C 5.0885 8.9780 116.5253 55.6989 45.5028 174.3231 *171 S 4.8619 8.6509 118.2566 57.6015 60.6048 173.3481 *172 S 4.4658 8.7030 115.8863 59.7160 60.3327 172.8054 173 G 4.0759 7.8379 118.3279 46.6107 0.0000 172.9340 *174 Q 4.5418 8.2224 114.0269 53.1056 30.1516 169.0358 175 A 4.1789 8.4054 133.6905 49.2146 25.4121 177.5219 176 C 4.5802 9.2665 114.5691 57.3115 38.8948 176.0755 *177 E 4.0693 7.6152 115.1977 58.9156 29.9702 179.9014 178 N 4.3406 8.1500 116.4435 53.4606 39.1242 174.1767 179 A 4.9576 8.3324 124.3964 50.1061 22.0777 175.2179 180 L 4.5691 8.9759 124.0855 52.7164 42.1883 174.7100 181 P 4.2916 0.0000 0.0000 63.5235 32.2168 175.2451 182 V 5.0711 8.7444 123.3328 60.5027 33.4675 174.2442 183 T 4.6809 8.2114 118.5275 60.2047 71.3059 172.9408 184 Y 5.2782 8.5115 121.5649 56.3041 40.7816 175.9885 185 S 4.6334 8.7738 119.2395 57.4313 65.1281 173.4221 186 N 4.6153 8.5801 116.7791 53.2983 39.1380 175.4712 187 V 4.2071 8.3423 122.6931 62.7610 32.2741 174.9786 188 E 5.0005 9.2089 125.8793 53.4299 33.2067 173.4646 189 P 4.7638 0.0000 0.0000 63.1180 32.2595 176.4004 190 S 4.8604 8.9516 117.2297 57.0919 64.8625 173.4344 191 D 4.6083 8.4268 117.5960 54.5813 41.5427 176.1848 192 F 5.5309 8.7482 118.7426 55.5898 42.6694 174.2928 193 V 4.9856 9.1429 122.1411 61.2128 34.5218 173.7702 194 Q 5.0661 9.3960 129.0747 54.7053 31.3426 174.0653 195 T 4.9247 8.6024 122.6562 61.8343 71.5804 173.3448 196 F 5.2328 8.8952 123.7469 56.4189 41.7921 174.9346 197 S 4.8061 9.2283 118.4533 57.8020 67.7834 174.3898 198 R 4.4995 8.7006 124.0581 57.1111 29.9164 178.4180 *199 R 4.6874 8.6098 122.1367 56.7904 31.3129 175.8731 *200 N 4.8170 8.5707 113.1373 53.6508 39.4516 172.1412 201 G 4.3302 9.4730 102.3492 46.5306 0.0000 172.8665 202 G 3.9157 8.3495 117.4200 44.6904 0.0000 173.2058 *203 E 3.2559 8.5685 114.0837 57.0045 28.9066 179.7466 204 A 4.2334 9.0498 117.2235 54.7671 16.5835 176.8978 205 T 4.8608 8.7627 114.8001 61.9162 71.6931 171.9968 206 S 4.7039 8.0415 117.9211 57.5124 65.6562 173.7371 207 G 3.9323 8.5806 107.0278 44.2829 0.0000 171.4917 208 F 5.5118 8.0491 118.8006 55.4527 41.6668 175.1901 209 F 4.8616 9.5065 121.0930 55.6036 42.7981 173.7790 210 E 4.2837 9.2230 125.1388 55.8708 29.7138 175.5475 211 V 4.5145 8.3290 128.3071 59.8666 33.7802 173.7215 212 P 4.2980 0.0000 0.0000 62.8280 31.5993 177.2433 213 K 3.9223 8.7041 120.3365 59.6619 32.1178 178.1937 214 N 4.4143 8.0839 114.6742 54.7563 37.6030 174.7138 215 E 4.5441 7.6279 118.6273 55.1248 31.4057 175.1104 216 T 4.5819 7.8838 108.6922 60.1878 71.5095 172.9991 217 K 4.2573 8.4567 126.3466 54.4196 33.2326 175.6605 218 E 3.7980 8.5959 127.3914 57.4114 29.9943 171.7754 219 N 4.2813 9.1065 131.5290 53.1695 38.6275 173.1843 220 G 4.0785 8.4621 108.0910 43.7764 0.0000 172.3056 221 I 4.6190 8.8248 119.7798 58.7485 40.9741 174.3896 222 R 4.6255 8.7186 129.9228 56.3262 30.6918 175.7329 223 L 4.6100 9.1988 126.9845 54.4566 43.5977 176.4565 224 S 5.2358 8.8046 118.1260 57.6883 64.8411 172.8879 225 E 5.7533 9.6651 119.0001 54.3440 33.6547 174.1517 226 R 4.5064 8.2685 114.7505 55.7119 32.7900 173.3499 227 K 4.8753 9.3047 119.7999 55.1964 34.4730 175.4771 228 E 4.5806 9.3518 124.7159 54.5768 32.8845 174.4285 229 T 4.8552 8.6280 124.2406 61.9782 70.9099 173.1718 230 L 4.6268 9.0710 128.0875 54.5573 43.9062 178.0880 231 G 3.9473 8.5609 114.8163 46.7020 0.0000 173.5806 232 D 4.9058 9.4289 116.7655 52.4126 40.6174 175.7287 233 V 4.4953 8.6189 120.9371 60.6318 33.6014 174.6985 234 T 5.2520 8.5161 121.1229 62.1256 71.3369 172.7626 235 H 4.7835 8.7595 119.8008 55.1136 32.6013 172.5313 236 R 5.4593 8.7294 117.8875 54.4092 32.4117 175.6731 237 I 4.9087 8.0475 111.9900 59.7800 41.1253 173.6478 238 L 5.4620 8.7485 122.8053 53.3273 45.1267 175.7416 239 T 4.9153 8.9276 111.1863 60.0806 72.9560 172.9291 240 V 4.5332 10.0696 124.4010 61.0209 32.5030 174.4194 241 P 4.2202 0.0000 0.0000 65.6893 31.2481 177.3854 242 I 4.0982 7.7637 107.2558 60.8321 38.2305 175.0505 243 A 4.7594 7.8291 124.6250 50.9673 20.7604 176.3986 244 Q 4.5888 8.2487 120.3852 54.4432 32.1729 174.3462 245 D 4.5540 8.9480 125.0372 55.0448 41.5860 176.5267 246 Q 4.3326 8.4757 121.7475 54.2137 28.8741 176.4807 247 V 2.6332 8.2129 124.2452 65.6754 31.5857 178.4713 248 G 3.7509 7.9176 106.0587 47.8538 0.0000 173.6455 249 M 4.4502 8.3201 118.5486 56.0851 32.6389 176.0561 250 Y 4.8061 7.7227 116.7361 57.8843 39.0775 174.8721 251 Y 4.4788 9.0819 123.4675 57.6219 40.0876 173.8506 252 Q 4.3271 8.3662 128.3262 54.1307 30.5642 174.6994 253 Q 4.0042 8.3449 128.1891 54.0388 29.7520 173.2652 254 P 4.3211 0.0000 0.0000 64.7121 31.3790 176.5788 255 G 3.9686 9.1210 110.9735 45.0032 0.0000 172.9124 256 Q 4.5603 7.6506 120.3754 54.3680 31.3837 176.3044 257 Q 4.1705 8.0646 118.7971 54.1411 29.0379 175.9548 258 L 3.9233 8.0002 118.1618 57.0259 42.1209 177.8192 259 A 3.6250 8.6641 123.9478 51.9806 16.3728 177.1369 260 T 4.7586 6.2701 111.4078 61.4283 71.8358 173.7263 261 W 5.4093 9.6087 124.5443 55.1261 34.1301 174.1313 262 I 4.9357 9.8633 125.2015 59.2546 38.8313 175.7326 263 V 3.1726 8.7398 129.1052 62.0654 32.1877 173.9829 264 P 4.5543 0.0000 0.0000 61.5616 32.8153 174.0559 265 P 4.0271 0.0000 0.0000 64.0542 31.8159 176.6763 266 G 3.8674 8.7380 109.1651 46.3785 0.0000 172.4463 267 Q 5.1462 7.2629 116.8560 54.1134 33.1480 174.0719 268 Y 4.9941 8.8968 116.2921 56.5746 42.9639 174.2934 269 F 4.7221 9.2488 125.1045 57.1465 41.2272 174.3008 270 M 5.1352 8.7756 127.0120 53.9439 34.9059 174.9864 271 M 5.0590 8.8940 121.0510 53.7386 36.9677 174.5193 272 G 4.2906 8.6167 109.2961 44.5487 0.0000 173.8952 273 D 4.5227 8.7175 121.8423 56.8579 42.2700 175.7098 274 N 5.1061 8.4588 119.6412 51.6841 36.7077 175.6741 275 R 3.9376 8.2540 120.5964 58.6699 30.7570 177.4892 276 D 4.9662 8.1180 113.8316 54.3396 41.6766 175.7699 277 N 5.1800 8.2857 117.2682 52.1501 39.6706 175.0331 278 S 4.4930 7.8721 112.4795 56.9166 64.9531 172.4623 279 A 4.6950 8.6836 132.3919 51.0325 17.9002 175.3343 280 D 4.6192 7.8430 124.1100 52.2206 42.0069 176.9442 281 S 3.2594 6.4868 111.9442 60.8113 62.8007 176.9536 282 R 2.7965 6.7257 118.4909 58.0689 29.8095 177.8407 283 Y 4.4353 7.3919 114.4576 58.0075 39.4454 176.4706 284 W 4.6623 7.3482 113.1523 55.7181 29.3412 176.0411 285 G 2.8312 7.4551 107.0096 44.1946 0.0000 172.9508 286 F 4.9741 7.8345 116.9573 56.7120 41.0615 175.6000 287 V 4.4208 8.6582 121.0257 60.3848 33.2307 173.2966 288 P 4.8627 0.0000 0.0000 62.5700 32.3036 176.9549 289 E 4.0016 9.6119 123.6443 59.6163 29.8133 179.3333 290 A 4.1741 8.0260 120.4440 55.1343 18.7705 178.1042 291 N 4.6233 8.4213 112.2273 54.8447 38.9144 175.4515 292 L 4.5737 7.3876 117.8006 55.0511 42.1062 175.9991 293 V 4.2020 8.7729 121.2763 63.3007 33.9279 175.4263 294 G 3.4676 7.0540 103.7566 46.0510 0.0000 170.6555 295 R 5.0659 7.2593 119.5878 54.2856 32.5960 175.7694 296 A 4.8634 8.9322 129.3358 51.8530 18.6018 177.0089 297 T 4.4078 8.6422 112.7857 63.0606 71.0954 174.1291 298 A 4.7585 7.4734 122.2720 51.6434 23.1040 174.5673 299 I 5.3398 8.8985 119.9355 58.8659 39.2272 176.7306 300 W 4.9083 8.7656 123.4699 55.9633 29.1347 175.6900 301 M 4.2076 7.0641 118.9353 55.4902 34.9080 173.4274 302 S 5.1970 8.0077 118.5893 56.9140 66.2994 172.2224 303 F 5.4869 9.2793 128.1948 57.0645 42.9332 173.5313 304 D 4.0233 7.5892 128.3629 54.5600 44.2880 177.9420 *313 G 3.8352 7.3806 106.8350 44.9890 0.0000 172.1016 314 L 4.8837 7.8934 121.9333 54.5146 43.5549 176.9059 315 R 4.7144 8.4931 123.7395 54.4877 29.8052 176.5669 316 L 4.1731 7.7771 120.1529 57.0913 42.4254 179.9795 317 S 4.2383 7.9791 112.2795 60.6353 63.2324 175.3317 318 R 4.1976 7.7812 118.8544 57.3597 30.2444 176.8875 319 I 4.0194 7.2341 119.9562 60.3071 37.5500 176.0593 320 G 4.2996 8.5654 112.1681 43.0192 0.0000 172.3504 321 G 4.2552 8.0725 107.8878 46.4448 0.0000 172.7501 322 I 5.0868 8.5625 114.0852 59.6628 41.3994 174.9433 323 H 4.4631 8.4427 117.0046 56.3145 27.5001 173.5384 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 78 S 8.29 4.53 0.00 3.44 3.86 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 *79 F 8.55 4.66 0.00 2.09 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 0.00 0.00 0.00 80 I 9.31 4.15 1.83 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 1.23 1.29 0.89 0.00 0.00 81 Y 8.41 4.08 0.00 2.22 1.43 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 82 E 8.80 3.89 0.00 1.74 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 2.33 2.20 0.00 83 P 0.00 4.84 0.00 2.32 2.28 0.00 3.58 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.01 0.00 84 F 7.05 4.92 0.00 3.04 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 85 Q 8.14 3.85 0.00 1.93 1.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.96 7.12 0.00 0.00 0.00 0.00 0.00 1.16 2.07 0.00 86 I 8.21 3.79 1.94 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 1.52 1.03 0.84 0.00 0.00 87 P 0.00 4.23 0.00 1.98 1.99 0.00 3.51 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.63 0.00 88 S 7.67 4.70 0.00 3.86 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 89 G 8.28 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 90 S 7.63 4.42 0.00 4.07 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 91 M 7.62 4.60 0.00 1.99 2.01 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.56 0.00 92 M 7.73 4.45 0.00 1.36 1.52 0.00 0.00 0.00 0.00 0.00 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 1.86 0.00 93 P 0.00 4.40 0.00 2.31 2.21 0.00 3.77 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 1.96 2.04 0.00 94 T 7.98 4.00 4.37 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 1.18 0.00 0.00 95 L 8.06 4.86 0.00 1.63 1.44 0.91 0.85 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 96 L 9.37 4.61 0.00 1.54 1.41 1.03 -0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 97 I 7.94 3.88 1.77 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 1.28 0.42 0.84 0.00 0.00 98 G 8.69 4.36 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 0.00 99 D 7.91 4.90 0.00 2.63 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 0.00 0.00 0.00 0.00 100 F 9.52 4.92 0.00 2.12 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 0.00 0.00 0.00 101 I 8.42 5.13 1.93 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.98 0.95 0.00 0.00 102 L 8.96 4.71 0.00 1.56 1.49 0.71 -0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 103 V 8.74 4.87 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 0.93 0.00 0.00 0.94 0.00 0.00 104 E 8.71 4.90 0.00 2.09 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 2.09 1.92 0.00 105 K 8.43 4.48 0.00 1.56 1.65 0.00 1.70 0.00 0.00 1.39 0.00 0.00 2.89 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.36 0.89 7.81 106 F 8.65 4.48 0.00 3.08 3.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 A 7.68 4.59 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 *124 H 7.78 4.00 0.00 2.97 2.91 0.00 7.21 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 P 0.00 4.52 0.00 1.96 1.85 0.00 3.05 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.93 0.00 126 K 8.93 4.70 0.00 1.84 1.76 0.00 1.72 0.00 0.00 1.68 0.00 0.00 2.92 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.38 1.41 7.81 127 R 8.42 4.28 0.00 1.84 1.93 0.00 3.22 0.00 0.00 3.27 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.69 0.00 128 G 9.42 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 0.00 129 D 8.13 4.57 0.00 2.81 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 0.00 130 I 8.47 4.44 1.90 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 1.23 0.78 0.94 0.00 0.00 131 V 9.08 4.90 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 1.20 0.00 0.00 1.08 0.00 0.00 132 V 8.91 4.92 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 1.12 0.00 0.00 1.00 0.00 0.00 133 F 9.00 5.48 0.00 3.22 3.13 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 0.00 134 K 8.94 4.88 0.00 1.68 1.94 0.00 1.77 0.00 0.00 1.65 0.00 0.00 2.70 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.52 1.54 7.81 135 Y 8.39 3.69 0.00 2.24 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 0.00 136 P 0.00 4.05 0.00 1.63 1.94 0.00 2.98 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 1.87 2.05 0.00 137 E 6.67 3.79 0.00 1.16 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 1.99 1.54 0.00 138 D 7.17 4.62 0.00 2.70 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 0.00 139 P 0.00 4.50 0.00 2.20 2.13 0.00 3.75 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.96 0.00 140 K 7.99 4.12 0.00 2.07 1.91 0.00 1.54 0.00 0.00 1.70 0.00 0.00 3.57 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.47 1.45 7.81 141 L 7.74 4.79 0.00 1.71 1.52 0.85 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 142 D 8.38 5.27 0.00 2.29 2.42 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 0.00 143 Y 8.51 4.33 0.00 1.43 2.36 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 0.00 144 I 8.00 5.16 1.86 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.49 0.96 0.00 0.00 145 K 9.27 4.81 0.00 1.92 1.91 0.00 1.79 0.00 0.00 1.75 0.00 0.00 3.23 0.00 0.00 3.38 0.00 0.00 0.00 0.00 1.96 2.02 7.81 146 R 8.98 4.94 0.00 1.81 1.90 0.00 3.00 0.00 0.00 3.08 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.65 0.00 147 A 9.03 4.39 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 0.00 148 V 8.96 3.96 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 0.89 0.00 0.00 1.01 0.00 0.00 149 G 8.20 4.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 150 L 9.81 4.98 0.00 1.52 1.53 0.97 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 151 P 0.00 4.28 0.00 1.86 1.82 0.00 3.41 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 1.68 1.80 0.00 152 G 9.29 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 0.00 153 D 8.22 4.81 0.00 2.70 2.62 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 0.00 154 K 8.90 4.61 0.00 1.82 1.79 0.00 1.58 0.00 0.00 1.80 0.00 0.00 2.76 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.35 1.35 7.81 155 V 9.37 4.77 1.76 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 0.63 0.00 0.00 0.84 0.00 0.00 156 T 8.95 5.08 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 1.20 0.00 0.00 157 Y 9.11 5.24 0.00 3.11 3.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 158 D 8.76 4.48 0.00 2.61 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 0.00 159 P 0.00 4.16 0.00 2.05 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0.00 0.00 0.00 7.53 6.86 0.00 0.00 0.00 0.00 0.00 2.39 2.14 0.00 168 P 0.00 4.78 0.00 1.93 1.99 0.00 4.01 0.00 0.00 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 1.95 0.00 169 G 8.30 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 0.00 0.00 0.00 170 C 8.98 5.09 0.00 3.09 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 *171 S 8.65 4.86 0.00 3.71 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 *172 S 8.70 4.47 0.00 3.62 3.74 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 0.00 173 G 7.84 4.08 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *174 Q 8.22 4.54 0.00 2.03 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.92 0.00 0.00 0.00 0.00 0.00 2.18 1.92 0.00 175 A 8.41 4.18 1.17 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 0.00 0.00 176 C 9.27 4.58 0.00 3.09 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 *177 E 7.62 4.07 0.00 1.89 1.86 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 2.26 2.15 0.00 178 N 8.15 4.34 0.00 2.74 2.79 0.00 0.00 6.61 7.54 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 0.00 179 A 8.33 4.96 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 0.00 180 L 8.98 4.57 0.00 1.66 1.63 0.93 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 181 P 0.00 4.29 0.00 2.15 2.20 0.00 3.69 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 1.99 0.00 182 V 8.74 5.07 2.27 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 0.91 0.00 0.00 1.02 0.00 0.00 183 T 8.21 4.68 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 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0.00 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 G 9.47 4.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 202 G 8.35 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 0.00 0.00 0.00 *203 E 8.57 3.26 0.00 2.11 1.76 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 2.18 2.11 0.00 204 A 9.05 4.23 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 205 T 8.76 4.86 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 1.27 0.00 0.00 206 S 8.04 4.70 0.00 3.03 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 0.00 207 G 8.58 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 0.00 0.00 0.00 208 F 8.05 5.51 0.00 2.76 2.82 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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1.59 0.87 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 259 A 8.66 3.63 1.49 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 0.00 0.00 260 T 6.27 4.76 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 1.14 0.00 0.00 261 W 9.61 5.41 0.00 3.01 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 0.00 262 I 9.86 4.94 1.91 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 1.13 0.63 0.88 0.00 0.00 263 V 8.74 3.17 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 0.59 0.00 0.00 1.12 0.00 0.00 264 P 0.00 4.55 0.00 1.96 1.95 0.00 2.20 0.00 0.00 2.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.48 0.00 265 P 0.00 4.03 0.00 1.99 1.96 0.00 3.70 0.00 0.00 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 2.01 0.00 266 G 8.74 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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3.17 0.00 0.00 7.01 6.13 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 0.00 292 L 7.39 4.57 0.00 1.85 1.88 0.55 0.66 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 0.00 293 V 8.77 4.20 2.28 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 0.98 0.00 0.00 1.00 0.00 0.00 294 G 7.05 3.47 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 0.00 295 R 7.26 5.07 0.00 1.64 1.60 0.00 3.51 0.00 0.00 3.34 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.71 0.00 296 A 8.93 4.86 1.25 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 0.00 0.00 0.00 297 T 8.64 4.41 4.22 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 1.17 0.00 0.00 298 A 7.47 4.76 1.30 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 0.00 0.00 299 I 8.90 5.34 2.09 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 0.93 2.01 1.00 0.00 0.00 300 W 8.77 4.91 0.00 3.66 3.24 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 0.00 301 M 7.06 4.21 0.00 0.71 1.12 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 1.67 0.00 302 S 8.01 5.20 0.00 3.95 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 0.00 303 F 9.28 5.49 0.00 3.15 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 0.00 304 D 7.59 4.02 0.00 2.47 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *313 G 7.38 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 0.00 314 L 7.89 4.88 0.00 1.72 1.64 1.05 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 315 R 8.49 4.71 0.00 1.90 1.83 0.00 3.20 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 1.53 1.55 0.00 316 L 7.78 4.17 0.00 1.73 1.74 0.94 0.82 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 0.00 317 S 7.98 4.24 0.00 3.99 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 0.00 318 R 7.78 4.20 0.00 1.98 2.04 0.00 3.20 0.00 0.00 3.24 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.62 0.00 319 I 7.23 4.02 2.02 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 1.35 0.50 1.06 0.00 0.00 320 G 8.57 4.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 321 G 8.07 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 0.00 0.00 0.00 0.00 322 I 8.56 5.09 1.89 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 1.45 0.79 0.99 0.00 0.00 323 H 8.44 4.46 0.00 3.17 3.26 0.00 5.56 0.00 0.00 0.00 0.00 6.87 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.