NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 R 4.6951 8.0976 119.6575 56.4882 32.6304 173.4720 3 T 4.9326 8.6122 109.6332 59.0143 72.1523 171.2333 4 L 5.0075 9.4654 128.5710 53.3141 45.1605 176.3729 5 A 4.8789 8.8627 128.8998 51.4542 20.6432 176.1449 6 V 4.9082 8.3595 119.5521 61.3341 35.4422 174.0540 7 I 4.6044 8.8426 128.5884 59.7533 39.5308 174.3046 8 S 5.0361 8.8307 122.2968 56.1452 64.7967 173.8819 9 A 4.8146 8.0668 126.1009 51.5648 19.9291 176.6977 10 G 3.7681 8.2859 106.3910 46.9355 0.0000 174.1223 11 L 4.6654 8.4724 117.7555 54.3043 42.6808 176.5891 12 S 4.7273 7.8433 115.1799 57.2270 65.0869 173.8475 13 T 4.4867 7.9393 111.5787 59.8842 69.7711 171.9989 14 P 4.3823 0.0000 0.0000 62.3775 32.4063 176.1410 15 S 4.5712 8.3848 114.5390 57.3575 63.9841 175.2429 16 S 4.1679 8.6210 125.4715 62.0851 62.8834 176.6522 17 T 3.8445 7.9188 117.9424 66.7830 68.0993 176.4268 18 R 4.0961 7.9916 121.8225 59.0842 30.0104 177.8391 19 Q 3.9961 8.1634 117.8813 59.3148 28.6166 178.6429 20 I 3.6777 8.1827 118.7892 64.2547 38.0991 177.9954 21 A 3.9997 7.9025 121.0413 55.4770 18.1608 179.4389 22 D 4.6041 8.2414 118.8144 56.9873 40.8999 179.0532 23 S 4.1112 8.2616 115.8332 61.6311 62.8163 176.9723 24 I 3.6513 8.0634 122.8554 64.2971 36.9996 178.5352 25 S 4.1001 8.1598 115.1526 61.6065 62.6764 176.2029 26 E 3.9111 8.5466 122.7163 58.9751 29.1595 179.2091 27 A 3.9341 7.9623 120.5960 55.2500 18.4125 179.8416 28 V 3.5064 8.1800 117.0732 66.3750 31.5646 178.3613 29 T 3.8597 8.3569 115.7222 66.6181 68.3062 176.4816 30 A 3.9918 8.1866 122.5816 54.9732 18.4033 179.6207 31 A 3.9207 8.1845 119.6283 55.3604 18.6290 180.1267 32 V 3.6733 8.2888 117.1178 65.8993 31.5341 178.2386 33 S 4.3656 8.3450 114.4360 60.5126 62.0491 175.5857 34 A 4.2029 7.9235 121.8706 53.7311 18.1380 178.5740 35 R 4.4660 7.1717 114.0455 54.9729 31.2144 176.0873 36 G 3.8147 8.6796 105.5748 45.9231 0.0000 174.0935 37 E 4.6448 7.9509 115.7603 54.6171 34.2696 175.4857 38 A 4.2477 8.3177 124.8929 51.7111 19.5934 176.7297 39 L 4.8211 8.1234 121.5321 53.4157 45.1343 175.4793 40 S 4.7164 9.2288 122.6951 57.0311 63.7465 172.8121 41 V 4.7799 8.3551 127.2975 60.1627 33.2574 175.1992 42 S 4.5707 8.9533 119.1951 56.8582 64.9970 172.4107 43 T 4.8234 8.5456 124.3490 62.2897 70.0128 174.2709 44 I 4.2746 9.0672 128.1452 59.7450 39.4765 174.5435 45 E 4.7802 8.5163 126.9077 54.6356 30.3491 176.8182 46 L 3.8279 8.6927 126.9639 57.6636 41.9158 180.1360 47 S 4.2243 8.0553 111.7607 60.6719 62.8717 174.5667 48 E 4.4486 8.1286 119.3184 56.3798 29.6117 176.2242 49 L 4.9048 8.1584 118.4082 54.2552 43.0839 178.1154 50 I 3.7475 8.1172 121.3377 64.2575 37.2672 175.6949 51 P 4.4143 0.0000 0.0000 65.7445 31.6730 177.5028 52 D 4.4958 8.1882 117.6483 57.5024 40.8346 179.4858 53 L 4.1464 8.1832 115.8932 55.6261 41.1597 178.2981 *55 T 4.3709 8.1011 117.3545 63.7647 70.1643 177.2738 56 A 4.3677 7.7546 124.3759 51.9834 17.3582 178.5111 *58 T 4.3090 7.9444 111.8671 62.6061 70.7491 173.3535 59 T 4.6652 8.1217 117.8859 61.8555 71.1054 173.4895 60 R 4.4758 8.4166 118.6287 56.8889 32.4683 176.7687 61 V 4.1151 7.5622 116.0730 61.7731 32.7898 174.7728 62 H 4.8278 8.3199 122.9449 54.7197 30.1658 176.0509 63 T 4.0842 8.1578 112.6632 61.9136 70.6319 175.3803 64 T 3.8453 8.5482 119.5851 66.8997 68.6099 176.3330 65 K 3.8408 8.0597 120.7004 59.6689 32.2480 178.2725 66 L 3.9800 7.9983 120.3089 58.1490 42.0253 178.4843 67 E 3.9586 8.5920 119.6379 59.3711 29.5616 178.7394 68 E 3.9778 8.4184 118.6683 59.3058 29.4870 179.3157 69 I 3.7380 7.6813 119.7397 64.7550 37.2499 178.7097 70 T 3.9441 8.0244 110.4603 64.7869 68.3097 176.8385 71 S 4.0963 7.9028 117.2064 61.3946 63.1752 176.1387 72 A 4.1338 8.1655 123.5372 54.7037 18.0388 179.4949 73 L 3.9179 8.1105 119.0944 58.5148 42.1284 179.0363 74 S 4.3777 7.9398 111.2470 59.7053 62.7819 174.4543 75 A 4.6164 7.4192 123.1664 52.0388 20.3807 177.5165 76 S 4.9300 7.5475 111.3867 58.1462 63.3696 174.2324 77 D 4.6178 8.5329 122.8637 56.2869 41.3895 176.5570 78 G 4.3515 7.8521 104.2225 44.7338 0.0000 171.2446 79 L 5.2959 8.9748 121.3972 53.3377 46.2019 174.8843 80 V 4.9423 8.8202 125.0540 61.2476 34.6954 174.4707 81 V 5.1641 8.7208 120.4273 59.7655 35.1022 174.5950 82 A 5.6475 9.2490 124.3639 50.4509 23.1379 174.9232 83 T 4.6252 7.9357 112.8766 60.1990 70.9636 171.4568 84 P 4.8610 0.0000 0.0000 62.2621 33.4092 175.2569 85 V 4.4161 7.7398 119.5322 61.4650 32.9584 174.5789 86 F 5.1640 8.4566 127.5525 56.7545 40.6556 176.5872 87 K 3.9523 9.4968 124.1308 57.5785 29.3216 174.9059 88 A 3.3873 8.3599 116.4003 52.7941 15.8423 177.5243 89 S 4.3428 7.1826 112.4816 59.1228 66.0188 173.9714 90 Y 4.1903 7.6486 119.7542 56.5641 38.4948 176.3118 91 T 4.2169 7.9604 117.0406 63.1841 70.1641 176.1165 92 G 3.7548 8.7926 111.5196 48.0696 0.0000 175.3459 93 L 4.1671 8.0637 121.4390 57.7278 42.4212 178.2199 94 F 4.2826 8.2451 119.9506 61.0902 39.5281 179.0322 95 K 4.3467 8.3134 120.5438 56.0439 31.7777 178.3023 *97 F 4.4622 8.0922 121.2938 57.8482 41.1932 176.5725 98 F 3.9907 7.5643 118.1789 60.0798 38.9686 177.4855 99 D 4.4066 8.0429 119.9809 56.9341 40.6906 177.5558 100 I 3.9796 6.9315 118.0770 62.6305 37.5649 176.5211 101 L 4.0128 6.8885 120.4183 54.0557 42.2099 176.7977 102 D 4.5490 8.3426 121.2229 54.5125 41.5867 177.6581 103 T 3.8847 8.6479 118.5998 66.7719 68.4468 175.0878 104 D 4.7834 7.8585 117.4481 53.0758 39.7965 177.3073 105 A 4.1204 7.9494 125.7595 55.2516 18.3924 179.3963 106 L 4.7687 7.6687 112.4691 54.4983 42.9209 176.3524 107 T 3.6076 8.0131 116.0843 65.3145 68.3560 171.3532 108 G 3.4902 8.5246 119.7102 44.6853 0.0000 169.7123 *110 P 4.4580 0.0000 0.0000 62.4513 33.1777 175.7386 111 T 5.8550 8.8637 119.9271 61.0531 73.5369 172.7449 112 I 4.8295 8.4142 124.6885 59.4884 40.1886 174.3295 113 I 4.8864 8.3860 119.7512 59.2715 40.1611 174.3400 114 A 5.7214 9.0173 125.2716 50.1329 23.1583 174.6069 115 A 5.4366 8.1992 120.1561 50.2213 23.3891 174.4544 116 T 4.5132 7.7679 110.1739 62.2361 71.1142 172.1508 117 A 4.1444 7.6676 126.9341 51.5449 22.6871 176.2465 118 G 3.6853 9.0418 105.6252 48.1281 0.0000 176.7427 119 S 5.0194 7.6863 116.8898 56.4275 65.8960 173.9678 120 A 4.6575 8.2247 122.1345 52.0674 19.0732 178.7432 121 R 3.9240 7.8400 115.3654 59.2888 29.6723 177.3353 122 H 4.9423 7.7984 115.3213 55.5395 29.4007 176.5895 123 S 2.7900 7.4420 118.7773 60.8116 62.5010 175.5051 124 L 4.2312 7.5731 119.4196 55.6580 41.2947 179.0157 125 V 3.7160 7.7901 121.7892 64.8609 31.1754 177.9449 126 L 4.0322 8.0763 119.8105 58.0281 41.3482 178.8462 127 D 4.4175 7.9307 117.4742 55.8876 41.2347 177.1601 128 Y 4.5547 7.6539 115.2354 57.6456 38.8008 175.1989 129 A 4.5731 7.5633 121.9351 52.8935 22.6401 178.6103 130 L 4.2305 8.1647 114.9782 57.7322 41.6087 179.8226 131 R 3.8826 8.3932 119.0968 59.1379 30.0882 176.9568 132 P 4.2734 0.0000 0.0000 65.4071 31.0641 178.0301 133 L 4.0100 7.5989 118.6446 58.1273 42.4251 178.7282 134 L 4.1000 8.4740 119.2772 57.7301 41.3579 179.9852 135 S 4.2276 8.1695 115.0224 61.2465 62.9416 176.7700 136 Y 4.2586 7.7550 122.4733 57.5342 39.0886 176.5720 *138 R 4.3373 7.9335 113.8542 55.3766 32.6717 175.1009 139 A 4.6138 8.1378 121.0802 51.4269 19.8499 178.6418 140 V 3.9920 8.3159 121.3114 60.7465 32.9585 175.0563 141 V 4.5357 8.2274 126.4416 61.2414 32.2390 176.0353 142 V 3.7349 8.5008 122.0766 61.1941 31.5804 174.8377 143 P 4.2078 0.0000 0.0000 65.7912 31.3199 176.7185 144 T 4.2570 8.1279 115.3187 62.3463 67.2886 174.4477 145 G 3.9212 8.3285 113.6176 45.6953 0.0000 171.5765 146 V 4.4516 8.7567 122.7542 61.1017 33.4720 174.4764 147 F 4.7361 9.0820 131.5154 56.4935 40.6490 175.1145 148 A 4.1390 8.7137 130.3778 51.0780 19.5465 176.1707 149 A 4.7950 8.0847 125.0425 50.7429 19.4743 177.3565 150 T 2.0000 8.1819 119.2523 67.1519 68.8285 176.0054 151 E 3.9644 8.1415 119.9039 57.5931 30.5382 178.2091 152 D 4.8940 7.7331 119.8692 53.8654 41.6465 176.1661 153 F 4.9072 8.1753 116.7857 57.3765 40.5936 176.0163 154 G 3.9960 8.6722 110.5232 47.1921 0.0000 174.9236 155 G 3.8735 8.4366 110.0228 44.1353 0.0000 171.7374 156 P 4.2647 0.0000 0.0000 65.9578 31.0490 178.5522 157 E 4.1119 8.2484 116.8268 59.4071 29.4188 179.4439 158 G 3.6942 8.1688 105.0801 47.6612 0.0000 175.3985 159 A 3.9926 8.0517 123.1996 55.0555 18.4520 179.5901 160 E 3.9455 8.4546 117.2396 59.3856 29.4998 179.4376 161 F 4.3167 8.7122 120.9315 61.6217 39.4687 177.0432 162 N 4.0328 8.8534 116.6412 55.8794 38.3266 177.3168 163 K 3.9261 7.8770 121.4333 59.2584 32.3531 178.8807 164 R 3.9351 7.9251 119.0939 59.1606 29.9296 178.5307 165 I 3.5122 7.5994 119.7372 63.9506 36.9171 178.1369 166 A 3.9028 7.5162 121.7381 55.0854 18.1797 179.5668 167 R 3.7635 7.7900 116.4902 59.4908 30.1000 178.3532 168 A 3.9470 7.8425 120.0774 55.3487 18.4177 179.4247 169 A 4.0078 8.1821 119.2966 55.1663 18.3528 180.1357 170 G 3.4992 8.3519 104.5757 47.9466 0.0000 175.6348 171 E 3.9596 8.4588 121.8799 59.0560 29.5375 179.4258 172 L 3.9399 8.1711 120.0208 57.9985 42.2007 178.4560 173 A 3.9951 8.4342 121.1339 55.5333 18.1350 179.6348 174 S 4.0586 8.4188 113.7114 62.0125 62.7417 177.1913 175 L 4.0564 7.4562 120.0267 57.5739 41.4234 179.4588 176 I 4.4104 7.6821 121.3716 63.9471 36.9516 178.8036 177 V 3.7842 7.6069 111.7618 63.8605 31.4508 177.8430 178 E 4.0683 7.8133 118.0229 57.4295 30.0625 176.8805 179 E 4.0986 7.5603 119.4304 56.5212 30.2488 176.9540 180 S 4.3309 8.4942 115.6467 58.4247 62.5924 173.6642 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 2 R 8.10 4.70 0.00 1.83 1.94 0.00 3.08 0.00 0.00 3.33 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.88 0.00 3 T 8.61 4.93 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 1.21 0.00 0.00 4 L 9.47 5.01 0.00 1.70 1.54 0.90 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 5 A 8.86 4.88 1.26 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 6 V 8.36 4.91 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 0.97 0.00 0.00 0.93 0.00 0.00 7 I 8.84 4.60 1.88 0.00 0.00 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.70 0.38 0.00 0.00 8 S 8.83 5.04 0.00 3.89 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 9 A 8.07 4.81 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 0.00 0.00 10 G 8.29 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 L 8.47 4.67 0.00 1.74 1.74 1.08 1.00 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 12 S 7.84 4.73 0.00 3.87 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 T 7.94 4.49 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 14 P 0.00 4.38 0.00 2.22 2.11 0.00 3.76 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.96 0.00 15 S 8.38 4.57 0.00 4.12 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 16 S 8.62 4.17 0.00 3.89 3.88 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 17 T 7.92 3.84 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 1.19 0.00 0.00 18 R 7.99 4.10 0.00 2.02 2.09 0.00 3.20 0.00 0.00 3.42 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.71 0.00 19 Q 8.16 4.00 0.00 2.42 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.54 0.00 0.00 0.00 0.00 0.00 2.43 2.59 0.00 20 I 8.18 3.68 2.01 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 1.57 1.54 1.03 0.00 0.00 21 A 7.90 4.00 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 22 D 8.24 4.60 0.00 2.85 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 23 S 8.26 4.11 0.00 3.98 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 24 I 8.06 3.65 2.00 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 1.51 0.67 0.90 0.00 0.00 25 S 8.16 4.10 0.00 4.04 4.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 E 8.55 3.91 0.00 2.05 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.36 0.00 27 A 7.96 3.93 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 28 V 8.18 3.51 2.23 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 1.01 0.00 0.00 0.99 0.00 0.00 29 T 8.36 3.86 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 30 A 8.19 3.99 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 31 A 8.18 3.92 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 V 8.29 3.67 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 1.03 0.00 0.00 0.97 0.00 0.00 33 S 8.34 4.37 0.00 4.06 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 34 A 7.92 4.20 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 35 R 7.17 4.47 0.00 1.96 1.94 0.00 3.26 0.00 0.00 3.22 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.61 0.00 36 G 8.68 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 0.00 0.00 0.00 37 E 7.95 4.64 0.00 2.15 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 2.23 2.25 0.00 38 A 8.32 4.25 1.23 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 0.00 0.00 0.00 39 L 8.12 4.82 0.00 1.60 1.50 0.92 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 40 S 9.23 4.72 0.00 3.91 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 41 V 8.36 4.78 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 0.74 0.00 0.00 0.93 0.00 0.00 42 S 8.95 4.57 0.00 3.88 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 43 T 8.55 4.82 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 1.19 0.00 0.00 44 I 9.07 4.27 1.74 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 1.15 1.06 0.68 0.00 0.00 45 E 8.52 4.78 0.00 2.00 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 2.29 2.25 0.00 46 L 8.69 3.83 0.00 1.67 1.68 0.81 -0.06 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 47 S 8.06 4.22 0.00 3.99 4.20 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 48 E 8.13 4.45 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 1.22 0.00 0.00 59 T 8.12 4.67 4.45 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 1.28 0.00 0.00 60 R 8.42 4.48 0.00 1.75 1.93 0.00 3.20 0.00 0.00 3.15 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.57 0.00 61 V 7.56 4.12 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 0.79 0.00 0.00 0.91 0.00 0.00 62 H 8.32 4.83 0.00 3.14 3.16 0.00 5.76 0.00 0.00 0.00 0.00 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 T 8.16 4.08 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 1.21 0.00 0.00 64 T 8.55 3.85 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 1.21 0.00 0.00 65 K 8.06 3.84 0.00 1.82 2.00 0.00 1.73 0.00 0.00 2.07 0.00 0.00 2.92 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.52 1.51 7.81 66 L 8.00 3.98 0.00 1.80 1.80 0.92 0.45 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 67 E 8.59 3.96 0.00 2.18 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 0.00 2.30 2.39 0.00 68 E 8.42 3.98 0.00 2.20 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 2.33 2.59 0.00 69 I 7.68 3.74 2.07 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 1.59 0.47 1.03 0.00 0.00 70 T 8.02 3.94 4.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 71 S 7.90 4.10 0.00 4.11 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 72 A 8.17 4.13 1.39 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 73 L 8.11 3.92 0.00 1.92 1.92 0.98 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 74 S 7.94 4.38 0.00 3.90 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 75 A 7.42 4.62 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0.00 0.00 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.13 0.00 111 T 8.86 5.85 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 1.34 0.00 0.00 112 I 8.41 4.83 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 1.41 0.84 0.93 0.00 0.00 113 I 8.39 4.89 1.92 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.79 0.96 0.00 0.00 114 A 9.02 5.72 1.28 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 0.00 0.00 0.00 115 A 8.20 5.44 1.19 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 0.00 0.00 116 T 7.77 4.51 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 1.10 0.00 0.00 117 A 7.67 4.14 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 0.00 118 G 9.04 3.69 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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0.00 0.00 0.00 0.00 127 D 7.93 4.42 0.00 2.39 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 0.00 128 Y 7.65 4.55 0.00 3.17 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 0.00 129 A 7.56 4.57 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 L 8.16 4.23 0.00 2.00 1.80 1.05 0.64 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 0.00 131 R 8.39 3.88 0.00 2.01 1.87 0.00 3.18 0.00 0.00 3.13 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.67 0.00 132 P 0.00 4.27 0.00 2.24 2.11 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 2.02 2.10 0.00 133 L 7.60 4.01 0.00 1.88 1.90 0.89 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 134 L 8.47 4.10 0.00 1.78 1.72 0.96 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 135 S 8.17 4.23 0.00 4.05 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 0.00 136 Y 7.75 4.26 0.00 3.08 3.21 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 *138 R 7.93 4.34 0.00 1.78 1.92 0.00 3.07 0.00 0.00 3.24 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.65 0.00 139 A 8.14 4.61 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 0.00 140 V 8.32 3.99 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 0.69 0.00 0.00 0.94 0.00 0.00 141 V 8.23 4.54 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.00 0.00 0.95 0.00 0.00 142 V 8.50 3.73 2.29 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 0.73 0.00 0.00 1.06 0.00 0.00 143 P 0.00 4.21 0.00 2.04 2.13 0.00 3.97 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.12 0.00 144 T 8.13 4.26 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 1.28 0.00 0.00 145 G 8.33 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 0.00 146 V 8.76 4.45 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 0.98 0.00 0.00 0.92 0.00 0.00 147 F 9.08 4.74 0.00 3.15 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 0.00 148 A 8.71 4.14 1.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 149 A 8.08 4.80 1.32 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 0.00 0.00 150 T 8.18 2.00 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 0.85 0.00 0.00 151 E 8.14 3.96 0.00 2.01 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 2.25 2.19 0.00 152 D 7.73 4.89 0.00 2.61 2.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 153 F 8.18 4.91 0.00 2.91 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 0.00 154 G 8.67 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 155 G 8.44 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 0.00 0.00 0.00 156 P 0.00 4.26 0.00 2.19 2.16 0.00 3.63 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.22 0.00 157 E 8.25 4.11 0.00 2.06 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 0.00 2.44 2.41 0.00 158 G 8.17 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 0.00 0.00 0.00 159 A 8.05 3.99 1.38 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 0.00 0.00 0.00 0.00 0.00 0.00 160 E 8.45 3.95 0.00 2.34 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 0.00 2.36 2.50 0.00 161 F 8.71 4.32 0.00 3.15 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 0.00 162 N 8.85 4.03 0.00 2.84 2.76 0.00 0.00 6.76 5.53 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 0.00 163 K 7.88 3.93 0.00 2.11 1.97 0.00 1.50 0.00 0.00 1.55 0.00 0.00 2.98 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.43 1.46 7.81 164 R 7.93 3.94 0.00 1.96 1.98 0.00 3.28 0.00 0.00 3.33 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.69 0.00 165 I 7.60 3.51 1.76 0.00 0.00 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 -0.28 0.76 0.00 0.00 166 A 7.52 3.90 1.33 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 0.00 167 R 7.79 3.76 0.00 1.91 2.05 0.00 3.11 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.64 0.00 168 A 7.84 3.95 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 0.00 169 A 8.18 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 0.00 170 G 8.35 3.50 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 0.00 171 E 8.46 3.96 0.00 2.20 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.32 0.00 172 L 8.17 3.94 0.00 1.75 1.65 0.95 1.09 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 0.00 173 A 8.43 4.00 1.38 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 0.00 0.00 0.00 0.00 0.00 0.00 174 S 8.42 4.06 0.00 3.99 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 0.00 175 L 7.46 4.06 0.00 1.85 1.74 0.92 0.87 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 0.00 176 I 7.68 4.41 2.01 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 1.70 1.94 0.91 0.00 0.00 177 V 7.61 3.78 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 0.76 0.00 0.00 1.03 0.00 0.00 178 E 7.81 4.07 0.00 1.91 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.34 0.00 179 E 7.56 4.10 0.00 2.16 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 2.33 2.47 0.00 180 S 8.49 4.33 0.00 3.79 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 * Residues marked with a * may have inaccurate shift predictions.