NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.2425 8.2649 123.5822 51.5753 19.8214 176.7048 3 I 3.7907 8.2824 123.4217 61.4961 38.8256 174.0869 4 T 5.3643 8.1355 117.8176 63.3165 69.1418 177.4982 5 K 4.1600 8.9344 128.1732 55.7307 30.3018 174.9911 6 I 4.3546 7.3616 111.4689 60.1051 38.9136 176.8505 7 N 4.4562 7.9389 119.3229 53.1924 38.9120 174.3845 8 D 4.5570 9.1666 122.2225 55.0823 41.9162 175.6979 9 C 2.9732 7.6016 118.4162 57.4142 33.2784 174.4234 10 F 4.5905 7.7006 126.6467 60.2743 39.0541 177.6767 11 E 4.0966 8.2108 116.7158 58.2421 29.4231 177.2642 12 L 4.4173 7.7441 120.2323 57.0592 42.9178 177.6893 13 L 4.0362 8.1954 120.1929 57.9903 42.1015 179.0155 14 S 4.0202 8.1519 112.8377 61.9954 62.3745 176.0243 15 M 4.2523 8.0060 120.6537 57.9531 31.5984 178.0431 16 V 3.9168 7.6096 115.3862 64.1153 31.7093 176.0936 17 T 4.5880 7.4304 112.0801 65.5956 70.1897 175.4470 18 Y 4.2906 8.1954 120.3418 61.0220 38.7801 178.3337 19 A 3.8774 8.3473 121.7870 55.4365 18.2055 178.9427 20 D 4.4353 8.0996 115.1833 58.1281 41.0439 178.6572 21 K 3.6273 8.6098 116.2250 59.5023 31.8907 179.1326 22 L 3.6739 7.4148 122.7531 58.1168 42.2022 179.7131 23 K 4.1236 7.9405 118.9987 59.4387 31.9419 179.3850 24 S 4.1571 9.2557 114.5847 60.9787 62.2885 175.5612 25 L 3.9579 8.1048 122.7903 58.6920 41.3814 179.0790 26 I 4.3278 7.6546 117.6854 64.0487 36.7903 178.3323 27 K 4.8946 7.6151 120.1574 58.9995 32.0014 178.9620 28 K 4.1073 8.3139 119.3952 59.7210 32.4623 178.4798 29 E 3.9628 8.0028 118.1883 57.4535 29.7385 175.9270 30 F 4.6662 8.8498 116.4112 56.8590 43.3913 177.0241 31 S 3.8973 7.8281 118.4663 56.7264 64.5126 173.3235 32 I 4.4948 8.1661 116.6453 61.5434 44.2910 176.4473 33 S 4.2294 8.1857 114.4883 60.5512 62.0302 175.4546 34 F 3.9067 8.0181 124.0246 60.5027 39.1277 176.3142 35 E 3.7361 10.0565 117.6663 58.0490 29.0786 177.2719 36 E 4.5165 7.9190 117.3234 57.5339 30.9739 177.3686 37 F 4.7394 9.0267 120.9732 61.1554 39.3908 176.8802 38 A 4.1205 7.5170 120.1396 54.7976 18.8033 179.9673 39 V 3.6042 7.7275 117.0709 64.5206 31.3389 178.1064 40 L 4.2186 9.3296 121.5173 58.9863 39.8406 179.2056 41 T 3.7528 7.7908 110.2172 64.5022 68.5422 174.7499 42 Y 4.4119 7.8018 119.3485 56.8800 39.3587 174.1639 43 I 4.5194 7.2676 117.9689 60.1239 41.6202 174.0609 44 S 4.5721 8.2978 115.8786 59.1338 64.8413 175.8408 45 E 3.5877 8.2356 121.4082 59.1666 29.7825 177.6181 46 N 4.8238 8.1193 113.7355 54.1014 39.1180 176.5352 47 K 4.0693 9.2169 120.3737 58.1895 32.2732 178.3422 48 E 4.3051 7.8192 118.0516 58.4405 29.8776 177.7600 49 K 4.1660 8.3187 117.9090 59.7688 32.1375 177.4914 50 E 4.0577 7.7626 117.8088 59.5712 29.3804 178.2029 51 Y 4.0856 8.0305 115.1789 60.5777 38.0525 177.1030 52 Y 4.6160 8.6699 119.7326 59.6703 39.0083 176.4696 53 L 4.4522 7.6581 117.3726 56.2578 44.3126 178.2672 54 K 3.6991 8.0487 118.2281 58.4174 32.0593 176.3381 55 D 4.8509 7.6278 114.6632 54.5483 42.4575 175.4858 56 I 4.4932 8.2371 118.3787 59.6740 38.5448 176.7299 *67 V 4.1361 7.8006 120.5609 61.8694 33.6261 177.8710 68 V 3.6462 7.5881 120.8182 64.5658 31.5218 177.6389 69 K 4.1563 8.0900 116.2310 57.9864 33.0009 177.9387 70 A 4.1671 7.7878 122.3457 54.7278 19.5563 179.7192 71 V 3.6067 7.5247 117.2007 64.6661 31.4866 178.2380 72 K 3.7683 8.4760 120.7420 59.3970 31.9810 178.8847 73 I 3.6575 7.2048 119.5238 64.2191 36.8962 178.0486 74 L 3.8803 8.1434 120.1071 58.1363 42.1078 178.6747 75 S 3.9932 8.7025 114.2148 61.2912 61.0318 175.8285 76 Q 4.1643 7.9593 118.7728 57.7541 28.0725 176.7830 77 E 2.7722 7.6477 121.1124 56.9611 29.8557 176.7055 78 D 4.4139 7.5727 117.7929 56.8781 40.7401 177.4545 79 Y 4.3853 7.4484 117.1751 60.9477 37.3315 178.2334 80 F 5.0676 7.0758 112.6680 59.2600 38.5415 177.6843 81 D 4.6343 7.9916 117.9066 56.3517 40.4829 178.0353 82 K 4.1335 7.9492 119.9843 58.4771 32.7459 178.3227 83 K 4.0494 7.7572 120.2486 58.9448 32.0573 178.2477 84 R 4.3788 7.8197 117.8110 58.4223 30.3396 177.7083 85 N 4.4470 7.7557 115.8794 56.3295 39.0997 176.5354 86 E 4.1662 8.7427 119.9859 59.6929 29.8916 178.7131 87 H 4.4467 8.1481 115.3389 57.1836 28.3464 176.3815 88 D 4.4615 7.7991 120.5033 55.9050 40.5992 176.7471 89 E 4.5536 7.8374 118.3988 56.8559 31.3539 177.4066 90 R 4.2071 8.1428 117.0788 58.8507 30.1056 178.6114 91 T 3.9643 7.6829 116.9144 64.7159 68.1247 175.9988 92 V 3.5430 7.6266 118.4560 64.2220 30.7720 176.8680 93 L 4.0216 7.6565 120.5026 58.3808 41.7293 178.5300 94 I 3.8574 8.1699 119.3585 63.7146 37.9872 177.5100 95 L 3.8721 7.7566 120.2544 59.2859 39.6953 179.5048 96 V 3.5935 7.3987 118.5315 65.0969 31.2266 177.5448 97 N 4.8562 9.4074 117.0629 55.8297 38.1410 176.7763 98 A 4.0240 9.4705 122.1952 55.1604 18.4137 179.3894 99 Q 4.0683 8.2134 117.2022 58.3696 29.4930 178.2025 100 Q 4.5018 9.4146 115.1115 55.2512 28.3348 180.9821 101 R 3.9669 9.0319 128.1147 59.8143 29.5948 177.9722 102 K 3.8257 7.4261 119.4097 60.0325 32.6850 179.2706 103 K 4.4914 7.6851 123.1663 58.2237 31.9089 178.8004 104 I 3.6668 7.9526 119.6501 63.9074 36.8509 177.6051 105 E 4.0743 8.4713 121.1272 58.9437 29.3569 178.9639 106 S 4.1769 7.8805 116.7122 60.8800 62.9207 176.2664 107 L 3.9136 8.5136 123.2703 57.9132 40.0790 178.6468 108 L 3.9305 7.5271 120.0429 58.2795 41.9793 179.1152 109 S 4.4293 9.3051 115.8360 61.0838 63.2745 176.3356 110 R 3.9578 8.1163 120.5185 59.4388 29.9336 176.6022 111 V 3.8203 7.0449 113.3639 61.6231 31.4438 176.0294 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 A 8.26 4.24 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 3 I 8.28 3.79 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 1.42 0.45 0.91 0.00 0.00 4 T 8.14 5.36 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 1.24 0.00 0.00 5 K 8.93 4.16 0.00 1.53 1.61 0.00 1.28 0.00 0.00 0.69 0.00 0.00 2.59 0.00 0.00 2.77 0.00 0.00 0.00 0.00 0.46 0.74 7.81 6 I 7.36 4.35 1.90 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 1.42 0.80 0.93 0.00 0.00 7 N 7.94 4.46 0.00 2.69 2.83 0.00 0.00 6.98 8.06 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 8 D 9.17 4.56 0.00 2.71 2.68 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 9 C 7.60 2.97 0.00 2.76 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 10 F 7.70 4.59 0.00 3.12 2.96 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 11 E 8.21 4.10 0.00 2.08 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 2.26 2.27 0.00 12 L 7.74 4.42 0.00 1.71 1.63 0.89 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 13 L 8.20 4.04 0.00 2.20 1.71 0.96 0.85 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 14 S 8.15 4.02 0.00 4.20 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 15 M 8.01 4.25 0.00 2.12 2.11 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.56 0.00 16 V 7.61 3.92 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 0.83 0.00 0.00 0.92 0.00 0.00 17 T 7.43 4.59 4.56 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 0.00 0.00 1.26 0.00 0.00 18 Y 8.20 4.29 0.00 3.15 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 19 A 8.35 3.88 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 20 D 8.10 4.44 0.00 3.01 2.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 K 8.61 3.63 0.00 2.20 1.84 0.00 1.77 0.00 0.00 1.69 0.00 0.00 3.00 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.55 1.57 7.81 22 L 7.41 3.67 0.00 1.76 1.79 1.49 1.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 23 K 7.94 4.12 0.00 2.07 2.09 0.00 1.55 0.00 0.00 1.76 0.00 0.00 2.92 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.35 1.32 7.81 24 S 9.26 4.16 0.00 3.76 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 25 L 8.10 3.96 0.00 1.82 1.85 0.93 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 26 I 7.65 4.33 2.05 0.00 0.00 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 1.70 0.96 0.59 0.00 0.00 27 K 7.62 4.89 0.00 2.00 1.91 0.00 2.01 0.00 0.00 1.52 0.00 0.00 3.00 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.53 1.65 7.81 28 K 8.31 4.11 0.00 1.77 1.85 0.00 1.84 0.00 0.00 1.63 0.00 0.00 2.98 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.47 1.60 7.81 29 E 8.00 3.96 0.00 1.90 1.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.04 0.00 30 F 8.85 4.67 0.00 2.98 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 S 7.83 3.90 0.00 3.81 3.58 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.17 4.49 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 1.37 1.09 0.90 0.00 0.00 33 S 8.19 4.23 0.00 4.09 4.06 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 34 F 8.02 3.91 0.00 2.83 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 35 E 10.06 3.74 0.00 2.00 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 2.34 2.40 0.00 36 E 7.92 4.52 0.00 2.14 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 2.35 2.43 0.00 37 F 9.03 4.74 0.00 3.02 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 38 A 7.52 4.12 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 39 V 7.73 3.60 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 1.03 0.00 0.00 1.04 0.00 0.00 40 L 9.33 4.22 0.00 1.95 2.20 0.79 0.26 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 41 T 7.79 3.75 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 1.14 0.00 0.00 42 Y 7.80 4.41 0.00 2.98 3.03 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 43 I 7.27 4.52 1.64 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.92 0.94 0.00 0.00 44 S 8.30 4.57 0.00 3.98 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 45 E 8.24 3.59 0.00 1.99 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 2.39 2.31 0.00 46 N 8.12 4.82 0.00 2.87 2.88 0.00 0.00 7.17 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 47 K 9.22 4.07 0.00 1.88 1.89 0.00 1.68 0.00 0.00 1.63 0.00 0.00 2.88 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.51 1.59 7.81 48 E 7.82 4.31 0.00 2.09 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.46 0.00 49 K 8.32 4.17 0.00 1.84 1.92 0.00 1.87 0.00 0.00 1.67 0.00 0.00 3.03 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.45 1.57 7.81 50 E 7.76 4.06 0.00 2.40 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 2.46 2.77 0.00 51 Y 8.03 4.09 0.00 3.15 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 52 Y 8.67 4.62 0.00 3.08 3.07 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 53 L 7.66 4.45 0.00 1.80 1.52 0.72 0.51 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 54 K 8.05 3.70 0.00 1.40 1.48 0.00 1.41 0.00 0.00 1.54 0.00 0.00 2.68 0.00 0.00 2.83 0.00 0.00 0.00 0.00 0.68 1.07 7.81 55 D 7.63 4.85 0.00 2.67 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 56 I 8.24 4.49 2.05 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.51 0.93 0.00 0.00 *67 V 7.80 4.14 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 0.93 0.00 0.00 68 V 7.59 3.65 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 0.99 0.00 0.00 0.93 0.00 0.00 69 K 8.09 4.16 0.00 2.05 2.06 0.00 1.50 0.00 0.00 1.88 0.00 0.00 3.10 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.55 1.53 7.81 70 A 7.79 4.17 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 71 V 7.52 3.61 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 0.83 0.00 0.00 0.90 0.00 0.00 72 K 8.48 3.77 0.00 1.84 1.99 0.00 1.52 0.00 0.00 1.65 0.00 0.00 3.02 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.43 1.51 7.81 73 I 7.20 3.66 2.10 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 1.41 0.40 0.92 0.00 0.00 74 L 8.14 3.88 0.00 1.65 1.64 0.87 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 75 S 8.70 3.99 0.00 3.70 3.75 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 76 Q 7.96 4.16 0.00 2.45 2.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.48 0.00 0.00 0.00 0.00 0.00 2.23 2.30 0.00 77 E 7.65 2.77 0.00 2.23 1.91 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 2.82 2.60 0.00 78 D 7.57 4.41 0.00 2.57 2.49 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 79 Y 7.45 4.39 0.00 3.12 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 80 F 7.08 5.07 0.00 3.31 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 81 D 7.99 4.63 0.00 3.05 2.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 K 7.95 4.13 0.00 1.83 1.85 0.00 1.68 0.00 0.00 1.60 0.00 0.00 2.91 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.43 1.47 7.81 83 K 7.76 4.05 0.00 2.12 2.08 0.00 1.56 0.00 0.00 1.43 0.00 0.00 2.62 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.47 1.45 7.81 84 R 7.82 4.38 0.00 2.05 2.05 0.00 3.44 0.00 0.00 3.23 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.96 0.00 85 N 7.76 4.45 0.00 3.16 2.90 0.00 0.00 7.27 7.53 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 86 E 8.74 4.17 0.00 2.24 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 0.00 2.49 2.37 0.00 87 H 8.15 4.45 0.00 3.45 3.81 0.00 5.29 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 D 7.80 4.46 0.00 2.95 2.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 E 7.84 4.55 0.00 1.98 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 2.25 2.43 0.00 90 R 8.14 4.21 0.00 1.98 2.13 0.00 2.98 0.00 0.00 3.25 7.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.86 0.00 91 T 7.68 3.96 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 1.13 0.00 0.00 92 V 7.63 3.54 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 1.00 0.00 0.00 0.93 0.00 0.00 93 L 7.66 4.02 0.00 1.84 1.60 0.91 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 94 I 8.17 3.86 1.82 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 1.48 1.13 0.71 0.00 0.00 95 L 7.76 3.87 0.00 1.84 1.81 0.90 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 96 V 7.40 3.59 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.91 0.00 0.00 97 N 9.41 4.86 0.00 2.71 2.84 0.00 0.00 6.92 7.23 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 98 A 9.47 4.02 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 99 Q 8.21 4.07 0.00 2.40 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.54 0.00 0.00 0.00 0.00 0.00 2.35 2.40 0.00 100 Q 9.41 4.50 0.00 2.09 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.06 6.45 0.00 0.00 0.00 0.00 0.00 2.36 2.41 0.00 101 R 9.03 3.97 0.00 1.81 1.99 0.00 3.11 0.00 0.00 3.37 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.70 0.00 102 K 7.43 3.83 0.00 2.00 1.99 0.00 1.14 0.00 0.00 1.22 0.00 0.00 2.75 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.53 1.30 7.81 103 K 7.69 4.49 0.00 1.91 1.83 0.00 1.68 0.00 0.00 1.73 0.00 0.00 2.93 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.42 1.32 7.81 104 I 7.95 3.67 1.96 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 1.39 0.51 0.95 0.00 0.00 105 E 8.47 4.07 0.00 2.15 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 2.16 2.35 0.00 106 S 7.88 4.18 0.00 3.95 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 0.00 107 L 8.51 3.91 0.00 1.62 1.67 0.91 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 108 L 7.53 3.93 0.00 1.72 2.02 0.91 0.88 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 0.00 109 S 9.31 4.43 0.00 3.94 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 0.00 110 R 8.12 3.96 0.00 1.75 2.14 0.00 3.26 0.00 0.00 3.22 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.62 0.00 111 V 7.04 3.82 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 0.67 0.00 0.00 1.02 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.