NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4328 8.3049 120.3481 55.4125 33.4220 175.2756 2 L 4.1796 8.3989 125.5443 56.0248 42.9612 171.4653 3 V 5.1243 7.5379 110.5424 59.4482 36.1165 174.6652 4 K 4.6981 9.2275 120.7941 55.8706 36.2390 174.7022 5 T 5.2505 8.5005 115.9505 60.3145 70.0038 173.0216 6 I 4.7263 8.7000 120.4146 59.1719 41.2553 174.1230 7 S 5.2588 8.5990 119.1522 56.9991 65.2321 173.7897 8 R 4.8238 9.0966 122.9437 54.6873 34.7149 173.9322 9 T 5.0176 8.5886 112.9623 59.9604 71.0058 173.5455 10 I 4.3776 8.8057 119.6570 59.4926 39.5035 174.3652 11 E 4.6136 8.5011 130.1417 57.3041 30.6781 177.6981 12 S 3.3969 8.3744 110.3773 60.9344 59.3473 170.8167 *18 Q 3.9186 8.0611 125.7097 54.4557 29.6976 174.0072 19 P 4.3689 0.0000 0.0000 62.7467 32.3962 176.1077 20 T 4.4496 8.3843 117.3889 63.7246 69.8219 173.3876 21 L 5.3298 9.0094 125.3126 53.0816 45.2724 174.7110 22 D 5.1886 9.1253 122.1383 52.4995 43.6813 175.0328 23 V 4.9090 8.7868 125.1950 61.1255 35.2559 173.9437 24 I 4.9846 8.7298 127.6283 59.4286 40.2161 174.2410 25 A 5.1230 8.9394 128.4930 50.3804 22.2232 174.5736 26 T 4.9313 9.1108 119.6362 61.9173 70.8465 173.9039 27 L 5.1750 9.0109 126.1580 51.7285 46.3387 174.2758 28 P 4.7041 0.0000 0.0000 63.4692 31.0137 176.3406 29 A 4.2956 9.0345 126.1213 53.7054 19.1711 177.4119 30 D 4.8475 8.0525 114.6820 51.3355 41.5014 175.0586 31 D 4.7627 8.6298 122.4465 51.7182 42.3045 174.4767 32 R 4.6520 8.4794 125.8638 56.0150 31.0530 177.1475 33 S 4.8205 8.5403 122.6238 58.5215 64.1208 173.0681 34 K 4.2213 7.8447 131.8078 56.1546 36.6276 178.4632 35 K 4.1839 8.7641 126.5053 58.9922 32.5697 176.7063 36 I 4.0971 7.6099 119.9619 60.0297 37.4903 173.8536 37 P 4.8536 0.0000 0.0000 62.5762 32.4982 175.8993 38 I 4.5056 8.7020 123.5503 60.7038 39.0820 174.9610 39 S 5.4655 9.0040 122.3414 56.6795 65.8971 172.7948 40 L 5.1535 9.5069 126.3821 53.2338 45.1442 174.9066 41 V 4.8724 9.2189 126.9205 61.1664 33.7448 174.7401 42 V 4.7447 8.4916 126.8364 60.3358 35.2895 174.6173 43 G 3.0140 7.7591 108.4184 45.8863 0.0000 172.3447 44 F 5.3193 8.0410 118.4111 57.3168 39.8663 175.1995 45 K 4.6703 8.6699 122.2333 54.7398 34.1577 175.1618 46 Q 4.5529 8.9197 127.1661 55.4455 30.6334 173.3932 47 E 4.2642 8.1899 129.5824 56.2126 28.5684 175.7763 *53 S 4.4760 7.6807 114.6131 57.3798 65.2846 175.0178 54 S 4.5566 7.8095 114.8610 58.1754 63.7088 173.7356 55 S 4.7076 8.8028 118.0373 56.9721 65.2008 173.8920 56 L 4.4486 8.4197 125.8601 54.9732 41.1199 176.1709 57 S 4.5759 9.1718 124.2770 61.0447 63.9554 174.7441 58 C 5.0573 7.9968 117.8317 58.2493 35.3728 172.2126 59 Y 5.5815 9.2493 126.2223 56.2708 41.3010 173.3077 60 Y 4.7484 9.5236 128.4687 55.7763 42.2081 173.4273 61 Y 5.0818 8.4991 126.6014 55.7760 41.8499 174.1241 62 A 4.8583 8.1869 126.5326 50.5488 23.4183 174.5695 63 I 4.5057 8.0251 118.0804 58.8653 42.0143 172.5864 64 P 4.5893 0.0000 0.0000 62.6363 31.8305 176.4882 65 L 4.1524 9.2563 126.2823 57.5403 42.9098 176.6537 66 M 4.6972 7.6545 119.0723 57.0393 32.7647 176.5871 67 R 3.8238 8.5689 122.8841 58.1289 27.1001 175.5834 *78 S 4.0328 7.8826 110.9763 58.0685 63.2469 172.0021 79 N 4.8096 8.5631 126.1300 52.1422 40.3900 173.1041 80 V 4.8273 8.3816 126.6834 61.0607 33.7269 174.9044 81 V 4.4585 8.6388 127.6411 60.2055 33.7373 175.0388 82 G 4.6278 8.4397 108.7774 45.1930 0.0000 171.3618 83 I 4.5839 8.5034 120.6155 58.2422 42.0578 172.1497 84 P 3.8028 0.0000 0.0000 63.0473 31.0755 175.9650 85 L 4.2021 8.9168 125.0649 56.1108 43.0142 176.5303 86 L 4.6708 7.8825 121.3664 53.0796 44.3281 175.5371 87 D 5.0086 8.7733 126.0751 54.1775 42.3011 175.0776 88 T 4.7621 8.2752 115.8558 60.0666 70.2968 174.2052 89 K 4.0562 8.5578 125.1466 58.4574 32.6888 177.3630 90 D 4.5066 8.1077 118.9464 53.6192 41.4390 176.0112 91 D 4.3504 8.7611 128.5076 57.6676 40.9621 179.1352 92 R 3.9115 8.2074 118.4841 59.1268 30.0255 179.2505 93 I 3.4221 7.6457 119.0453 64.2152 37.2551 178.0479 94 R 3.9003 8.0670 119.6768 59.6304 29.7736 177.9153 95 D 4.1631 8.3944 118.8599 57.6451 40.8045 178.7122 96 M 3.8226 7.4222 117.1021 58.6144 32.2422 178.1235 97 A 4.0308 7.8156 120.9102 54.9561 18.4847 179.5486 98 R 2.5100 7.7662 117.4631 59.3506 30.1012 178.3739 99 H 4.1270 8.0588 116.2228 59.0235 28.6973 177.2560 100 M 3.9510 8.3254 119.9913 58.7459 32.0408 178.1202 101 A 4.0082 7.9811 120.5533 55.5072 18.5949 179.7766 102 T 3.7692 7.9585 114.2854 66.8931 68.5648 177.1505 103 I 3.7005 8.1806 122.1458 64.2404 37.1102 178.5674 104 I 3.8173 7.9444 120.7694 64.4610 37.0156 178.3587 105 S 4.4734 8.1264 115.2687 60.8657 61.9825 175.9668 106 E 3.8894 7.9859 119.9283 59.5524 29.3397 178.9924 107 R 3.7296 8.1327 117.4339 58.4637 30.0996 177.4866 108 F 4.7864 7.7615 113.5315 55.7015 40.7466 174.5041 109 N 4.2212 8.3304 116.6035 53.8046 37.6651 172.9976 110 R 4.7150 7.2675 111.8002 54.0089 33.0834 172.5867 111 P 4.5867 0.0000 0.0000 62.9714 32.9045 175.0671 112 C 5.2971 8.8331 121.7293 58.2446 35.5773 172.0878 113 Y 5.1283 9.6641 123.6747 56.2197 40.5969 174.7478 114 V 5.0457 9.3742 124.0088 61.4850 34.9423 174.0431 115 T 5.3172 9.6467 124.9682 61.7227 71.1705 173.1002 116 W 4.9255 9.1232 135.0000 56.1158 32.3195 174.5726 117 S 4.8587 8.0444 123.3818 56.9199 63.6615 172.6878 118 S 5.1442 8.7661 124.1770 55.8141 64.6538 173.8917 119 L 4.2509 8.7025 124.9255 54.5694 42.0797 176.6969 120 P 4.2541 0.0000 0.0000 65.6166 31.3623 177.4920 121 S 4.4909 7.9278 109.5212 58.0423 63.7340 173.8730 122 E 3.9524 8.1296 123.7062 57.0925 29.8593 175.0286 123 D 4.9974 8.6744 125.4604 51.9807 41.5265 174.8466 124 P 4.5239 0.0000 0.0000 64.3761 31.8322 178.7922 125 S 4.2040 8.3658 114.3618 61.7760 62.6332 176.4010 126 M 4.1034 8.3611 122.3398 58.3182 31.2323 178.6458 127 L 4.0991 8.0841 119.3342 57.5577 41.5053 179.6952 128 V 3.5951 7.7423 117.5790 66.0757 31.4287 177.9166 129 A 4.0987 8.0834 119.0888 54.1277 18.3232 177.8259 130 N 4.9381 7.9075 112.7390 53.3912 39.7252 175.7415 131 H 4.0743 8.0089 121.1342 58.8587 29.7268 176.9074 132 L 3.9898 7.9464 121.0897 58.1646 42.0759 177.9160 133 Y 4.1453 8.1668 119.0455 60.9297 38.7895 178.2296 134 I 3.7133 8.2277 120.6729 64.3155 37.2316 178.2639 135 L 3.9810 7.7292 119.5887 57.8183 41.4844 179.8429 136 K 3.9527 8.0872 118.5533 60.0259 32.4812 179.3111 137 K 3.9116 7.9405 119.6265 59.2119 31.8580 179.1934 138 C 4.2060 8.0104 116.9887 62.5083 28.0280 175.9912 139 L 4.1532 8.1188 120.7101 57.9517 41.3078 179.0679 140 D 4.3979 8.4271 119.1526 57.4047 40.7279 178.7072 141 L 3.9193 7.9142 120.3977 58.3111 42.0248 179.0057 142 L 3.8283 7.9695 118.7574 57.5889 41.2866 178.9623 143 K 3.9941 8.3820 118.8209 60.2600 32.2634 178.2637 144 T 4.0380 7.9019 115.1724 66.9942 68.3418 176.5681 145 E 3.9818 8.3092 118.4621 58.3839 29.5678 178.3351 146 L 4.3365 8.0168 117.4940 53.7753 42.2553 176.7454 147 G 4.1770 8.0520 113.5507 45.9268 0.0000 173.5223 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 1 M 8.30 4.43 0.00 1.99 2.04 0.00 0.00 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.83 0.00 2 L 8.40 4.18 0.00 1.73 1.69 0.92 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 3 V 7.54 5.12 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 0.74 0.00 0.00 0.92 0.00 0.00 4 K 9.23 4.70 0.00 1.68 1.83 0.00 1.25 0.00 0.00 1.66 0.00 0.00 2.78 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.30 1.51 7.81 5 T 8.50 5.25 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 1.19 0.00 0.00 6 I 8.70 4.73 1.86 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 1.34 0.73 0.89 0.00 0.00 7 S 8.60 5.26 0.00 3.72 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 8 R 9.10 4.82 0.00 1.65 1.74 0.00 3.25 0.00 0.00 3.22 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.70 0.00 9 T 8.59 5.02 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 1.22 0.00 0.00 10 I 8.81 4.38 1.89 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.73 0.92 0.00 0.00 11 E 8.50 4.61 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 2.28 2.28 0.00 12 S 8.37 3.40 0.00 3.99 4.15 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 *18 Q 8.06 3.92 0.00 1.70 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.98 0.00 0.00 0.00 0.00 0.00 1.58 2.04 0.00 19 P 0.00 4.37 0.00 2.01 1.54 0.00 3.68 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 2.21 1.87 0.00 20 T 8.38 4.45 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 1.39 0.00 0.00 21 L 9.01 5.33 0.00 1.65 1.60 1.04 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 22 D 9.13 5.19 0.00 2.70 2.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 V 8.79 4.91 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 1.00 0.00 0.00 0.92 0.00 0.00 24 I 8.73 4.98 1.84 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 1.13 0.74 0.89 0.00 0.00 25 A 8.94 5.12 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 26 T 9.11 4.93 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 1.20 0.00 0.00 27 L 9.01 5.17 0.00 1.46 1.43 0.85 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 28 P 0.00 4.70 0.00 2.23 2.07 0.00 3.72 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 1.94 1.97 0.00 29 A 9.03 4.30 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 30 D 8.05 4.85 0.00 2.75 2.63 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 0.00 0.00 0.00 31 D 8.63 4.76 0.00 2.74 2.63 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 0.00 0.00 0.00 32 R 8.48 4.65 0.00 1.81 1.77 0.00 3.19 0.00 0.00 3.24 7.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.62 0.00 33 S 8.54 4.82 0.00 3.86 4.10 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 0.00 0.00 0.00 34 K 7.84 4.22 0.00 1.72 1.30 0.00 1.77 0.00 0.00 1.65 0.00 0.00 2.98 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.37 1.38 7.81 35 K 8.76 4.18 0.00 1.73 1.85 0.00 1.79 0.00 0.00 1.73 0.00 0.00 2.80 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.42 1.48 7.81 36 I 7.61 4.10 1.89 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.68 0.93 0.00 0.00 37 P 0.00 4.85 0.00 2.22 2.35 0.00 3.74 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.33 0.00 38 I 8.70 4.51 1.93 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 1.15 0.58 0.93 0.00 0.00 39 S 9.00 5.47 0.00 3.79 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 40 L 9.51 5.15 0.00 1.73 1.56 0.94 0.75 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 41 V 9.22 4.87 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 0.83 0.00 0.00 0.91 0.00 0.00 42 V 8.49 4.74 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 0.91 0.00 0.00 0.88 0.00 0.00 43 G 7.76 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 0.00 0.00 0.00 44 F 8.04 5.32 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 45 K 8.67 4.67 0.00 1.80 1.71 0.00 1.77 0.00 0.00 1.64 0.00 0.00 2.89 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.37 1.36 7.81 46 Q 8.92 4.55 0.00 2.03 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 5.37 0.00 0.00 0.00 0.00 0.00 2.24 2.37 0.00 47 E 8.19 4.26 0.00 2.20 2.31 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 2.13 2.24 0.00 *53 S 7.68 4.48 0.00 4.02 4.07 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 54 S 7.81 4.56 0.00 3.71 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 55 S 8.80 4.71 0.00 3.78 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 56 L 8.42 4.45 0.00 1.60 1.59 0.70 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 57 S 9.17 4.58 0.00 4.19 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 58 C 8.00 5.06 0.00 3.10 2.90 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 59 Y 9.25 5.58 0.00 3.04 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 60 Y 9.52 4.75 0.00 3.05 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 61 Y 8.50 5.08 0.00 2.56 2.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 A 8.19 4.86 1.11 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 0.00 0.00 0.00 0.00 0.00 63 I 8.03 4.51 1.46 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 1.19 1.33 0.80 0.00 0.00 64 P 0.00 4.59 0.00 2.06 1.96 0.00 3.69 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.05 0.00 65 L 9.26 4.15 0.00 1.62 1.76 0.92 0.12 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 66 M 7.65 4.70 0.00 2.02 1.86 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.52 0.00 67 R 8.57 3.82 0.00 1.96 2.14 0.00 3.28 0.00 0.00 3.15 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.65 0.00 *78 S 7.88 4.03 0.00 3.82 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 79 N 8.56 4.81 0.00 2.86 2.66 0.00 0.00 6.69 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 80 V 8.38 4.83 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 0.82 0.00 0.00 0.94 0.00 0.00 81 V 8.64 4.46 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 0.72 0.00 0.00 0.93 0.00 0.00 82 G 8.44 4.63 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 0.00 0.00 0.00 0.00 0.00 0.00 83 I 8.50 4.58 1.80 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 1.37 0.82 0.00 0.00 84 P 0.00 3.80 0.00 2.04 2.03 0.00 3.61 0.00 0.00 3.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 2.01 0.00 85 L 8.92 4.20 0.00 1.54 1.78 0.60 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 86 L 7.88 4.67 0.00 1.87 1.69 0.97 1.20 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 87 D 8.77 5.01 0.00 2.75 2.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 T 8.28 4.76 4.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 89 K 8.56 4.06 0.00 1.81 1.87 0.00 1.82 0.00 0.00 1.65 0.00 0.00 2.89 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.46 1.44 7.81 90 D 8.11 4.51 0.00 2.75 2.58 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 91 D 8.76 4.35 0.00 2.70 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 R 8.21 3.91 0.00 1.95 1.91 0.00 3.27 0.00 0.00 3.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.65 0.00 93 I 7.65 3.42 1.97 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.50 0.93 0.00 0.00 94 R 8.07 3.90 0.00 2.01 1.93 0.00 3.17 0.00 0.00 3.33 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.83 0.00 95 D 8.39 4.16 0.00 2.64 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 96 M 7.42 3.82 0.00 1.91 1.65 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 1.70 0.00 97 A 7.82 4.03 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.77 2.51 0.00 1.09 1.67 0.00 3.06 0.00 0.00 3.16 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.24 0.00 99 H 8.06 4.13 0.00 3.35 3.28 0.00 5.70 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 M 8.33 3.95 0.00 2.13 2.19 0.00 0.00 0.00 0.00 0.00 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.71 0.00 101 A 7.98 4.01 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 0.00 102 T 7.96 3.77 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 1.23 0.00 0.00 103 I 8.18 3.70 1.94 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.50 0.86 0.00 0.00 104 I 7.94 3.82 2.00 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 1.58 1.13 1.12 0.00 0.00 105 S 8.13 4.47 0.00 3.88 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 0.00 106 E 7.99 3.89 0.00 2.06 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 2.30 2.37 0.00 107 R 8.13 3.73 0.00 1.50 1.48 0.00 2.86 0.00 0.00 2.94 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.50 0.00 108 F 7.76 4.79 0.00 3.09 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 0.00 109 N 8.33 4.22 0.00 2.83 2.86 0.00 0.00 6.89 6.94 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 0.00 110 R 7.27 4.71 0.00 2.02 2.02 0.00 3.10 0.00 0.00 3.34 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.71 0.00 111 P 0.00 4.59 0.00 2.24 2.00 0.00 3.62 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.13 0.00 112 C 8.83 5.30 0.00 2.92 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 0.00 113 Y 9.66 5.13 0.00 3.04 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 0.00 114 V 9.37 5.05 2.24 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 1.07 0.00 0.00 1.06 0.00 0.00 115 T 9.65 5.32 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 1.19 0.00 0.00 116 W 9.12 4.93 0.00 3.52 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 0.00 117 S 8.04 4.86 0.00 3.65 3.39 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 0.00 118 S 8.77 5.14 0.00 3.85 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 0.00 119 L 8.70 4.25 0.00 1.74 1.69 1.08 1.10 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 0.00 120 P 0.00 4.25 0.00 2.06 2.16 0.00 3.69 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.28 0.00 121 S 7.93 4.49 0.00 4.01 4.01 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 0.00 122 E 8.13 3.95 0.00 2.33 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 2.65 2.77 0.00 123 D 8.67 5.00 0.00 2.82 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 0.00 124 P 0.00 4.52 0.00 2.23 2.07 0.00 3.72 0.00 0.00 4.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.31 0.00 125 S 8.37 4.20 0.00 4.09 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 0.00 126 M 8.36 4.10 0.00 2.12 2.47 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.46 0.00 127 L 8.08 4.10 0.00 1.82 1.48 0.95 -0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 128 V 7.74 3.60 2.25 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 1.04 0.00 0.00 0.91 0.00 0.00 129 A 8.08 4.10 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 0.00 130 N 7.91 4.94 0.00 3.14 2.97 0.00 0.00 6.50 7.73 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 0.00 131 H 8.01 4.07 0.00 3.51 3.34 0.00 5.83 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 0.00 132 L 7.95 3.99 0.00 1.84 1.71 0.93 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 133 Y 8.17 4.15 0.00 3.13 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 0.00 134 I 8.23 3.71 2.06 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.41 1.11 0.00 0.00 135 L 7.73 3.98 0.00 1.83 1.71 0.90 0.65 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 0.00 136 K 8.09 3.95 0.00 2.00 2.05 0.00 1.10 0.00 0.00 1.62 0.00 0.00 3.10 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.41 1.60 7.81 137 K 7.94 3.91 0.00 1.49 1.71 0.00 1.51 0.00 0.00 1.42 0.00 0.00 2.93 0.00 0.00 3.06 0.00 0.00 0.00 0.00 0.60 0.59 7.81 138 C 8.01 4.21 0.00 3.17 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 0.00 139 L 8.12 4.15 0.00 1.89 1.76 0.88 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 140 D 8.43 4.40 0.00 2.98 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 0.00 141 L 7.91 3.92 0.00 1.84 1.84 0.92 0.48 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 0.00 142 L 7.97 3.83 0.00 1.96 1.26 0.99 0.79 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 0.00 143 K 8.38 3.99 0.00 1.97 2.17 0.00 1.90 0.00 0.00 1.81 0.00 0.00 3.16 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.53 1.62 7.81 144 T 7.90 4.04 4.40 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 1.21 0.00 0.00 145 E 8.31 3.98 0.00 1.86 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 2.55 2.46 0.00 146 L 8.02 4.34 0.00 1.49 1.86 0.03 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 147 G 8.05 4.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.