NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 14 K 4.2943 8.3101 122.1404 53.9621 33.5490 177.4662 15 A 3.7517 9.1805 125.6781 51.8553 17.5382 177.9935 16 R 4.5703 9.1907 113.3332 56.2791 28.7999 178.8188 17 K 4.5750 7.7657 118.4060 56.6101 35.6589 180.4745 18 A 4.2359 8.4241 123.5309 55.8944 19.9907 179.6518 *19 Y 4.2330 8.5591 114.7789 58.1699 35.6090 182.3804 *20 F 4.2562 9.4147 115.2679 58.5040 38.8007 178.3902 21 T 4.3846 10.7500 108.0308 60.9224 70.7058 175.2077 22 A 4.7815 8.1048 127.7076 50.7739 22.3683 175.1901 23 P 4.7345 0.0000 0.0000 61.4697 32.1238 177.0059 24 S 4.0730 8.8901 120.8934 61.8437 62.2229 177.1488 25 S 4.1108 8.0818 118.0088 61.0510 62.1029 178.1377 26 Q 4.6322 8.7253 118.5105 55.7616 29.9357 182.0504 27 R 4.5702 9.2939 126.9778 61.1317 29.8971 182.0060 28 R 4.3062 7.9867 121.6742 62.5308 29.4024 183.6557 29 V 4.0949 7.8603 120.0546 64.9138 31.6580 179.7616 30 L 4.7937 7.3342 122.1781 59.2183 42.5698 184.3850 31 L 4.6799 8.4648 128.3959 55.4209 37.9272 178.1447 32 S 5.2363 7.5233 120.6105 56.3451 66.0832 173.6365 33 A 4.7398 8.4390 119.3798 52.4585 22.6219 175.4204 34 P 4.7694 0.0000 0.0000 63.3737 32.3818 176.1125 35 L 4.9795 7.8114 123.7240 54.3469 43.0396 178.6082 36 S 4.2460 8.6031 118.8915 58.6880 63.0131 176.9772 37 K 4.0714 9.0583 132.9989 60.3025 31.5922 177.6023 38 E 4.3798 8.4337 121.3992 61.7656 29.6664 181.7112 39 L 4.2830 7.8915 124.8918 59.9216 40.9879 181.8038 40 R 4.4077 10.6400 117.6102 59.2040 29.1700 178.4386 41 A 4.8368 7.5219 120.0877 56.2472 20.8559 178.7981 42 Q 3.9472 8.6982 120.6285 60.9828 27.9466 180.5500 *43 Y 4.4211 7.6907 123.4561 60.9638 37.6172 180.0774 44 G 4.0262 8.6147 109.0460 46.7476 0.0000 173.5602 45 I 4.5457 7.5510 117.9106 57.6915 38.9590 178.2701 46 K 3.9678 8.4035 125.8551 56.0491 32.0272 175.4532 47 A 4.5334 7.3116 123.1585 53.8199 22.3149 174.0350 48 L 4.3031 7.9275 115.7502 54.7877 45.1086 169.1163 49 P 4.9501 0.0000 0.0000 63.0649 29.2908 170.4203 50 I 3.4784 7.2737 119.2498 58.8892 34.9661 175.0816 51 R 4.7451 8.3242 126.7566 53.6447 31.9870 172.6343 52 R 4.1331 8.0225 119.9267 60.1253 29.9122 179.3166 53 D 4.5199 7.9927 118.1407 54.9099 40.0054 178.8205 54 D 4.8659 8.2172 123.7452 55.4605 41.3860 180.2028 55 E 4.9774 9.1119 116.3720 57.2491 34.2309 174.6545 56 V 4.5636 8.9153 121.0797 61.8996 36.9093 174.7212 57 L 5.0995 8.7200 122.7586 54.4605 42.4932 172.9656 58 V 3.7465 8.2921 124.9408 59.8670 32.0304 178.4059 59 V 3.7086 8.5031 125.6058 63.7123 30.3296 177.1346 60 R 4.4504 5.8400 116.2310 56.6486 30.3720 179.4480 61 G 3.9088 7.8391 109.9017 46.4085 0.0000 175.6557 62 S 4.0633 8.9751 120.6289 61.7840 62.5658 177.3056 63 K 4.4083 7.8680 124.3917 54.4757 29.5186 179.3483 64 K 4.7423 7.2239 125.3266 53.4815 33.3614 180.2145 65 G 3.5312 8.4784 108.7249 47.8557 0.0000 175.3387 66 Q 4.1415 8.7296 122.1320 55.6133 28.6624 181.1587 67 E 5.2200 9.4311 116.4044 52.9080 34.6088 175.5658 68 G 3.8523 7.2888 106.2077 47.1828 0.0000 171.8795 69 K 4.9029 8.0541 124.0110 53.5309 34.2932 173.0381 70 I 4.6836 7.8625 126.8529 59.0035 32.6384 174.6366 71 S 3.7008 8.4818 122.5568 61.8166 62.1465 176.3636 72 S 4.9214 8.2904 116.4026 57.5033 67.4918 176.4788 73 V 4.5447 8.2525 117.3835 60.7870 33.7946 177.0204 *74 Y 4.3652 8.2370 128.8681 55.3053 35.0389 174.0029 75 R 3.9522 8.4512 127.4694 59.6526 29.9510 180.5637 76 L 4.4847 7.9601 117.1601 54.8505 40.0367 179.9528 77 K 4.5507 7.9597 120.8509 54.3755 34.4409 179.8535 *78 F 3.6380 9.2575 115.4571 56.0277 34.9130 178.7664 79 A 5.0101 7.0217 135.0000 52.0040 20.4655 177.0274 80 V 4.6915 8.5597 124.0740 60.2577 35.6797 173.7879 81 Q 4.7284 9.4142 125.6208 54.4156 31.8545 175.8356 82 V 4.1367 8.1812 123.9568 61.6004 33.2357 175.9588 83 D 3.8620 10.5348 126.1931 56.7326 39.1820 175.8840 84 K 3.9230 8.5202 124.1956 58.2874 32.4868 180.6189 85 V 3.7778 7.2734 120.6027 61.8493 30.8886 177.7283 86 T 4.8950 8.0682 121.2056 59.1984 72.8855 171.3265 87 K 4.3277 8.8359 130.0587 55.4364 33.0496 176.6483 88 E 4.8047 8.8461 126.2038 54.5308 31.3171 173.0759 89 K 4.2792 8.9557 129.5692 53.3267 32.5518 175.9285 90 V 3.8882 8.6080 123.1267 62.1265 32.0129 174.3247 91 N 4.6176 7.3336 117.8312 54.9690 36.5954 181.9754 92 G 3.7782 7.6211 114.3779 44.6464 0.0000 172.0237 93 A 4.7196 7.2760 124.7684 51.3910 23.2488 177.3697 94 S 5.0646 8.7094 119.8398 57.6813 66.0739 175.8658 95 V 4.4900 8.9889 124.9344 59.3701 35.7399 172.1434 96 P 4.4608 0.0000 0.0000 61.9046 31.4919 173.5183 97 I 4.3862 7.6939 118.5102 58.2257 35.6340 174.3341 98 N 4.1047 7.9074 122.1946 52.4096 37.4540 175.1578 99 L 4.8335 8.3985 127.0553 52.5578 43.4064 173.8855 *100 H 4.7663 8.7685 121.4457 55.7317 28.7676 177.1178 101 P 3.8160 0.0000 0.0000 65.0562 31.0118 179.6823 102 S 4.7708 8.4394 117.9010 58.1887 61.7881 178.3118 103 K 4.7166 9.5122 123.4961 55.5727 36.1875 178.9341 104 L 5.0703 7.5150 124.5791 55.8651 41.0880 182.7276 105 V 4.3206 8.0199 114.7595 63.0210 36.2221 170.5398 106 I 4.2354 8.9448 130.1799 60.8258 34.0293 173.7755 107 T 3.9832 8.5477 124.6426 64.1266 68.3099 173.5293 108 K 4.7429 7.9160 126.3596 53.9489 36.5557 177.1873 109 L 4.7776 8.5182 125.7866 53.0715 42.9689 177.6556 *110 H 4.5596 8.6792 124.7155 53.0445 26.8204 174.5888 111 L 3.9768 7.9284 123.2106 56.0678 41.3118 179.2199 112 D 5.0150 8.3549 124.0789 50.8516 43.7895 174.5092 113 K 4.2977 8.6171 126.6708 57.7686 31.9305 177.0789 114 D 4.6544 7.7893 124.5667 58.0075 39.5144 181.0637 115 R 4.1906 8.0674 125.2995 62.7844 29.4693 180.6915 116 K 3.8410 10.3468 121.4660 59.1457 31.0827 181.4493 117 A 4.2503 8.0813 125.7112 56.0537 19.2011 180.1509 118 L 4.1527 8.0265 122.0312 59.6947 42.0710 181.2073 119 I 4.3370 8.5601 119.4465 60.5863 32.7424 180.3831 120 Q 4.2184 7.7102 124.0223 55.1140 28.8310 175.3630 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 14 K 8.31 4.29 0.00 1.79 0.93 0.00 1.78 0.00 0.00 1.70 0.00 0.00 2.89 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.26 1.02 7.81 15 A 9.18 3.75 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 16 R 9.19 4.57 0.00 2.00 1.88 0.00 3.21 0.00 0.00 3.26 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.17 0.00 17 K 7.77 4.57 0.00 1.56 1.65 0.00 1.80 0.00 0.00 1.71 0.00 0.00 2.94 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.28 1.23 7.81 18 A 8.42 4.24 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 *19 Y 8.56 4.23 0.00 2.25 1.81 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 *20 F 9.41 4.26 0.00 2.29 2.22 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 21 T 10.75 4.38 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 22 A 8.10 4.78 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 23 P 0.00 4.73 0.00 2.01 1.92 0.00 3.77 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.57 0.00 24 S 8.89 4.07 0.00 3.64 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 25 S 8.08 4.11 0.00 3.62 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 26 Q 8.73 4.63 0.00 1.98 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.01 6.78 0.00 0.00 0.00 0.00 0.00 2.22 2.16 0.00 27 R 9.29 4.57 0.00 1.62 1.94 0.00 3.24 0.00 0.00 3.20 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.49 0.00 28 R 7.99 4.31 0.00 1.81 1.96 0.00 3.22 0.00 0.00 3.37 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.27 0.00 29 V 7.86 4.09 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 0.94 0.00 0.00 0.93 0.00 0.00 30 L 7.33 4.79 0.00 1.75 1.59 0.92 0.88 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 31 L 8.46 4.68 0.00 1.61 1.61 0.92 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 32 S 7.52 5.24 0.00 3.59 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 33 A 8.44 4.74 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 34 P 0.00 4.77 0.00 1.78 1.94 0.00 3.71 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.59 0.00 35 L 7.81 4.98 0.00 1.54 1.46 0.92 0.83 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 36 S 8.60 4.25 0.00 3.69 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 37 K 9.06 4.07 0.00 1.84 1.80 0.00 1.80 0.00 0.00 1.74 0.00 0.00 2.99 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.38 1.12 7.81 38 E 8.43 4.38 0.00 1.96 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 2.32 1.97 0.00 39 L 7.89 4.28 0.00 1.64 1.71 0.92 0.88 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 40 R 10.64 4.41 0.00 1.91 1.86 0.00 3.19 0.00 0.00 3.23 7.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.52 0.00 41 A 7.52 4.84 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 42 Q 8.70 3.95 0.00 2.12 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.83 6.85 0.00 0.00 0.00 0.00 0.00 2.31 2.26 0.00 *43 Y 7.69 4.42 0.00 2.40 2.26 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 44 G 8.61 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 45 I 7.55 4.55 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 1.27 0.88 0.91 0.00 0.00 46 K 8.40 3.97 0.00 1.67 1.86 0.00 1.79 0.00 0.00 1.82 0.00 0.00 2.87 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.46 1.05 7.81 47 A 7.31 4.53 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 48 L 7.93 4.30 0.00 1.55 1.52 0.92 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 49 P 0.00 4.95 0.00 2.08 1.90 0.00 3.74 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.57 0.00 50 I 7.27 3.48 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 1.16 1.07 0.91 0.00 0.00 51 R 8.32 4.75 0.00 1.79 1.69 0.00 3.24 0.00 0.00 3.26 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.15 0.00 52 R 8.02 4.13 0.00 1.73 1.87 0.00 3.22 0.00 0.00 3.37 7.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.20 0.00 53 D 7.99 4.52 0.00 2.69 2.60 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.22 4.87 0.00 2.38 2.60 0.00 0.00 0.00 0.00 0.00 0.00 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 E 9.11 4.98 0.00 1.59 1.78 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 2.12 2.09 0.00 56 V 8.92 4.56 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 0.54 0.00 0.00 0.93 0.00 0.00 57 L 8.72 5.10 0.00 1.28 1.53 0.92 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 58 V 8.29 3.75 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 0.63 0.00 0.00 0.93 0.00 0.00 59 V 8.50 3.71 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 0.82 0.00 0.00 0.93 0.00 0.00 60 R 5.84 4.45 0.00 1.82 1.84 0.00 3.23 0.00 0.00 3.23 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.44 0.00 61 G 7.84 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 0.00 0.00 0.00 62 S 8.98 4.06 0.00 3.64 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 63 K 7.87 4.41 0.00 1.77 1.67 0.00 1.77 0.00 0.00 1.74 0.00 0.00 2.99 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.36 1.00 7.81 64 K 7.22 4.74 0.00 1.67 1.70 0.00 1.98 0.00 0.00 1.78 0.00 0.00 2.82 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.41 0.96 7.81 65 G 8.48 3.53 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 Q 8.73 4.14 0.00 1.93 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.58 6.61 0.00 0.00 0.00 0.00 0.00 2.29 2.18 0.00 67 E 9.43 5.22 0.00 1.92 1.68 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 2.11 1.84 0.00 68 G 7.29 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 69 K 8.05 4.90 0.00 1.67 1.66 0.00 1.79 0.00 0.00 1.85 0.00 0.00 3.12 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.34 0.96 7.81 70 I 7.86 4.68 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 1.08 0.66 0.91 0.00 0.00 71 S 8.48 3.70 0.00 3.38 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 72 S 8.29 4.92 0.00 3.37 3.71 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 73 V 8.25 4.54 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 0.91 0.00 0.00 0.93 0.00 0.00 *74 Y 8.24 4.37 0.00 2.19 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 0.00 0.00 0.00 0.00 75 R 8.45 3.95 0.00 1.73 1.97 0.00 3.22 0.00 0.00 3.37 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.20 0.00 76 L 7.96 4.48 0.00 1.66 1.57 0.92 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 77 K 7.96 4.55 0.00 1.69 1.64 0.00 1.93 0.00 0.00 1.74 0.00 0.00 2.94 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.28 1.23 7.81 *78 F 9.26 3.64 0.00 2.43 2.18 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 79 A 7.02 5.01 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 80 V 8.56 4.69 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 0.71 0.00 0.00 0.93 0.00 0.00 81 Q 9.41 4.73 0.00 1.65 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.86 6.74 0.00 0.00 0.00 0.00 0.00 2.19 2.15 0.00 82 V 8.18 4.14 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 0.68 0.00 0.00 0.93 0.00 0.00 83 D 10.53 3.86 0.00 2.48 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 84 K 8.52 3.92 0.00 1.77 1.76 0.00 1.78 0.00 0.00 1.74 0.00 0.00 3.03 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.36 1.01 7.81 85 V 7.27 3.78 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 0.82 0.00 0.00 0.93 0.00 0.00 86 T 8.07 4.90 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 87 K 8.84 4.33 0.00 1.46 1.72 0.00 1.76 0.00 0.00 1.68 0.00 0.00 2.81 0.00 0.00 2.65 0.00 0.00 0.00 0.00 1.36 1.26 7.81 88 E 8.85 4.80 0.00 1.74 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 2.16 1.86 0.00 89 K 8.96 4.28 0.00 1.67 1.72 0.00 1.78 0.00 0.00 1.68 0.00 0.00 2.86 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.35 1.25 7.81 90 V 8.61 3.89 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 0.86 0.00 0.00 0.93 0.00 0.00 91 N 7.33 4.62 0.00 2.71 2.65 0.00 0.00 7.09 7.30 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 92 G 7.62 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 0.00 0.00 0.00 93 A 7.28 4.72 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 94 S 8.71 5.06 0.00 3.36 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 V 8.99 4.49 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 0.60 0.00 0.00 0.93 0.00 0.00 96 P 0.00 4.46 0.00 2.08 1.92 0.00 3.65 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.64 0.00 97 I 7.69 4.39 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 1.27 1.25 0.91 0.00 0.00 98 N 7.91 4.10 0.00 2.74 2.69 0.00 0.00 6.72 7.79 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 99 L 8.40 4.83 0.00 1.54 1.53 0.92 0.81 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 *100 H 8.77 4.77 0.00 2.92 2.96 0.00 7.31 0.00 0.00 0.00 0.00 5.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 101 P 0.00 3.82 0.00 2.06 1.85 0.00 3.70 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.56 0.00 102 S 8.44 4.77 0.00 3.62 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 0.00 103 K 9.51 4.72 0.00 1.46 1.73 0.00 1.76 0.00 0.00 1.68 0.00 0.00 2.86 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.27 1.25 7.81 104 L 7.51 5.07 0.00 1.65 1.38 0.92 0.75 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 0.00 105 V 8.02 4.32 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 0.57 0.00 0.00 0.93 0.00 0.00 106 I 8.94 4.24 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 1.09 0.54 0.91 0.00 0.00 107 T 8.55 3.98 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 0.00 108 K 7.92 4.74 0.00 1.38 1.62 0.00 1.74 0.00 0.00 1.85 0.00 0.00 2.81 0.00 0.00 2.67 0.00 0.00 0.00 0.00 1.34 1.01 7.81 109 L 8.52 4.78 0.00 1.65 1.47 0.92 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 *110 H 8.68 4.56 0.00 2.92 2.95 0.00 7.21 0.00 0.00 0.00 0.00 5.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 L 7.93 3.98 0.00 1.65 1.55 0.92 0.92 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 0.00 112 D 8.35 5.02 0.00 2.54 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 0.00 113 K 8.62 4.30 0.00 1.68 1.84 0.00 1.76 0.00 0.00 1.85 0.00 0.00 2.89 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.45 1.07 7.81 114 D 7.79 4.65 0.00 2.68 2.60 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.07 4.19 0.00 1.90 1.91 0.00 3.26 0.00 0.00 3.26 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.30 0.00 116 K 10.35 3.84 0.00 1.76 1.70 0.00 1.81 0.00 0.00 1.65 0.00 0.00 2.92 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.38 1.35 7.81 117 A 8.08 4.25 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 0.00 118 L 8.03 4.15 0.00 1.74 1.65 0.92 1.11 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 0.00 119 I 8.56 4.34 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 1.16 1.10 0.91 0.00 0.00 120 Q 7.71 4.22 0.00 2.01 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.49 6.62 0.00 0.00 0.00 0.00 0.00 2.18 1.92 0.00 * Residues marked with a * may have inaccurate shift predictions.