NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 E 4.3354 8.4449 120.2298 56.0963 30.9360 174.6400 3 L 4.5470 8.4372 122.6640 52.5197 43.6485 174.2545 4 I 4.5033 9.1627 125.3419 59.5688 40.0017 174.7682 5 R 4.6012 8.4529 124.2288 54.5197 31.7905 175.5262 6 F 4.9113 7.5635 115.2688 55.8005 40.4584 174.0020 7 S 4.5123 8.5224 118.1469 58.5401 63.7418 173.6856 8 I 4.6198 7.6742 120.5908 60.4187 40.7798 174.7046 9 S 4.6886 8.5458 118.8963 56.8083 65.4723 173.7437 10 I 4.5380 8.0680 125.4649 58.1168 40.4590 173.4683 11 P 4.2373 0.0000 0.0000 64.2816 31.4470 177.6968 12 S 3.9571 8.3267 119.9591 61.1557 62.7789 176.5702 13 K 3.8983 8.2384 120.8930 59.6373 31.6784 179.0149 14 L 3.9983 8.5677 120.8562 57.9476 42.0588 178.6375 15 L 4.0451 7.8219 119.8634 58.1177 42.0620 178.6535 16 E 3.9618 8.3185 118.4626 59.4183 29.3907 179.3605 17 K 3.9671 7.7661 118.2499 59.4221 32.0574 178.9900 18 F 4.2782 8.4899 120.8746 61.7038 39.2368 176.7717 19 D 4.1530 8.6147 118.7636 57.3345 40.6143 178.9124 20 Q 3.9097 8.1530 119.8430 59.1833 29.0833 178.0250 21 I 3.6801 7.9504 121.3572 64.5809 37.2836 178.6121 22 I 3.8541 7.7130 113.6235 63.6815 37.2812 177.8393 23 E 3.9213 7.8869 121.7794 58.9285 29.2224 178.1308 24 E 3.9033 7.7573 117.9167 59.5139 29.8606 178.2413 25 I 3.8021 7.6179 118.7741 64.9866 37.2978 176.2777 26 G 3.6857 7.0982 104.2134 45.1673 0.0000 173.6795 27 Y 4.3899 7.6174 118.5691 57.7952 38.3233 176.1969 28 E 4.0805 9.0873 124.3345 58.6826 30.3030 176.4537 29 N 4.3675 7.6465 114.5712 51.0948 40.4697 175.1716 30 R 3.9199 8.1873 119.4910 59.7420 29.9300 179.4724 31 S 4.0709 8.0097 114.2813 61.4718 62.7132 176.1301 32 E 3.9207 8.9633 122.2763 59.2237 29.3194 178.7888 33 A 2.5800 7.5548 120.3030 54.7564 18.2350 179.7269 34 I 3.7893 8.0977 118.6467 64.3160 37.1158 178.8040 35 R 3.9531 8.3335 119.5074 59.3378 29.9262 178.8383 36 D 4.4225 7.8974 118.7106 57.3491 40.8391 178.7548 37 L 4.1005 7.7325 119.2485 57.8914 41.5469 179.7007 38 I 3.9149 8.1652 120.1037 64.2904 37.0621 178.6555 39 R 4.0048 8.3173 119.1606 59.4628 29.8260 178.8978 40 D 4.4453 8.2215 118.5587 57.1171 40.8245 178.5504 41 F 4.2672 8.3764 121.3081 61.3245 39.3683 177.1561 42 I 3.4775 8.0638 119.3830 64.5831 36.7555 178.3794 43 I 3.6974 7.5844 118.9528 64.6666 36.9905 178.4859 44 R 4.1261 8.1744 118.1950 58.3781 30.1557 177.6291 45 H 4.7569 7.9225 113.2425 55.0429 29.7039 175.4598 46 E 3.8192 8.3162 122.6062 59.3472 29.1227 178.9798 47 W 4.3665 8.4219 115.0609 59.8568 27.7677 177.6536 48 E 3.2757 7.1281 118.6223 57.2549 29.0001 177.6924 49 V 3.3945 7.1123 119.5137 63.8205 32.1463 177.1534 50 G 3.8368 8.7342 116.4938 45.0387 0.0000 171.9679 51 N 5.0196 8.2665 111.1904 52.0868 38.1295 173.9684 52 E 4.6227 7.9265 122.6104 54.3760 33.5754 175.3456 53 E 4.7287 8.5428 121.5179 56.3667 30.8966 175.7190 54 V 5.0889 9.7803 119.7742 59.6578 36.3690 174.3114 55 A 4.9281 9.1613 122.8232 49.9135 22.9197 177.0950 56 G 3.9161 7.1484 105.3412 46.1754 0.0000 171.4091 57 T 5.0460 7.6594 109.7337 59.9379 72.8937 173.7074 58 I 4.4816 8.6806 124.0725 60.0906 39.6232 174.4296 59 T 5.0425 8.7487 125.3353 62.3162 70.1828 174.4303 60 I 5.3029 9.0884 119.6056 59.1005 41.6799 174.3077 61 V 5.2644 8.4769 123.5689 59.5410 34.1557 174.1113 62 Y 5.3609 7.9106 120.2925 57.1507 41.2667 172.3685 63 N 5.2654 8.6661 116.0375 51.0891 40.5622 174.0535 64 H 4.4421 8.4914 115.9623 55.3818 29.1875 174.6706 *67 G 3.9139 7.8329 109.2528 45.3927 0.0000 174.3990 68 D 4.3505 8.1426 118.2581 55.8410 39.7801 179.4046 69 V 3.5943 7.7665 120.3729 64.2241 31.4656 178.5230 70 V 3.5476 7.6976 118.3700 65.4018 31.3425 177.5408 71 K 3.9939 8.4085 119.2746 58.7170 32.2089 178.6680 72 A 4.0089 7.5924 121.3216 54.9552 18.0328 179.6239 73 L 3.9137 8.1971 117.1977 57.6204 41.8420 179.1297 74 L 4.0506 7.6114 120.2387 58.3841 42.2412 178.5072 75 D 4.4100 8.2316 118.7073 57.6989 40.6841 178.9931 76 L 4.1531 7.9305 119.9023 57.8196 41.8641 178.5497 77 Q 4.0922 8.1558 118.9999 58.7025 29.0177 177.0522 78 H 4.4694 8.0379 118.5362 59.1437 30.1269 176.3475 79 E 3.9260 7.9319 119.2105 58.6092 30.5711 178.3350 80 Y 4.7624 7.6566 118.3007 55.8294 36.0523 176.8993 81 L 4.0411 7.7981 122.5403 58.3156 42.9522 177.6160 82 D 4.5585 8.1419 117.5179 56.4583 40.9598 176.9928 83 E 4.9343 8.1437 115.1451 56.2580 30.5635 175.3728 84 I 4.5192 7.5920 121.0628 59.8814 38.0213 175.4432 85 I 4.1069 8.6551 127.8912 63.6889 37.5847 176.3350 86 S 4.7506 7.5226 113.8409 57.9183 65.7079 174.7442 87 S 5.0403 8.5838 114.1276 56.6412 65.9748 172.8062 88 L 4.6774 9.3493 125.8020 53.6736 44.0377 174.1865 89 H 5.4278 8.9028 125.9128 54.4188 32.0924 173.0198 90 V 4.2043 8.7675 125.9480 61.1675 34.2446 174.0853 91 H 4.0949 8.8496 128.4015 56.4349 28.7283 174.4686 92 M 3.9932 8.8532 125.4896 56.6376 33.0271 179.0057 93 D 5.0266 6.6110 121.6222 53.7198 40.5962 178.3042 94 E 4.3059 8.9195 114.3187 58.1457 30.0060 176.3582 95 H 4.9843 8.7861 115.0490 54.8322 29.9164 173.9991 96 N 5.0143 8.0228 114.6922 52.3487 43.1434 173.4520 97 C 4.7477 9.2631 121.7296 57.5668 32.3699 172.5017 98 L 5.0652 8.7996 123.6224 53.3648 44.5274 174.9768 99 E 5.2143 9.1909 124.8044 54.6917 33.4617 174.5523 100 V 4.7060 9.0442 125.3192 61.1571 34.0729 174.1695 101 I 4.7384 8.5284 129.0712 59.5334 39.6254 174.8251 102 V 4.4223 8.6106 128.3903 62.2544 32.7895 175.3372 103 V 5.0572 8.6681 120.1503 59.9549 36.6395 174.5124 104 K 4.8542 8.6698 123.1291 54.4530 35.8203 176.1790 105 G 4.1929 8.6723 114.4162 45.6961 0.0000 170.5840 106 E 4.5542 8.1626 118.9378 56.1576 30.0842 177.6857 107 A 4.3183 9.4166 126.5231 55.7839 18.2321 180.0573 108 K 3.9578 8.3794 116.4202 59.5842 32.0320 179.7210 109 K 4.1460 8.3173 118.8119 59.2865 32.0191 179.5262 110 I 3.7156 7.8077 119.8187 64.3029 37.0811 178.4483 111 K 4.2024 8.6439 119.7607 59.4176 31.7944 179.2221 112 M 4.0170 7.7615 118.7921 58.6704 32.2539 178.2609 113 I 3.2149 7.8234 120.0939 64.1555 37.1199 177.8957 114 A 3.9612 7.9774 121.4245 55.6791 18.2637 179.2614 115 D 4.3456 8.2776 116.7528 57.7052 40.6867 179.5677 116 K 4.0585 7.7789 118.0273 59.0814 32.3184 179.3158 117 L 4.1120 7.9400 119.3920 57.8905 41.4960 179.4347 118 L 4.1055 8.0592 117.7172 57.1641 41.6299 178.3422 119 S 4.7120 7.8292 113.8622 57.7736 64.9533 173.5425 120 L 4.5584 7.0857 122.6033 52.5459 43.7723 175.1748 121 K 3.9086 8.4642 126.2461 59.8839 31.9055 175.6415 122 G 4.0030 8.9884 116.2074 45.9639 0.0000 172.7100 123 V 4.0714 7.5312 119.5843 62.2926 31.0540 175.7857 124 K 4.1640 8.9290 128.1868 59.5783 32.3904 176.9156 125 H 4.9969 7.8183 114.4877 54.8065 34.0144 172.3453 126 G 4.2351 8.1399 102.1100 45.7444 0.0000 173.2906 127 K 4.9514 9.2046 124.0133 54.4140 36.4491 175.0628 128 L 5.0588 8.5994 122.2574 52.9442 44.6049 176.2539 129 V 4.1979 8.2762 122.6590 61.3137 33.5130 173.7153 130 M 4.8692 8.0942 126.6211 53.8367 35.3157 174.0741 131 T 4.7308 8.3810 118.0210 60.2018 71.7694 173.1748 132 S 4.6002 8.7459 123.5531 58.9685 63.2336 174.4580 133 T 3.8992 8.6052 117.0896 64.2358 69.1513 175.1226 *134 G 3.7113 7.9007 114.7804 45.0083 0.0000 172.2462 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 E 8.44 4.34 0.00 1.99 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 2.22 2.35 0.00 3 L 8.44 4.55 0.00 1.69 1.59 0.94 0.53 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 4 I 9.16 4.50 1.99 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 1.45 0.49 1.09 0.00 0.00 5 R 8.45 4.60 0.00 1.80 1.81 0.00 3.22 0.00 0.00 3.27 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.59 0.00 6 F 7.56 4.91 0.00 3.08 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 7 S 8.52 4.51 0.00 3.93 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 8 I 7.67 4.62 1.81 0.00 0.00 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 1.38 0.59 0.89 0.00 0.00 9 S 8.55 4.69 0.00 3.79 3.73 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 10 I 8.07 4.54 1.83 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.77 0.82 0.00 0.00 11 P 0.00 4.24 0.00 2.20 2.20 0.00 3.68 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 1.97 0.00 12 S 8.33 3.96 0.00 3.90 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 13 K 8.24 3.90 0.00 1.80 1.89 0.00 1.66 0.00 0.00 1.75 0.00 0.00 3.01 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.54 1.52 7.81 14 L 8.57 4.00 0.00 1.70 1.79 0.91 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 15 L 7.82 4.05 0.00 1.81 1.81 1.03 1.00 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 16 E 8.32 3.96 0.00 2.23 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 2.35 2.55 0.00 17 K 7.77 3.97 0.00 2.01 1.93 0.00 1.70 0.00 0.00 1.61 0.00 0.00 2.92 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.49 1.67 7.81 18 F 8.49 4.28 0.00 3.14 3.26 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 19 D 8.61 4.15 0.00 2.91 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 20 Q 8.15 3.91 0.00 2.24 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.78 0.00 0.00 0.00 0.00 0.00 2.35 2.39 0.00 21 I 7.95 3.68 1.99 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 1.60 0.73 0.95 0.00 0.00 22 I 7.71 3.85 1.84 0.00 0.00 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.62 0.03 0.00 0.00 23 E 7.89 3.92 0.00 2.06 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 2.28 2.29 0.00 24 E 7.76 3.90 0.00 2.10 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 0.00 2.31 2.34 0.00 25 I 7.62 3.80 1.87 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 1.44 0.74 0.52 0.00 0.00 26 G 7.10 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 27 Y 7.62 4.39 0.00 3.10 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 28 E 9.09 4.08 0.00 1.96 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 2.33 2.26 0.00 29 N 7.65 4.37 0.00 2.95 2.86 0.00 0.00 6.28 7.66 0.00 0.00 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 R 8.19 3.92 0.00 1.89 2.16 0.00 3.20 0.00 0.00 3.58 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.75 0.00 31 S 8.01 4.07 0.00 3.96 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 32 E 8.96 3.92 0.00 2.18 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 0.00 2.52 2.42 0.00 33 A 7.55 2.58 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 I 8.10 3.79 1.93 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 1.42 0.89 0.88 0.00 0.00 35 R 8.33 3.95 0.00 2.00 2.02 0.00 3.15 0.00 0.00 3.20 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.98 0.00 36 D 7.90 4.42 0.00 2.86 2.84 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 37 L 7.73 4.10 0.00 1.83 1.72 0.86 1.37 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 38 I 8.17 3.91 2.07 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.76 1.01 0.00 0.00 39 R 8.32 4.00 0.00 2.05 2.03 0.00 3.18 0.00 0.00 3.21 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 2.08 0.00 40 D 8.22 4.45 0.00 2.83 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 41 F 8.38 4.27 0.00 3.24 3.35 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 42 I 8.06 3.48 2.09 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 1.62 0.83 0.91 0.00 0.00 43 I 7.58 3.70 2.05 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 1.54 0.69 0.93 0.00 0.00 44 R 8.17 4.13 0.00 2.00 1.86 0.00 3.19 0.00 0.00 3.28 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.81 0.00 45 H 7.92 4.76 0.00 2.48 2.93 0.00 5.64 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 E 8.32 3.82 0.00 2.02 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 2.30 2.45 0.00 47 W 8.42 4.37 0.00 3.59 3.23 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 48 E 7.13 3.28 0.00 1.41 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 1.47 1.47 0.00 49 V 7.11 3.39 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 0.69 0.00 0.00 0.86 0.00 0.00 50 G 8.73 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 51 N 8.27 5.02 0.00 2.67 2.68 0.00 0.00 6.77 7.65 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 52 E 7.93 4.62 0.00 2.01 1.90 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 2.35 2.31 0.00 53 E 8.54 4.73 0.00 2.08 1.83 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 2.48 2.36 0.00 54 V 9.78 5.09 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 0.95 0.00 0.00 1.02 0.00 0.00 55 A 9.16 4.93 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 56 G 7.15 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 57 T 7.66 5.05 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 1.16 0.00 0.00 58 I 8.68 4.48 1.84 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 1.14 0.70 0.90 0.00 0.00 59 T 8.75 5.04 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 1.23 0.00 0.00 60 I 9.09 5.30 2.07 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 1.48 1.14 0.95 0.00 0.00 61 V 8.48 5.26 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 1.12 0.00 0.00 0.91 0.00 0.00 62 Y 7.91 5.36 0.00 3.19 3.11 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 63 N 8.67 5.27 0.00 2.47 2.84 0.00 0.00 6.03 7.90 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 64 H 8.49 4.44 0.00 3.38 3.44 0.00 5.56 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *67 G 7.83 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 68 D 8.14 4.35 0.00 2.96 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 69 V 7.77 3.59 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 0.76 0.00 0.00 0.64 0.00 0.00 70 V 7.70 3.55 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 1.01 0.00 0.00 1.07 0.00 0.00 71 K 8.41 3.99 0.00 1.84 1.76 0.00 1.68 0.00 0.00 1.65 0.00 0.00 2.96 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.41 1.44 7.81 72 A 7.59 4.01 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 73 L 8.20 3.91 0.00 1.44 1.65 0.35 0.81 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 74 L 7.61 4.05 0.00 1.81 1.85 0.91 1.20 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 75 D 8.23 4.41 0.00 2.78 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 76 L 7.93 4.15 0.00 1.89 1.83 0.93 0.42 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 77 Q 8.16 4.09 0.00 2.23 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.03 6.76 0.00 0.00 0.00 0.00 0.00 2.40 2.39 0.00 78 H 8.04 4.47 0.00 3.16 3.52 0.00 5.81 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 E 7.93 3.93 0.00 2.13 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 2.28 2.64 0.00 80 Y 7.66 4.76 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 81 L 7.80 4.04 0.00 1.78 1.73 0.95 1.32 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 82 D 8.14 4.56 0.00 2.74 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 83 E 8.14 4.93 0.00 2.14 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 2.70 2.43 0.00 84 I 7.59 4.52 2.04 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 1.29 0.66 0.93 0.00 0.00 85 I 8.66 4.11 1.86 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 1.28 0.34 0.91 0.00 0.00 86 S 7.52 4.75 0.00 3.83 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 87 S 8.58 5.04 0.00 3.98 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 88 L 9.35 4.68 0.00 1.75 1.57 0.93 0.64 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 89 H 8.90 5.43 0.00 3.45 3.22 0.00 5.92 0.00 0.00 0.00 0.00 6.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 V 8.77 4.20 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 0.67 0.00 0.00 0.91 0.00 0.00 91 H 8.85 4.09 0.00 3.15 3.17 0.00 5.80 0.00 0.00 0.00 0.00 6.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 M 8.85 3.99 0.00 2.03 1.80 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.51 0.00 93 D 6.61 5.03 0.00 2.70 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 94 E 8.92 4.31 0.00 1.83 1.87 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 2.25 2.30 0.00 95 H 8.79 4.98 0.00 2.92 3.34 0.00 5.66 0.00 0.00 0.00 0.00 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 N 8.02 5.01 0.00 2.85 2.57 0.00 0.00 6.78 7.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 C 9.26 4.75 0.00 1.59 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 98 L 8.80 5.07 0.00 1.61 1.54 0.98 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 99 E 9.19 5.21 0.00 2.12 1.90 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 2.59 2.84 0.00 100 V 9.04 4.71 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 0.96 0.00 0.00 0.94 0.00 0.00 101 I 8.53 4.74 1.85 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 1.12 0.69 0.89 0.00 0.00 102 V 8.61 4.42 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 0.99 0.00 0.00 0.91 0.00 0.00 103 V 8.67 5.06 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 0.66 0.00 0.00 0.80 0.00 0.00 104 K 8.67 4.85 0.00 1.74 1.58 0.00 1.78 0.00 0.00 1.64 0.00 0.00 3.07 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.40 1.38 7.81 105 G 8.67 4.19 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 0.00 106 E 8.16 4.55 0.00 2.10 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 0.00 2.43 2.35 0.00 107 A 9.42 4.32 1.60 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 0.00 0.00 108 K 8.38 3.96 0.00 1.98 1.91 0.00 1.68 0.00 0.00 1.66 0.00 0.00 2.97 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.47 1.62 7.81 109 K 8.32 4.15 0.00 2.02 2.02 0.00 1.80 0.00 0.00 1.86 0.00 0.00 3.00 0.00 0.00 3.29 0.00 0.00 0.00 0.00 1.59 1.56 7.81 110 I 7.81 3.72 2.20 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 1.95 0.90 0.77 0.00 0.00 111 K 8.64 4.20 0.00 1.96 1.89 0.00 1.60 0.00 0.00 1.41 0.00 0.00 2.28 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.44 1.80 7.81 112 M 7.76 4.02 0.00 2.22 2.22 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 2.69 0.00 113 I 7.82 3.21 1.62 0.00 0.00 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 0.29 0.61 0.00 0.00 114 A 7.98 3.96 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.28 4.35 0.00 2.84 2.76 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 0.00 0.00 0.00 116 K 7.78 4.06 0.00 1.90 1.88 0.00 1.81 0.00 0.00 1.80 0.00 0.00 3.12 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.51 1.73 7.81 117 L 7.94 4.11 0.00 1.85 1.69 0.88 0.42 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 0.00 118 L 8.06 4.11 0.00 1.61 1.76 0.97 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 119 S 7.83 4.71 0.00 3.93 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 0.00 120 L 7.09 4.56 0.00 1.97 1.53 0.90 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 121 K 8.46 3.91 0.00 1.75 1.73 0.00 1.81 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.43 1.44 7.81 122 G 8.99 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 0.00 123 V 7.53 4.07 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 0.87 0.00 0.00 0.90 0.00 0.00 124 K 8.93 4.16 0.00 1.74 1.68 0.00 1.73 0.00 0.00 1.69 0.00 0.00 2.90 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.46 1.45 7.81 125 H 7.82 5.00 0.00 3.06 3.16 0.00 5.65 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 126 G 8.14 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 0.00 0.00 0.00 0.00 127 K 9.20 4.95 0.00 1.63 1.68 0.00 1.69 0.00 0.00 1.70 0.00 0.00 2.95 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.38 1.55 7.81 128 L 8.60 5.06 0.00 1.55 1.35 1.02 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 129 V 8.28 4.20 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 0.96 0.00 0.00 0.90 0.00 0.00 130 M 8.09 4.87 0.00 0.51 0.57 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.81 0.00 131 T 8.38 4.73 4.19 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 1.16 0.00 0.00 132 S 8.75 4.60 0.00 3.94 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 0.00 133 T 8.61 3.90 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 1.25 0.00 0.00 *134 G 7.90 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 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.