NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 E 4.2843 8.4449 121.4650 55.9498 31.7572 176.3721 3 K 4.0025 7.6310 117.7969 56.2431 33.4086 174.5981 4 T 5.0718 9.3681 121.5173 62.3050 70.4786 173.8606 5 I 4.8493 8.7622 127.3608 59.8060 41.0807 174.5549 6 T 4.9756 8.6313 123.4322 62.1909 70.7588 173.8042 7 I 5.0596 8.5223 126.3102 59.6943 41.0014 173.8295 8 Y 5.2821 9.2989 125.0903 56.4079 40.1687 174.9629 9 T 5.3172 8.7190 114.2782 60.3030 72.1129 172.8819 10 D 4.8811 9.1221 121.3379 53.3371 45.1650 174.1609 11 G 4.7183 8.7365 109.8997 44.6526 0.0000 171.5103 12 A 5.0535 9.2429 122.8316 50.1334 22.8334 175.0294 13 A 5.1064 8.4184 120.9056 50.9237 22.1251 176.4865 14 S 4.3978 8.8506 115.4301 59.5874 63.7017 174.5100 15 G 4.0504 7.2646 106.3136 45.4448 0.0000 172.2656 16 N 5.0713 8.4035 112.8175 51.3841 37.9383 172.7086 17 P 4.8461 0.0000 0.0000 62.1327 34.3554 175.8724 18 G 4.1363 8.4598 105.4549 45.5641 0.0000 172.4552 19 K 4.7085 8.6980 119.1977 56.7828 33.2439 176.8307 20 G 4.4609 9.1625 110.8263 45.1006 0.0000 171.0419 21 G 4.8160 9.2428 106.6131 44.6004 0.0000 171.7083 22 W 5.8524 8.6363 116.4115 54.8183 32.1329 174.4149 23 G 4.7522 9.5604 107.2731 45.0605 0.0000 171.4269 24 A 5.4708 9.3839 123.0146 50.0478 23.3459 174.8043 25 L 5.1536 9.2430 123.7589 53.3749 44.7186 174.9612 26 L 5.2427 9.1490 127.0844 53.4555 44.2291 175.5078 27 M 5.2103 9.3149 122.8922 53.7371 36.1529 174.1021 28 Y 4.4863 8.7725 124.1921 55.9467 41.6230 174.5801 29 G 3.3632 8.4933 118.8295 47.0180 0.0000 173.7082 30 S 4.4052 8.5701 119.1559 58.3503 63.7064 174.0280 31 S 4.6894 7.9317 116.8753 57.4530 63.4500 172.5549 32 R 5.2701 8.1312 124.9300 54.7885 33.5374 173.8081 33 K 4.7167 9.2496 124.9564 54.7263 35.7849 174.5220 34 E 5.3990 8.9909 126.1940 54.5804 32.0598 175.2323 35 I 4.9566 8.6138 116.7331 59.6495 41.5795 174.0744 36 S 4.0966 8.1862 115.7263 57.9846 65.5590 173.5235 37 G 3.5801 6.1512 106.6953 45.7389 0.0000 171.2723 38 Y 5.3525 8.3048 119.6723 55.7449 42.7680 173.6320 39 D 4.5728 8.1055 123.7204 51.8419 44.1034 174.5553 40 P 3.9546 0.0000 0.0000 64.4258 31.7363 176.2270 41 A 4.4378 7.9346 120.8409 52.0922 21.1033 174.9181 42 T 4.5433 8.8949 116.7626 62.5689 71.7029 171.8665 43 T 4.9115 8.1745 110.9632 59.3892 72.1938 174.8498 44 N 4.2914 8.9524 119.5655 56.8494 38.5518 177.1876 45 N 4.3720 8.0340 116.9652 56.6241 38.5322 177.5777 46 R 3.9315 7.9826 119.2521 59.4158 30.0658 179.0609 47 M 4.2242 8.2269 118.6486 58.1822 32.0910 178.5825 48 E 4.0608 8.5143 119.1473 59.3779 29.6080 179.4662 49 L 3.9317 7.9552 118.9872 57.9559 41.6494 179.0309 50 M 3.6732 8.2856 118.3325 58.5320 32.0353 177.9971 51 A 3.9958 8.1801 120.6460 55.1550 18.5070 179.5466 52 A 3.9711 7.6245 118.1675 55.2103 18.4057 179.8458 53 I 3.5711 7.7124 118.3639 64.6505 37.3426 178.9334 54 K 3.8891 8.0562 119.7111 59.0139 31.4523 179.7797 55 G 3.6291 7.8712 105.3166 47.9259 0.0000 175.5111 56 L 4.0726 8.0647 121.9865 57.3967 41.3925 179.4947 57 E 4.0470 8.3758 117.7459 58.9515 29.4299 178.6640 58 A 4.2543 7.5990 119.0523 52.6105 18.6856 177.4934 59 L 4.1145 7.1502 118.2540 54.3292 42.0706 177.6845 60 K 4.1855 8.6443 123.7213 58.5199 32.4607 176.5960 61 E 4.7540 7.6218 114.1367 53.4156 32.6593 172.8594 62 P 4.4249 0.0000 0.0000 63.3773 32.0024 175.5732 63 A 4.7660 8.6529 123.6879 50.5334 23.6346 174.4239 64 R 4.9318 8.6429 118.0743 55.0328 32.1017 176.2919 65 V 4.7942 8.8670 123.3835 61.1367 35.2932 173.9427 66 Q 4.7506 8.6670 126.3259 54.0745 31.0555 174.0959 67 L 4.7843 8.4157 127.2201 53.3149 44.6449 174.4006 68 Y 5.0655 8.9501 124.6830 56.3979 40.1158 174.8386 69 S 5.1881 9.1095 118.8708 56.4993 66.6398 173.8895 70 D 5.3309 8.8701 123.2613 53.0419 39.9670 175.6566 71 S 4.6106 8.3724 116.1309 57.6798 62.8721 174.1548 72 A 4.0842 8.7346 132.5125 55.1923 18.1055 177.9854 73 Y 4.4311 8.3506 117.7659 61.1525 38.9463 178.2631 74 L 4.1169 8.2340 120.7505 58.3735 42.3486 179.1355 75 V 3.5282 7.9783 118.2078 65.9755 31.3752 177.7665 76 N 3.8551 8.6207 116.5052 55.9193 38.2912 177.1182 77 A 3.4768 7.4615 122.2693 55.2922 18.1153 179.6721 78 M 3.6169 7.2195 115.4952 58.0316 32.1776 178.0799 79 N 4.4846 7.9643 114.3588 53.9169 39.1951 176.2134 80 E 4.1868 7.3107 118.7911 55.1232 30.0819 176.5643 81 G 3.7212 7.3445 107.0004 46.1157 0.0000 175.9149 82 W 3.7352 7.1111 121.4002 59.0410 28.9264 178.0402 83 L 3.1134 6.7615 120.1785 57.7757 41.3635 179.0012 84 K 3.7747 7.5148 118.9251 59.4251 32.1188 178.8382 85 R 3.7949 7.5415 118.2194 58.8009 29.8456 179.0390 86 W 4.1502 7.6223 118.8155 59.5797 28.9483 178.3267 87 V 2.6266 7.0109 118.3418 65.8651 30.6280 178.3427 88 K 4.0084 7.4536 116.3984 58.9658 32.1247 177.2871 89 N 4.8425 8.1274 117.7580 52.6618 39.6706 174.6618 90 G 3.6378 8.1141 104.2990 46.3310 0.0000 174.2228 91 W 3.6366 8.2366 115.0641 57.4508 27.4934 174.5461 92 K 5.0087 7.3054 114.2502 54.9696 34.7698 176.4931 93 T 4.4229 8.2390 114.6721 62.0551 70.3379 173.3779 *95 A 4.3548 7.7686 130.8655 52.0400 19.3336 178.0692 96 K 4.5574 8.4810 115.5371 57.0538 32.9755 175.8515 97 K 4.2050 7.8714 121.1717 55.4575 33.2571 174.3256 98 P 4.8206 0.0000 0.0000 62.5058 31.9433 176.4166 99 V 3.4543 8.4468 124.6260 63.1251 31.9272 175.8131 100 E 4.1753 8.6345 126.2867 57.3124 30.3902 175.8732 101 N 4.3459 8.7517 116.2082 54.6189 36.1114 177.0062 102 I 3.4454 7.9207 120.7435 64.3763 36.9820 176.9468 103 D 4.2293 7.9790 119.3909 56.8019 38.8239 178.9356 104 L 3.8579 7.5782 119.7462 57.0570 41.7278 179.1987 105 W 4.5759 7.8551 118.8660 60.0817 29.1481 178.6096 106 Q 4.2070 8.3968 118.2872 58.9066 28.0939 178.6215 107 E 4.0192 7.8926 119.7720 59.4114 29.4332 179.3625 108 I 3.8285 8.0466 119.9407 64.3225 36.8865 178.3882 109 L 4.1067 8.3934 119.9383 57.8511 41.5862 179.7842 110 K 4.0953 8.0349 117.8483 59.6297 32.0475 179.5370 111 L 4.1462 8.1871 119.4154 57.4560 41.3387 178.6428 112 T 4.4651 8.0351 107.3035 62.8520 69.1750 176.0925 113 T 4.2400 7.2886 117.6416 66.1825 69.0304 176.5999 114 L 4.0705 7.7653 120.0406 56.3554 41.9569 176.9233 115 H 5.0734 7.4750 113.6211 53.9233 32.3691 174.7818 116 R 4.3908 8.6945 120.6485 55.2253 30.6514 175.2606 117 V 4.8139 8.2802 124.0157 60.9236 33.9413 174.6027 118 T 4.6779 8.4995 117.5746 59.8907 71.4449 172.8838 119 F 5.0417 8.6715 122.3248 56.0910 41.7375 174.7375 120 H 4.7718 8.8039 119.0733 53.8017 32.5651 172.5376 121 K 4.8468 8.8818 125.0248 56.2946 33.1401 176.2174 122 V 4.5707 8.8339 120.0603 59.6491 35.2389 175.6137 123 K 4.1706 8.6572 123.4385 55.1335 30.4607 175.3109 124 G 4.2157 8.0068 108.2197 44.8847 0.0000 171.0619 *126 S 4.1161 8.3428 120.9921 58.1459 62.3555 173.3307 127 D 5.0164 8.4562 126.1651 53.6162 41.7760 176.4931 128 N 4.3743 7.8651 118.6236 51.8875 38.1980 174.4442 129 P 4.0873 0.0000 0.0000 65.5234 31.3550 178.3738 130 Y 4.1083 7.4420 116.7260 60.7313 37.9199 177.5822 131 N 4.5738 8.3054 116.7597 56.2340 38.6330 177.5413 132 S 4.1139 8.0613 116.9374 61.4704 62.8092 176.6355 133 R 3.8550 7.9490 120.9529 59.3883 29.8859 178.3283 134 A 4.0565 8.1627 120.5883 55.2629 18.3789 179.1001 135 D 4.9168 8.4483 118.1232 57.0389 41.3035 177.9948 136 E 3.9428 8.3655 119.8705 59.3687 29.6251 178.8155 137 L 3.9681 8.2980 119.0079 57.6854 41.7202 179.3768 138 A 4.0789 8.0816 120.7171 55.3283 18.3460 179.9884 139 R 3.9539 8.1127 116.5973 59.1353 30.0661 179.1926 140 L 3.9379 8.3836 119.1935 57.7560 41.6767 179.3440 141 A 3.8919 7.9720 120.6009 55.1771 18.0324 179.7717 142 I 3.7974 7.4073 116.8552 64.4101 37.2769 178.2697 143 K 4.0476 7.8956 119.2937 59.6349 32.1343 178.5326 144 E 3.9048 8.0391 117.7002 57.2782 29.3954 176.7242 145 N 3.8013 7.3957 119.8900 53.2754 39.0342 173.8908 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 4.28 0.00 1.91 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 2.19 2.40 0.00 3 K 7.63 4.00 0.00 1.59 1.23 0.00 1.32 0.00 0.00 0.78 0.00 0.00 2.53 0.00 0.00 2.40 0.00 0.00 0.00 0.00 0.96 1.27 7.81 4 T 9.37 5.07 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 1.24 0.00 0.00 5 I 8.76 4.85 1.82 0.00 0.00 0.70 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 0.60 0.92 0.00 0.00 6 T 8.63 4.98 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 1.10 0.00 0.00 7 I 8.52 5.06 1.77 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.65 0.93 0.00 0.00 8 Y 9.30 5.28 0.00 2.96 3.02 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 9 T 8.72 5.32 4.36 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 1.30 0.00 0.00 10 D 9.12 4.88 0.00 2.91 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 11 G 8.74 4.72 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 0.00 12 A 9.24 5.05 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 13 A 8.42 5.11 1.20 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 0.00 0.00 14 S 8.85 4.40 0.00 3.80 3.94 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 15 G 7.26 4.05 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 N 8.40 5.07 0.00 2.64 2.66 0.00 0.00 6.81 7.69 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 17 P 0.00 4.85 0.00 2.08 2.01 0.00 3.85 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.94 0.00 18 G 8.46 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 0.00 0.00 0.00 0.00 19 K 8.70 4.71 0.00 1.82 1.96 0.00 1.72 0.00 0.00 2.02 0.00 0.00 2.96 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.78 1.53 7.81 20 G 9.16 4.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 9.24 4.82 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 0.00 0.00 0.00 22 W 8.64 5.85 0.00 3.44 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 23 G 9.56 4.75 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 0.00 0.00 0.00 24 A 9.38 5.47 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 25 L 9.24 5.15 0.00 1.85 1.71 0.98 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 26 L 9.15 5.24 0.00 1.68 1.58 1.03 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 27 M 9.31 5.21 0.00 1.82 1.92 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.42 0.00 28 Y 8.77 4.49 0.00 3.00 2.82 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 29 G 8.49 3.36 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 0.00 30 S 8.57 4.41 0.00 3.97 3.94 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 31 S 7.93 4.69 0.00 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 0.00 32 R 8.13 5.27 0.00 1.82 1.74 0.00 3.26 0.00 0.00 3.38 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.66 0.00 33 K 9.25 4.72 0.00 1.89 1.61 0.00 1.55 0.00 0.00 1.68 0.00 0.00 2.96 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.37 1.48 7.81 34 E 8.99 5.40 0.00 1.88 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 2.25 2.30 0.00 35 I 8.61 4.96 2.14 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 1.58 1.14 1.02 0.00 0.00 36 S 8.19 4.10 0.00 3.55 3.64 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 37 G 6.15 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 0.00 0.00 0.00 38 Y 8.30 5.35 0.00 2.93 2.74 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.11 4.57 0.00 2.67 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 0.00 0.00 0.00 40 P 0.00 3.95 0.00 2.21 2.24 0.00 3.28 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.92 0.00 41 A 7.93 4.44 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 42 T 8.89 4.54 4.51 0.00 0.00 0.00 0.00 0.00 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 43 T 8.17 4.91 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 1.19 0.00 0.00 44 N 8.95 4.29 0.00 2.81 3.11 0.00 0.00 6.81 6.92 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 45 N 8.03 4.37 0.00 2.41 2.21 0.00 0.00 7.07 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 46 R 7.98 3.93 0.00 1.95 1.92 0.00 3.18 0.00 0.00 3.12 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.62 0.00 47 M 8.23 4.22 0.00 2.36 2.17 0.00 0.00 0.00 0.00 0.00 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.84 2.88 0.00 48 E 8.51 4.06 0.00 2.31 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 0.00 2.43 2.53 0.00 49 L 7.96 3.93 0.00 1.66 1.36 -0.17 0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 50 M 8.29 3.67 0.00 1.86 1.95 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 2.06 0.00 51 A 8.18 4.00 1.65 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 0.00 0.00 52 A 7.62 3.97 1.50 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 53 I 7.71 3.57 1.78 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.69 0.77 0.00 0.00 54 K 8.06 3.89 0.00 0.99 1.40 0.00 1.45 0.00 0.00 1.56 0.00 0.00 2.64 0.00 0.00 2.68 0.00 0.00 0.00 0.00 0.73 0.21 7.81 55 G 7.87 3.63 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 56 L 8.06 4.07 0.00 1.82 1.74 0.98 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 57 E 8.38 4.05 0.00 2.01 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 2.33 2.46 0.00 58 A 7.60 4.25 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 59 L 7.15 4.11 0.00 1.70 1.56 0.62 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 60 K 8.64 4.19 0.00 1.72 1.86 0.00 1.70 0.00 0.00 1.75 0.00 0.00 3.02 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.44 1.41 7.81 61 E 7.62 4.75 0.00 1.99 1.84 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 2.11 2.28 0.00 62 P 0.00 4.42 0.00 1.93 2.15 0.00 3.61 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.05 0.00 63 A 8.65 4.77 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 64 R 8.64 4.93 0.00 1.78 1.83 0.00 3.07 0.00 0.00 3.09 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.55 0.00 65 V 8.87 4.79 1.92 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 0.91 0.00 0.00 0.81 0.00 0.00 66 Q 8.67 4.75 0.00 2.03 1.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.54 0.00 0.00 0.00 0.00 0.00 2.22 2.22 0.00 67 L 8.42 4.78 0.00 1.22 0.80 0.79 0.65 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 68 Y 8.95 5.07 0.00 2.52 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 69 S 9.11 5.19 0.00 3.99 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 70 D 8.87 5.33 0.00 3.06 2.98 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 71 S 8.37 4.61 0.00 4.06 3.95 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 0.00 0.00 0.00 72 A 8.73 4.08 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 73 Y 8.35 4.43 0.00 3.17 3.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 L 8.23 4.12 0.00 1.91 1.76 0.88 1.13 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 75 V 7.98 3.53 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 0.93 0.00 0.00 1.03 0.00 0.00 76 N 8.62 3.86 0.00 2.70 1.70 0.00 0.00 6.89 7.29 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 77 A 7.46 3.48 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 M 7.22 3.62 0.00 1.38 1.49 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 2.31 0.00 79 N 7.96 4.48 0.00 2.50 2.68 0.00 0.00 7.00 7.52 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 80 E 7.31 4.19 0.00 1.16 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 1.56 1.47 0.00 81 G 7.34 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 0.00 0.00 0.00 82 W 7.11 3.74 0.00 2.38 1.77 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 83 L 6.76 3.11 0.00 1.09 1.25 1.11 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 84 K 7.51 3.77 0.00 1.69 1.73 0.00 1.68 0.00 0.00 1.71 0.00 0.00 2.87 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.37 1.42 7.81 85 R 7.54 3.79 0.00 1.88 1.81 0.00 3.24 0.00 0.00 3.08 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.54 0.00 86 W 7.62 4.15 0.00 3.02 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 87 V 7.01 2.63 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 0.93 0.00 0.00 0.71 0.00 0.00 88 K 7.45 4.01 0.00 1.84 1.82 0.00 1.58 0.00 0.00 1.57 0.00 0.00 2.92 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.40 1.36 7.81 89 N 8.13 4.84 0.00 2.86 2.77 0.00 0.00 6.94 7.86 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 90 G 8.11 3.64 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 0.00 0.00 0.00 91 W 8.24 3.64 0.00 3.58 3.27 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 92 K 7.31 5.01 0.00 1.90 1.68 0.00 1.80 0.00 0.00 1.66 0.00 0.00 3.15 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.38 1.59 7.81 93 T 8.24 4.42 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 1.11 0.00 0.00 *95 A 7.77 4.35 1.21 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 0.00 0.00 96 K 8.48 4.56 0.00 1.73 1.80 0.00 1.75 0.00 0.00 1.63 0.00 0.00 2.89 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.34 1.38 7.81 97 K 7.87 4.20 0.00 1.82 1.53 0.00 1.70 0.00 0.00 1.79 0.00 0.00 2.82 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.47 1.45 7.81 98 P 0.00 4.82 0.00 1.96 1.98 0.00 3.73 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 2.02 2.09 0.00 99 V 8.45 3.45 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 0.14 0.00 0.00 0.14 0.00 0.00 100 E 8.63 4.18 0.00 2.11 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 2.30 2.32 0.00 101 N 8.75 4.35 0.00 2.97 2.76 0.00 0.00 6.98 7.48 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 0.00 102 I 7.92 3.45 1.59 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.70 -0.17 0.00 0.00 103 D 7.98 4.23 0.00 2.76 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 0.00 104 L 7.58 3.86 0.00 1.44 1.42 0.75 0.82 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 0.00 105 W 7.86 4.58 0.00 3.50 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 0.00 106 Q 8.40 4.21 0.00 2.17 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.81 0.00 0.00 0.00 0.00 0.00 2.32 2.06 0.00 107 E 7.89 4.02 0.00 2.09 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 2.47 2.43 0.00 108 I 8.05 3.83 2.30 0.00 0.00 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.69 1.11 0.00 0.00 109 L 8.39 4.11 0.00 2.07 1.86 1.29 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 110 K 8.03 4.10 0.00 2.04 1.88 0.00 1.69 0.00 0.00 1.67 0.00 0.00 2.96 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.50 1.67 7.81 111 L 8.19 4.15 0.00 1.77 1.79 0.97 0.47 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 0.00 112 T 8.04 4.47 4.37 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 1.53 0.00 0.00 113 T 7.29 4.24 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 1.22 0.00 0.00 114 L 7.77 4.07 0.00 1.63 1.44 0.89 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 115 H 7.47 5.07 0.00 3.09 3.23 0.00 5.64 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 R 8.69 4.39 0.00 1.77 1.88 0.00 3.06 0.00 0.00 3.09 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.56 0.00 117 V 8.28 4.81 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 0.06 0.00 0.00 0.89 0.00 0.00 118 T 8.50 4.68 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 1.17 0.00 0.00 119 F 8.67 5.04 0.00 2.92 2.89 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 0.00 120 H 8.80 4.77 0.00 2.25 3.02 0.00 5.61 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 K 8.88 4.85 0.00 1.79 1.76 0.00 1.88 0.00 0.00 1.77 0.00 0.00 3.15 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.47 1.61 7.81 122 V 8.83 4.57 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 1.13 0.00 0.00 1.21 0.00 0.00 123 K 8.66 4.17 0.00 1.79 1.81 0.00 1.81 0.00 0.00 1.76 0.00 0.00 3.03 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.47 1.41 7.81 124 G 8.01 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 0.00 0.00 0.00 *126 S 8.34 4.12 0.00 4.09 3.86 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 0.00 127 D 8.46 5.02 0.00 2.64 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 0.00 128 N 7.87 4.37 0.00 2.84 2.91 0.00 0.00 5.94 7.76 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 0.00 129 P 0.00 4.09 0.00 1.71 1.99 0.00 3.17 0.00 0.00 3.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 1.37 0.00 130 Y 7.44 4.11 0.00 1.80 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 0.00 0.00 0.00 131 N 8.31 4.57 0.00 2.90 2.98 0.00 0.00 7.10 7.57 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 0.00 132 S 8.06 4.11 0.00 4.02 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 0.00 133 R 7.95 3.86 0.00 2.05 2.12 0.00 3.24 0.00 0.00 3.18 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.73 0.00 134 A 8.16 4.06 1.56 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 0.00 0.00 0.00 135 D 8.45 4.92 0.00 2.91 2.85 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 0.00 136 E 8.37 3.94 0.00 2.19 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 2.30 2.35 0.00 137 L 8.30 3.97 0.00 1.91 1.66 0.97 1.05 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 0.00 138 A 8.08 4.08 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 0.00 139 R 8.11 3.95 0.00 1.89 1.99 0.00 3.15 0.00 0.00 3.18 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.83 0.00 140 L 8.38 3.94 0.00 1.78 1.67 0.90 0.54 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 0.00 141 A 7.97 3.89 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 0.00 142 I 7.41 3.80 2.04 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 1.62 0.85 1.00 0.00 0.00 143 K 7.90 4.05 0.00 1.81 1.94 0.00 1.78 0.00 0.00 1.68 0.00 0.00 3.00 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.41 1.45 7.81 144 E 8.04 3.90 0.00 1.85 1.89 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 2.28 2.54 0.00 145 N 7.40 3.80 0.00 2.67 2.53 0.00 0.00 6.85 7.76 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 * Residues marked with a * may have inaccurate shift predictions.