NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 4.3979 8.3349 116.8056 57.7029 65.1202 174.3221 3 N 4.3763 8.3930 116.0235 52.3565 37.8382 172.9294 4 T 4.3365 9.1602 120.3692 63.9785 70.1056 173.7205 5 L 4.8354 8.2927 120.6813 54.8945 43.9400 176.4906 6 F 5.0520 7.8559 118.4469 57.7300 42.8034 172.0890 7 D 4.4642 6.0500 119.9874 52.9130 44.0178 173.8990 8 D 4.3482 7.9331 123.1853 54.0568 45.8641 175.3326 9 I 4.6312 7.5827 124.9659 60.4727 38.3728 175.0537 10 F 4.8673 9.4557 126.8376 56.4065 41.3610 174.9098 11 Q 4.8094 9.4164 123.6818 54.1405 31.2888 174.8279 12 V 4.1956 8.5450 127.8001 63.3140 31.9806 176.2156 13 S 4.5493 9.6437 124.1624 59.4939 64.5910 174.2184 14 E 4.7596 7.7930 119.5275 55.0324 32.9767 174.1627 15 V 4.5730 8.5854 126.5214 60.1061 33.3815 174.0992 16 D 4.9346 8.6696 125.7070 51.1628 43.8112 174.7263 17 P 4.9215 0.0000 0.0000 61.1980 30.4729 176.4013 18 G 4.0671 7.7301 111.9923 47.4375 0.0000 171.3660 19 R 3.7335 7.8303 118.8818 57.6999 27.8608 175.7234 20 Y 5.1045 7.4692 112.2137 56.8055 42.2542 174.9756 21 N 4.9295 8.9741 116.4870 53.6973 40.9803 175.8150 22 K 4.6116 8.0252 114.5180 56.0373 33.9499 176.0638 23 V 5.0000 7.6335 118.8970 61.4484 35.1118 174.2171 24 C 4.9996 8.8058 121.9884 58.2753 33.1986 172.8942 25 R 4.8593 8.5815 123.8235 55.3890 31.2357 174.8416 26 I 4.8754 9.5395 127.3410 59.1518 41.2425 173.4995 27 E 5.1506 9.0251 128.1339 54.4368 32.1487 174.5235 28 A 5.1505 9.4250 127.3763 50.8156 23.4790 174.3791 29 A 5.3710 8.7781 119.8913 50.1329 23.0072 176.2622 30 S 4.3188 8.0461 115.3259 58.4469 63.4251 174.5418 31 T 4.2465 8.0320 111.4200 63.3861 69.4566 176.4053 32 T 4.0903 7.7413 111.6190 63.3248 69.4028 174.8609 33 Q 4.6040 7.6504 119.5572 54.0761 32.1172 174.9255 34 D 4.6103 8.8904 122.0056 56.1951 41.5242 176.8052 35 Q 4.6118 7.9201 115.7289 56.3507 29.3381 174.5786 36 C 5.4685 7.8234 117.5216 57.7613 35.3236 172.4759 37 K 5.2662 8.5288 122.8553 55.3478 36.9961 174.5561 38 L 5.0620 9.6616 124.0984 53.9753 45.7784 174.8531 39 T 5.1741 8.8400 122.5423 61.8520 71.6049 172.9237 40 L 4.9985 8.9100 126.6364 53.9446 46.2631 173.9548 41 D 5.1743 9.1332 126.8855 53.8411 41.6218 175.8564 42 I 4.4519 8.7408 125.2159 59.1634 40.6056 174.9128 43 N 4.8124 10.5816 126.2173 53.4790 39.1493 174.5640 44 V 4.0802 8.5228 126.3660 63.0962 31.5324 176.1156 45 E 4.3193 8.6501 121.4427 58.1953 30.2871 177.6428 46 L 4.1410 8.3857 117.4144 57.1653 41.9096 177.3042 47 F 4.9988 8.0967 124.5633 55.1295 39.6773 172.2396 48 P 4.1769 0.0000 0.0000 62.1162 31.8265 176.4737 49 V 3.9240 7.8472 120.6733 60.9636 33.9747 174.7565 50 A 4.5305 8.6228 129.9545 49.7617 21.0373 176.0058 51 A 3.9815 8.3449 122.0123 53.9971 19.0972 177.6149 52 Q 3.3943 8.4169 118.7251 57.5087 26.7247 175.7612 53 D 4.7227 7.6480 116.6081 52.4915 41.9574 177.6455 54 S 4.8983 8.5583 119.5274 58.6427 61.5803 173.7290 55 L 4.6220 8.4004 124.0698 54.2261 43.7718 175.3595 56 T 5.1464 8.3660 118.4970 62.0787 71.2669 173.8554 57 V 5.0500 8.8070 124.5475 61.8566 35.5236 174.2534 58 T 5.3411 8.5676 121.1407 62.4610 73.6993 172.6538 59 I 5.7119 8.8141 122.4521 57.8278 41.4823 175.2123 60 A 4.9768 8.9155 128.3874 49.7011 22.0348 178.4595 61 S 6.3000 8.3010 122.9515 60.9691 64.7551 176.2271 62 S 4.5974 6.5525 125.6691 60.0263 67.4126 180.1230 63 L 3.9682 8.8932 115.5636 53.9024 39.1255 177.6174 *76 T 4.0299 7.3811 113.1798 63.8061 69.5401 175.5575 77 R 3.5202 8.2515 128.5665 57.0114 29.0183 175.7967 78 S 4.7422 8.3559 114.0769 57.1156 64.4956 174.0788 79 W 4.4185 8.6430 134.2189 56.7098 30.9130 175.7426 80 R 4.2482 7.7423 124.8096 53.6539 31.1487 174.6528 81 P 3.2843 0.0000 0.0000 61.7448 32.0529 174.5899 82 P 4.0062 0.0000 0.0000 65.9986 31.8112 177.6595 83 Q 3.0718 7.9003 117.0262 57.0273 27.2833 174.1201 84 A 4.4761 7.6706 115.6187 52.1020 18.7895 179.8858 85 G 3.8185 8.4417 112.4483 49.8945 0.0000 175.2012 86 D 4.7249 7.5441 118.2317 52.4591 41.9960 173.8105 87 R 4.7108 7.4988 120.0400 54.3469 34.5587 175.4890 88 S 4.4159 8.0989 111.2978 57.8790 65.1129 174.2805 89 L 4.7549 8.1540 124.4424 52.3215 44.7905 177.6072 90 A 4.1694 8.3246 120.2055 52.9815 17.5991 177.7033 91 D 4.9475 8.4714 120.1048 53.9253 38.7184 175.6550 92 D 4.6568 8.6890 123.2665 54.2601 41.1453 176.0979 93 Y 4.5886 7.6232 116.8503 56.2783 40.0970 174.0615 94 D 4.3799 7.7156 122.0793 56.2564 40.2486 176.4390 95 Y 4.1754 7.6581 119.2952 57.5643 41.0463 174.8717 96 V 4.7622 7.6808 125.7455 62.0532 34.6804 173.2300 97 M 4.7926 8.9962 126.9114 53.5354 36.3367 173.7377 98 Y 4.9251 8.3435 119.7938 56.5301 41.8358 174.3374 99 G 3.8661 7.6360 112.3340 45.7029 0.0000 171.3495 100 T 4.8305 8.4301 115.3779 61.3079 72.3828 173.9776 101 A 3.8058 8.7366 127.8057 52.2313 18.7418 176.8212 102 Y 4.8651 7.7793 115.7647 56.5847 40.9465 175.3767 103 K 4.5312 6.8477 118.9072 55.2326 37.0046 174.6441 104 F 4.7888 9.0504 123.2408 55.8911 40.8040 174.1827 105 E 4.6762 9.6321 126.5408 54.4070 32.1049 174.1299 106 E 4.7109 8.6584 126.3705 53.8070 31.1345 176.7188 107 V 3.9426 7.8095 131.9722 63.9770 31.1665 175.0764 108 S 3.0816 8.3799 114.8035 60.8039 63.6504 175.7133 109 K 3.6306 7.7174 113.9568 57.9546 35.6040 174.1512 110 D 4.7744 7.5649 123.0494 51.4761 41.6910 176.1609 111 L 4.3416 7.9429 121.5100 54.9040 42.8002 175.9929 112 I 4.9212 8.4798 122.0988 59.2324 42.0036 173.8114 113 A 4.9514 9.2568 128.1132 50.3540 22.6307 175.5291 114 V 4.2570 8.3726 115.1570 59.4804 35.2771 174.3566 115 Y 4.9257 7.6812 120.4086 56.3023 40.7175 174.4871 116 Y 5.0982 9.0126 121.5020 56.0720 42.0588 174.5291 117 S 4.6849 8.8360 116.4380 56.4712 65.7355 173.4023 118 F 4.6562 8.9108 126.9426 56.2727 38.1395 175.7931 119 G 3.9819 9.1799 113.3740 46.5593 0.0000 170.6892 120 G 4.0225 8.0813 106.8584 45.3100 0.0000 174.2368 121 L 4.2813 8.0627 120.6260 54.5043 42.4210 176.8019 122 L 5.1459 9.9849 125.5855 53.8376 44.3088 175.5674 123 M 5.3238 8.9659 120.2910 54.0361 36.2107 173.8172 124 R 4.8296 9.1885 125.5374 54.4678 33.3622 173.4690 125 L 5.0529 8.4179 127.9824 53.3052 45.9330 174.9018 126 E 4.8574 8.7092 124.9697 53.9788 33.2387 172.7939 127 G 3.8430 8.8660 119.3707 45.9917 0.0000 172.9706 128 N 4.8415 8.0290 121.1670 54.8428 44.9490 175.0952 129 Y 4.3795 6.9280 111.7808 58.1624 37.9201 177.3183 130 R 4.4538 7.0670 117.5775 56.9478 30.6423 178.1103 131 N 4.8272 7.9803 120.8296 53.1229 38.2206 178.2158 132 L 4.4562 8.8447 124.3116 55.9308 39.9281 174.8810 133 N 5.0036 7.6500 113.2795 54.4010 41.5359 176.7635 134 N 4.8004 8.7406 122.0725 53.0044 38.0354 175.2820 135 L 4.2078 8.3302 122.3537 53.7985 43.2800 178.9576 136 K 4.2536 8.2835 115.9454 57.8339 31.5106 177.2239 137 Q 4.1657 8.7564 120.7596 56.0344 28.9145 176.7218 138 E 4.1440 8.8765 121.3858 56.9281 29.9322 176.8701 139 N 4.7281 7.8308 118.0666 54.6154 39.3058 172.5369 140 A 3.9398 9.1412 128.5113 53.6048 18.3535 176.4577 141 Y 5.1506 8.6100 119.5801 56.2481 41.5976 174.4844 142 L 5.0267 8.4722 124.8567 53.5859 44.8267 175.1346 143 L 4.9826 8.4407 124.4016 52.9680 45.4748 175.4485 144 I 5.8491 9.0406 124.3344 58.5134 40.7252 174.8232 145 R 4.6160 8.4236 121.0380 54.7553 33.5382 175.5554 146 R 4.1197 8.7919 118.1446 56.9919 30.9146 176.2814 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 S 8.33 4.40 0.00 3.91 4.02 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 3 N 8.39 4.38 0.00 2.88 3.18 0.00 0.00 6.92 6.65 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 4 T 9.16 4.34 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 1.29 0.00 0.00 5 L 8.29 4.84 0.00 1.75 1.97 1.09 0.81 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 6 F 7.86 5.05 0.00 3.20 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 7 D 6.05 4.46 0.00 2.53 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 8 D 7.93 4.35 0.00 2.52 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 0.00 0.00 0.00 9 I 7.58 4.63 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 1.37 1.26 0.96 0.00 0.00 10 F 9.46 4.87 0.00 3.05 3.05 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 11 Q 9.42 4.81 0.00 2.13 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.99 0.00 0.00 0.00 0.00 0.00 2.27 2.35 0.00 12 V 8.54 4.20 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 1.07 0.00 0.00 0.99 0.00 0.00 13 S 9.64 4.55 0.00 3.80 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 14 E 7.79 4.76 0.00 2.03 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 2.26 2.28 0.00 15 V 8.59 4.57 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 0.77 0.00 0.00 0.91 0.00 0.00 16 D 8.67 4.93 0.00 2.81 2.55 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 0.00 17 P 0.00 4.92 0.00 2.28 2.21 0.00 3.76 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.95 0.00 18 G 7.73 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 0.00 0.00 0.00 19 R 7.83 3.73 0.00 1.69 1.68 0.00 3.20 0.00 0.00 3.12 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.46 0.00 20 Y 7.47 5.10 0.00 3.20 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 21 N 8.97 4.93 0.00 2.73 2.86 0.00 0.00 6.75 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 K 8.03 4.61 0.00 1.67 1.81 0.00 2.02 0.00 0.00 1.76 0.00 0.00 2.80 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.45 1.41 7.81 23 V 7.63 5.00 1.75 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 0.69 0.00 0.00 0.81 0.00 0.00 24 C 8.81 5.00 0.00 2.87 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 25 R 8.58 4.86 0.00 2.05 1.84 0.00 3.10 0.00 0.00 3.14 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.60 0.00 26 I 9.54 4.88 1.83 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 1.08 1.42 0.91 0.00 0.00 27 E 9.03 5.15 0.00 2.10 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 2.20 2.29 0.00 28 A 9.42 5.15 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 0.00 0.00 0.00 0.00 0.00 29 A 8.78 5.37 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 30 S 8.05 4.32 0.00 3.61 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 31 T 8.03 4.25 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 1.21 0.00 0.00 32 T 7.74 4.09 4.16 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 0.00 0.00 1.16 0.00 0.00 33 Q 7.65 4.60 0.00 2.03 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.49 6.96 0.00 0.00 0.00 0.00 0.00 2.20 2.31 0.00 34 D 8.89 4.61 0.00 2.69 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 35 Q 7.92 4.61 0.00 2.15 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.69 0.00 0.00 0.00 0.00 0.00 2.32 2.46 0.00 36 C 7.82 5.47 0.00 3.08 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 37 K 8.53 5.27 0.00 1.73 1.67 0.00 1.71 0.00 0.00 1.77 0.00 0.00 2.83 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.50 1.50 7.81 38 L 9.66 5.06 0.00 1.36 1.15 0.68 0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 39 T 8.84 5.17 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 1.24 0.00 0.00 40 L 8.91 5.00 0.00 1.66 1.40 1.09 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 41 D 9.13 5.17 0.00 2.63 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 42 I 8.74 4.45 1.77 0.00 0.00 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.85 0.67 0.00 0.00 43 N 10.58 4.81 0.00 2.71 2.97 0.00 0.00 6.66 7.59 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 44 V 8.52 4.08 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 0.70 0.00 0.00 0.93 0.00 0.00 45 E 8.65 4.32 0.00 2.00 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 2.29 2.29 0.00 46 L 8.39 4.14 0.00 1.84 1.79 0.86 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 47 F 8.10 5.00 0.00 3.18 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 48 P 0.00 4.18 0.00 1.91 1.87 0.00 3.60 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.04 0.00 49 V 7.85 3.92 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 0.71 0.00 0.00 0.65 0.00 0.00 50 A 8.62 4.53 1.22 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 51 A 8.34 3.98 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 52 Q 8.42 3.39 0.00 2.18 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.86 0.00 0.00 0.00 0.00 0.00 2.53 2.51 0.00 53 D 7.65 4.72 0.00 2.72 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 54 S 8.56 4.90 0.00 3.80 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 55 L 8.40 4.62 0.00 1.74 1.71 0.99 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 56 T 8.37 5.15 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 1.30 0.00 0.00 57 V 8.81 5.05 2.45 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 1.10 0.00 0.00 0.95 0.00 0.00 58 T 8.57 5.34 4.13 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 1.33 0.00 0.00 59 I 8.81 5.71 2.00 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 1.52 1.42 0.88 0.00 0.00 60 A 8.92 4.98 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 S 8.30 6.30 0.00 4.50 4.16 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 0.00 0.00 0.00 62 S 6.55 4.60 0.00 3.94 3.12 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 0.00 0.00 0.00 63 L 8.89 3.97 0.00 1.63 1.63 0.90 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 *76 T 7.38 4.03 4.29 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 1.26 0.00 0.00 77 R 8.25 3.52 0.00 1.95 1.89 0.00 3.18 0.00 0.00 3.16 7.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.61 0.00 78 S 8.36 4.74 0.00 3.86 3.76 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 79 W 8.64 4.42 0.00 3.21 3.09 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 0.00 0.00 0.00 80 R 7.74 4.25 0.00 1.51 1.58 0.00 3.17 0.00 0.00 3.10 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.51 0.00 81 P 0.00 3.28 0.00 1.86 1.90 0.00 3.48 0.00 0.00 3.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 2.08 0.00 82 P 0.00 4.01 0.00 2.00 2.12 0.00 3.74 0.00 0.00 3.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.19 0.00 83 Q 7.90 3.07 0.00 2.06 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 7.29 0.00 0.00 0.00 0.00 0.00 2.31 2.29 0.00 84 A 7.67 4.48 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 85 G 8.44 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 0.00 0.00 0.00 86 D 7.54 4.72 0.00 2.59 2.54 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.50 4.71 0.00 1.70 1.76 0.00 3.35 0.00 0.00 3.23 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.62 0.00 88 S 8.10 4.42 0.00 3.91 3.79 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 L 8.15 4.75 0.00 1.90 1.50 0.94 0.89 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 90 A 8.32 4.17 1.22 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 91 D 8.47 4.95 0.00 2.84 2.78 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 92 D 8.69 4.66 0.00 2.24 2.54 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 7.62 4.59 0.00 2.85 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 94 D 7.72 4.38 0.00 1.94 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 0.00 0.00 0.00 95 Y 7.66 4.18 0.00 2.69 2.53 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 96 V 7.68 4.76 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 0.85 0.00 0.00 0.87 0.00 0.00 97 M 9.00 4.79 0.00 1.31 0.87 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 2.34 2.12 0.00 98 Y 8.34 4.93 0.00 2.62 2.67 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 99 G 7.64 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 0.00 0.00 0.00 100 T 8.43 4.83 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 1.21 0.00 0.00 101 A 8.74 3.81 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 Y 7.78 4.87 0.00 2.80 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 0.00 103 K 6.85 4.53 0.00 1.23 1.71 0.00 1.63 0.00 0.00 1.85 0.00 0.00 2.85 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.40 1.27 7.81 104 F 9.05 4.79 0.00 2.76 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 0.00 105 E 9.63 4.68 0.00 2.20 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 2.26 2.29 0.00 106 E 8.66 4.71 0.00 2.00 1.82 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 2.38 2.26 0.00 107 V 7.81 3.94 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 0.85 0.00 0.00 0.97 0.00 0.00 108 S 8.38 3.08 0.00 4.11 4.02 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 0.00 109 K 7.72 3.63 0.00 1.96 2.05 0.00 1.52 0.00 0.00 1.76 0.00 0.00 3.08 0.00 0.00 3.22 0.00 0.00 0.00 0.00 1.34 1.42 7.81 110 D 7.56 4.77 0.00 2.74 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 0.00 111 L 7.94 4.34 0.00 1.83 1.59 0.92 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 112 I 8.48 4.92 1.82 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 1.25 1.47 0.82 0.00 0.00 113 A 9.26 4.95 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 V 8.37 4.26 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.59 0.00 0.00 0.76 0.00 0.00 115 Y 7.68 4.93 0.00 1.68 1.88 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 0.00 116 Y 9.01 5.10 0.00 2.67 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 0.00 0.00 0.00 0.00 117 S 8.84 4.68 0.00 3.59 3.46 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 0.00 118 F 8.91 4.66 0.00 3.18 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 0.00 119 G 9.18 3.98 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 0.00 0.00 0.00 120 G 8.08 4.02 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 0.00 0.00 0.00 121 L 8.06 4.28 0.00 1.96 1.79 1.05 0.49 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 0.00 122 L 9.98 5.15 0.00 1.76 1.69 0.96 -0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 123 M 8.97 5.32 0.00 2.20 2.15 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.48 0.00 124 R 9.19 4.83 0.00 1.90 1.69 0.00 3.19 0.00 0.00 3.07 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.82 0.00 125 L 8.42 5.05 0.00 1.62 1.24 0.81 -0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 126 E 8.71 4.86 0.00 1.92 1.66 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 0.00 2.14 2.35 0.00 127 G 8.87 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 0.00 128 N 8.03 4.84 0.00 2.68 2.67 0.00 0.00 6.66 7.56 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 0.00 129 Y 6.93 4.38 0.00 3.20 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 0.00 130 R 7.07 4.45 0.00 1.84 1.97 0.00 2.91 0.00 0.00 2.97 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.57 0.00 131 N 7.98 4.83 0.00 2.78 1.99 0.00 0.00 7.13 7.85 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 0.00 132 L 8.84 4.46 0.00 1.67 1.68 0.94 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 133 N 7.65 5.00 0.00 2.94 2.66 0.00 0.00 7.28 8.00 0.00 0.00 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 N 8.74 4.80 0.00 2.90 3.04 0.00 0.00 6.88 7.85 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 0.00 135 L 8.33 4.21 0.00 1.98 1.59 0.92 0.79 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 0.00 136 K 8.28 4.25 0.00 1.65 1.82 0.00 1.01 0.00 0.00 1.30 0.00 0.00 2.89 0.00 0.00 2.61 0.00 0.00 0.00 0.00 1.30 1.23 7.81 137 Q 8.76 4.17 0.00 2.20 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.96 7.03 0.00 0.00 0.00 0.00 0.00 2.45 2.37 0.00 138 E 8.88 4.14 0.00 1.97 1.99 0.00 0.00 0.00 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 0.00 139 N 7.83 4.73 0.00 2.89 2.82 0.00 0.00 7.02 7.51 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 0.00 140 A 9.14 3.94 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 0.00 141 Y 8.61 5.15 0.00 2.91 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 0.00 142 L 8.47 5.03 0.00 1.61 1.03 0.95 0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 143 L 8.44 4.98 0.00 0.98 0.13 0.78 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 144 I 9.04 5.85 1.96 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 1.37 0.89 0.00 0.00 145 R 8.42 4.62 0.00 1.74 2.08 0.00 2.99 0.00 0.00 3.01 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.64 0.00 146 R 8.79 4.12 0.00 1.96 1.94 0.00 3.37 0.00 0.00 3.29 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.68 0.00 * Residues marked with a * may have inaccurate shift predictions.