NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 43 Y 4.4224 8.1449 121.6911 58.1929 39.3029 173.5902 44 C 3.4751 8.0584 128.7469 54.9506 37.1541 169.8643 45 S 4.6436 8.0586 118.0319 57.7798 64.2962 173.7491 46 R 4.3063 8.4642 126.8958 56.9758 27.8885 174.0562 47 I 3.8623 7.5349 124.9465 61.1942 36.6935 176.7141 *55 R 4.0921 8.1207 124.7331 56.3372 30.0074 175.4623 56 E 4.4906 8.1855 122.0483 55.7141 31.9805 176.8902 57 G 4.0319 8.1265 106.3059 45.7188 0.0000 171.4436 58 Y 4.7010 8.6483 117.3921 56.4399 39.9813 175.0812 59 T 4.7429 8.2139 114.7946 59.7024 71.5586 173.5710 60 E 4.1888 8.4517 117.3585 57.2045 30.6971 175.7135 61 F 5.1890 7.8864 119.9557 56.1783 40.9703 175.4020 62 S 4.8094 9.1763 119.3484 56.5508 66.3960 172.6032 63 L 5.0223 8.6961 127.1609 53.6443 43.0661 175.6451 64 R 4.7932 9.0670 124.5965 54.3634 35.2298 174.2090 65 V 4.8227 8.0327 119.8213 60.8460 34.0670 174.8564 66 E 4.1828 8.9866 128.5032 58.2136 29.7441 177.7197 67 G 3.8800 8.7608 111.2750 44.6337 0.0000 172.5976 68 D 4.3546 7.9607 118.7028 54.5290 38.7770 172.3837 69 P 4.3078 0.0000 0.0000 62.9238 32.3727 177.1337 70 D 4.5204 8.2955 120.6562 56.7180 41.2509 175.8346 71 F 5.0802 7.0039 111.7812 56.1195 40.5253 172.9114 72 Y 4.9234 8.7985 118.4405 55.6753 40.1653 175.0583 73 K 4.8327 9.4212 121.0466 53.9572 34.6888 174.1945 74 P 4.8043 0.0000 0.0000 63.8088 31.6395 176.7523 75 G 3.9341 8.8091 111.7206 45.5101 0.0000 173.7995 76 T 3.9767 7.7782 117.4619 63.4410 69.6893 173.8914 77 S 4.7411 8.2088 122.0204 57.9570 64.0109 173.0915 78 Y 4.8409 9.3031 122.7880 56.1920 41.2248 174.9629 79 R 4.9574 8.8596 123.6282 55.3423 31.6276 174.8939 80 V 4.7479 8.9849 128.3911 62.0460 33.2690 174.7794 81 T 5.1024 9.0430 117.7137 59.7057 72.3082 172.3990 82 L 5.0569 8.6739 125.6058 53.5303 44.6994 175.3108 83 S 5.4409 9.1254 121.1368 56.8311 67.6537 172.6059 84 A 5.0273 8.9185 124.3182 49.9445 20.8464 176.6561 85 A 4.2160 8.5719 125.4302 50.6571 19.6641 175.6070 86 P 4.5200 0.0000 0.0000 62.7101 31.7772 174.1182 87 P 4.7771 0.0000 0.0000 62.9683 31.7199 176.0206 88 S 4.4935 7.8246 115.3698 59.5842 63.3668 172.4195 89 Y 5.1819 7.4274 117.9492 56.2604 41.1450 173.8156 90 F 5.2388 8.9785 114.6173 55.4715 41.1750 175.7461 91 R 4.7631 8.8906 119.2552 56.4295 31.7464 176.0794 92 G 4.6600 8.0832 104.8177 45.5415 0.0000 171.9369 93 F 5.3051 8.7511 114.7046 55.9661 41.8500 173.1194 94 T 4.7634 8.8739 116.0220 61.7064 72.6899 172.8499 95 L 5.3987 9.0594 127.5289 53.3520 45.4458 175.1964 96 I 5.3654 9.1419 118.3971 59.2140 42.0570 173.8871 97 A 5.0321 8.8689 123.1490 50.2803 21.8194 174.9062 98 L 5.1587 8.7231 122.6473 52.6349 45.1291 176.6891 99 R 4.3850 8.9690 122.0890 56.1684 31.1660 176.1891 100 E 3.8330 8.7325 124.1242 57.9543 30.0784 176.2973 101 N 4.3235 8.8517 120.1165 54.1017 36.1129 174.0206 102 R 4.6927 7.3315 115.8085 54.3375 32.5794 176.0893 103 E 3.9573 8.6477 121.6476 57.5839 29.9597 177.6273 104 G 4.0331 8.5499 105.1156 45.0704 0.0000 173.6539 105 D 4.6577 8.0171 118.3350 54.3425 40.3660 176.3497 106 K 4.6407 8.0988 120.1024 54.1407 34.8979 176.4549 107 E 4.0674 8.7570 123.7949 59.5158 29.4467 178.7207 108 E 4.2734 8.0372 113.3473 57.9650 30.1540 177.4094 109 D 4.4570 8.2517 120.5190 57.0642 41.1637 175.8568 110 H 5.0095 8.1767 116.7221 54.7600 29.5026 174.3920 111 A 4.6756 8.8227 127.8176 51.2561 21.1099 177.7070 112 G 3.5006 8.7069 110.6656 44.7410 0.0000 172.1786 113 T 4.6051 7.3108 114.0782 61.7183 71.9688 174.1959 114 F 5.2780 9.1967 125.4257 57.5370 40.5287 174.8312 115 Q 4.8640 9.6740 123.0594 54.2749 32.0932 174.7041 116 I 4.1738 8.8572 127.6851 61.7492 37.9856 175.5184 117 I 4.1035 8.4528 125.5024 62.8213 38.1670 175.9283 118 D 4.8162 7.5518 124.0178 52.1255 40.8050 176.5161 119 E 4.0278 8.6353 124.5263 59.0927 29.6970 178.4462 120 E 4.2915 8.1050 115.6283 57.3422 30.2694 176.5045 121 E 4.7817 8.2240 118.4978 56.7148 32.4024 176.0224 122 T 5.4072 7.7830 107.3092 60.2117 72.3150 173.0342 123 Q 4.4934 8.7143 120.0463 55.0592 32.6470 173.3047 124 F 4.8480 8.5282 118.3262 57.1191 40.0478 175.8284 125 M 4.0361 8.9405 122.7732 55.7968 32.2168 177.7529 126 S 4.1208 9.0605 120.2449 61.1775 62.9528 175.0910 127 N 4.9281 8.0110 115.0141 52.3280 37.4561 174.9303 128 C 4.6653 7.6794 120.6255 55.2468 44.5588 172.3944 129 P 4.2619 0.0000 0.0000 64.1072 31.3143 178.2333 130 V 4.1177 7.6365 110.8112 61.5592 32.3353 175.1342 131 A 4.9784 8.1228 123.4293 50.1985 21.3924 176.1325 132 V 4.1204 8.2563 122.0035 62.2070 33.4670 174.8564 133 T 4.3701 8.7162 121.0811 59.2919 71.5691 172.2282 134 E 4.5960 7.7417 121.1868 56.5217 29.8354 177.4086 135 S 4.6670 8.6680 118.4906 61.3583 63.5375 174.7884 136 T 4.7009 7.5737 106.9592 59.5214 71.4957 171.1294 137 P 5.2036 0.0000 0.0000 62.6600 31.9003 176.5551 138 R 4.2835 7.6774 116.8999 56.6997 32.0361 177.0122 139 R 4.4056 8.3123 120.6807 56.6380 30.6002 176.4196 140 R 4.6671 8.9005 122.3507 54.6277 34.4143 175.7472 141 T 4.5482 8.2139 109.2569 61.7695 71.1987 173.5268 142 R 5.3565 7.5441 121.3900 55.3071 33.1545 173.6481 143 I 4.8959 8.9736 118.9866 59.2187 41.4651 173.9716 144 Q 5.1001 8.3342 119.5356 54.9398 31.6204 174.1705 145 V 4.5010 8.5618 119.2436 60.4900 35.5071 173.5925 146 F 5.4372 8.9526 120.6903 56.8645 40.9136 174.6107 147 W 5.2504 9.8023 132.2945 55.8043 33.7271 173.9210 148 I 4.5371 8.3084 128.7044 59.4560 38.2292 175.3770 149 A 2.7348 8.3124 130.1438 50.6343 19.6133 175.2670 150 P 4.7246 0.0000 0.0000 61.1546 33.7113 174.0016 151 P 4.4889 0.0000 0.0000 62.1313 31.8347 176.1178 152 A 4.3561 8.3874 123.3753 54.2797 18.6062 178.3735 153 G 4.0701 9.4645 110.7408 45.5739 0.0000 175.0927 154 T 3.9113 7.5713 115.5229 64.6606 68.7640 175.4968 155 G 3.8889 8.5137 108.9610 44.3041 0.0000 171.7941 156 C 4.7870 8.6384 115.5422 57.2459 39.2937 173.1879 157 V 4.9155 9.3601 123.1577 61.1427 34.4136 174.2206 158 I 4.8090 8.8945 128.2172 59.5550 39.4891 174.6048 159 L 4.6877 8.7072 128.7657 53.9499 43.0230 176.4059 160 K 5.2466 9.1716 122.1330 54.8102 36.6480 175.2344 161 A 5.3947 9.0102 124.7318 50.2866 22.4684 175.2148 162 S 4.5346 8.5810 113.9079 56.2021 65.9136 172.9158 163 I 5.0257 7.9291 117.8390 58.9329 41.5931 174.0913 164 V 4.2119 8.4794 121.8265 60.6679 33.5735 173.8082 165 Q 4.5403 8.9835 122.9730 55.5867 31.7762 175.1318 166 K 4.6192 8.0265 117.0972 55.7747 34.5802 175.7595 167 R 4.6116 7.3785 114.7786 54.8754 32.3145 173.3212 168 I 4.3697 7.9250 119.2334 60.1688 38.7531 175.5256 169 I 4.2200 8.0406 127.9532 59.7794 38.4892 175.2572 170 Y 4.3762 8.5026 124.8399 57.0066 39.0007 175.7359 171 F 4.4642 8.6181 119.5775 58.3561 39.5144 175.0964 172 Q 4.7707 8.6122 119.9740 54.0493 32.5287 175.4385 173 D 4.5603 8.7351 119.9050 57.0116 41.1746 176.7677 174 E 4.6907 8.2401 116.5739 54.4258 33.8274 175.3759 175 G 4.3606 8.4102 107.8342 44.0855 0.0000 173.4561 176 S 3.4371 7.7102 114.2649 59.6843 64.0591 175.6921 177 L 4.7200 7.6853 119.9009 54.6100 42.8294 175.6487 178 T 5.1480 7.7324 114.8532 61.7629 72.2678 173.4865 179 K 4.5221 9.2960 127.0634 54.5252 35.6908 174.4877 180 K 4.9186 8.7360 128.6566 55.1233 33.7947 175.3105 181 L 4.8779 9.1145 127.1188 53.3336 45.2829 175.4636 182 C 5.2477 8.7424 120.3562 54.8835 43.7884 173.1064 183 E 4.0969 8.2707 119.5309 55.4842 29.8135 177.3994 184 Q 4.0584 8.0965 117.1981 56.2849 27.9435 173.2899 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 43 Y 8.14 4.42 0.00 2.94 2.99 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 0.00 0.00 0.00 44 C 8.06 3.48 0.00 2.96 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 45 S 8.06 4.64 0.00 3.94 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 46 R 8.46 4.31 0.00 2.04 1.96 0.00 3.26 0.00 0.00 3.22 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.20 0.00 47 I 7.53 3.86 1.90 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 1.60 1.25 0.94 0.00 0.00 *55 R 8.12 4.09 0.00 1.87 1.99 0.00 3.23 0.00 0.00 3.27 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.68 0.00 56 E 8.19 4.49 0.00 2.00 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 2.46 2.33 0.00 57 G 8.13 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 58 Y 8.65 4.70 0.00 2.87 2.88 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 59 T 8.21 4.74 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 1.28 0.00 0.00 60 E 8.45 4.19 0.00 1.77 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 1.47 1.70 0.00 61 F 7.89 5.19 0.00 2.89 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 62 S 9.18 4.81 0.00 3.66 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 63 L 8.70 5.02 0.00 1.51 1.48 0.91 0.85 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 64 R 9.07 4.79 0.00 1.72 1.75 0.00 3.11 0.00 0.00 3.09 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.51 0.00 65 V 8.03 4.82 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 1.21 0.00 0.00 0.89 0.00 0.00 66 E 8.99 4.18 0.00 2.08 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 2.38 2.31 0.00 67 G 8.76 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 0.00 0.00 0.00 68 D 7.96 4.35 0.00 2.79 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 69 P 0.00 4.31 0.00 2.17 2.09 0.00 3.77 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.89 0.00 70 D 8.30 4.52 0.00 2.66 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 71 F 7.00 5.08 0.00 3.03 2.95 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 Y 8.80 4.92 0.00 3.09 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 73 K 9.42 4.83 0.00 1.91 1.90 0.00 1.82 0.00 0.00 1.77 0.00 0.00 3.04 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.66 1.72 7.81 74 P 0.00 4.80 0.00 2.10 2.20 0.00 3.87 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.37 0.00 75 G 8.81 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 0.00 0.00 0.00 76 T 7.78 3.98 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 0.47 0.00 0.00 77 S 8.21 4.74 0.00 3.40 3.38 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 9.30 4.84 0.00 3.34 3.06 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 79 R 8.86 4.96 0.00 2.08 1.92 0.00 3.50 0.00 0.00 3.37 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.31 0.00 80 V 8.98 4.75 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 1.00 0.00 0.00 1.14 0.00 0.00 81 T 9.04 5.10 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 1.20 0.00 0.00 82 L 8.67 5.06 0.00 1.43 1.14 0.70 0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 0.00 0.00 0.00 0.00 0.00 0.00 83 S 9.13 5.44 0.00 3.78 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 84 A 8.92 5.03 1.37 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 0.00 0.00 0.00 85 A 8.57 4.22 1.16 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 0.00 0.00 86 P 0.00 4.52 0.00 2.17 2.06 0.00 3.72 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.95 0.00 87 P 0.00 4.78 0.00 2.23 2.17 0.00 3.72 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.97 0.00 88 S 7.82 4.49 0.00 3.65 3.56 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 89 Y 7.43 5.18 0.00 3.01 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 90 F 8.98 5.24 0.00 3.19 2.91 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 91 R 8.89 4.76 0.00 1.83 2.05 0.00 3.21 0.00 0.00 3.36 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.68 0.00 92 G 8.08 4.66 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 0.00 0.00 0.00 0.00 0.00 0.00 93 F 8.75 5.31 0.00 2.93 2.80 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.87 4.76 4.09 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 1.31 0.00 0.00 95 L 9.06 5.40 0.00 1.83 1.49 1.03 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 96 I 9.14 5.37 1.97 0.00 0.00 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.51 1.00 0.00 0.00 97 A 8.87 5.03 1.12 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 0.00 0.00 98 L 8.72 5.16 0.00 1.48 1.45 0.78 0.66 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 99 R 8.97 4.39 0.00 1.73 1.89 0.00 3.17 0.00 0.00 3.13 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.76 0.00 100 E 8.73 3.83 0.00 2.07 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 2.33 2.30 0.00 101 N 8.85 4.32 0.00 2.93 2.91 0.00 0.00 6.83 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 0.00 102 R 7.33 4.69 0.00 1.85 1.91 0.00 3.49 0.00 0.00 3.15 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.67 0.00 103 E 8.65 3.96 0.00 1.92 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 2.27 2.29 0.00 104 G 8.55 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 0.00 105 D 8.02 4.66 0.00 2.88 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 0.00 106 K 8.10 4.64 0.00 2.17 1.88 0.00 1.69 0.00 0.00 1.70 0.00 0.00 2.83 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.35 1.36 7.81 107 E 8.76 4.07 0.00 1.62 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 2.38 2.33 0.00 108 E 8.04 4.27 0.00 2.13 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 0.00 2.29 2.28 0.00 109 D 8.25 4.46 0.00 2.89 2.71 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 0.00 110 H 8.18 5.01 0.00 3.40 3.39 0.00 5.81 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 0.00 111 A 8.82 4.68 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 0.00 112 G 8.71 3.50 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 0.00 113 T 7.31 4.61 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 1.24 0.00 0.00 114 F 9.20 5.28 0.00 3.51 3.21 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 0.00 115 Q 9.67 4.86 0.00 2.24 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 7.00 0.00 0.00 0.00 0.00 0.00 2.49 2.49 0.00 116 I 8.86 4.17 1.95 0.00 0.00 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.87 0.98 0.00 0.00 117 I 8.45 4.10 1.73 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.26 0.82 0.00 0.00 118 D 7.55 4.82 0.00 2.65 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 0.00 119 E 8.64 4.03 0.00 1.95 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 0.00 2.35 2.43 0.00 120 E 8.11 4.29 0.00 1.95 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 2.27 0.00 121 E 8.22 4.78 0.00 1.90 1.98 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 2.22 2.35 0.00 122 T 7.78 5.41 4.27 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 1.36 0.00 0.00 123 Q 8.71 4.49 0.00 2.08 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 7.04 0.00 0.00 0.00 0.00 0.00 2.29 2.27 0.00 124 F 8.53 4.85 0.00 3.02 3.03 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 0.00 125 M 8.94 4.04 0.00 1.98 2.20 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.44 0.00 126 S 9.06 4.12 0.00 3.85 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 0.00 127 N 8.01 4.93 0.00 2.89 2.98 0.00 0.00 5.65 7.68 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 0.00 128 C 7.68 4.67 0.00 2.70 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 0.00 129 P 0.00 4.26 0.00 2.17 2.16 0.00 3.60 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.08 0.00 130 V 7.64 4.12 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 0.79 0.00 0.00 0.60 0.00 0.00 131 A 8.12 4.98 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 0.00 132 V 8.26 4.12 1.80 0.00 0.00 0.00 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 0.17 0.00 0.00 133 T 8.72 4.37 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 1.07 0.00 0.00 134 E 7.74 4.60 0.00 2.12 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 2.29 2.53 0.00 135 S 8.67 4.67 0.00 3.93 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 0.00 136 T 7.57 4.70 4.23 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 1.20 0.00 0.00 137 P 0.00 5.20 0.00 2.20 2.16 0.00 3.35 0.00 0.00 4.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.93 0.00 138 R 7.68 4.28 0.00 1.75 1.82 0.00 3.09 0.00 0.00 3.29 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.64 0.00 139 R 8.31 4.41 0.00 1.43 1.50 0.00 2.59 0.00 0.00 2.25 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 1.40 0.00 140 R 8.90 4.67 0.00 0.88 1.31 0.00 3.08 0.00 0.00 3.18 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.55 0.00 141 T 8.21 4.55 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 1.25 0.00 0.00 142 R 7.54 5.36 0.00 1.82 1.77 0.00 3.17 0.00 0.00 3.26 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.63 0.00 143 I 8.97 4.90 1.72 0.00 0.00 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.07 0.08 0.94 0.00 0.00 144 Q 8.33 5.10 0.00 1.88 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.80 0.00 0.00 0.00 0.00 0.00 2.14 2.22 0.00 145 V 8.56 4.50 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 1.00 0.00 0.00 1.09 0.00 0.00 146 F 8.95 5.44 0.00 3.30 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 0.00 147 W 9.80 5.25 0.00 3.36 3.20 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 0.00 148 I 8.31 4.54 1.60 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 1.01 0.94 0.70 0.00 0.00 149 A 8.31 2.73 1.16 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 0.00 0.00 150 P 0.00 4.72 0.00 2.10 2.17 0.00 2.68 0.00 0.00 3.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.88 0.00 151 P 0.00 4.49 0.00 2.22 2.03 0.00 3.60 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.07 0.00 152 A 8.39 4.36 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 0.00 153 G 9.46 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 0.00 154 T 7.57 3.91 4.45 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 1.29 0.00 0.00 155 G 8.51 3.89 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 0.00 156 C 8.64 4.79 0.00 3.03 3.08 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 0.00 157 V 9.36 4.92 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 0.85 0.00 0.00 1.09 0.00 0.00 158 I 8.89 4.81 1.81 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 1.21 0.92 0.88 0.00 0.00 159 L 8.71 4.69 0.00 1.40 1.45 0.52 -0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 160 K 9.17 5.25 0.00 1.61 1.85 0.00 1.55 0.00 0.00 1.52 0.00 0.00 2.49 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.40 1.37 7.81 161 A 9.01 5.39 1.09 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 0.00 0.00 162 S 8.58 4.53 0.00 2.72 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 0.00 163 I 7.93 5.03 1.32 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.19 -0.09 0.21 0.00 0.00 164 V 8.48 4.21 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 0.84 0.00 0.00 0.86 0.00 0.00 165 Q 8.98 4.54 0.00 2.02 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.88 0.00 0.00 0.00 0.00 0.00 1.88 1.43 0.00 166 K 8.03 4.62 0.00 1.72 1.77 0.00 1.84 0.00 0.00 1.80 0.00 0.00 3.13 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.38 1.40 7.81 167 R 7.38 4.61 0.00 1.92 1.97 0.00 2.96 0.00 0.00 3.35 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.60 0.00 168 I 7.92 4.37 1.14 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.59 -0.06 0.00 0.00 169 I 8.04 4.22 1.57 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 1.02 1.30 0.85 0.00 0.00 170 Y 8.50 4.38 0.00 2.86 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 0.00 171 F 8.62 4.46 0.00 3.00 2.91 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 0.00 172 Q 8.61 4.77 0.00 2.03 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 7.11 0.00 0.00 0.00 0.00 0.00 2.51 2.46 0.00 173 D 8.74 4.56 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 0.00 174 E 8.24 4.69 0.00 2.01 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 2.33 2.33 0.00 175 G 8.41 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 0.00 0.00 0.00 0.00 176 S 7.71 3.44 0.00 3.38 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 0.00 177 L 7.69 4.72 0.00 1.56 1.75 0.73 0.57 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 0.00 178 T 7.73 5.15 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 1.29 0.00 0.00 179 K 9.30 4.52 0.00 1.71 1.50 0.00 1.49 0.00 0.00 1.56 0.00 0.00 2.89 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.26 1.33 7.81 180 K 8.74 4.92 0.00 1.80 1.69 0.00 1.79 0.00 0.00 1.73 0.00 0.00 2.86 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.38 1.47 7.81 181 L 9.11 4.88 0.00 1.62 1.76 0.71 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 182 C 8.74 5.25 0.00 2.87 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 0.00 183 E 8.27 4.10 0.00 1.77 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 1.69 2.03 0.00 184 Q 8.10 4.06 0.00 1.97 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.77 6.65 0.00 0.00 0.00 0.00 0.00 1.58 1.54 0.00 * Residues marked with a * may have inaccurate shift predictions.