NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 K 4.2676 8.3144 120.0010 56.5449 33.9417 174.7385 5 V 3.8354 8.1797 120.6531 61.9343 32.4434 172.1459 6 E 4.6624 9.7286 127.3212 55.2466 32.8949 175.5150 7 H 4.9164 8.5230 114.0523 55.2856 30.0014 173.2180 8 R 4.7854 7.5288 114.9060 55.0440 32.4415 174.1031 9 L 4.7014 8.6437 120.3441 53.9735 42.7293 177.4455 10 S 4.4260 8.9532 118.0964 57.5962 63.9923 174.2736 11 E 4.0845 8.7802 119.4115 59.6721 29.5969 178.8517 12 Q 4.1746 8.2440 117.3650 59.3167 29.1643 179.5306 13 Q 4.4129 7.9861 115.3952 56.1937 28.4446 178.3259 *15 K 4.1044 8.3053 120.1522 56.4840 33.6980 177.6975 16 A 4.1475 8.2267 119.9053 54.3242 18.6112 178.0166 17 L 4.6308 7.8156 114.8379 54.7406 41.8653 177.3036 18 T 4.3063 7.7535 106.0592 61.1579 69.1956 173.3307 19 D 4.8628 7.7371 119.8364 55.0942 42.2800 175.1910 20 L 4.1391 8.5966 111.9546 53.8723 39.3330 172.7174 21 P 4.4817 0.0000 0.0000 62.1809 32.8024 175.3939 22 L 4.5763 8.2122 121.6325 54.7148 42.4236 176.0742 23 V 4.5706 8.5177 118.8143 59.5311 36.5923 174.4563 24 F 5.2469 8.7764 120.9185 55.8640 41.3347 174.5055 25 L 4.9186 9.2598 127.0515 53.8372 43.8840 175.1298 26 I 5.2739 9.1295 127.2459 59.8351 40.5148 174.7380 27 T 5.0842 9.0319 116.0353 60.3397 73.0360 172.1665 *28 H 5.1372 8.7936 117.9214 53.9657 31.8283 172.9348 29 D 4.6993 8.6853 125.0291 52.8946 41.9974 177.1482 30 Q 4.0472 8.8843 126.3705 58.1087 28.1945 175.0267 31 S 4.1722 9.0928 113.8969 61.0447 63.2594 175.2928 32 K 4.1474 7.4269 121.0367 52.4442 33.4955 178.9132 33 S 4.5643 7.7625 112.5286 58.6303 63.5908 173.8893 34 W 5.1253 6.8525 117.4264 53.7961 30.9429 173.1118 35 P 4.7050 0.0000 0.0000 62.9059 32.1824 175.5087 36 I 4.5048 8.5798 122.5274 60.8852 38.6431 175.0548 37 T 5.2941 8.4479 115.6588 60.3635 71.7130 172.8654 38 H 5.0416 9.2108 119.6943 54.1386 33.5417 172.0123 39 A 5.1038 8.7227 123.7021 50.8978 20.1997 176.5162 40 I 4.6853 8.7072 115.3798 59.2803 41.3088 175.9780 41 S 5.4131 8.2361 114.1926 57.0456 65.0114 173.8871 42 W 5.3277 7.7678 123.2776 55.7506 27.0082 175.0603 43 V 5.2645 7.8268 120.0209 60.2084 34.9352 175.5049 44 Y 4.8558 9.3369 123.4346 56.4536 42.6243 173.5916 45 A 4.6311 7.9684 129.5864 50.7426 17.9844 176.9340 46 K 4.2177 8.6353 123.8919 60.3038 32.7213 176.1772 47 D 4.5502 7.3187 115.5461 52.8367 41.5559 175.1687 48 E 4.0629 8.7521 117.4230 59.1234 29.7665 178.0462 49 T 4.7115 8.3679 107.7347 61.1975 70.9608 173.3214 50 T 5.1209 8.0951 119.0887 62.2916 72.3511 172.7580 51 I 5.0302 8.7712 127.0664 59.6045 40.2866 174.9586 52 R 5.5270 9.4008 125.1575 54.6955 33.9266 174.5846 53 F 5.6838 8.9944 115.5407 55.7637 42.0381 172.7424 54 A 5.4776 9.3191 121.1600 50.2406 21.4631 175.5604 55 I 4.9663 9.1216 114.6467 58.6718 41.9838 174.6234 56 E 4.6298 8.8490 122.1683 56.4437 29.8384 178.3797 57 A 4.0908 8.9265 127.3890 54.6746 18.5906 177.9898 58 D 4.6951 7.9215 113.1363 53.1091 40.4375 176.7415 59 S 4.2181 7.9504 116.2418 58.5172 62.8956 175.0616 60 L 4.1159 8.6117 126.3639 57.6736 41.3066 179.6747 61 L 4.0163 8.0554 119.1510 57.3587 41.4066 179.5115 62 V 3.7665 7.6803 119.7400 65.3496 31.4348 177.9586 63 K 3.9512 8.0267 118.6897 59.7531 32.0468 178.4321 64 T 3.8847 7.6584 115.9792 66.9990 68.1103 176.5975 65 L 4.1645 8.4926 120.5902 57.4049 41.3027 179.5463 66 A 4.0990 7.8517 120.4106 55.3535 18.4549 179.1451 67 D 4.7347 8.2322 116.5106 56.3599 41.6670 176.3219 68 H 4.7534 8.3343 118.9598 53.8992 31.2727 171.3047 69 P 4.9183 0.0000 0.0000 60.8932 29.3364 175.7765 70 V 4.9853 7.3153 118.7948 62.1135 35.5168 174.5252 71 F 5.3042 8.5669 120.2549 56.0908 42.0892 172.9568 72 T 5.2671 9.1581 115.3854 61.8347 72.2774 173.1056 73 L 5.4458 9.3189 125.4515 53.1402 45.2441 175.3413 74 I 5.1255 9.0303 124.9116 59.9440 39.2129 174.8493 75 F 5.3459 8.9846 120.9723 55.5410 41.8756 173.0622 76 F 5.0844 9.1339 118.3328 56.4920 40.3144 175.1426 77 A 4.7312 9.1226 124.3554 51.5512 23.4192 177.2730 78 D 4.7542 8.2554 119.9839 56.3542 40.5477 176.0637 79 Q 4.7262 8.4502 119.0104 56.2969 29.4554 173.9877 80 S 4.5410 8.5839 112.5761 56.9761 66.2451 171.2845 81 T 4.4647 7.5972 110.0947 59.8334 70.9155 172.7962 82 Y 5.0617 8.3419 122.8849 55.8416 42.2130 174.4990 83 S 5.5229 9.0752 115.8714 56.5499 66.3062 172.9530 84 L 5.4809 9.3340 121.7703 54.4575 44.0940 175.2606 85 T 5.0837 8.7956 116.4276 62.0484 72.4184 172.6774 86 C 5.2197 8.7034 123.1222 58.0728 31.6624 173.3037 87 T 4.6247 8.2084 112.2400 59.5480 72.2269 173.1909 88 D 4.4205 8.5894 117.6039 55.3153 38.1516 174.4993 89 V 4.2850 7.6677 118.3184 63.0520 32.3123 175.1422 90 A 4.9974 9.3286 128.6153 49.9037 22.6992 175.1996 91 A 4.1205 8.7596 122.9511 51.7085 19.2400 176.6395 92 W 5.2799 8.2486 116.8006 54.9953 31.8474 174.1705 93 E 4.4104 8.9002 118.5763 54.6785 32.4430 175.4461 94 T 4.7269 7.9257 115.6370 60.6755 69.3516 174.6556 95 T 4.1325 8.3508 115.1190 62.5722 69.6517 175.1410 96 A 4.0791 7.5261 125.4281 51.8004 18.9341 177.1635 97 R 3.9094 8.2784 120.6431 56.2512 30.6373 176.1699 98 L 4.2584 8.2878 125.8428 53.4417 42.2939 175.1559 99 P 4.4408 0.0000 0.0000 64.0457 32.0357 175.7147 100 L 4.4283 7.1284 118.9348 53.4660 44.9482 174.8881 101 K 4.2489 8.5844 123.3687 56.5730 32.3126 176.2322 102 V 5.0713 8.2264 117.3829 59.3025 35.3900 175.0119 103 A 4.6062 9.3937 125.0533 50.2243 21.7462 175.6442 104 L 4.7841 7.6175 120.4666 52.9397 44.3164 175.2172 105 Y 5.0754 8.6524 120.3378 56.1461 42.2107 174.1544 106 E 5.1016 9.5030 121.7241 54.8460 33.6795 174.4129 107 G 4.6313 9.5195 112.2133 44.8582 0.0000 170.8972 108 Q 5.2196 8.5296 119.8301 53.9033 30.8625 175.5223 109 I 4.1602 8.6552 126.0137 61.6350 37.1591 175.6050 110 K 4.4615 9.1911 128.0171 57.6812 34.0232 176.1398 111 E 5.0092 7.8633 116.9621 54.8440 34.5489 174.5779 112 V 4.9635 9.0322 122.3370 61.3011 34.8651 174.1696 113 R 4.9384 9.3241 128.1130 54.4233 33.6493 173.6085 114 D 4.5632 8.8798 125.8946 53.7580 41.3863 175.5473 115 I 4.2631 8.0416 119.4944 60.4990 38.4036 176.0081 116 L 3.8825 7.4867 125.1354 54.4152 42.4932 176.5676 117 F 4.4794 7.5688 119.2463 56.3128 38.6266 174.4156 118 Y 4.0312 8.6037 123.0977 59.4746 38.9274 176.5527 119 G 3.4554 8.5594 113.6231 45.2841 0.0000 172.3448 120 A 4.7210 7.3174 120.0194 50.1752 22.3398 175.4508 121 A 4.5092 7.8935 120.2943 50.7266 22.0808 176.6168 122 V 4.0303 8.4415 121.4929 61.6182 31.2939 176.4626 123 S 4.4583 8.6636 123.4452 60.6572 63.3534 174.5494 124 D 4.6627 7.6601 119.5775 52.2767 43.9231 175.4773 125 R 3.8891 8.3827 123.0358 54.5976 31.0500 174.6547 126 P 4.3037 0.0000 0.0000 62.6776 31.8807 176.2975 127 R 4.6407 8.2990 119.5611 54.2832 32.7528 175.4759 128 V 4.5055 8.3575 121.4821 61.0443 34.0295 173.9514 129 Y 4.9656 8.1666 123.0826 54.8184 41.0876 174.6743 130 K 4.2279 8.6544 120.3087 56.0603 32.9148 177.2621 131 T 4.4787 8.2686 112.5076 61.8013 69.7158 173.9953 132 Y 4.5855 7.4885 122.9975 57.4157 41.9920 173.5517 133 D 4.1136 8.3696 126.1364 54.9810 39.6679 174.9999 134 E 3.8872 8.4559 119.8454 59.2761 30.1928 177.4970 135 A 4.1044 8.0836 119.5581 55.2094 18.8320 178.4878 136 A 4.0897 8.0537 118.2819 55.3130 18.8570 179.9861 137 A 4.4237 8.2898 116.8266 52.9779 17.9244 179.2982 *139 Q 4.2801 8.1842 120.4874 57.4751 31.0099 177.6304 140 L 4.4328 8.2000 120.6706 57.7570 41.9729 178.5939 141 D 4.5661 8.3513 118.8399 57.6737 40.7384 178.7349 142 Q 3.9402 8.0677 119.3026 59.2259 29.1226 178.1062 143 Q 3.8962 8.0850 119.0830 59.0664 28.6692 178.9623 144 I 3.3552 7.5543 120.7911 64.1046 36.9151 178.1890 145 Q 3.8859 8.1115 120.6017 59.3690 28.6434 178.1725 146 D 4.2532 7.9979 118.8654 57.4046 40.9889 178.6205 147 I 3.8590 7.4741 119.9734 64.3718 36.8748 178.5278 148 L 4.2939 7.9718 119.3795 57.4259 41.5528 179.1018 149 K 3.7817 7.7609 117.0760 58.0385 32.8801 177.7311 150 G 3.9540 7.4205 111.8794 45.2796 0.0000 172.9028 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 4 K 8.31 4.27 0.00 1.89 1.90 0.00 1.66 0.00 0.00 1.76 0.00 0.00 2.91 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.32 1.46 7.81 5 V 8.18 3.84 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 0.83 0.00 0.00 0.94 0.00 0.00 6 E 9.73 4.66 0.00 1.96 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 0.00 2.23 2.38 0.00 7 H 8.52 4.92 0.00 3.11 3.26 0.00 5.70 0.00 0.00 0.00 0.00 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 R 7.53 4.79 0.00 1.90 1.87 0.00 3.02 0.00 0.00 3.22 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.65 0.00 9 L 8.64 4.70 0.00 1.44 1.56 0.79 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 10 S 8.95 4.43 0.00 3.83 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 E 8.78 4.08 0.00 1.97 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 0.00 2.30 2.27 0.00 12 Q 8.24 4.17 0.00 2.07 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.12 7.22 0.00 0.00 0.00 0.00 0.00 2.46 2.45 0.00 13 Q 7.99 4.41 0.00 2.22 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.96 6.39 0.00 0.00 0.00 0.00 0.00 2.24 2.12 0.00 *15 K 8.31 4.10 0.00 1.92 2.07 0.00 1.72 0.00 0.00 1.82 0.00 0.00 2.89 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.42 1.45 7.81 16 A 8.23 4.15 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 17 L 7.82 4.63 0.00 1.56 1.44 0.23 -0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 18 T 7.75 4.31 4.04 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 0.48 0.00 0.00 19 D 7.74 4.86 0.00 2.62 2.66 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 20 L 8.60 4.14 0.00 1.88 1.79 1.03 1.39 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 21 P 0.00 4.48 0.00 2.29 2.43 0.00 3.75 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 2.10 2.07 0.00 22 L 8.21 4.58 0.00 1.58 1.54 0.74 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 23 V 8.52 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 0.77 0.00 0.00 0.90 0.00 0.00 24 F 8.78 5.25 0.00 3.06 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 25 L 9.26 4.92 0.00 1.43 1.54 0.24 0.25 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 26 I 9.13 5.27 1.97 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 1.36 0.97 0.98 0.00 0.00 27 T 9.03 5.08 4.31 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 1.27 0.00 0.00 *28 H 8.79 5.14 0.00 3.07 2.97 0.00 7.23 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 D 8.69 4.70 0.00 2.62 2.43 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 0.00 30 Q 8.88 4.05 0.00 2.11 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.87 0.00 0.00 0.00 0.00 0.00 2.29 1.95 0.00 31 S 9.09 4.17 0.00 3.84 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 0.00 32 K 7.43 4.15 0.00 1.80 1.61 0.00 1.80 0.00 0.00 1.75 0.00 0.00 2.95 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.30 1.22 7.81 33 S 7.76 4.56 0.00 4.02 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 0.00 34 W 6.85 5.13 0.00 3.33 3.22 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 35 P 0.00 4.71 0.00 2.18 2.17 0.00 3.99 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.08 0.00 36 I 8.58 4.50 1.94 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 1.32 0.78 0.98 0.00 0.00 37 T 8.45 5.29 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 1.23 0.00 0.00 38 H 9.21 5.04 0.00 3.06 3.14 0.00 5.80 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 39 A 8.72 5.10 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 40 I 8.71 4.69 1.73 0.00 0.00 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.78 0.77 0.00 0.00 41 S 8.24 5.41 0.00 4.00 4.01 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 42 W 7.77 5.33 0.00 3.49 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 43 V 7.83 5.26 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 0.75 0.00 0.00 1.10 0.00 0.00 44 Y 9.34 4.86 0.00 3.13 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 45 A 7.97 4.63 1.04 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 0.00 0.00 46 K 8.64 4.22 0.00 1.84 1.87 0.00 1.89 0.00 0.00 1.84 0.00 0.00 3.18 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.40 1.43 7.81 47 D 7.32 4.55 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 48 E 8.75 4.06 0.00 2.08 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 2.38 2.33 0.00 49 T 8.37 4.71 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 1.21 0.00 0.00 50 T 8.10 5.12 4.26 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 1.18 0.00 0.00 51 I 8.77 5.03 2.23 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 1.25 1.26 0.00 0.00 52 R 9.40 5.53 0.00 1.95 2.14 0.00 3.20 0.00 0.00 3.26 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.57 0.00 53 F 8.99 5.68 0.00 3.29 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 54 A 9.32 5.48 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 55 I 9.12 4.97 1.98 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.13 1.13 0.00 0.00 56 E 8.85 4.63 0.00 2.00 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 2.61 2.40 0.00 57 A 8.93 4.09 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 58 D 7.92 4.70 0.00 2.81 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 59 S 7.95 4.22 0.00 3.98 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 60 L 8.61 4.12 0.00 1.76 1.73 0.94 0.67 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 61 L 8.06 4.02 0.00 1.66 1.64 0.69 0.53 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 62 V 7.68 3.77 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 1.35 0.00 0.00 1.14 0.00 0.00 63 K 8.03 3.95 0.00 1.93 1.81 0.00 1.87 0.00 0.00 1.84 0.00 0.00 3.17 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.52 1.69 7.81 64 T 7.66 3.88 4.39 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 1.30 0.00 0.00 65 L 8.49 4.16 0.00 1.59 1.67 0.22 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 66 A 7.85 4.10 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 D 8.23 4.73 0.00 2.88 2.77 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 68 H 8.33 4.75 0.00 3.02 3.21 0.00 5.94 0.00 0.00 0.00 0.00 7.02 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 4.92 0.00 2.20 2.27 0.00 3.85 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.83 0.00 70 V 7.32 4.99 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 0.85 0.00 0.00 0.79 0.00 0.00 71 F 8.57 5.30 0.00 3.13 3.14 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 72 T 9.16 5.27 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 1.32 0.00 0.00 73 L 9.32 5.45 0.00 1.76 1.70 1.05 0.48 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 74 I 9.03 5.13 2.18 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.79 0.96 0.00 0.00 75 F 8.98 5.35 0.00 3.10 3.10 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 0.00 76 F 9.13 5.08 0.00 3.01 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 77 A 9.12 4.73 1.39 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 0.00 0.00 78 D 8.26 4.75 0.00 2.97 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 79 Q 8.45 4.73 0.00 2.07 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.72 6.62 0.00 0.00 0.00 0.00 0.00 2.44 2.32 0.00 80 S 8.58 4.54 0.00 3.50 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 81 T 7.60 4.46 3.74 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 0.60 0.00 0.00 82 Y 8.34 5.06 0.00 1.43 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 83 S 9.08 5.52 0.00 3.91 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 84 L 9.33 5.48 0.00 1.91 1.99 1.03 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 85 T 8.80 5.08 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 1.19 0.00 0.00 86 C 8.70 5.22 0.00 1.33 2.37 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 87 T 8.21 4.62 4.21 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 1.17 0.00 0.00 88 D 8.59 4.42 0.00 2.85 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 89 V 7.67 4.28 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 1.08 0.00 0.00 1.10 0.00 0.00 90 A 9.33 5.00 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 91 A 8.76 4.12 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 W 8.25 5.28 0.00 3.33 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 93 E 8.90 4.41 0.00 1.91 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 2.04 2.16 0.00 94 T 7.93 4.73 4.15 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 0.00 0.00 1.10 0.00 0.00 95 T 8.35 4.13 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 1.22 0.00 0.00 96 A 7.53 4.08 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 97 R 8.28 3.91 0.00 1.73 1.81 0.00 3.25 0.00 0.00 3.19 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.67 0.00 98 L 8.29 4.26 0.00 1.60 1.70 0.81 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 99 P 0.00 4.44 0.00 2.11 2.09 0.00 3.63 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 1.81 1.79 0.00 100 L 7.13 4.43 0.00 1.57 1.47 1.18 0.82 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 0.00 101 K 8.58 4.25 0.00 1.77 1.77 0.00 1.66 0.00 0.00 1.81 0.00 0.00 2.82 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.51 1.46 7.81 102 V 8.23 5.07 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 0.73 0.00 0.00 0.76 0.00 0.00 103 A 9.39 4.61 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 0.00 104 L 7.62 4.78 0.00 0.40 0.13 -0.31 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 105 Y 8.65 5.08 0.00 1.43 2.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 E 9.50 5.10 0.00 1.85 1.73 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 2.19 2.36 0.00 107 G 9.52 4.63 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 0.00 108 Q 8.53 5.22 0.00 1.98 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.95 0.00 0.00 0.00 0.00 0.00 2.29 2.45 0.00 109 I 8.66 4.16 1.86 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.57 0.94 0.00 0.00 110 K 9.19 4.46 0.00 1.66 1.80 0.00 1.77 0.00 0.00 1.71 0.00 0.00 2.89 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.36 1.38 7.81 111 E 7.86 5.01 0.00 1.93 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 2.41 2.36 0.00 112 V 9.03 4.96 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 1.14 0.00 0.00 0.97 0.00 0.00 113 R 9.32 4.94 0.00 1.87 1.72 0.00 3.15 0.00 0.00 3.10 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.55 0.00 114 D 8.88 4.56 0.00 2.74 2.51 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 0.00 115 I 8.04 4.26 1.81 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 1.06 0.61 0.86 0.00 0.00 116 L 7.49 3.88 0.00 1.21 1.26 0.11 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.67 0.00 0.00 0.00 0.00 0.00 0.00 117 F 7.57 4.48 0.00 3.18 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 0.00 118 Y 8.60 4.03 0.00 2.94 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 0.00 119 G 8.56 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 0.00 0.00 0.00 120 A 7.32 4.72 1.08 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 0.00 0.00 121 A 7.89 4.51 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 V 8.44 4.03 2.17 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 0.97 0.00 0.00 1.00 0.00 0.00 123 S 8.66 4.46 0.00 4.02 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 0.00 124 D 7.66 4.66 0.00 2.60 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 0.00 125 R 8.38 3.89 0.00 1.69 1.56 0.00 3.39 0.00 0.00 3.37 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.64 0.00 126 P 0.00 4.30 0.00 1.89 1.86 0.00 2.61 0.00 0.00 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.65 0.00 127 R 8.30 4.64 0.00 1.77 1.82 0.00 3.14 0.00 0.00 3.14 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.54 0.00 128 V 8.36 4.51 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 0.81 0.00 0.00 0.90 0.00 0.00 129 Y 8.17 4.97 0.00 3.07 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 0.00 130 K 8.65 4.23 0.00 1.83 1.82 0.00 1.77 0.00 0.00 1.75 0.00 0.00 2.99 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.47 1.41 7.81 131 T 8.27 4.48 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 0.80 0.00 0.00 132 Y 7.49 4.59 0.00 2.86 2.87 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 0.00 133 D 8.37 4.11 0.00 2.19 2.57 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 0.00 0.00 0.00 0.00 134 E 8.46 3.89 0.00 2.01 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 2.33 2.37 0.00 135 A 8.08 4.10 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 0.00 136 A 8.05 4.09 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 0.00 137 A 8.29 4.42 1.43 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 0.00 0.00 0.00 *139 Q 8.18 4.28 0.00 2.31 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.96 6.85 0.00 0.00 0.00 0.00 0.00 2.35 2.37 0.00 140 L 8.20 4.43 0.00 1.80 1.96 0.88 1.69 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 0.00 141 D 8.35 4.57 0.00 2.86 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 0.00 142 Q 8.07 3.94 0.00 2.17 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.91 0.00 0.00 0.00 0.00 0.00 2.42 2.49 0.00 143 Q 8.09 3.90 0.00 2.17 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.58 0.00 0.00 0.00 0.00 0.00 2.32 2.52 0.00 144 I 7.55 3.36 1.08 0.00 0.00 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 -0.36 0.21 0.00 0.00 145 Q 8.11 3.89 0.00 2.24 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.80 0.00 0.00 0.00 0.00 0.00 2.37 2.37 0.00 146 D 8.00 4.25 0.00 2.78 2.65 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 0.00 147 I 7.47 3.86 1.87 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 1.43 0.63 0.77 0.00 0.00 148 L 7.97 4.29 0.00 1.65 1.85 1.14 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 149 K 7.76 3.78 0.00 1.32 0.74 0.00 1.62 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.42 1.28 7.81 150 G 7.42 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 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.