NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4908 8.3044 120.3010 55.1442 34.7644 175.7638 2 D 4.5742 7.3566 120.7368 52.5586 39.2274 174.7812 3 F 5.0518 8.7938 120.5241 57.3133 41.1078 175.5467 4 R 4.9292 9.2239 120.0394 54.5658 34.6720 174.2022 5 I 5.0268 8.4328 114.8175 59.3630 41.0889 174.4068 6 G 4.4485 8.9039 109.5843 44.7724 0.0000 171.3681 7 Q 5.1959 8.7025 118.1773 54.1727 31.9048 174.6138 8 G 4.4094 9.2714 107.9905 44.8239 0.0000 170.7232 9 Y 5.4976 8.5358 121.8634 55.9200 41.6450 173.6431 10 D 4.6133 8.4047 124.1301 53.0261 45.3582 174.0901 11 V 4.6989 7.7102 121.6163 60.6839 34.6036 173.6336 12 H 5.0104 8.8379 118.4768 54.0305 33.5756 172.8551 13 Q 4.6831 8.6609 119.6150 56.0538 30.1311 175.0135 14 L 4.9760 8.3889 123.3252 54.0232 42.6899 176.6320 15 V 4.7337 9.0148 116.9735 58.6540 36.2991 173.4060 16 P 4.5947 0.0000 0.0000 61.9552 32.2934 176.4238 17 G 4.1729 7.9226 107.9770 44.7229 0.0000 173.5434 18 R 4.1098 7.5432 117.9424 55.1929 31.3019 175.0228 19 P 4.4270 0.0000 0.0000 62.8284 32.5409 175.6396 20 L 4.4169 8.5411 124.7759 54.3233 42.8869 175.0464 21 I 5.0201 8.2679 127.5243 59.5795 40.4206 175.0403 22 I 4.7814 8.3089 127.6713 60.4795 40.1649 175.8992 23 G 3.9878 9.9175 113.0380 46.6166 0.0000 175.1120 24 G 3.8755 8.9823 106.7842 45.0893 0.0000 174.2915 25 V 4.1810 7.5584 120.6648 61.1944 32.7250 174.5554 26 T 4.7235 8.4287 124.3849 63.2711 69.1572 173.9467 27 I 4.3361 8.4533 128.2067 58.4502 39.2729 173.9475 28 P 4.3178 0.0000 0.0000 63.6011 30.6224 175.2076 29 Y 4.7498 8.2149 122.4314 56.7981 41.3001 174.3645 30 E 3.8705 7.9415 122.4836 58.0755 30.0772 176.1793 31 R 4.8521 6.7905 117.6920 54.7053 34.7390 173.8887 32 G 4.4160 8.8611 106.3909 44.9754 0.0000 171.7316 33 L 4.9487 8.3695 119.7413 53.9787 42.7331 176.5358 34 L 4.4165 8.5405 126.1765 54.1658 43.0123 175.9355 35 G 4.0537 8.0844 113.5054 45.4689 0.0000 172.6070 36 H 4.3468 9.0591 118.7956 59.0201 30.1829 175.5148 37 S 4.5255 7.6647 112.7882 57.5205 64.9667 173.2386 38 D 4.3444 8.6539 118.8212 54.3020 39.2156 175.6839 39 A 3.4095 7.8016 121.8339 53.6307 16.5140 178.7717 40 D 4.7095 7.8607 122.2815 54.4621 40.3028 175.7564 41 V 3.8681 7.9818 128.5520 63.8055 31.4147 178.0014 42 L 3.8922 7.8076 120.3384 57.9906 42.0630 178.7647 43 L 4.0226 8.0397 118.7611 58.0379 41.4245 179.2786 44 H 4.3080 8.4317 116.1223 58.8267 28.6705 177.6874 45 A 4.0238 8.0410 122.6068 55.2549 18.2028 179.7913 46 I 3.6767 7.8221 118.3396 64.7324 37.0965 178.7277 47 T 3.6925 8.0920 116.6727 66.8382 68.2234 176.4284 48 D 4.5107 8.4818 120.6472 57.2954 40.7757 178.6950 49 A 4.0680 8.2221 121.4200 54.9971 18.3239 179.7973 50 L 3.8458 8.0211 117.5651 57.9990 41.6805 179.6292 51 F 4.5570 8.2312 118.0236 60.5351 38.8911 177.9807 52 G 3.6171 8.5344 105.3713 47.8687 0.0000 175.6824 53 A 4.2324 8.2618 123.4534 53.7801 18.4733 178.6714 54 A 3.2595 7.7051 116.2133 50.8807 19.7067 176.7401 55 A 3.6868 7.4916 119.1442 53.6420 16.5231 177.8450 56 L 4.6514 8.6635 117.3140 55.0668 43.5554 177.4133 57 G 3.9772 9.2399 107.3616 44.2219 0.0000 175.9038 58 D 4.8293 8.0126 125.7534 50.8522 43.2594 175.2161 59 I 3.9477 9.2903 119.8171 64.0906 37.6376 178.0408 60 G 3.5863 8.0958 105.5445 47.3875 0.0000 175.2807 61 R 3.9585 7.9125 120.3877 59.5587 30.1947 177.8547 62 H 4.0242 7.4631 114.3092 59.1816 29.2058 174.7510 63 F 5.2563 8.1490 119.2695 55.6268 41.9648 174.3185 *74 D 4.5092 8.3188 120.4184 54.2763 41.5927 176.3756 75 S 4.2285 8.7422 116.3447 61.1261 62.7526 177.3344 76 R 3.8743 7.9803 120.9165 58.9962 29.8834 178.4244 77 A 3.9533 8.8397 120.9930 55.2103 18.2677 179.7407 78 L 3.4975 7.7062 117.2134 57.5066 41.4871 179.4682 79 L 3.9163 8.1363 120.6479 58.1757 42.0286 179.2779 80 R 3.8951 8.1439 118.1460 59.1797 29.9884 178.6845 81 E 4.0172 8.4115 119.2707 59.2267 29.6241 178.2387 82 C 3.9907 8.5868 118.9523 62.5878 31.5791 175.3197 83 A 3.9387 8.1464 122.4152 55.3192 17.8034 179.4720 84 S 4.0816 8.2548 111.4383 61.7945 62.6056 176.7550 85 R 4.0284 8.3186 120.7111 59.0388 29.8423 179.2315 86 V 3.7444 8.1566 118.2069 66.0067 31.5374 177.9997 87 A 4.3852 8.2085 121.9362 54.7137 17.9881 179.3218 88 Q 4.0492 8.2341 117.2876 59.0807 29.1940 177.6960 89 A 4.3463 7.8386 118.9092 52.5499 18.7341 177.9677 90 G 3.6963 8.3759 106.2880 44.7787 0.0000 173.2529 91 F 5.1247 8.0798 117.8368 55.6262 41.5459 174.5625 92 A 4.8241 8.9794 124.3354 50.3156 21.4189 176.0436 93 I 4.1787 8.3725 122.8805 61.4560 37.4998 175.8869 94 R 4.5629 9.1087 126.8046 58.0059 31.4529 176.2648 95 N 5.0428 7.6738 113.3624 52.0413 40.7653 173.4908 96 V 4.9623 8.6238 119.1593 61.2603 35.0609 173.7534 97 D 5.5376 8.9913 126.2250 52.9341 45.0173 174.1121 98 S 5.1082 8.2391 115.2335 58.0554 67.0188 173.3601 99 T 4.9257 8.9342 116.6194 62.0556 72.8830 172.9970 100 I 4.8131 8.9135 126.7039 59.5936 40.2661 174.6219 101 I 4.9480 8.7812 127.5831 59.6299 39.5444 174.5776 102 A 4.8240 8.7096 128.6986 50.4405 22.1259 176.9203 103 Q 3.9752 8.9929 122.8356 58.6832 29.6376 175.6412 104 A 4.4022 7.2143 117.3009 50.3737 21.7480 174.0682 105 P 4.5061 0.0000 0.0000 61.4197 33.1004 175.8454 106 K 4.1153 8.3919 117.8136 56.8166 32.4067 177.6378 107 L 4.5606 8.3973 121.8704 55.1924 42.7767 178.5000 108 A 3.9769 8.0694 120.9878 55.1027 17.9639 177.7046 109 P 4.2076 0.0000 0.0000 64.8367 31.7832 177.3606 110 H 4.7848 8.1990 114.1809 55.8970 29.4853 176.7083 111 I 3.7200 7.4483 122.9061 64.5711 36.9517 177.9328 112 D 4.3281 8.0799 118.9659 57.1998 40.7049 178.5324 113 A 4.0322 7.9248 120.9749 55.2292 18.4175 179.4126 114 M 4.2622 7.8967 118.4161 58.0882 32.0203 179.0375 115 R 3.8896 8.1867 118.0384 59.3018 30.2818 178.9104 116 A 3.9849 8.0251 120.3329 55.2479 18.3888 179.4459 117 N 4.2809 8.2420 114.8712 56.5037 38.6013 177.7558 118 I 3.6714 7.9389 120.9600 64.2964 37.1334 178.2623 119 A 3.9614 8.1744 121.4350 55.1588 18.0692 179.5113 120 A 3.9268 8.0886 119.1333 55.5761 18.2632 179.7008 121 D 4.3564 8.0296 116.1541 56.7890 40.9763 177.9794 122 L 4.3318 7.9451 116.7964 53.3346 42.7807 175.7201 123 D 4.3693 7.6392 117.6281 55.6847 40.0274 172.9449 124 L 4.8811 7.9557 117.1120 51.8196 45.4318 175.6227 125 P 4.4866 0.0000 0.0000 62.4041 32.3378 177.2138 126 L 3.9703 8.6564 119.8816 58.2291 41.5873 178.8894 127 D 4.5940 8.0818 114.1401 54.5573 39.5620 176.3666 128 R 4.6194 8.2117 118.5427 56.0192 31.6808 175.2401 129 V 4.9206 7.8344 119.2477 61.0795 33.7256 174.3562 130 N 5.1122 9.0872 125.5973 51.7903 42.6149 172.9619 131 V 4.9684 8.2998 123.8808 59.9664 34.4309 174.4944 132 K 4.8393 8.9661 126.3335 54.5012 35.6178 174.8680 133 A 5.2354 8.4699 123.3840 50.2765 21.8402 175.5883 134 K 4.7632 9.0646 120.3328 54.9977 37.1607 175.9960 135 T 4.7049 8.3367 112.4245 59.4740 71.6629 173.6601 136 N 4.7721 8.6297 116.2705 52.7814 39.0199 174.0032 137 E 3.8444 8.5319 113.4420 57.0340 27.6131 175.1498 138 K 4.0601 8.1072 112.5564 57.2785 30.5825 175.4990 139 L 4.4814 7.8290 119.1945 53.9747 43.5719 178.4203 140 G 3.9866 8.4825 112.0549 45.2035 0.0000 173.1366 141 Y 4.3248 8.0617 115.8330 60.1904 37.8181 178.1862 142 L 4.1160 7.1738 120.5335 57.6002 41.6085 179.5077 143 G 3.6552 7.8647 104.5434 47.2648 0.0000 175.0650 144 R 4.3904 7.9775 117.8214 55.6242 30.3705 176.7198 145 G 3.9508 7.8798 106.8810 46.7517 0.0000 174.8810 146 E 4.2725 8.5666 120.7752 57.5300 29.9994 176.1197 147 G 4.5053 7.5265 103.7422 45.6666 0.0000 172.4188 148 I 4.9409 8.5718 119.8005 59.3760 40.8626 174.7490 149 E 5.0610 8.8763 126.8044 54.4847 32.4153 174.3745 150 A 5.2820 8.8136 125.9737 50.3024 23.0319 174.9609 151 Q 5.2948 9.1374 118.2542 54.3032 32.8606 174.6064 152 A 5.2102 8.9523 122.1388 50.6070 23.3928 174.9254 153 A 5.2357 9.2243 120.6562 50.1630 22.9540 175.2413 154 A 5.0480 8.8418 121.7237 50.0899 23.2186 174.6789 155 L 5.2053 8.7987 123.3044 53.4345 44.8460 175.7855 156 V 5.2241 8.8099 118.3512 59.7802 36.6401 174.6289 157 V 4.9676 9.0020 120.5506 60.3081 34.9232 175.2348 158 R 4.2687 8.5990 119.2581 56.3146 28.9829 175.6622 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 1 M 8.30 4.49 0.00 2.04 2.19 0.00 0.00 0.00 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.61 0.00 2 D 7.36 4.57 0.00 2.86 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 3 F 8.79 5.05 0.00 2.99 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 4 R 9.22 4.93 0.00 1.58 1.71 0.00 3.28 0.00 0.00 3.30 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.65 0.00 5 I 8.43 5.03 1.87 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 1.29 1.23 0.92 0.00 0.00 6 G 8.90 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 0.00 0.00 0.00 0.00 7 Q 8.70 5.20 0.00 2.02 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.71 0.00 0.00 0.00 0.00 0.00 2.22 2.41 0.00 8 G 9.27 4.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.54 5.50 0.00 2.91 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 10 D 8.40 4.61 0.00 2.76 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 0.00 0.00 0.00 0.00 11 V 7.71 4.70 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 0.71 0.00 0.00 1.04 0.00 0.00 12 H 8.84 5.01 0.00 3.06 3.25 0.00 5.61 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 Q 8.66 4.68 0.00 2.03 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.98 0.00 0.00 0.00 0.00 0.00 2.41 2.36 0.00 14 L 8.39 4.98 0.00 1.62 1.71 1.03 0.83 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 15 V 9.01 4.73 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 0.78 0.00 0.00 1.00 0.00 0.00 16 P 0.00 4.59 0.00 2.05 2.02 0.00 3.70 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.96 0.00 17 G 7.92 4.17 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 0.00 18 R 7.54 4.11 0.00 1.89 1.86 0.00 3.30 0.00 0.00 3.38 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.62 0.00 19 P 0.00 4.43 0.00 2.07 2.05 0.00 3.75 0.00 0.00 3.58 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 20 L 8.54 4.42 0.00 2.11 1.85 0.91 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 21 I 8.27 5.02 1.83 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 1.32 0.99 0.88 0.00 0.00 22 I 8.31 4.78 1.82 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 1.18 0.66 0.87 0.00 0.00 23 G 9.92 3.99 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 0.00 0.00 0.00 24 G 8.98 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 25 V 7.56 4.18 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 1.01 0.00 0.00 26 T 8.43 4.72 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 27 I 8.45 4.34 1.77 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.64 0.72 0.00 0.00 28 P 0.00 4.32 0.00 1.98 2.06 0.00 3.71 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 2.07 2.12 0.00 29 Y 8.21 4.75 0.00 2.86 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 30 E 7.94 3.87 0.00 1.92 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.99 0.00 31 R 6.79 4.85 0.00 1.88 1.98 0.00 3.16 0.00 0.00 3.19 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.34 0.00 32 G 8.86 4.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 L 8.37 4.95 0.00 1.54 1.55 0.94 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 34 L 8.54 4.42 0.00 1.64 1.70 0.93 1.27 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 35 G 8.08 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 36 H 9.06 4.35 0.00 3.11 3.39 0.00 5.92 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 37 S 7.66 4.53 0.00 4.02 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 D 8.65 4.34 0.00 2.75 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 39 A 7.80 3.41 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 40 D 7.86 4.71 0.00 2.70 2.46 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 41 V 7.98 3.87 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 0.89 0.00 0.00 1.03 0.00 0.00 42 L 7.81 3.89 0.00 1.74 1.82 0.91 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 43 L 8.04 4.02 0.00 1.74 1.70 0.95 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 44 H 8.43 4.31 0.00 3.42 3.39 0.00 5.64 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 A 8.04 4.02 1.38 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 0.00 0.00 46 I 7.82 3.68 1.86 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.76 0.88 0.00 0.00 47 T 8.09 3.69 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 1.23 0.00 0.00 48 D 8.48 4.51 0.00 2.90 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 49 A 8.22 4.07 1.46 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 50 L 8.02 3.85 0.00 1.61 1.54 0.82 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 51 F 8.23 4.56 0.00 3.03 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 52 G 8.53 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.26 4.23 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 54 A 7.71 3.26 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 55 A 7.49 3.69 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 56 L 8.66 4.65 0.00 1.76 1.70 1.17 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 57 G 9.24 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 58 D 8.01 4.83 0.00 3.10 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 I 9.29 3.95 2.20 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 2.09 1.06 0.00 0.00 60 G 8.10 3.59 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 0.00 0.00 0.00 61 R 7.91 3.96 0.00 1.70 1.94 0.00 3.08 0.00 0.00 2.98 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 1.49 0.00 62 H 7.46 4.02 0.00 2.12 1.95 0.00 5.65 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 F 8.15 5.26 0.00 3.05 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 *74 D 8.32 4.51 0.00 3.09 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 75 S 8.74 4.23 0.00 3.87 3.97 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 76 R 7.98 3.87 0.00 1.95 2.04 0.00 3.11 0.00 0.00 3.32 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.66 0.00 77 A 8.84 3.95 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 L 7.71 3.50 0.00 1.72 1.23 0.75 -0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 79 L 8.14 3.92 0.00 1.82 1.80 0.86 1.19 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 80 R 8.14 3.90 0.00 2.02 1.96 0.00 3.17 0.00 0.00 3.23 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.78 0.00 81 E 8.41 4.02 0.00 2.22 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 0.00 2.65 2.75 0.00 82 C 8.59 3.99 0.00 2.78 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 83 A 8.15 3.94 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 84 S 8.25 4.08 0.00 3.96 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 0.00 85 R 8.32 4.03 0.00 2.28 2.16 0.00 3.43 0.00 0.00 3.26 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.95 0.00 86 V 8.16 3.74 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.94 0.00 0.00 87 A 8.21 4.39 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 Q 8.23 4.05 0.00 2.25 2.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.91 0.00 0.00 0.00 0.00 0.00 2.42 2.46 0.00 89 A 7.84 4.35 1.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.38 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 F 8.08 5.12 0.00 3.15 2.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 A 8.98 4.82 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 93 I 8.37 4.18 1.89 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 1.35 0.61 0.92 0.00 0.00 94 R 9.11 4.56 0.00 1.91 2.07 0.00 3.48 0.00 0.00 3.35 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 2.00 0.00 95 N 7.67 5.04 0.00 2.88 2.88 0.00 0.00 5.61 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 96 V 8.62 4.96 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 0.92 0.00 0.00 0.92 0.00 0.00 97 D 8.99 5.54 0.00 2.78 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 98 S 8.24 5.11 0.00 4.02 3.90 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 99 T 8.93 4.93 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 1.21 0.00 0.00 100 I 8.91 4.81 1.85 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 1.20 0.66 0.88 0.00 0.00 101 I 8.78 4.95 1.87 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 1.16 1.24 0.93 0.00 0.00 102 A 8.71 4.82 1.18 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 0.00 0.00 0.00 103 Q 8.99 3.98 0.00 2.21 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.71 0.00 0.00 0.00 0.00 0.00 2.54 2.42 0.00 104 A 7.21 4.40 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 0.00 105 P 0.00 4.51 0.00 2.10 1.89 0.00 3.26 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 1.72 1.54 0.00 106 K 8.39 4.12 0.00 1.77 1.78 0.00 1.72 0.00 0.00 1.69 0.00 0.00 2.97 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.44 1.40 7.81 107 L 8.40 4.56 0.00 1.65 1.68 0.87 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 108 A 8.07 3.98 1.30 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 0.00 0.00 109 P 0.00 4.21 0.00 1.66 2.00 0.00 3.60 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 2.11 0.00 110 H 8.20 4.78 0.00 3.29 3.30 0.00 5.82 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 I 7.45 3.72 1.86 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.84 0.94 0.00 0.00 112 D 8.08 4.33 0.00 2.67 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 0.00 113 A 7.92 4.03 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 M 7.90 4.26 0.00 2.10 2.26 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.86 2.60 0.00 115 R 8.19 3.89 0.00 1.98 1.98 0.00 3.12 0.00 0.00 3.32 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.96 0.00 116 A 8.03 3.98 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 0.00 117 N 8.24 4.28 0.00 2.99 2.86 0.00 0.00 7.06 6.84 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 0.00 118 I 7.94 3.67 1.86 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.66 0.90 0.00 0.00 119 A 8.17 3.96 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.09 3.93 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 0.00 121 D 8.03 4.36 0.00 2.79 2.72 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 0.00 122 L 7.95 4.33 0.00 1.66 1.69 0.90 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 123 D 7.64 4.37 0.00 2.70 2.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 L 7.96 4.88 0.00 1.61 1.52 0.92 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 125 P 0.00 4.49 0.00 2.35 2.18 0.00 3.72 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 1.99 0.00 126 L 8.66 3.97 0.00 1.73 1.78 0.92 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 127 D 8.08 4.59 0.00 2.76 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 0.00 128 R 8.21 4.62 0.00 1.92 2.07 0.00 3.08 0.00 0.00 3.33 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.55 0.00 129 V 7.83 4.92 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 0.73 0.00 0.00 0.93 0.00 0.00 130 N 9.09 5.11 0.00 2.85 2.76 0.00 0.00 6.20 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 0.00 131 V 8.30 4.97 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 1.17 0.00 0.00 0.92 0.00 0.00 132 K 8.97 4.84 0.00 1.80 1.65 0.00 1.65 0.00 0.00 1.65 0.00 0.00 2.86 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.34 1.48 7.81 133 A 8.47 5.24 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 0.00 134 K 9.06 4.76 0.00 1.61 1.63 0.00 1.66 0.00 0.00 1.69 0.00 0.00 2.90 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.34 1.50 7.81 135 T 8.34 4.70 4.41 0.00 0.00 0.00 0.00 0.00 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 0.00 136 N 8.63 4.77 0.00 2.74 2.70 0.00 0.00 6.98 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 137 E 8.53 3.84 0.00 2.05 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 2.24 2.39 0.00 138 K 8.11 4.06 0.00 1.94 1.90 0.00 1.70 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.36 1.54 7.81 139 L 7.83 4.48 0.00 1.78 1.51 0.90 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 140 G 8.48 3.99 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 0.00 0.00 0.00 141 Y 8.06 4.32 0.00 3.32 3.30 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 0.00 142 L 7.17 4.12 0.00 1.53 1.69 0.91 1.10 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 0.00 143 G 7.86 3.66 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 0.00 144 R 7.98 4.39 0.00 1.87 2.02 0.00 3.29 0.00 0.00 3.26 7.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.84 0.00 145 G 7.88 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 0.00 146 E 8.57 4.27 0.00 2.35 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 0.00 2.35 2.32 0.00 147 G 7.53 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 0.00 0.00 0.00 0.00 148 I 8.57 4.94 1.87 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 1.10 1.22 0.94 0.00 0.00 149 E 8.88 5.06 0.00 2.13 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 2.21 2.20 0.00 150 A 8.81 5.28 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 0.00 151 Q 9.14 5.29 0.00 2.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.63 0.00 0.00 0.00 0.00 0.00 2.43 2.35 0.00 152 A 8.95 5.21 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 0.00 153 A 9.22 5.24 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 0.00 154 A 8.84 5.05 1.18 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 0.00 0.00 0.00 155 L 8.80 5.21 0.00 1.78 1.68 1.03 0.66 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 0.00 156 V 8.81 5.22 2.21 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 0.64 0.00 0.00 0.61 0.00 0.00 157 V 9.00 4.97 1.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.00 0.00 0.11 0.00 0.00 158 R 8.60 4.27 0.00 1.54 1.35 0.00 3.09 0.00 0.00 3.03 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.50 0.00 * Residues marked with a * may have inaccurate shift predictions.