NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3108 8.3049 120.3489 55.2522 33.4696 175.8978 2 I 3.9882 7.5411 119.6752 57.2598 38.2854 173.9406 3 P 4.4917 0.0000 0.0000 62.8646 33.5098 175.5908 4 V 4.8251 8.2179 114.2341 59.8375 34.7676 175.1967 5 V 4.3779 9.0367 122.0724 61.2934 34.2240 174.3125 6 I 4.6653 8.5095 129.0983 60.5613 38.1063 174.9824 7 E 4.7968 8.6494 126.2206 54.6110 32.5533 175.2276 8 Q 5.0399 8.6633 122.0379 54.5906 31.5916 174.1702 9 T 4.6223 7.5648 113.4684 60.4172 68.1835 177.6169 10 S 3.9581 9.0455 116.1697 58.8634 61.4950 169.2289 *13 E 4.1444 7.9705 119.0066 55.9367 29.1579 174.4904 14 R 4.5702 8.3303 122.7276 54.5578 33.1266 175.2832 15 S 4.7044 7.9048 113.5686 57.4774 64.7441 172.2425 16 Y 4.9832 8.5942 125.8687 55.8171 40.5506 175.9409 17 D 4.8728 8.7205 122.4930 52.9124 40.7560 176.9942 18 I 3.5647 8.2136 120.4356 64.6094 37.8189 177.8721 19 Y 4.3562 7.5887 116.8794 61.4202 37.5698 178.7040 20 S 4.2587 8.3187 114.8897 61.2899 63.0334 176.4055 21 R 3.4813 8.0570 121.7502 59.3087 29.8264 178.6462 22 L 3.9784 8.0321 118.7498 57.5614 41.6827 179.1806 23 L 4.3591 7.9434 121.5657 57.3296 41.7044 179.1368 24 K 4.1058 7.5665 118.0756 58.8666 31.8852 177.7493 25 D 4.7903 7.6617 117.1496 53.3713 41.4086 176.3950 26 R 3.9586 7.8851 116.9388 57.6187 27.7403 175.4790 27 I 5.0659 7.8269 117.7773 60.1288 39.5638 174.9287 28 I 5.0391 8.5076 129.6267 60.2447 41.0686 174.8634 *30 L 4.0800 8.4017 127.9728 56.4469 43.0879 177.2458 31 T 4.9288 8.0473 121.8315 62.8458 72.6121 175.6688 32 G 3.8619 8.1924 113.6110 43.9357 0.0000 171.3394 33 P 4.5658 0.0000 0.0000 62.7634 32.2672 176.8981 34 V 4.1091 8.4089 117.5883 61.0187 32.7713 175.3252 35 E 4.7524 8.4337 122.0626 55.4000 32.3665 174.7800 36 D 4.4523 8.8656 118.6743 57.6892 41.1060 178.1602 37 N 4.4705 8.8118 114.7036 53.9795 38.6009 176.4596 *39 A 4.1974 8.0300 123.0155 52.3148 20.6364 178.9168 40 N 4.2463 8.0122 113.5499 57.1455 38.8714 176.8431 41 S 4.0663 8.0729 114.2570 61.2813 62.3626 176.3330 42 V 3.5718 7.6125 120.3758 66.2082 31.3799 177.9304 43 I 3.7204 8.2356 119.7622 64.2752 36.9039 178.3385 44 A 4.0393 8.2959 121.8409 55.2554 18.2187 179.7270 45 Q 4.1215 8.1445 116.5388 59.0775 28.9078 178.9548 46 L 4.0463 8.3260 120.3375 57.9476 41.6894 179.6756 47 L 4.1253 8.2750 119.0384 57.9673 41.5448 178.8382 48 F 4.3030 8.5874 120.9584 60.6524 39.4465 176.7643 49 L 3.5159 8.2471 118.2449 58.0847 41.1504 179.4389 50 D 4.2279 7.9848 116.9191 57.1886 40.9337 177.9252 51 A 3.9925 7.6779 120.2305 55.3426 18.4175 179.2097 52 Q 4.2047 7.4986 115.2377 57.7618 29.3296 176.7751 53 D 4.1881 7.4835 117.0366 53.5832 42.7480 175.9353 54 S 4.4489 8.6445 122.3069 59.7825 62.7205 175.5301 55 T 4.2168 7.9583 108.9422 62.6513 69.4623 175.2302 56 K 4.2854 7.2212 120.7872 55.4489 32.9729 176.3257 57 D 4.7421 8.3042 122.5704 54.1330 42.3935 175.3566 58 I 4.4458 8.0263 119.4874 59.8087 41.0501 174.8026 59 Y 4.7029 9.0065 124.8825 56.4008 39.5589 174.8618 60 L 4.9645 8.8708 129.1264 53.7611 42.7668 174.8914 61 Y 4.7163 8.7373 124.7390 57.7066 38.7955 175.5684 62 V 4.5481 9.3416 124.1747 61.3484 34.7013 174.4186 63 N 5.2456 8.9762 126.1328 53.0017 40.7468 172.3094 64 T 4.9152 8.0081 117.6650 59.2831 71.4135 171.9041 65 P 4.5189 0.0000 0.0000 63.2638 32.4636 176.8890 66 G 3.9573 7.6936 106.8638 47.5917 0.0000 174.2674 67 G 4.2441 7.4824 109.7338 45.9226 0.0000 175.2161 68 S 4.1472 8.5545 121.6750 57.9153 62.8142 175.0018 69 V 3.5932 8.4851 127.2557 66.0788 31.5037 178.4119 70 S 4.0849 7.9954 113.4425 61.3635 62.8381 176.1465 71 A 4.1013 8.0835 124.5392 54.7049 18.0130 179.9314 72 G 3.5145 7.9191 103.9796 48.0236 0.0000 176.0949 73 L 4.0073 8.2785 121.4938 56.9673 41.5121 179.4568 74 A 4.0551 7.8957 120.8200 54.8744 18.0576 179.6585 75 I 3.5942 7.3198 117.7881 64.4846 37.3405 178.0989 76 V 3.7614 7.7256 118.0712 66.6623 31.6112 177.7242 77 D 4.6020 8.2532 117.9700 57.1833 40.5962 178.6422 78 T 4.0196 7.7674 115.6990 64.0931 68.3775 176.1399 *80 N 4.7006 8.1485 120.3792 53.4073 40.7536 176.0435 81 F 4.3333 8.2603 119.7817 60.8503 39.6293 175.8577 82 I 3.6398 7.6163 113.6911 60.3950 37.8449 176.4215 83 K 3.9062 8.3791 123.4297 58.8395 32.2855 177.7281 84 A 4.1550 7.8587 120.2589 51.8880 18.8719 176.2890 85 D 4.5152 8.5522 122.1248 53.9772 42.4175 175.4771 86 V 4.4500 8.2698 124.0326 61.3853 33.0834 174.8295 87 Q 4.8213 9.0631 128.5850 55.8353 30.3231 175.2673 88 T 5.1272 8.5227 112.1903 60.0173 72.1189 173.1321 89 I 5.0250 8.6716 124.9374 59.5431 40.0841 175.4854 90 V 4.5515 7.9011 127.4580 62.1948 32.5142 176.2318 *92 G 3.9798 8.6751 108.8790 45.8799 0.0000 172.7082 *94 A 4.6471 7.7318 122.8301 51.1976 20.0942 175.0370 95 A 4.4443 7.9998 124.1672 51.3986 22.0161 177.3814 96 S 4.4161 7.9764 120.8786 59.3551 62.3821 173.3451 *98 G 3.8494 7.7911 107.6117 45.4676 0.0000 174.9286 99 T 3.4704 7.4487 110.3669 64.4352 68.6765 177.0535 100 V 3.6453 7.5450 119.6320 65.7107 31.5265 177.7472 101 I 3.8326 7.5901 118.6624 64.2818 37.1904 177.9628 102 A 4.0914 8.0785 121.6836 55.3490 18.1082 179.9214 103 S 4.4508 8.2867 110.8169 61.3742 63.2458 175.4033 104 S 4.5512 7.8169 115.2444 58.9310 62.6329 174.5281 105 G 3.9171 7.8154 108.2729 45.8212 0.0000 173.5272 106 A 4.1025 8.7255 122.8830 52.0083 19.4590 177.1946 107 K 4.0984 8.5612 123.2957 57.7035 32.4589 177.3214 108 G 4.0061 9.5198 115.3603 45.2756 0.0000 173.4812 109 K 4.3108 7.6490 119.3453 56.1961 33.0279 176.2986 110 R 4.7636 7.7213 118.3396 54.9924 32.9362 175.5976 111 F 5.6635 8.9322 127.1286 55.2092 42.7131 174.7911 *113 L 4.3171 8.2998 118.0586 55.0244 42.7565 176.5700 114 P 4.2389 0.0000 0.0000 65.7805 31.3839 177.2725 115 N 4.6244 8.0332 111.4719 53.1492 38.8264 174.6779 116 A 4.5944 7.5487 120.4893 52.2233 19.3670 176.6301 117 E 4.9714 8.7415 117.2969 55.4501 34.0040 174.1446 118 Y 5.7306 8.9268 121.4956 55.5783 42.5723 174.8275 *120 I 3.7977 8.2361 111.8309 59.8798 39.4337 175.2896 121 H 4.1277 7.6527 121.1490 56.2636 29.9516 173.9059 122 Q 4.2596 7.9680 125.8705 53.0461 28.6792 173.5746 123 P 4.0938 0.0000 0.0000 62.1781 32.2432 176.1668 *139 A 4.0432 8.2638 121.6324 51.9494 19.1177 175.5044 140 P 4.0376 0.0000 0.0000 66.3269 32.0876 178.2309 141 E 4.0195 8.0565 117.8608 59.2565 29.5272 179.0677 142 H 4.2943 8.0211 119.0134 59.2845 29.9960 177.0135 143 L 3.8889 7.9946 120.2991 57.9219 41.4067 179.5048 144 L 3.9427 7.6756 118.7030 57.5679 41.6569 179.3515 145 K 3.9107 7.6851 119.7263 59.8394 32.1282 178.9691 146 T 3.9120 8.0498 110.1043 64.7175 68.7223 176.5731 147 R 3.8982 7.9740 121.5616 59.1542 29.9418 178.3394 148 N 4.2994 8.1227 116.3393 56.4494 38.5246 177.3130 149 T 3.8628 7.7663 116.9580 66.8193 68.5183 176.5569 150 L 3.9853 8.2690 121.0222 57.9575 41.5714 179.5565 151 E 4.0283 8.2523 118.5452 58.9906 29.3445 179.3526 152 K 3.9560 8.3957 120.1996 59.4530 32.2080 178.9791 153 I 3.7262 7.9202 120.0503 64.5439 36.9849 178.2038 154 L 4.1896 8.3349 119.9059 57.9750 41.5777 179.6842 155 A 4.0276 8.3931 120.5519 55.4266 18.2287 179.4685 156 E 3.9658 8.0842 115.5878 59.8282 29.5944 179.2613 157 N 4.6140 8.5728 116.0350 55.0541 38.5576 176.4972 158 S 5.1214 7.3378 114.7646 56.2374 63.3932 175.1213 159 G 4.1352 7.6811 109.3645 46.5935 0.0000 173.8618 160 Q 4.4134 7.1580 118.4638 53.9752 31.1329 176.8162 161 S 4.4662 7.9377 117.7519 58.6213 63.7032 175.2349 *163 E 4.2382 8.8334 114.9217 56.5885 31.5033 177.6436 164 K 3.8735 7.8510 119.1630 59.8102 32.0969 178.9452 165 V 3.9278 7.8432 119.6421 65.6330 31.1501 177.4038 166 H 4.2152 8.3243 117.4509 59.1124 29.5507 176.8416 167 A 4.0027 7.7450 121.2686 55.5100 18.6125 179.1214 168 D 4.4704 8.2424 117.1234 57.2614 40.5494 178.7929 169 A 3.9975 8.3899 121.9763 55.1244 18.2167 179.2668 170 E 4.0958 7.7190 112.7530 58.3318 29.6943 178.0915 171 R 4.1851 7.8203 118.7423 55.3386 30.3825 175.2800 172 D 4.5720 7.8221 115.7331 55.8104 38.6450 172.9582 173 N 4.9889 7.2338 113.7054 51.1572 40.0269 175.5715 174 W 4.5973 8.3608 121.3178 56.2912 30.7644 175.7888 *176 S 4.3395 8.2947 115.5376 58.8831 65.0540 174.4361 177 A 3.9855 8.2963 122.5733 55.2605 18.0797 179.3799 178 Q 3.9197 8.0896 117.5196 59.6593 29.2238 178.4406 179 E 4.0904 8.0870 118.8359 59.6562 29.2971 179.4120 180 T 4.1202 7.8713 115.2878 65.8786 68.0935 176.8789 181 L 3.9095 7.8108 122.3123 58.1062 41.9364 178.5839 182 E 3.9813 8.0166 118.1721 59.3849 29.3121 177.8368 183 Y 3.8596 8.1694 119.8231 58.9156 38.9320 176.7401 184 G 4.0631 7.7259 105.6131 45.2143 0.0000 175.0333 185 F 4.5999 7.6920 118.8569 58.6365 39.3064 175.3208 186 I 4.6599 7.4577 111.7019 59.1092 40.3685 174.4651 187 D 4.7370 8.5272 119.0304 54.3814 42.7471 176.5774 188 E 4.6835 7.4376 117.2873 55.3662 32.7445 174.6345 189 I 4.4974 8.0809 127.0335 60.3202 38.9781 174.4792 *191 A 4.0937 8.1843 124.9403 53.2409 19.3941 176.9547 192 N 4.6696 8.2735 118.6272 52.7694 37.4226 173.7037 193 N 4.8340 8.3213 118.0245 52.7654 38.9233 175.7036 194 S 4.1773 8.0086 120.7357 59.1782 64.2987 174.2358 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 4.31 0.00 1.99 2.11 0.00 0.00 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.56 0.00 2 I 7.54 3.99 1.83 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 1.50 0.83 0.75 0.00 0.00 3 P 0.00 4.49 0.00 2.05 2.12 0.00 3.45 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.90 0.00 4 V 8.22 4.83 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 0.68 0.00 0.00 0.92 0.00 0.00 5 V 9.04 4.38 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 1.04 0.00 0.00 0.92 0.00 0.00 6 I 8.51 4.67 1.88 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 1.34 0.95 0.91 0.00 0.00 7 E 8.65 4.80 0.00 2.02 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.48 0.00 8 Q 8.66 5.04 0.00 2.02 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.81 0.00 0.00 0.00 0.00 0.00 2.27 2.31 0.00 9 T 7.56 4.62 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 1.25 0.00 0.00 10 S 9.05 3.96 0.00 4.07 4.11 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 *13 E 7.97 4.14 0.00 1.94 1.91 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 2.16 2.29 0.00 14 R 8.33 4.57 0.00 1.49 1.83 0.00 2.80 0.00 0.00 3.14 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.64 0.00 15 S 7.90 4.70 0.00 3.78 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 16 Y 8.59 4.98 0.00 3.02 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 17 D 8.72 4.87 0.00 2.80 2.83 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 18 I 8.21 3.56 1.69 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 1.33 1.04 0.25 0.00 0.00 19 Y 7.59 4.36 0.00 3.22 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 20 S 8.32 4.26 0.00 4.17 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 0.00 21 R 8.06 3.48 0.00 1.88 2.05 0.00 2.77 0.00 0.00 2.98 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.62 0.00 22 L 8.03 3.98 0.00 2.01 1.75 0.90 0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 23 L 7.94 4.36 0.00 1.94 1.91 1.13 0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 24 K 7.57 4.11 0.00 1.77 1.80 0.00 1.77 0.00 0.00 1.71 0.00 0.00 3.04 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.26 1.03 7.81 25 D 7.66 4.79 0.00 2.77 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 26 R 7.89 3.96 0.00 2.28 2.08 0.00 3.13 0.00 0.00 3.47 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.66 0.00 27 I 7.83 5.07 2.14 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 1.42 1.11 0.00 0.00 28 I 8.51 5.04 1.96 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.31 0.99 0.00 0.00 *30 L 8.40 4.08 0.00 1.78 1.78 0.93 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 31 T 8.05 4.93 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 1.20 0.00 0.00 32 G 8.19 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 0.00 0.00 0.00 33 P 0.00 4.57 0.00 1.94 1.99 0.00 3.67 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.12 0.00 34 V 8.41 4.11 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 0.82 0.00 0.00 0.94 0.00 0.00 35 E 8.43 4.75 0.00 1.89 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.55 0.00 36 D 8.87 4.45 0.00 2.80 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 37 N 8.81 4.47 0.00 3.06 2.81 0.00 0.00 6.77 8.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *39 A 8.03 4.20 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 40 N 8.01 4.25 0.00 3.12 2.96 0.00 0.00 6.92 7.14 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 41 S 8.07 4.07 0.00 3.94 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 42 V 7.61 3.57 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 1.13 0.00 0.00 0.93 0.00 0.00 43 I 8.24 3.72 2.02 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 1.47 0.43 0.93 0.00 0.00 44 A 8.30 4.04 1.41 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 45 Q 8.14 4.12 0.00 2.41 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.75 0.00 0.00 0.00 0.00 0.00 2.45 2.54 0.00 46 L 8.33 4.05 0.00 1.92 1.77 0.96 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 47 L 8.27 4.13 0.00 1.92 1.80 0.96 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 48 F 8.59 4.30 0.00 3.12 3.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 L 8.25 3.52 0.00 1.71 1.67 0.98 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 50 D 7.98 4.23 0.00 2.82 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 51 A 7.68 3.99 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 52 Q 7.50 4.20 0.00 1.96 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.78 0.00 0.00 0.00 0.00 0.00 1.50 1.82 0.00 53 D 7.48 4.19 0.00 2.59 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 54 S 8.64 4.45 0.00 3.84 3.78 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 55 T 7.96 4.22 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 1.18 0.00 0.00 56 K 7.22 4.29 0.00 1.85 1.77 0.00 1.71 0.00 0.00 1.73 0.00 0.00 3.02 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.45 1.60 7.81 57 D 8.30 4.74 0.00 2.30 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 0.00 0.00 0.00 0.00 58 I 8.03 4.45 1.76 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.56 0.90 0.00 0.00 59 Y 9.01 4.70 0.00 2.97 2.79 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 60 L 8.87 4.96 0.00 1.77 1.73 0.97 0.77 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 61 Y 8.74 4.72 0.00 2.95 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 62 V 9.34 4.55 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 0.97 0.00 0.00 1.03 0.00 0.00 63 N 8.98 5.25 0.00 2.93 2.66 0.00 0.00 6.20 7.28 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 64 T 8.01 4.92 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 1.19 0.00 0.00 65 P 0.00 4.52 0.00 2.25 2.19 0.00 3.91 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 1.99 1.97 0.00 66 G 7.69 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 0.00 0.00 0.00 67 G 7.48 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 0.00 0.00 0.00 0.00 68 S 8.55 4.15 0.00 3.87 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 69 V 8.49 3.59 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 1.09 0.00 0.00 0.88 0.00 0.00 70 S 8.00 4.08 0.00 4.08 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 0.00 71 A 8.08 4.10 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 72 G 7.92 3.51 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 73 L 8.28 4.01 0.00 1.81 1.73 0.91 1.00 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 74 A 7.90 4.06 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 75 I 7.32 3.59 2.04 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 1.42 0.68 0.92 0.00 0.00 76 V 7.73 3.76 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 0.85 0.00 0.00 0.97 0.00 0.00 77 D 8.25 4.60 0.00 2.93 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 78 T 7.77 4.02 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 *80 N 8.15 4.70 0.00 2.80 2.96 0.00 0.00 7.08 7.45 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 81 F 8.26 4.33 0.00 3.03 3.15 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 0.00 82 I 7.62 3.64 1.96 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 1.47 0.86 1.09 0.00 0.00 83 K 8.38 3.91 0.00 1.65 1.81 0.00 1.64 0.00 0.00 1.61 0.00 0.00 2.88 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.22 1.20 7.81 84 A 7.86 4.15 1.24 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 0.00 0.00 85 D 8.55 4.52 0.00 2.76 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 86 V 8.27 4.45 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.91 0.00 0.00 87 Q 9.06 4.82 0.00 2.03 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.52 0.00 0.00 0.00 0.00 0.00 2.39 2.20 0.00 88 T 8.52 5.13 4.30 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 1.26 0.00 0.00 89 I 8.67 5.02 1.28 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 0.86 1.00 1.00 0.00 0.00 90 V 7.90 4.55 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 1.20 0.00 0.00 1.16 0.00 0.00 *92 G 8.68 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 *94 A 7.73 4.65 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 95 A 8.00 4.44 1.15 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 0.00 0.00 0.00 96 S 7.98 4.42 0.00 3.95 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 *98 G 7.79 3.85 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 0.00 0.00 0.00 99 T 7.45 3.47 3.53 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 0.05 0.00 0.00 100 V 7.54 3.65 2.01 0.00 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0.00 142 H 8.02 4.29 0.00 3.13 3.42 0.00 5.62 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 0.00 143 L 7.99 3.89 0.00 1.84 1.68 0.90 0.59 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 0.00 144 L 7.68 3.94 0.00 1.84 1.71 0.92 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 145 K 7.69 3.91 0.00 1.83 2.02 0.00 1.64 0.00 0.00 1.71 0.00 0.00 3.04 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.46 1.46 7.81 146 T 8.05 3.91 4.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 147 R 7.97 3.90 0.00 2.08 1.93 0.00 3.09 0.00 0.00 3.15 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.62 0.00 148 N 8.12 4.30 0.00 2.98 2.83 0.00 0.00 6.96 7.05 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 0.00 149 T 7.77 3.86 4.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 150 L 8.27 3.99 0.00 1.62 1.67 0.86 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 151 E 8.25 4.03 0.00 2.25 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 2.37 2.32 0.00 152 K 8.40 3.96 0.00 1.99 1.99 0.00 1.64 0.00 0.00 1.65 0.00 0.00 3.09 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.45 1.49 7.81 153 I 7.92 3.73 2.02 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 1.54 0.66 0.95 0.00 0.00 154 L 8.33 4.19 0.00 1.94 2.09 0.83 0.69 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 0.00 155 A 8.39 4.03 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.08 3.97 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 2.36 2.54 0.00 157 N 8.57 4.61 0.00 3.12 3.07 0.00 0.00 6.89 8.36 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 0.00 158 S 7.34 5.12 0.00 3.71 3.31 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 0.00 159 G 7.68 4.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 160 Q 7.16 4.41 0.00 1.86 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.81 0.00 0.00 0.00 0.00 0.00 2.25 1.97 0.00 161 S 7.94 4.47 0.00 4.19 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 *163 E 8.83 4.24 0.00 2.14 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.39 0.00 164 K 7.85 3.87 0.00 1.76 1.94 0.00 1.53 0.00 0.00 1.38 0.00 0.00 2.69 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.47 1.44 7.81 165 V 7.84 3.93 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 1.35 0.00 0.00 1.25 0.00 0.00 166 H 8.32 4.22 0.00 3.36 3.51 0.00 5.93 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 0.00 167 A 7.75 4.00 1.41 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 0.00 168 D 8.24 4.47 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 0.00 169 A 8.39 4.00 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 0.00 170 E 7.72 4.10 0.00 2.18 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 0.00 2.44 2.28 0.00 171 R 7.82 4.19 0.00 1.94 1.91 0.00 3.28 0.00 0.00 3.15 7.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.69 0.00 172 D 7.82 4.57 0.00 2.67 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 0.00 173 N 7.23 4.99 0.00 2.69 2.81 0.00 0.00 6.78 8.76 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 0.00 174 W 8.36 4.60 0.00 3.29 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 *176 S 8.29 4.34 0.00 4.12 4.12 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 0.00 177 A 8.30 3.99 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 178 Q 8.09 3.92 0.00 2.19 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.84 0.00 0.00 0.00 0.00 0.00 2.45 2.55 0.00 179 E 8.09 4.09 0.00 2.28 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 0.00 2.40 2.41 0.00 180 T 7.87 4.12 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 0.42 0.00 0.00 181 L 7.81 3.91 0.00 1.78 1.85 0.92 0.58 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 0.00 182 E 8.02 3.98 0.00 2.04 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 2.30 0.00 183 Y 8.17 3.86 0.00 3.36 2.79 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 0.00 184 G 7.73 4.06 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 0.00 0.00 0.00 185 F 7.69 4.60 0.00 2.77 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 0.00 186 I 7.46 4.66 1.97 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 1.37 0.61 0.82 0.00 0.00 187 D 8.53 4.74 0.00 2.28 2.56 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 0.00 188 E 7.44 4.68 0.00 1.73 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.29 0.00 189 I 8.08 4.50 1.91 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 1.38 0.72 0.96 0.00 0.00 *191 A 8.18 4.09 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 0.00 192 N 8.27 4.67 0.00 2.70 2.77 0.00 0.00 7.01 7.79 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 0.00 193 N 8.32 4.83 0.00 2.75 2.81 0.00 0.00 7.01 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 194 S 8.01 4.18 0.00 3.78 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.