NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3966 8.3044 120.3740 55.8308 33.7951 174.3456 2 T 3.6886 7.5244 121.5960 62.5523 71.4514 170.4498 3 H 4.5872 9.3300 118.8299 55.8869 32.0483 174.0478 4 D 4.5866 8.7265 120.7435 53.3374 40.5501 178.4492 5 N 4.3812 9.7608 128.4976 52.2742 36.6412 174.3481 6 K 4.5270 8.1930 112.9763 56.8931 34.2392 177.3416 7 L 4.0562 8.3026 121.2608 59.1024 40.4563 177.9172 *8 Q 4.6620 7.7321 111.6136 53.7041 31.0706 178.5266 9 V 4.3766 7.9490 122.7925 62.2336 32.3900 174.3499 10 E 4.3485 8.2376 122.5119 54.7451 32.8373 176.6386 11 A 3.7324 7.8729 119.5230 52.9284 15.1976 176.5108 12 I 4.2125 8.0067 117.9602 60.5682 39.2668 175.8939 13 K 3.6717 8.4359 122.8564 54.8520 32.0527 173.6104 14 R 4.3343 8.0948 128.2107 54.1279 30.8043 176.3177 15 G 3.1535 7.2551 110.0609 45.5529 0.0000 170.4359 16 T 5.0008 7.7782 116.8400 61.6554 72.0166 173.7625 17 V 4.6524 8.9166 124.9924 61.3141 34.7699 174.4752 18 I 4.6121 8.6597 130.0986 60.3397 37.8415 174.5329 19 D 5.0023 8.6593 127.2634 52.8644 44.1292 175.1012 20 H 3.9456 8.4843 115.4347 56.8938 25.8574 175.7215 21 I 4.0091 7.5113 119.4746 60.1645 38.1709 174.3718 22 P 3.8885 0.0000 0.0000 64.8182 31.5572 175.7646 23 A 4.8124 8.6764 123.2653 53.7136 21.6764 178.0659 24 Q 3.7436 8.9427 119.3261 56.8809 27.3814 175.2399 25 I 4.1993 7.5943 118.9984 63.3913 37.1646 177.8806 26 G 3.7148 8.2356 106.8415 48.0856 0.0000 175.3502 27 F 4.0424 8.2846 123.1283 60.3886 39.3728 177.1626 28 K 3.7909 8.1814 117.6060 59.6468 32.0310 179.0780 29 L 4.1888 8.2879 119.3735 57.6757 41.0953 179.7452 30 L 3.9183 7.8824 119.0868 57.8835 41.4330 179.5173 31 S 3.8897 7.8229 115.3491 61.5976 62.5578 176.7717 32 L 3.6115 7.8639 121.0249 57.1720 41.4128 178.4404 33 F 4.5560 7.5693 114.2485 57.5395 39.6567 177.2238 34 K 4.1476 7.5282 119.8529 57.9472 28.9004 175.6723 35 L 4.2604 7.6806 120.5285 56.3487 42.2903 178.8313 36 T 4.2046 7.5754 107.9333 62.6725 69.9654 174.7512 37 E 4.3375 7.5356 124.9054 56.1143 28.8834 176.0001 38 T 4.7383 7.2262 113.6207 62.1198 72.8515 174.5166 39 D 4.5879 8.5568 122.3913 55.3152 41.5022 177.2181 40 Q 4.1764 7.6474 118.0214 55.2562 29.5593 175.3464 41 R 4.1614 8.3912 120.8290 56.4260 31.0934 175.0445 42 I 4.8294 8.3780 126.8840 59.8952 39.8930 175.0614 43 T 4.7551 8.7891 121.9235 61.8417 71.8370 173.1445 44 I 4.9677 8.4676 125.1496 59.4095 41.2540 174.8396 45 G 4.1610 9.0919 113.2653 44.4528 0.0000 171.8115 46 L 5.1189 8.5560 125.1264 54.0660 44.4864 176.4599 47 N 4.0633 9.1134 116.7239 54.1450 36.1637 173.2686 48 L 4.9589 8.6258 120.5309 51.5326 45.4910 174.1432 49 P 4.7776 0.0000 0.0000 63.5239 31.9340 175.3115 50 S 4.5243 9.3054 116.9319 57.2509 66.7505 173.6611 51 G 3.7489 8.7053 112.7385 45.4280 0.0000 172.1392 52 E 3.6476 8.8464 127.9362 54.7245 25.8750 173.0274 53 M 4.2673 9.3904 129.9558 54.5347 31.2116 176.1354 54 G 4.8260 8.5095 112.0240 44.9731 0.0000 172.6788 55 R 5.6701 7.7234 118.1935 52.9539 33.2146 173.8574 56 K 5.3043 8.4245 122.9642 56.2828 36.7868 173.8123 57 D 5.4333 8.6885 119.6223 52.8424 44.5839 175.1065 58 L 4.9532 8.5563 119.9354 54.2840 46.2663 174.0736 59 I 4.8729 8.5600 124.1628 59.5139 41.5115 174.2840 60 K 4.9199 9.4667 126.3157 54.7072 35.2097 175.2376 61 I 4.5377 8.5677 127.2032 59.3764 39.0727 175.3803 62 E 4.3344 8.5799 127.3851 56.8418 30.5976 177.8587 63 N 4.1654 8.8274 117.9892 54.0845 37.3936 174.4295 64 T 4.5003 7.1278 114.0127 61.4888 70.9541 173.9167 65 F 4.7468 8.7984 122.4425 54.5069 41.0610 174.3826 66 L 4.6931 8.3281 126.2207 54.3778 42.0995 175.9163 67 S 4.4267 8.7691 116.5573 57.8593 67.1029 173.2402 68 E 3.9361 8.3528 121.2445 57.0578 29.6347 174.9362 69 D 4.9567 7.9036 121.2772 54.7242 40.4838 178.6076 70 Q 3.9460 7.8406 119.5195 59.1353 28.8321 178.6635 71 V 3.6467 7.7340 118.5151 65.9394 31.4736 177.4546 72 D 4.5226 7.5608 118.5218 56.6757 40.5391 178.3709 73 Q 4.1214 7.7719 119.2500 58.9449 29.2164 177.9275 74 L 4.0744 7.5101 118.1037 56.9595 41.3533 178.9749 75 A 4.0817 7.9017 120.4554 54.7494 18.2987 178.4539 76 L 3.9894 8.0359 118.2464 57.2365 42.4936 176.9066 77 Y 4.6130 8.0700 113.8378 58.5175 39.8970 176.0646 78 A 4.8170 8.4317 122.7111 50.4443 19.5372 174.9702 79 P 4.3273 0.0000 0.0000 63.8969 32.3999 177.2186 80 Q 4.4304 6.9675 114.2583 54.5886 29.4407 174.2995 81 A 4.7448 7.7577 121.7950 51.5782 22.1057 175.1642 82 T 4.7780 8.6548 116.0005 61.7236 72.8092 173.8168 83 V 4.3600 8.8284 124.8463 61.2909 33.9248 173.7536 84 N 5.2122 9.2063 126.6616 52.3614 40.4041 174.2802 85 R 5.1804 9.2803 124.0358 54.6458 32.8811 174.3984 86 I 5.1622 9.0930 126.8580 59.5842 40.6329 173.9937 87 D 4.8395 9.0266 126.2186 53.0536 44.2301 174.4254 88 N 3.7621 9.2892 123.1450 56.1115 36.8007 172.3457 89 Y 3.9319 7.0584 109.8511 58.3866 36.7579 170.7115 90 E 4.6959 8.2195 118.8554 54.2458 32.8192 176.0270 91 V 4.1198 8.2608 123.2515 63.5303 29.4845 175.5726 92 V 4.1557 8.4456 123.1563 60.3781 31.7772 176.8135 93 G 4.1141 6.9918 104.0994 46.1316 0.0000 172.8494 94 K 5.1694 8.9691 124.2028 54.7651 34.7651 175.7342 95 S 4.9352 8.9926 120.6271 56.7844 66.5682 173.2338 96 R 5.1228 8.2036 118.5981 53.9235 33.6308 174.0574 97 P 4.5100 0.0000 0.0000 62.4192 32.2479 175.7923 98 S 4.7251 8.3455 114.1390 55.8918 65.5005 173.8962 99 L 4.0510 8.4297 125.4875 54.2565 41.6817 175.7747 100 P 4.6254 0.0000 0.0000 62.2320 32.6903 175.8013 101 E 4.3623 8.5543 115.7609 57.7152 31.0480 175.9632 102 R 5.1523 7.8189 119.5817 53.5974 33.5050 174.1938 103 I 4.5431 8.6023 126.1308 59.9464 39.7046 174.6745 104 D 4.9017 8.8356 127.5372 53.8935 42.5888 178.5420 105 N 4.3895 9.2229 120.5365 54.7641 38.3284 176.1677 106 V 3.8010 8.0453 115.5313 63.3420 31.9809 175.3472 107 L 4.6733 7.6778 118.1485 53.1942 43.9376 175.4752 108 V 4.4473 7.7452 118.4740 60.8790 34.0080 174.5324 109 C 4.5301 9.0310 127.9647 58.9024 31.7111 171.6433 110 P 4.1205 0.0000 0.0000 64.3498 31.4217 175.7387 111 N 4.6282 7.9413 119.3385 52.7452 38.6137 175.4024 112 S 4.2444 8.7291 121.1983 60.2669 63.2772 174.2562 113 N 4.7059 8.2277 118.4769 53.2489 39.3545 174.3737 114 C 4.1879 8.0271 118.7048 60.3315 31.7616 174.3573 115 I 3.7242 8.2979 125.9470 63.4568 37.9337 177.8894 116 S 3.8351 7.7029 113.8665 61.0737 63.0301 175.4492 117 H 4.2080 7.4810 117.5056 59.0730 28.3781 176.2873 118 A 4.4208 7.4558 117.7185 52.2686 18.1639 176.6476 119 E 4.7684 7.5422 115.5329 54.2546 33.7746 174.9851 120 P 4.5914 0.0000 0.0000 62.9569 30.0415 176.4145 121 V 4.5333 7.3417 109.8399 60.6228 34.9912 175.8623 122 S 4.7242 8.3651 118.0815 57.1340 64.3862 174.6342 123 S 4.5500 8.3924 118.3146 59.0630 64.4982 172.9154 124 S 5.1420 8.2000 114.4780 57.4382 65.7359 172.7670 125 F 5.2253 8.7373 123.5312 55.3322 42.4703 174.3171 126 A 4.3993 8.9340 126.1679 52.0667 19.3501 176.4335 127 V 4.8666 8.1789 122.0041 61.7647 33.5763 175.0347 128 R 4.4756 8.7733 121.5219 55.6399 33.8865 171.9032 129 K 3.8144 8.8893 123.7009 56.1449 29.7195 173.9102 130 R 3.9030 8.0747 122.5335 57.0281 30.7028 176.2698 131 A 3.8006 8.6267 121.1414 53.4078 17.2119 177.0448 132 N 4.3898 7.9594 111.9305 53.8101 38.0887 173.7422 133 D 4.2973 8.7958 117.5871 54.2238 41.5266 176.2438 134 I 3.9628 7.7027 122.3562 59.8603 35.5614 174.0374 135 A 5.2645 8.5321 127.6353 50.0063 22.2714 174.6141 136 L 5.3108 8.8659 120.5340 52.7789 45.4242 175.4120 137 K 5.0553 8.9803 124.8707 54.4355 34.6625 174.8354 138 C 3.6006 8.7843 128.5165 59.0897 32.2223 174.0007 139 K 3.5192 8.2171 127.8941 60.1602 31.6342 177.6889 140 Y 4.1281 7.9533 116.2994 60.6644 37.1250 176.4276 141 C 4.3181 8.0669 113.2255 58.4686 30.5670 173.6637 142 E 3.9541 7.8754 117.8537 56.2665 26.9496 173.9456 143 K 4.3467 7.2778 114.7096 55.0950 34.1737 175.4270 144 E 4.9436 8.2240 124.7821 54.6468 31.4297 174.6901 145 F 5.0517 9.0546 124.2435 55.5210 44.2482 173.8799 146 S 4.7673 8.6977 114.6788 57.7706 63.3457 174.2918 147 H 4.0878 9.3299 124.6891 59.1947 27.7080 177.4934 148 N 4.1042 7.7093 118.0058 55.6088 35.7332 176.9108 149 V 3.6555 7.8595 120.5670 65.7616 31.4190 178.2730 150 V 3.7502 7.5583 116.5079 65.2363 31.5129 176.2558 151 L 4.4306 7.7267 117.8200 54.9625 42.6661 177.5957 152 A 4.5317 8.3350 120.2483 50.7765 22.4624 176.5253 153 N 3.8558 7.1482 116.8857 54.1517 41.0919 173.9075 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 4.40 0.00 2.07 2.09 0.00 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.40 0.00 2 T 7.52 3.69 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 1.10 0.00 0.00 3 H 9.33 4.59 0.00 3.46 3.18 0.00 5.91 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 D 8.73 4.59 0.00 2.62 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 0.00 0.00 0.00 5 N 9.76 4.38 0.00 3.00 3.41 0.00 0.00 5.44 6.55 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 6 K 8.19 4.53 0.00 1.82 1.90 0.00 1.58 0.00 0.00 1.76 0.00 0.00 2.94 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.29 1.39 7.81 7 L 8.30 4.06 0.00 1.77 1.85 0.92 0.45 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 *8 Q 7.73 4.66 0.00 2.07 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.89 0.00 0.00 0.00 0.00 0.00 2.12 2.06 0.00 9 V 7.95 4.38 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 0.87 0.00 0.00 0.99 0.00 0.00 10 E 8.24 4.35 0.00 1.92 1.94 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 2.24 2.29 0.00 11 A 7.87 3.73 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 12 I 8.01 4.21 1.87 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.67 0.93 0.00 0.00 13 K 8.44 3.67 0.00 1.71 1.75 0.00 1.25 0.00 0.00 1.03 0.00 0.00 2.97 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.29 1.33 7.81 14 R 8.09 4.33 0.00 1.99 1.76 0.00 3.44 0.00 0.00 3.32 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 2.04 0.00 15 G 7.26 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 0.00 0.00 0.00 16 T 7.78 5.00 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 1.19 0.00 0.00 17 V 8.92 4.65 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 1.08 0.00 0.00 0.93 0.00 0.00 18 I 8.66 4.61 1.85 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 1.06 0.87 0.89 0.00 0.00 19 D 8.66 5.00 0.00 2.82 2.52 0.00 0.00 0.00 0.00 0.00 0.00 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 H 8.48 3.95 0.00 3.37 3.46 0.00 5.95 0.00 0.00 0.00 0.00 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 I 7.51 4.01 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 1.41 1.02 0.98 0.00 0.00 22 P 0.00 3.89 0.00 2.23 1.98 0.00 3.76 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.18 0.00 23 A 8.68 4.81 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 24 Q 8.94 3.74 0.00 2.26 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 7.04 0.00 0.00 0.00 0.00 0.00 2.28 2.33 0.00 25 I 7.59 4.20 1.94 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.06 1.07 0.00 0.00 26 G 8.24 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 0.00 0.00 0.00 27 F 8.28 4.04 0.00 3.16 3.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 K 8.18 3.79 0.00 2.01 1.70 0.00 1.83 0.00 0.00 1.91 0.00 0.00 3.02 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.55 1.63 7.81 29 L 8.29 4.19 0.00 1.81 1.74 0.92 0.57 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 30 L 7.88 3.92 0.00 1.55 1.46 0.89 0.78 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 31 S 7.82 3.89 0.00 3.65 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 32 L 7.86 3.61 0.00 1.30 0.48 0.71 0.18 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 33 F 7.57 4.56 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 34 K 7.53 4.15 0.00 1.82 2.07 0.00 1.86 0.00 0.00 1.59 0.00 0.00 2.86 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.34 1.59 7.81 35 L 7.68 4.26 0.00 1.62 1.70 0.89 0.70 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 36 T 7.58 4.20 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 37 E 7.54 4.34 0.00 2.02 1.94 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 2.31 2.31 0.00 38 T 7.23 4.74 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 1.22 0.00 0.00 39 D 8.56 4.59 0.00 2.66 2.70 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 40 Q 7.65 4.18 0.00 2.01 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.96 0.00 0.00 0.00 0.00 0.00 2.33 2.45 0.00 41 R 8.39 4.16 0.00 1.89 1.79 0.00 3.14 0.00 0.00 3.34 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.66 0.00 42 I 8.38 4.83 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 1.32 0.89 0.93 0.00 0.00 43 T 8.79 4.76 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 44 I 8.47 4.97 1.90 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.62 0.94 0.00 0.00 45 G 9.09 4.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 L 8.56 5.12 0.00 1.50 1.57 0.98 1.18 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 47 N 9.11 4.06 0.00 2.78 2.80 0.00 0.00 6.85 7.42 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 48 L 8.63 4.96 0.00 1.62 1.53 0.92 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 49 P 0.00 4.78 0.00 2.07 2.06 0.00 3.80 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 2.21 1.97 0.00 50 S 9.31 4.52 0.00 3.81 3.72 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 51 G 8.71 3.75 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 0.00 0.00 0.00 52 E 8.85 3.65 0.00 2.12 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.34 0.00 53 M 9.39 4.27 0.00 2.14 2.33 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 2.40 2.30 0.00 54 G 8.51 4.83 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 0.00 0.00 0.00 55 R 7.72 5.67 0.00 1.78 1.77 0.00 3.06 0.00 0.00 3.94 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.58 0.00 56 K 8.42 5.30 0.00 1.87 1.81 0.00 1.54 0.00 0.00 1.50 0.00 0.00 2.80 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.32 1.27 7.81 57 D 8.69 5.43 0.00 2.63 2.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 L 8.56 4.95 0.00 1.67 1.43 0.97 0.98 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 59 I 8.56 4.87 1.86 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 1.24 0.63 0.89 0.00 0.00 60 K 9.47 4.92 0.00 1.60 1.67 0.00 1.62 0.00 0.00 1.66 0.00 0.00 2.85 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.33 1.37 7.81 61 I 8.57 4.54 1.77 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 1.19 0.74 0.84 0.00 0.00 62 E 8.58 4.33 0.00 1.83 1.79 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 2.28 2.25 0.00 63 N 8.83 4.17 0.00 2.79 2.87 0.00 0.00 6.79 7.75 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 64 T 7.13 4.50 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 1.17 0.00 0.00 65 F 8.80 4.75 0.00 3.04 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 66 L 8.33 4.69 0.00 1.93 1.65 0.88 0.55 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 67 S 8.77 4.43 0.00 3.87 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 68 E 8.35 3.94 0.00 2.19 1.79 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 2.28 2.34 0.00 69 D 7.90 4.96 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 70 Q 7.84 3.95 0.00 2.26 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.02 7.02 0.00 0.00 0.00 0.00 0.00 2.38 2.38 0.00 71 V 7.73 3.65 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 1.06 0.00 0.00 0.92 0.00 0.00 72 D 7.56 4.52 0.00 2.86 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 73 Q 7.77 4.12 0.00 2.23 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 7.00 0.00 0.00 0.00 0.00 0.00 2.81 2.80 0.00 74 L 7.51 4.07 0.00 1.85 1.65 0.82 0.46 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 75 A 7.90 4.08 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 76 L 8.04 3.99 0.00 1.54 1.25 0.84 0.64 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 77 Y 8.07 4.61 0.00 3.03 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 78 A 8.43 4.82 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 79 P 0.00 4.33 0.00 2.20 2.41 0.00 3.76 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 2.00 2.00 0.00 80 Q 6.97 4.43 0.00 2.07 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.78 0.00 0.00 0.00 0.00 0.00 2.28 2.26 0.00 81 A 7.76 4.74 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 82 T 8.65 4.78 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 1.34 0.00 0.00 83 V 8.83 4.36 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 0.99 0.00 0.00 0.92 0.00 0.00 84 N 9.21 5.21 0.00 2.69 2.74 0.00 0.00 6.21 7.50 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 85 R 9.28 5.18 0.00 1.98 1.99 0.00 3.02 0.00 0.00 2.99 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.84 0.00 86 I 9.09 5.16 2.08 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.63 0.92 0.00 0.00 87 D 9.03 4.84 0.00 2.71 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 88 N 9.29 3.76 0.00 2.74 2.72 0.00 0.00 7.33 7.54 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 89 Y 7.06 3.93 0.00 3.16 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 90 E 8.22 4.70 0.00 2.08 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.38 0.00 91 V 8.26 4.12 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 1.04 0.00 0.00 0.97 0.00 0.00 92 V 8.45 4.16 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 0.69 0.00 0.00 0.90 0.00 0.00 93 G 6.99 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 0.00 0.00 0.00 94 K 8.97 5.17 0.00 1.62 1.72 0.00 1.72 0.00 0.00 1.72 0.00 0.00 2.92 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.61 1.44 7.81 95 S 8.99 4.94 0.00 3.75 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 0.00 96 R 8.20 5.12 0.00 1.63 1.78 0.00 3.52 0.00 0.00 3.23 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.57 0.00 97 P 0.00 4.51 0.00 2.05 2.16 0.00 3.78 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 2.02 2.09 0.00 98 S 8.35 4.73 0.00 3.80 3.77 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 99 L 8.43 4.05 0.00 1.67 1.61 0.91 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 100 P 0.00 4.63 0.00 2.39 2.09 0.00 3.78 0.00 0.00 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.01 0.00 101 E 8.55 4.36 0.00 2.08 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 0.00 2.35 2.32 0.00 102 R 7.82 5.15 0.00 1.81 1.82 0.00 2.99 0.00 0.00 2.25 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.50 0.00 103 I 8.60 4.54 2.02 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 1.45 1.22 1.08 0.00 0.00 104 D 8.84 4.90 0.00 2.73 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 0.00 105 N 9.22 4.39 0.00 2.88 2.97 0.00 0.00 6.88 7.37 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 0.00 106 V 8.05 3.80 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 0.70 0.00 0.00 0.46 0.00 0.00 107 L 7.68 4.67 0.00 1.66 1.26 0.80 0.68 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 0.00 108 V 7.75 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 0.84 0.00 0.00 0.95 0.00 0.00 109 C 9.03 4.53 0.00 3.23 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 0.00 110 P 0.00 4.12 0.00 1.73 1.83 0.00 3.43 0.00 0.00 3.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 1.16 0.00 111 N 7.94 4.63 0.00 3.27 3.01 0.00 0.00 6.96 7.63 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 0.00 112 S 8.73 4.24 0.00 4.00 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 0.00 113 N 8.23 4.71 0.00 2.73 2.90 0.00 0.00 7.08 7.43 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 0.00 114 C 8.03 4.19 0.00 3.14 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 0.00 115 I 8.30 3.72 1.83 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.95 0.74 0.00 0.00 116 S 7.70 3.84 0.00 3.82 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 0.00 117 H 7.48 4.21 0.00 3.28 3.40 0.00 5.67 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 0.00 118 A 7.46 4.42 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 0.00 119 E 7.54 4.77 0.00 1.77 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 2.20 2.17 0.00 120 P 0.00 4.59 0.00 2.17 2.13 0.00 3.68 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.98 0.00 121 V 7.34 4.53 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 0.76 0.00 0.00 0.60 0.00 0.00 122 S 8.37 4.72 0.00 3.91 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 S 8.39 4.55 0.00 4.20 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 0.00 124 S 8.20 5.14 0.00 3.89 3.57 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 0.00 125 F 8.74 5.23 0.00 3.14 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 0.00 126 A 8.93 4.40 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 0.00 127 V 8.18 4.87 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 0.82 0.00 0.00 0.97 0.00 0.00 128 R 8.77 4.48 0.00 1.88 1.97 0.00 2.95 0.00 0.00 3.10 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.58 0.00 129 K 8.89 3.81 0.00 1.97 1.84 0.00 1.72 0.00 0.00 1.81 0.00 0.00 3.03 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.68 1.44 7.81 130 R 8.07 3.90 0.00 1.87 1.83 0.00 3.48 0.00 0.00 3.34 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.57 0.00 131 A 8.63 3.80 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 0.00 132 N 7.96 4.39 0.00 2.84 2.95 0.00 0.00 7.10 8.06 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 0.00 133 D 8.80 4.30 0.00 2.79 3.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 134 I 7.70 3.96 1.52 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 1.42 0.91 0.00 0.00 135 A 8.53 5.26 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 0.00 136 L 8.87 5.31 0.00 1.68 1.70 0.79 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 137 K 8.98 5.06 0.00 1.84 1.67 0.00 1.61 0.00 0.00 1.55 0.00 0.00 2.77 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.28 1.30 7.81 138 C 8.78 3.60 0.00 3.13 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 0.00 139 K 8.22 3.52 0.00 1.63 1.37 0.00 1.62 0.00 0.00 1.22 0.00 0.00 2.47 0.00 0.00 2.70 0.00 0.00 0.00 0.00 0.64 1.09 7.81 140 Y 7.95 4.13 0.00 3.00 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 0.00 141 C 8.07 4.32 0.00 3.17 3.25 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 0.00 142 E 7.88 3.95 0.00 2.09 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 2.16 2.36 0.00 143 K 7.28 4.35 0.00 1.42 1.06 0.00 1.60 0.00 0.00 1.50 0.00 0.00 2.87 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.56 1.61 7.81 144 E 8.22 4.94 0.00 1.87 1.70 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 2.17 2.46 0.00 145 F 9.05 5.05 0.00 2.95 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 0.00 146 S 8.70 4.77 0.00 3.91 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 147 H 9.33 4.09 0.00 3.29 3.61 0.00 5.33 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 0.00 148 N 7.71 4.10 0.00 2.80 2.81 0.00 0.00 5.96 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 0.00 149 V 7.86 3.66 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 0.91 0.00 0.00 0.94 0.00 0.00 150 V 7.56 3.75 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 0.57 0.00 0.00 0.73 0.00 0.00 151 L 7.73 4.43 0.00 1.77 1.60 0.78 0.36 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 0.00 152 A 8.34 4.53 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 0.00 153 N 7.15 3.86 0.00 2.75 2.75 0.00 0.00 7.06 7.44 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 * Residues marked with a * may have inaccurate shift predictions.