NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 T 4.3702 8.0176 110.9386 61.1418 70.3999 174.5573 5 V 3.1906 8.0738 122.1133 63.9202 31.1441 176.6909 6 Q 3.4864 8.4399 120.9551 58.8612 29.2621 179.0746 7 D 4.3661 7.9335 119.7883 57.4870 40.7990 178.7501 8 I 3.6635 7.6977 120.1810 64.6155 37.0849 178.3575 9 C 4.0123 7.9536 117.4345 62.6092 27.9730 175.9302 10 F 4.0308 8.3695 121.9897 61.2305 38.9600 176.8480 11 A 3.9717 8.3827 120.6983 55.1561 18.1785 179.2448 12 F 3.8853 8.3365 119.1951 61.3688 39.4151 177.3362 13 L 3.2834 7.6921 118.2753 57.6237 41.4562 179.3696 14 Q 3.8155 7.6069 117.7776 59.1278 28.5770 178.9548 15 N 4.0933 8.0322 117.4302 56.3584 38.3901 176.3716 16 Y 3.5767 7.5232 121.0495 61.3437 38.3882 178.2408 17 Y 3.9277 7.4745 116.4412 60.8105 38.3143 177.9422 18 E 4.0519 8.1675 119.7877 59.2595 29.5666 179.4778 19 R 4.0676 7.9889 119.8477 58.6427 29.8790 178.6089 20 M 3.8882 7.4769 118.1927 58.5000 31.8612 178.2606 21 R 3.9762 7.4896 117.9867 58.8763 30.4088 177.7661 22 T 4.4667 7.4619 108.6532 62.8444 70.1767 173.3985 23 D 4.6349 8.4928 119.4706 52.5913 42.3974 173.4377 24 P 4.2032 0.0000 0.0000 65.0899 31.6144 178.6984 25 S 4.4294 8.1462 110.8041 59.7134 63.4947 175.3071 26 K 4.7102 8.0397 120.0284 56.6137 32.8796 177.7420 27 L 4.2114 7.7383 119.5086 58.1713 41.5483 179.2345 28 A 4.3700 8.2804 119.5485 54.9353 18.1535 178.4710 29 Y 4.1443 7.9224 113.4456 59.6305 38.3137 176.4073 30 F 4.4468 8.5954 118.3646 58.2960 39.5577 174.6306 31 Y 5.0843 7.8668 118.6659 55.7507 39.8121 175.5985 32 A 4.2731 8.8687 126.5885 52.1230 19.2851 179.0582 33 S 4.1907 8.8602 114.9941 60.9831 63.0540 175.8986 34 T 4.6856 7.6521 109.0268 60.9408 69.2304 174.2064 35 A 4.5086 7.9374 123.6316 53.1003 20.2001 176.9985 36 E 5.0398 9.1371 119.3515 54.4409 32.4224 175.0065 37 L 5.1859 9.0738 126.2595 53.5127 45.5822 175.2391 38 T 4.9591 9.2322 122.1876 62.1873 71.5485 172.3529 39 H 5.1796 8.7866 125.7944 53.7496 34.3083 172.3232 40 T 4.1166 8.4024 117.5032 64.4078 68.9416 174.3073 41 N 4.6271 9.1560 126.4925 52.6621 37.3308 174.8610 42 Y 4.3011 8.1068 121.5321 59.9467 38.2833 177.4392 43 Q 4.4043 8.1510 117.5386 57.1310 30.3192 177.7574 44 S 4.6796 7.2066 118.1925 57.8180 61.9168 176.5409 *51 D 4.4424 8.6549 129.1670 55.4012 41.3697 174.4601 52 D 4.8674 8.7060 121.2335 52.9058 39.9421 175.6378 53 V 4.8696 7.6957 111.4336 59.9387 35.4193 174.5629 54 L 4.7142 7.8908 120.1321 51.9357 45.1408 175.0061 55 P 4.6992 0.0000 0.0000 63.1045 32.7512 175.0215 56 T 5.3170 8.4132 110.6580 59.9325 72.1228 173.2347 57 V 4.4879 8.6773 121.0453 59.8453 34.9908 174.5190 58 K 4.7798 8.4907 122.1633 55.5405 33.5203 176.2782 59 V 4.3698 8.9780 124.0420 61.3364 35.0567 174.0471 60 T 4.8698 8.6601 123.3923 62.8680 71.3651 174.5478 61 G 4.0252 9.3631 112.7570 46.0413 0.0000 174.4365 62 R 3.7829 8.7702 121.6828 59.0757 30.0452 178.9261 63 E 3.9044 8.1050 117.9306 59.7674 29.5112 179.1069 64 N 4.3970 8.0378 115.7130 56.1789 38.6187 177.4918 65 I 3.4938 7.8422 121.5183 64.1825 37.0580 177.9548 66 N 4.4171 8.5134 118.3986 56.5516 38.7248 176.7398 67 K 3.9142 8.1264 121.0886 59.4259 32.0010 178.3800 68 F 4.0310 8.0794 119.8449 61.4172 39.5144 176.7770 69 F 4.4172 8.1584 117.2411 60.6746 38.7626 177.9384 70 S 4.2202 8.7097 117.6050 62.3973 62.4771 177.6977 71 R 4.0534 8.0636 121.9472 60.3891 29.2529 178.7997 72 N 4.8795 7.2849 114.0385 53.3185 39.1831 176.0136 73 D 4.2804 7.8792 118.9834 57.8220 40.8428 178.5388 74 A 3.9133 7.7586 118.9505 55.0197 18.7821 179.0337 75 K 3.8760 7.6837 117.5246 59.5331 32.3082 178.8707 76 V 3.7031 7.9361 118.8215 66.2813 31.2361 178.1772 77 R 4.2063 8.3644 118.0313 57.8325 30.2386 178.0463 78 S 4.5704 7.9206 112.6810 57.2173 63.5627 173.3141 79 L 3.8122 7.3571 126.0420 55.1445 42.3765 176.1902 80 K 4.5303 8.3385 124.7282 54.6804 36.6092 175.0225 81 L 4.9607 7.9257 120.5011 54.6732 43.6648 174.4436 82 K 4.4651 9.2564 122.4563 54.8156 33.9576 174.7277 83 L 4.6238 8.5542 130.5074 54.5944 42.2368 175.3992 84 D 4.8611 9.2942 127.5828 56.1976 42.7170 176.8477 85 T 4.8773 7.5912 106.3109 60.1821 72.5897 173.0116 86 I 5.4217 8.2392 122.4431 58.7553 41.0404 174.3609 87 D 5.0791 8.7244 125.1863 52.5063 44.7013 174.6373 88 F 5.4647 7.6886 115.2432 55.9018 41.4199 173.2866 89 Q 4.6749 8.8541 117.1922 54.8489 33.5336 173.9153 90 Y 4.8600 8.4605 118.5412 58.6077 39.4746 174.3286 91 T 4.3268 9.2305 115.7047 62.5313 71.9115 173.4262 92 G 4.0529 8.6761 110.3014 44.9563 0.0000 171.6192 93 H 4.3261 8.7632 119.1605 57.6060 30.0923 176.3076 94 L 3.3655 9.1757 124.7287 55.3641 39.1106 173.5950 95 H 4.2480 8.0291 115.2596 57.4437 28.5429 175.4644 96 K 4.3546 7.9213 116.5149 56.3405 33.2806 177.2112 97 S 4.9755 8.0532 115.6301 57.9944 64.9857 173.1321 98 I 4.7476 8.5829 122.2540 59.4789 40.2431 174.4082 99 L 4.9181 8.9374 130.0947 53.9931 43.7061 175.2237 100 I 5.2210 9.0485 126.8762 59.6859 41.0641 173.9396 101 M 5.2932 9.3695 126.0806 53.6930 35.0305 174.0916 102 A 5.3443 9.5685 127.5530 50.4215 22.7420 174.9333 103 T 4.2844 8.5430 109.5258 59.7815 72.6295 174.1244 104 G 3.9547 6.2681 108.7377 45.4635 0.0000 171.3196 105 E 5.3679 8.6167 120.2813 54.9628 33.2693 174.8932 106 M 5.1855 9.9372 124.8737 54.1029 35.5538 174.3388 107 F 5.3658 8.3660 118.5202 56.1444 42.1844 172.3436 108 W 5.4973 9.4931 117.5432 53.3739 33.5206 175.4749 109 T 3.9960 8.7748 117.3873 65.7974 67.9567 174.8534 110 G 4.0272 9.2387 114.2748 45.7698 0.0000 173.0168 111 T 4.6042 8.1921 110.1271 59.1536 70.5659 172.7410 112 P 4.4280 0.0000 0.0000 62.5601 32.1027 176.1480 113 V 4.4227 7.7491 111.8121 61.3890 32.8213 175.4896 114 Y 4.8431 9.3910 120.4405 55.9830 41.5850 175.0447 115 K 4.8908 9.0356 125.8761 56.5854 33.7920 175.4406 116 F 5.5750 9.3108 121.3722 55.4210 42.0159 172.8462 117 C 5.1728 9.0906 114.4871 56.5188 32.8962 172.6655 118 Q 5.0399 9.4335 122.4812 54.6547 32.4943 173.5184 119 T 5.1617 8.9547 116.1555 59.9414 71.9488 172.9178 120 F 5.4085 9.4141 122.2430 55.7905 43.4748 173.8979 121 I 5.0184 8.6026 121.3114 59.5446 40.7046 174.3672 122 L 4.9957 8.9420 126.8207 52.7840 44.3800 174.9965 123 L 5.0703 8.9971 126.3533 52.4150 44.4451 173.8121 124 P 3.8704 0.0000 0.0000 63.2493 31.3813 176.5360 125 S 4.1048 8.8061 122.3044 61.2968 63.2280 175.7842 *129 S 4.3669 7.8717 112.7020 57.7177 64.7453 173.6125 130 T 4.6311 7.3419 110.3462 60.1844 71.5192 173.4285 131 F 5.2498 8.6900 118.7472 55.8390 42.8250 174.4095 132 D 5.2541 9.1317 121.7953 52.5214 43.7188 175.8152 133 I 4.3772 8.8296 124.8467 61.7990 37.5196 176.7092 134 T 4.4970 9.1194 117.9188 62.8191 70.8840 174.4729 135 N 5.5237 7.9946 118.6245 51.8944 43.7087 173.4347 136 D 4.7572 8.9693 122.4446 53.4708 44.8358 173.8049 137 I 4.9343 8.7356 127.6629 59.4276 40.4624 174.5253 138 I 4.7967 8.4072 127.1665 59.1729 40.3975 174.6923 139 R 4.5155 8.6697 127.8302 54.6466 33.1818 174.0645 140 F 5.0960 8.8620 124.8292 57.0245 40.4985 174.9944 141 I 4.6731 8.8036 123.6043 59.5566 38.9336 175.9590 142 S 4.8844 8.6532 121.1642 56.5458 64.0676 173.8495 143 N 4.5084 9.0575 119.6868 53.2800 38.8213 176.9543 144 S 3.6550 8.3000 117.0112 60.5636 63.1884 174.6272 145 F 4.7977 7.2863 122.9884 57.6312 39.3538 174.6254 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 T 8.02 4.37 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 1.22 0.00 0.00 5 V 8.07 3.19 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 0.70 0.00 0.00 -0.12 0.00 0.00 6 Q 8.44 3.49 0.00 2.20 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.94 0.00 0.00 0.00 0.00 0.00 2.47 2.69 0.00 7 D 7.93 4.37 0.00 2.94 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 8 I 7.70 3.66 1.79 0.00 0.00 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 1.55 0.76 0.59 0.00 0.00 9 C 7.95 4.01 0.00 2.97 2.96 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 10 F 8.37 4.03 0.00 3.23 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 11 A 8.38 3.97 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 12 F 8.34 3.89 0.00 2.91 3.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 L 7.69 3.28 0.00 1.87 1.60 0.71 0.79 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 14 Q 7.61 3.82 0.00 2.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.81 0.00 0.00 0.00 0.00 0.00 1.94 1.61 0.00 15 N 8.03 4.09 0.00 2.43 2.54 0.00 0.00 6.71 8.20 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 16 Y 7.52 3.58 0.00 1.58 2.14 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 17 Y 7.47 3.93 0.00 2.91 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 18 E 8.17 4.05 0.00 2.06 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 2.26 2.28 0.00 19 R 7.99 4.07 0.00 1.50 1.82 0.00 2.46 0.00 0.00 2.71 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.43 0.00 20 M 7.48 3.89 0.00 2.01 1.75 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.62 0.00 21 R 7.49 3.98 0.00 1.77 2.07 0.00 3.25 0.00 0.00 3.21 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.57 0.00 22 T 7.46 4.47 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 1.21 0.00 0.00 23 D 8.49 4.63 0.00 2.59 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 24 P 0.00 4.20 0.00 2.38 2.09 0.00 3.75 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.22 0.00 25 S 8.15 4.43 0.00 4.10 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 0.00 26 K 8.04 4.71 0.00 1.94 2.00 0.00 1.72 0.00 0.00 1.61 0.00 0.00 2.89 0.00 0.00 3.26 0.00 0.00 0.00 0.00 1.38 1.67 7.81 27 L 7.74 4.21 0.00 1.79 1.57 -0.26 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 28 A 8.28 4.37 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 29 Y 7.92 4.14 0.00 2.96 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 F 8.60 4.45 0.00 3.43 3.18 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 31 Y 7.87 5.08 0.00 3.17 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 32 A 8.87 4.27 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 33 S 8.86 4.19 0.00 4.02 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 34 T 7.65 4.69 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 1.22 0.00 0.00 35 A 7.94 4.51 1.57 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 0.00 0.00 36 E 9.14 5.04 0.00 1.89 1.84 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 2.24 2.37 0.00 37 L 9.07 5.19 0.00 1.55 1.40 1.21 0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 38 T 9.23 4.96 4.19 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 1.15 0.00 0.00 39 H 8.79 5.18 0.00 3.04 2.71 0.00 5.82 0.00 0.00 0.00 0.00 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 T 8.40 4.12 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 0.69 0.00 0.00 41 N 9.16 4.63 0.00 2.53 2.67 0.00 0.00 6.77 7.24 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 42 Y 8.11 4.30 0.00 3.04 2.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 Q 8.15 4.40 0.00 2.32 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.92 0.00 0.00 0.00 0.00 0.00 2.42 2.39 0.00 44 S 7.21 4.68 0.00 4.00 3.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *51 D 8.65 4.44 0.00 2.76 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 52 D 8.71 4.87 0.00 2.82 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 53 V 7.70 4.87 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 0.95 0.00 0.00 1.01 0.00 0.00 54 L 7.89 4.71 0.00 0.76 1.10 -0.44 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.25 0.00 0.00 0.00 0.00 0.00 0.00 55 P 0.00 4.70 0.00 2.09 2.15 0.00 3.48 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.91 0.00 56 T 8.41 5.32 4.28 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 1.35 0.00 0.00 57 V 8.68 4.49 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 0.51 0.00 0.00 0.84 0.00 0.00 58 K 8.49 4.78 0.00 1.59 1.70 0.00 1.65 0.00 0.00 1.59 0.00 0.00 2.70 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.33 1.37 7.81 59 V 8.98 4.37 1.75 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 0.74 0.00 0.00 0.39 0.00 0.00 60 T 8.66 4.87 4.20 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 1.23 0.00 0.00 61 G 9.36 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 R 8.77 3.78 0.00 2.03 1.86 0.00 2.35 0.00 0.00 3.30 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.60 0.00 63 E 8.11 3.90 0.00 2.02 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 2.38 2.38 0.00 64 N 8.04 4.40 0.00 2.87 2.81 0.00 0.00 7.08 7.38 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 65 I 7.84 3.49 1.79 0.00 0.00 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.53 0.44 0.00 0.00 66 N 8.51 4.42 0.00 2.67 2.94 0.00 0.00 6.86 6.30 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 67 K 8.13 3.91 0.00 1.99 1.99 0.00 1.70 0.00 0.00 1.58 0.00 0.00 2.90 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.46 1.46 7.81 68 F 8.08 4.03 0.00 2.87 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 69 F 8.16 4.42 0.00 3.22 3.13 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 70 S 8.71 4.22 0.00 3.90 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 R 8.06 4.05 0.00 1.90 1.85 0.00 3.23 0.00 0.00 3.22 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.55 0.00 72 N 7.28 4.88 0.00 2.34 2.22 0.00 0.00 6.44 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 73 D 7.88 4.28 0.00 2.89 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 74 A 7.76 3.91 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 75 K 7.68 3.88 0.00 1.51 1.23 0.00 1.42 0.00 0.00 1.49 0.00 0.00 2.47 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.55 0.86 7.81 76 V 7.94 3.70 2.23 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 0.97 0.00 0.00 1.07 0.00 0.00 77 R 8.36 4.21 0.00 1.96 1.96 0.00 3.16 0.00 0.00 3.10 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.59 0.00 78 S 7.92 4.57 0.00 4.15 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 79 L 7.36 3.81 0.00 1.83 1.58 1.13 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 80 K 8.34 4.53 0.00 0.79 0.97 0.00 1.23 0.00 0.00 1.41 0.00 0.00 2.87 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.04 1.10 7.81 81 L 7.93 4.96 0.00 1.69 1.22 0.36 -0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 82 K 9.26 4.47 0.00 1.90 1.80 0.00 1.65 0.00 0.00 1.61 0.00 0.00 2.98 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.51 1.40 7.81 83 L 8.55 4.62 0.00 1.70 1.61 0.97 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 84 D 9.29 4.86 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 85 T 7.59 4.88 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 1.19 0.00 0.00 86 I 8.24 5.42 2.02 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.77 1.11 0.00 0.00 87 D 8.72 5.08 0.00 2.52 2.40 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 0.00 88 F 7.69 5.46 0.00 2.86 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 89 Q 8.85 4.67 0.00 1.98 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.96 0.00 0.00 0.00 0.00 0.00 2.22 2.26 0.00 90 Y 8.46 4.86 0.00 2.72 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 91 T 9.23 4.33 4.28 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 1.25 0.00 0.00 92 G 8.68 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 93 H 8.76 4.33 0.00 3.19 3.24 0.00 5.85 0.00 0.00 0.00 0.00 6.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 L 9.18 3.37 0.00 1.68 1.63 0.82 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 95 H 8.03 4.25 0.00 3.20 3.26 0.00 5.92 0.00 0.00 0.00 0.00 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 K 7.92 4.35 0.00 1.95 1.86 0.00 1.70 0.00 0.00 1.56 0.00 0.00 2.91 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.42 1.49 7.81 97 S 8.05 4.98 0.00 4.05 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 98 I 8.58 4.75 1.43 0.00 0.00 0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.75 0.60 0.56 0.00 0.00 99 L 8.94 4.92 0.00 1.73 1.67 0.96 0.76 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 0.00 100 I 9.05 5.22 1.99 0.00 0.00 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.41 1.05 0.00 0.00 101 M 9.37 5.29 0.00 2.03 1.88 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.44 0.00 102 A 9.57 5.34 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.54 4.28 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 1.09 0.00 0.00 104 G 6.27 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 0.00 105 E 8.62 5.37 0.00 2.00 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 0.00 2.30 2.27 0.00 106 M 9.94 5.19 0.00 2.13 1.43 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.31 0.00 107 F 8.37 5.37 0.00 3.41 3.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 W 9.49 5.50 0.00 3.35 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 0.00 109 T 8.77 4.00 4.33 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 1.28 0.00 0.00 110 G 9.24 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 T 8.19 4.60 4.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 112 P 0.00 4.43 0.00 1.97 2.03 0.00 3.89 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.94 0.00 113 V 7.75 4.42 2.14 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 0.48 0.00 0.00 0.90 0.00 0.00 114 Y 9.39 4.84 0.00 3.13 3.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 K 9.04 4.89 0.00 1.98 2.03 0.00 1.51 0.00 0.00 2.00 0.00 0.00 3.02 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.53 1.52 7.81 116 F 9.31 5.57 0.00 2.84 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 0.00 117 C 9.09 5.17 0.00 2.89 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 0.00 118 Q 9.43 5.04 0.00 2.37 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.78 0.00 0.00 0.00 0.00 0.00 1.49 2.21 0.00 119 T 8.95 5.16 4.20 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 1.18 0.00 0.00 120 F 9.41 5.41 0.00 2.76 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 I 8.60 5.02 1.89 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 1.23 0.78 0.93 0.00 0.00 122 L 8.94 5.00 0.00 1.09 1.32 -0.08 -0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 123 L 9.00 5.07 0.00 1.78 1.57 0.98 0.86 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 0.00 124 P 0.00 3.87 0.00 1.82 1.57 0.00 3.78 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.26 0.00 125 S 8.81 4.10 0.00 3.74 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 *129 S 7.87 4.37 0.00 4.01 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 T 7.34 4.63 4.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 131 F 8.69 5.25 0.00 2.82 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 0.00 132 D 9.13 5.25 0.00 2.60 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 0.00 133 I 8.83 4.38 1.31 0.00 0.00 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.73 1.04 0.00 0.00 134 T 9.12 4.50 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 1.27 0.00 0.00 135 N 7.99 5.52 0.00 2.63 2.69 0.00 0.00 6.57 8.08 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 0.00 136 D 8.97 4.76 0.00 2.97 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 0.00 137 I 8.74 4.93 1.78 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 1.07 0.44 0.85 0.00 0.00 138 I 8.41 4.80 1.78 0.00 0.00 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.40 0.91 0.76 0.00 0.00 139 R 8.67 4.52 0.00 1.84 1.63 0.00 3.22 0.00 0.00 3.21 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.62 0.00 140 F 8.86 5.10 0.00 3.13 3.18 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 0.00 141 I 8.80 4.67 1.93 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 1.34 0.88 0.92 0.00 0.00 142 S 8.65 4.88 0.00 4.01 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 0.00 143 N 9.06 4.51 0.00 2.97 2.77 0.00 0.00 7.25 8.37 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 0.00 144 S 8.30 3.65 0.00 2.72 3.16 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 0.00 145 F 7.29 4.80 0.00 2.92 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 * Residues marked with a * may have inaccurate shift predictions.