NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 S 4.2925 8.1933 115.2898 58.4916 64.5722 174.9879 *5 T 4.2254 7.8439 116.1495 65.1726 70.5308 176.6732 6 Q 3.9930 8.0363 122.3214 60.2438 28.2090 180.0298 7 S 4.2825 8.5836 115.7711 61.4411 62.4766 176.3558 8 L 3.9977 7.8917 120.8657 57.8452 41.5191 179.2843 9 R 3.9162 8.2097 118.6858 59.4665 29.9337 178.5319 10 E 3.9621 8.0018 117.9578 59.3027 29.2854 179.1455 11 V 3.6037 7.4176 116.7994 66.3873 31.5689 177.8871 12 I 3.9854 7.6858 120.5817 64.6461 37.0111 178.8573 13 K 4.1786 7.7243 123.4544 59.2226 32.0997 182.8430 14 A 4.4159 8.0270 123.6368 51.9834 17.6862 179.6810 *16 T 4.1712 7.9989 122.2557 64.9452 70.5561 176.4887 17 K 4.5172 7.9229 119.7410 53.9840 32.4543 178.0469 18 A 4.3056 8.0034 124.4896 53.8560 19.1601 178.9516 19 R 4.4001 8.3908 117.2671 57.9152 31.1831 178.6928 20 N 4.7332 7.7641 116.0276 52.5615 39.1061 174.6562 21 F 4.0736 8.8998 120.2088 61.7260 39.4394 176.9988 22 E 4.0858 8.2863 118.3549 58.6966 29.2692 179.2863 23 R 3.9537 7.6945 116.6273 59.0634 29.2250 178.9361 24 V 3.6806 7.4037 111.8531 62.9121 31.6328 176.6214 25 L 4.5639 7.5210 118.1628 54.1623 41.9311 178.3091 26 G 3.7316 7.8749 110.4206 48.7214 0.0000 175.3251 27 K 4.2108 7.9257 116.7209 57.1714 32.4950 177.3018 28 I 4.1148 7.4540 113.4644 60.8403 38.3558 175.0845 29 T 4.6196 8.5643 117.3952 60.1006 70.2474 172.4909 30 L 4.3865 8.5375 130.5775 55.0907 42.2366 176.0775 31 V 4.1400 8.4964 126.5636 64.6061 33.1044 176.0158 32 S 4.6726 7.4227 110.5441 57.3251 65.4561 174.3766 33 A 5.2399 8.5146 127.1019 50.4760 22.0950 174.8199 34 A 4.2918 8.7573 121.7749 50.3351 22.5830 173.3612 35 P 4.5897 0.0000 0.0000 63.8833 31.2108 176.6765 36 G 3.9333 9.2089 111.2045 45.4268 0.0000 171.6841 37 K 4.9889 8.6098 121.7536 54.8275 35.6221 174.9980 38 V 4.8852 8.6226 127.5519 61.0966 34.7421 174.1620 39 I 5.0850 8.8642 127.7906 59.8612 40.4651 174.3917 40 C 5.3843 9.2632 123.9373 58.1186 32.8348 172.4068 41 E 5.2535 8.7848 118.6022 53.5318 33.9944 174.3947 *43 K 4.3332 8.4509 120.1910 56.5159 33.3039 175.7555 44 V 3.7939 8.8306 127.8683 62.8034 31.9715 175.0640 45 E 4.9613 8.8548 125.9629 53.9558 32.4395 176.3098 46 E 4.0102 8.7299 120.7060 59.5012 29.5190 178.3743 47 E 4.1529 7.9967 114.0814 57.9502 29.9858 176.6283 48 H 4.8063 8.5947 116.9238 55.7928 29.8210 174.4000 49 T 4.8902 7.5206 110.2512 60.5864 70.3559 173.6896 50 N 4.9328 8.4803 119.6642 51.1496 39.6260 175.4632 51 A 4.0906 8.4455 119.7774 55.2836 18.5093 179.0211 52 I 3.8434 7.8291 115.9532 62.8118 37.3894 177.1099 53 G 4.0478 8.7772 109.0623 45.1045 0.0000 172.5121 54 T 5.0082 7.8164 108.3732 58.5757 72.9516 172.4691 55 L 4.2873 9.0244 124.3701 56.0768 42.6148 176.3505 56 H 4.2049 9.4407 127.5866 55.9760 30.4948 176.5550 57 G 3.8596 8.8101 112.3388 47.8351 0.0000 175.9452 58 G 3.8106 8.3465 107.5766 47.5383 0.0000 175.5856 59 L 4.0737 7.9883 122.2372 58.1789 42.1822 178.8975 60 T 3.8736 8.1597 115.5756 66.6941 68.3733 176.2878 61 A 4.0163 8.1468 122.5545 55.6291 18.3931 179.8507 62 T 3.9121 8.1855 114.2653 66.7822 68.5183 176.9718 63 L 4.0221 8.5575 121.3560 57.5664 41.5813 179.7395 64 V 3.4911 7.8876 118.2954 66.0392 31.5879 177.2578 65 D 4.1102 8.2379 117.8965 57.5863 40.8212 178.1126 66 N 4.3240 7.9536 115.4723 56.5874 38.7957 177.5512 67 I 3.8820 7.5392 119.2553 63.7242 37.2409 178.2907 68 S 4.3013 8.0542 114.6962 61.4392 62.3423 177.9667 69 T 4.0852 7.7034 118.4743 63.4221 67.9077 176.1407 *71 A 4.2639 8.0762 125.6736 52.1350 20.6447 179.6999 72 L 4.0236 7.5644 116.6317 58.1127 42.3536 178.8481 73 L 4.2128 8.1407 119.1734 57.3836 41.4450 177.7719 74 C 4.3550 7.7953 115.5388 59.5979 28.9925 173.0616 75 T 4.8540 7.0458 117.1731 61.4990 70.4731 175.6195 76 E 3.9695 8.7812 122.9973 59.6245 29.6470 178.8193 77 R 3.9981 8.1399 117.9907 56.7444 30.5097 176.7347 78 G 4.0040 7.8160 104.2849 45.9693 0.0000 172.3531 79 A 4.4680 7.3588 120.6023 49.8555 19.7799 176.8935 80 P 4.1770 0.0000 0.0000 64.4319 31.6963 177.8064 81 G 3.9713 8.0318 106.5209 44.2818 0.0000 172.2767 82 V 4.5264 8.3322 118.0281 59.2750 34.2354 175.5934 83 S 4.2453 8.8150 119.4430 59.6306 62.7705 173.4001 84 V 4.2178 8.7486 123.7749 64.2551 33.3181 174.6975 85 D 4.7602 7.5232 117.2893 52.7468 46.1387 173.3267 *87 N 4.8120 8.5053 116.5105 53.9272 40.3432 173.0732 88 I 4.9106 8.2328 124.7763 59.9006 41.3963 174.4180 89 T 4.5533 8.6635 123.4392 62.0573 70.7290 173.2921 90 Y 4.8833 8.6569 123.9709 56.4430 40.6101 175.2437 *92 S 4.3362 8.3099 114.9917 57.6107 64.7428 171.5827 93 P 4.6577 0.0000 0.0000 62.6857 32.4069 175.9579 94 A 4.8888 8.6232 126.2549 50.8174 21.0442 176.8058 95 K 4.5490 9.0804 125.3742 54.8518 33.6347 173.7190 96 L 4.1436 7.6551 121.6649 57.7762 42.2552 177.6592 97 G 4.0126 9.0787 114.9165 45.1384 0.0000 173.2878 98 E 4.1746 8.0472 121.7621 56.2176 31.0561 175.1960 99 D 5.1953 8.7121 126.4645 53.1681 42.8312 175.5372 100 I 4.9940 8.3114 115.6421 59.0504 41.6149 174.1548 101 V 4.5843 8.6395 122.0313 61.1468 34.6636 174.0682 102 I 4.8156 9.0263 128.7300 59.9856 39.6872 174.6164 103 T 4.9831 8.8906 124.5254 61.7058 71.1102 173.0869 104 A 5.1751 9.0836 129.1904 50.4464 21.8401 174.9362 105 H 5.2794 9.2289 118.8178 53.8969 32.7173 172.9626 106 V 4.2374 8.4810 123.3588 62.3346 31.3489 175.7168 107 L 4.3472 9.2297 129.2499 56.8451 42.7100 177.5191 108 K 4.4909 7.7288 116.3541 56.0452 35.3963 174.0709 109 Q 4.9483 8.9372 124.4798 54.8440 31.8670 174.4175 110 G 4.1925 8.7253 117.7410 45.5003 0.0000 175.0162 111 K 4.1723 8.9129 121.7048 57.1844 31.7753 174.9068 112 T 4.4521 7.8808 108.2243 60.8856 70.9732 173.2906 113 L 4.8165 7.7236 121.5574 52.5588 44.6660 175.2691 114 A 4.9643 8.6948 124.8820 49.9716 22.3011 174.8793 115 F 5.4323 9.5467 120.5150 55.8792 42.3567 174.6457 116 T 5.2394 9.2056 113.0819 60.0260 72.8107 172.5494 117 S 5.1134 9.0542 115.5034 56.7454 66.5310 172.8018 118 V 4.9166 9.0529 125.2658 61.4884 34.9385 173.3449 119 D 5.3434 9.1247 127.8968 52.5988 43.4875 175.1163 120 L 5.1536 8.6783 123.8374 53.4750 43.5753 175.7915 121 T 5.0996 8.7718 113.6859 59.5275 72.9245 172.5657 122 N 4.6432 9.0952 122.7508 53.3777 39.4446 175.1761 123 K 3.8547 8.8841 128.6318 60.0180 32.0961 177.9904 124 A 4.1447 8.2587 121.4860 55.1987 18.4378 178.5595 125 T 4.1089 8.1300 103.8874 61.8640 69.6809 176.0859 126 G 3.9461 8.8168 109.3720 44.8369 0.0000 173.5031 127 K 4.2087 7.9302 120.1018 55.8117 33.2570 176.3708 128 L 4.2620 8.5320 126.5164 55.8162 42.2096 176.0895 129 I 4.3767 9.3096 127.1171 62.1878 38.6680 175.4774 130 A 4.6605 7.5170 120.6440 51.3073 22.8752 174.7144 131 Q 4.8130 8.7844 119.9657 54.6969 32.8215 173.7807 132 G 4.4182 9.3271 113.4754 44.5838 0.0000 171.7021 133 R 5.2642 8.7588 122.1143 54.5407 33.0321 175.3474 134 H 5.0724 9.2145 121.6349 55.1759 33.5300 171.8681 135 T 4.8205 9.1017 123.3373 61.8957 70.4871 173.8970 136 K 4.8898 8.8635 125.8707 54.6983 36.3108 174.4578 137 H 5.1314 9.2744 123.3509 54.7336 31.6458 174.8589 138 L 4.2785 9.3158 125.5720 54.8445 41.2583 176.5365 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 3 S 8.19 4.29 0.00 3.87 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 *5 T 7.84 4.23 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 1.21 0.00 0.00 6 Q 8.04 3.99 0.00 2.06 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.86 0.00 0.00 0.00 0.00 0.00 2.37 1.99 0.00 7 S 8.58 4.28 0.00 3.83 3.94 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 8 L 7.89 4.00 0.00 1.85 1.70 0.92 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 9 R 8.21 3.92 0.00 2.04 2.04 0.00 3.09 0.00 0.00 3.16 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.68 0.00 10 E 8.00 3.96 0.00 2.23 1.97 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 2.52 2.45 0.00 11 V 7.42 3.60 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 0.83 0.00 0.00 0.97 0.00 0.00 12 I 7.69 3.99 1.99 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 1.38 0.76 0.94 0.00 0.00 13 K 7.72 4.18 0.00 1.89 1.73 0.00 1.81 0.00 0.00 1.71 0.00 0.00 2.97 0.00 0.00 2.71 0.00 0.00 0.00 0.00 1.39 1.33 7.81 14 A 8.03 4.42 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 *16 T 8.00 4.17 4.48 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 0.00 0.00 0.00 1.20 0.00 0.00 17 K 7.92 4.52 0.00 1.76 1.63 0.00 1.81 0.00 0.00 1.71 0.00 0.00 2.89 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.28 1.21 7.81 18 A 8.00 4.31 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 19 R 8.39 4.40 0.00 1.83 1.82 0.00 3.28 0.00 0.00 3.28 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.15 0.00 20 N 7.76 4.73 0.00 3.06 3.08 0.00 0.00 5.83 8.12 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 21 F 8.90 4.07 0.00 3.14 3.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 E 8.29 4.09 0.00 2.04 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 2.42 2.63 0.00 23 R 7.69 3.95 0.00 1.93 2.28 0.00 2.73 0.00 0.00 3.31 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.55 0.00 24 V 7.40 3.68 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 0.25 0.00 0.00 0.54 0.00 0.00 25 L 7.52 4.56 0.00 1.80 1.62 0.93 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 26 G 7.87 3.73 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 0.00 0.00 0.00 0.00 0.00 0.00 27 K 7.93 4.21 0.00 1.80 1.90 0.00 1.78 0.00 0.00 1.76 0.00 0.00 3.04 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.47 1.43 7.81 28 I 7.45 4.11 1.85 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 1.43 0.51 0.91 0.00 0.00 29 T 8.56 4.62 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 1.26 0.00 0.00 30 L 8.54 4.39 0.00 1.67 1.55 0.91 0.91 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 31 V 8.50 4.14 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.00 0.00 0.99 0.00 0.00 32 S 7.42 4.67 0.00 3.88 3.60 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.51 5.24 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 34 A 8.76 4.29 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 35 P 0.00 4.59 0.00 2.06 2.10 0.00 3.79 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 2.04 2.12 0.00 36 G 9.21 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 0.00 0.00 0.00 37 K 8.61 4.99 0.00 1.75 1.61 0.00 1.62 0.00 0.00 1.58 0.00 0.00 2.77 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.27 1.35 7.81 38 V 8.62 4.89 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 0.88 0.00 0.00 0.96 0.00 0.00 39 I 8.86 5.09 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 1.19 0.67 0.90 0.00 0.00 40 C 9.26 5.38 0.00 2.79 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 41 E 8.78 5.25 0.00 1.83 1.81 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 2.36 2.06 0.00 *43 K 8.45 4.33 0.00 1.80 1.77 0.00 1.78 0.00 0.00 1.64 0.00 0.00 2.73 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.33 1.68 7.81 44 V 8.83 3.79 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 1.04 0.00 0.00 1.01 0.00 0.00 45 E 8.85 4.96 0.00 1.83 1.76 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 2.56 2.22 0.00 46 E 8.73 4.01 0.00 2.02 1.93 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 2.37 2.36 0.00 47 E 8.00 4.15 0.00 2.01 1.95 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 1.87 1.92 0.00 48 H 8.59 4.81 0.00 3.27 3.32 0.00 5.62 0.00 0.00 0.00 0.00 6.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 T 7.52 4.89 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 1.31 0.00 0.00 50 N 8.48 4.93 0.00 2.97 3.02 0.00 0.00 7.29 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 51 A 8.45 4.09 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 I 7.83 3.84 2.02 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 1.22 0.83 0.90 0.00 0.00 53 G 8.78 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 54 T 7.82 5.01 4.35 0.00 0.00 0.00 0.00 0.00 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 55 L 9.02 4.29 0.00 1.75 1.72 0.99 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 56 H 9.44 4.20 0.00 3.38 3.20 0.00 5.85 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 57 G 8.81 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 58 G 8.35 3.81 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 0.00 0.00 0.00 59 L 7.99 4.07 0.00 1.84 1.96 0.92 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 60 T 8.16 3.87 4.66 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 1.18 0.00 0.00 61 A 8.15 4.02 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 62 T 8.19 3.91 4.52 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 1.34 0.00 0.00 63 L 8.56 4.02 0.00 1.83 1.71 0.91 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 64 V 7.89 3.49 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 0.93 0.00 0.00 0.93 0.00 0.00 65 D 8.24 4.11 0.00 2.84 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 66 N 7.95 4.32 0.00 2.90 2.88 0.00 0.00 7.20 7.52 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 67 I 7.54 3.88 1.99 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 1.40 0.54 0.90 0.00 0.00 68 S 8.05 4.30 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 69 T 7.70 4.09 4.47 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 1.22 0.00 0.00 *71 A 8.08 4.26 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 72 L 7.56 4.02 0.00 1.70 1.70 0.92 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 73 L 8.14 4.21 0.00 1.74 1.70 0.92 0.83 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 74 C 7.80 4.35 0.00 3.12 3.04 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 75 T 7.05 4.85 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 1.34 0.00 0.00 76 E 8.78 3.97 0.00 1.95 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 2.32 2.26 0.00 77 R 8.14 4.00 0.00 1.84 1.90 0.00 3.31 0.00 0.00 3.32 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.61 0.00 78 G 7.82 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.36 4.47 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 80 P 0.00 4.18 0.00 2.19 2.19 0.00 3.85 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 81 G 8.03 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 0.00 0.00 0.00 82 V 8.33 4.53 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 0.88 0.00 0.00 0.93 0.00 0.00 83 S 8.82 4.25 0.00 3.81 3.94 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 84 V 8.75 4.22 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.74 0.00 0.00 0.93 0.00 0.00 85 D 7.52 4.76 0.00 2.61 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 *87 N 8.51 4.81 0.00 2.82 2.74 0.00 0.00 6.63 7.74 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 88 I 8.23 4.91 1.74 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 1.22 0.72 0.02 0.00 0.00 89 T 8.66 4.55 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 1.21 0.00 0.00 90 Y 8.66 4.88 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 *92 S 8.31 4.34 0.00 3.94 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 93 P 0.00 4.66 0.00 1.97 2.03 0.00 3.64 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 2.03 2.10 0.00 94 A 8.62 4.89 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 95 K 9.08 4.55 0.00 1.47 1.70 0.00 1.83 0.00 0.00 1.57 0.00 0.00 2.74 0.00 0.00 2.66 0.00 0.00 0.00 0.00 1.37 1.26 7.81 96 L 7.66 4.14 0.00 1.68 1.63 1.01 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 97 G 9.08 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 E 8.05 4.17 0.00 2.19 1.90 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 2.31 2.30 0.00 99 D 8.71 5.20 0.00 2.64 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 0.00 100 I 8.31 4.99 1.87 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 1.21 1.22 0.92 0.00 0.00 101 V 8.64 4.58 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 1.08 0.00 0.00 0.93 0.00 0.00 102 I 9.03 4.82 1.86 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.52 0.90 0.00 0.00 103 T 8.89 4.98 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 1.12 0.00 0.00 104 A 9.08 5.18 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 0.00 105 H 9.23 5.28 0.00 3.04 3.15 0.00 5.61 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 V 8.48 4.24 2.12 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 0.78 0.00 0.00 0.99 0.00 0.00 107 L 9.23 4.35 0.00 1.70 1.72 0.95 1.09 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 0.00 108 K 7.73 4.49 0.00 1.87 1.69 0.00 1.64 0.00 0.00 1.90 0.00 0.00 2.99 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.33 1.57 7.81 109 Q 8.94 4.95 0.00 2.12 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.51 0.00 0.00 0.00 0.00 0.00 2.24 2.36 0.00 110 G 8.73 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 0.00 0.00 0.00 0.00 111 K 8.91 4.17 0.00 1.79 1.74 0.00 1.76 0.00 0.00 1.76 0.00 0.00 3.01 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.36 1.00 7.81 112 T 7.88 4.45 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 1.19 0.00 0.00 113 L 7.72 4.82 0.00 1.49 1.02 1.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 114 A 8.69 4.96 1.06 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 0.00 115 F 9.55 5.43 0.00 2.97 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 0.00 116 T 9.21 5.24 4.37 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 1.25 0.00 0.00 117 S 9.05 5.11 0.00 3.89 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 0.00 118 V 9.05 4.92 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 1.04 0.00 0.00 0.94 0.00 0.00 119 D 9.12 5.34 0.00 2.69 2.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 L 8.68 5.15 0.00 1.63 1.58 0.92 0.27 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 0.00 121 T 8.77 5.10 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 1.21 0.00 0.00 122 N 9.10 4.64 0.00 2.77 2.74 0.00 0.00 7.06 6.33 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 0.00 123 K 8.88 3.85 0.00 1.87 1.91 0.00 1.99 0.00 0.00 1.71 0.00 0.00 2.91 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.46 1.42 7.81 124 A 8.26 4.14 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 0.00 125 T 8.13 4.11 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 1.21 0.00 0.00 126 G 8.82 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 0.00 127 K 7.93 4.21 0.00 1.71 1.74 0.00 1.69 0.00 0.00 1.58 0.00 0.00 2.82 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.46 1.54 7.81 128 L 8.53 4.26 0.00 1.64 1.57 0.92 1.01 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 0.00 129 I 9.31 4.38 1.94 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 1.13 1.15 nan 0.00 0.00 130 A 7.52 4.66 1.06 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 0.00 131 Q 8.78 4.81 0.00 2.07 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.69 0.00 0.00 0.00 0.00 0.00 2.22 2.47 0.00 132 G 9.33 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 0.00 133 R 8.76 5.26 0.00 1.69 1.89 0.00 3.18 0.00 0.00 3.15 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.59 0.00 134 H 9.21 5.07 0.00 3.18 3.12 0.00 5.75 0.00 0.00 0.00 0.00 6.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 135 T 9.10 4.82 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 0.99 0.00 0.00 136 K 8.86 4.89 0.00 1.47 1.56 0.00 1.67 0.00 0.00 1.62 0.00 0.00 2.84 0.00 0.00 2.96 0.00 0.00 0.00 0.00 0.97 1.12 7.81 137 H 9.27 5.13 0.00 3.13 3.13 0.00 5.76 0.00 0.00 0.00 0.00 6.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 138 L 9.32 4.28 0.00 1.47 1.48 0.86 0.75 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 * Residues marked with a * may have inaccurate shift predictions.