NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 G 3.8869 8.1132 109.1135 44.9205 0.0000 174.5881 3 F 4.0715 8.5524 119.1058 59.5902 38.7500 175.0841 4 L 4.6660 8.6438 118.8422 54.5163 43.5454 177.5792 5 D 4.4668 8.1447 119.8144 57.4249 41.3069 178.7410 6 A 4.0278 8.1493 121.4548 55.3381 18.6255 181.1172 7 L 3.8584 7.4021 117.3164 55.2553 41.3166 179.2145 *9 G 3.8920 8.2872 107.3752 45.2001 0.0000 175.8021 10 N 4.3402 8.1705 117.6115 55.8097 38.7789 177.3639 11 A 4.0548 8.2870 121.0883 54.3890 18.6041 178.2312 12 S 4.7608 7.6529 108.3699 57.8772 63.3912 173.5086 13 E 4.1145 7.6999 121.4560 56.4062 29.9173 176.2377 14 V 4.3544 7.8361 123.5759 60.6341 34.6320 174.5728 15 D 4.4476 8.6351 125.5301 54.0551 40.8913 175.9351 16 L 4.1328 8.6113 128.4157 57.7478 42.1196 180.0576 17 G 3.6955 8.1463 104.0950 46.4441 0.0000 174.7406 *19 L 4.1678 8.0219 123.4094 54.7072 44.0248 178.7838 20 A 4.0193 8.5134 120.4661 55.0635 18.0091 179.3855 21 A 3.9508 7.7548 118.2425 55.4930 18.5349 179.4111 22 E 4.1082 8.0247 115.3715 59.1505 30.0537 178.7199 23 L 4.2057 8.5222 118.8604 56.4084 41.9498 178.9709 24 S 4.0970 8.1175 114.9664 61.2660 62.3686 174.8563 25 P 4.3522 0.0000 0.0000 64.1222 31.0924 176.7761 26 I 4.3001 7.5539 108.9362 60.2472 38.0756 175.3209 27 L 4.6113 7.4410 121.0978 53.2038 43.1136 176.9052 28 G 3.8130 8.9247 111.1525 45.6010 0.0000 174.7374 29 D 4.4249 8.6147 120.7928 56.6858 41.0317 176.8084 30 N 4.9146 7.9764 115.2359 53.2430 39.0814 173.8632 31 E 4.9289 7.9110 118.6164 54.2637 32.3876 174.7649 32 E 4.8767 8.7460 123.0895 54.2963 33.2359 174.9793 33 L 4.5481 8.6251 121.7210 55.3381 42.0709 176.1983 34 Q 4.6614 9.3511 121.2545 57.2027 31.4198 175.8499 35 L 4.9255 7.9523 115.8688 53.5271 46.6049 174.8940 36 A 5.3565 8.2341 121.0934 51.3570 22.4276 175.5081 37 Y 5.2447 9.0624 118.2358 56.1416 41.7770 175.8957 *40 V 4.0465 8.6302 112.0967 61.9713 33.3503 176.6485 41 R 4.6846 7.9209 110.2684 55.3893 30.4294 174.1973 42 D 4.8518 7.8794 116.6624 52.8433 45.2471 174.3133 43 L 4.7926 8.8027 124.8689 53.6518 44.0738 175.0494 44 F 4.6411 9.6122 126.7817 56.2399 40.6699 175.1974 45 V 4.5496 8.4772 125.3292 61.1942 33.4643 174.6944 46 F 4.9219 9.8816 129.2372 56.0759 39.8841 176.1383 47 T 4.8441 8.5702 115.9290 59.5556 71.0205 175.5563 48 S 4.6000 8.5666 112.1806 59.5286 62.4752 173.9530 *50 R 3.0994 7.6641 117.2065 55.8814 31.2384 173.7534 51 L 4.3006 7.4798 122.1329 54.3548 43.5021 175.2870 52 I 4.5830 8.4695 128.0405 59.6518 39.2131 174.3635 53 L 4.5057 8.7817 131.0744 53.5167 43.6156 175.0572 54 I 5.3268 8.6887 128.0017 57.7991 40.1220 172.9311 55 D 4.7397 8.1245 129.2716 53.4426 45.6289 178.5929 *57 Q 4.0418 8.9593 120.7535 55.4530 29.8868 174.4049 58 G 4.0579 8.4480 103.0108 45.5527 0.0000 174.9385 59 V 3.6519 8.2170 112.7288 63.8099 31.6063 177.5847 60 T 4.3757 7.6491 107.0418 60.3582 69.0181 169.9578 61 G 3.7223 7.8389 118.8834 44.4400 0.0000 173.9405 *64 V 3.8415 8.1641 124.0437 62.6532 32.7679 174.1908 65 S 4.6289 8.8875 122.7925 56.8777 64.4448 172.2722 66 Y 4.7622 8.7594 125.1660 56.6703 38.9241 173.9887 67 H 4.7493 9.1341 125.6745 54.5868 31.4808 173.7132 68 S 4.8508 8.6768 123.0206 57.7542 63.9785 174.3024 69 I 4.2820 8.8208 126.9748 58.2657 38.6795 173.0942 70 P 4.3123 0.0000 0.0000 61.8842 32.3798 178.1439 71 Y 4.4621 7.9871 122.4190 57.7649 36.8284 177.6018 *73 A 4.3589 7.9406 121.9714 51.5809 20.7828 176.8736 74 I 4.6198 7.8550 117.5966 60.5858 37.2939 175.9633 75 V 4.0138 9.3011 126.9127 65.2976 32.0393 175.1172 76 H 5.1890 8.0497 112.9517 55.1620 31.7630 171.8759 77 F 5.6888 8.2222 112.1032 56.2308 40.4331 173.2889 78 Q 4.7541 8.9689 120.2310 54.6818 32.8144 173.3708 79 V 4.8024 8.5572 124.4467 61.1545 34.5501 174.0983 80 E 4.8047 9.1237 127.4257 54.2018 33.4402 174.6123 81 T 4.4137 8.7936 121.3717 64.7916 68.9886 172.8888 82 A 4.6438 8.6543 126.6413 50.9068 23.1815 175.7688 83 G 4.0010 8.7930 104.7585 46.1445 0.0000 174.8868 84 T 3.6697 8.1548 118.0415 66.3808 68.4192 175.2809 85 F 4.7465 7.6044 116.3761 57.1910 39.4568 174.1081 86 D 4.3062 7.7722 123.0843 54.5768 37.7840 172.7464 *88 D 4.6849 7.6079 121.0531 54.0443 43.3374 173.5579 89 A 5.2084 8.6375 118.7829 50.9900 23.4495 175.1128 90 E 4.7867 9.3597 120.2333 54.5606 32.6243 175.4893 91 L 5.3891 8.1572 129.0566 52.8862 45.7146 174.0203 *93 L 4.3624 8.1889 117.6228 54.5951 43.3870 176.2171 94 W 4.8120 9.1732 124.8628 55.6559 30.6114 175.5340 95 I 4.8772 8.3331 125.9330 59.3165 38.9918 175.3947 96 S 4.1773 8.8267 121.1246 60.5210 62.4296 174.8342 97 G 4.0277 9.2909 115.9414 45.0456 0.0000 172.7307 98 Q 4.6850 7.9071 119.0706 54.2000 30.4735 175.5738 99 H 4.6013 8.9751 118.8967 57.3686 29.3239 175.2302 100 E 4.6588 7.7530 119.3787 54.0290 30.9345 173.7859 101 P 4.1562 0.0000 0.0000 62.0514 32.5582 175.7334 102 L 4.1037 8.1972 122.2757 54.8064 41.9697 176.7540 103 V 4.8113 8.0408 122.6132 60.0597 34.6882 174.0450 *105 E 4.2501 8.4833 123.6740 56.3779 30.5823 174.6152 106 L 4.9539 8.3138 126.4138 52.9087 45.7959 174.8436 *108 R 4.1521 8.5237 118.5653 58.2516 30.2734 175.8746 109 G 4.1105 9.1829 113.6156 45.7376 0.0000 173.6738 110 T 4.4956 7.4474 108.4762 59.9718 71.5579 175.4995 111 D 4.6961 8.4770 121.0318 53.6476 37.5842 176.3929 112 V 3.5463 7.5488 123.4721 65.7411 32.0533 177.4068 113 V 3.7309 7.7532 110.8035 64.2832 31.5331 178.3002 114 G 3.7943 8.0780 104.6212 47.8837 0.0000 175.3501 115 I 2.9938 7.6012 121.0759 63.1824 37.7497 178.1223 116 Q 4.0811 7.3964 116.4930 56.7092 28.3074 178.1954 *118 T 4.0635 7.8585 118.7810 63.7349 70.6316 176.4512 119 I 3.6049 7.5854 121.6584 64.2191 36.9819 178.1804 120 A 4.1173 7.8058 121.5197 55.2636 17.9855 179.5226 121 R 3.6493 7.7312 115.2199 59.9194 30.1968 177.7961 122 Y 3.9227 7.5015 114.6245 60.4611 37.9584 177.4479 123 A 4.3237 8.2073 121.2307 54.3010 18.8046 178.2431 124 L 4.2710 7.9049 115.3356 55.5883 42.7255 177.0131 *125 G 3.7274 7.9586 112.0668 45.6842 0.0000 172.5750 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 2 G 8.11 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 0.00 0.00 0.00 3 F 8.55 4.07 0.00 3.18 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 4 L 8.64 4.67 0.00 1.72 1.71 0.96 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 5 D 8.14 4.47 0.00 2.68 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 6 A 8.15 4.03 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 7 L 7.40 3.86 0.00 1.85 1.67 0.94 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 *9 G 8.29 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 0.00 0.00 0.00 10 N 8.17 4.34 0.00 2.97 2.89 0.00 0.00 6.94 8.04 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 11 A 8.29 4.05 1.34 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 0.00 0.00 0.00 12 S 7.65 4.76 0.00 3.96 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 13 E 7.70 4.11 0.00 2.14 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 2.30 2.20 0.00 14 V 7.84 4.35 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 0.88 0.00 0.00 0.96 0.00 0.00 15 D 8.64 4.45 0.00 2.68 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 16 L 8.61 4.13 0.00 1.76 1.72 0.97 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 17 G 8.15 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *19 L 8.02 4.17 0.00 1.93 1.89 0.96 1.13 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 20 A 8.51 4.02 1.35 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 0.00 0.00 0.00 21 A 7.75 3.95 1.34 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 0.00 0.00 0.00 22 E 8.02 4.11 0.00 1.97 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 2.40 0.00 23 L 8.52 4.21 0.00 1.70 1.69 0.96 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 24 S 8.12 4.10 0.00 4.04 4.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 P 0.00 4.35 0.00 1.97 2.12 0.00 3.70 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 1.98 2.11 0.00 26 I 7.55 4.30 1.76 0.00 0.00 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.55 0.76 0.00 0.00 27 L 7.44 4.61 0.00 1.68 1.62 0.92 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 28 G 8.92 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 29 D 8.61 4.42 0.00 2.68 2.75 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 30 N 7.98 4.91 0.00 2.72 2.84 0.00 0.00 6.61 7.66 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 31 E 7.91 4.93 0.00 1.93 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 2.21 2.23 0.00 32 E 8.75 4.88 0.00 2.10 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 2.23 2.32 0.00 33 L 8.63 4.55 0.00 1.60 1.69 1.01 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 34 Q 9.35 4.66 0.00 2.23 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.68 6.67 0.00 0.00 0.00 0.00 0.00 2.38 2.60 0.00 35 L 7.95 4.93 0.00 1.80 1.53 0.99 0.78 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 36 A 8.23 5.36 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 37 Y 9.06 5.24 0.00 3.01 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 *40 V 8.63 4.05 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 0.76 0.00 0.00 1.08 0.00 0.00 41 R 7.92 4.68 0.00 1.83 1.94 0.00 2.96 0.00 0.00 3.20 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.59 0.00 42 D 7.88 4.85 0.00 2.41 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 0.00 0.00 0.00 0.00 43 L 8.80 4.79 0.00 1.71 1.45 1.06 0.84 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 44 F 9.61 4.64 0.00 3.20 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 45 V 8.48 4.55 2.13 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 1.09 0.00 0.00 0.94 0.00 0.00 46 F 9.88 4.92 0.00 3.26 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 47 T 8.57 4.84 4.38 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 1.27 0.00 0.00 48 S 8.57 4.60 0.00 4.14 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 *50 R 7.66 3.10 0.00 1.69 1.86 0.00 2.84 0.00 0.00 3.16 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.45 0.00 51 L 7.48 4.30 0.00 1.60 1.46 0.26 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 52 I 8.47 4.58 1.81 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 1.03 0.44 0.95 0.00 0.00 53 L 8.78 4.51 0.00 1.41 1.30 -0.40 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 54 I 8.69 5.33 1.69 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 0.75 0.89 0.43 0.00 0.00 55 D 8.12 4.74 0.00 2.69 1.74 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 *57 Q 8.96 4.04 0.00 2.11 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 5.46 0.00 0.00 0.00 0.00 0.00 2.28 2.35 0.00 58 G 8.45 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 59 V 8.22 3.65 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 0.74 0.00 0.00 0.92 0.00 0.00 60 T 7.65 4.38 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 61 G 7.84 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 0.00 0.00 0.00 *64 V 8.16 3.84 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 0.30 0.00 0.00 0.88 0.00 0.00 65 S 8.89 4.63 0.00 3.79 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 66 Y 8.76 4.76 0.00 2.78 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 67 H 9.13 4.75 0.00 3.09 3.16 0.00 5.59 0.00 0.00 0.00 0.00 6.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 S 8.68 4.85 0.00 3.77 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 69 I 8.82 4.28 1.68 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 0.96 0.73 0.85 0.00 0.00 70 P 0.00 4.31 0.00 1.90 1.95 0.00 3.63 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 2.00 2.05 0.00 71 Y 7.99 4.46 0.00 3.15 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 *73 A 7.94 4.36 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 74 I 7.86 4.62 2.16 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.71 1.13 0.00 0.00 75 V 9.30 4.01 2.30 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 0.86 0.00 0.00 1.12 0.00 0.00 76 H 8.05 5.19 0.00 3.13 3.27 0.00 5.55 0.00 0.00 0.00 0.00 6.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 F 8.22 5.69 0.00 3.11 3.12 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 78 Q 8.97 4.75 0.00 2.49 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.90 0.00 0.00 0.00 0.00 0.00 2.44 2.46 0.00 79 V 8.56 4.80 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 0.87 0.00 0.00 1.02 0.00 0.00 80 E 9.12 4.80 0.00 2.07 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 2.21 2.29 0.00 81 T 8.79 4.41 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 82 A 8.65 4.64 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 83 G 8.79 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 84 T 8.15 3.67 3.36 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 1.03 0.00 0.00 85 F 7.60 4.75 0.00 3.06 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 86 D 7.77 4.31 0.00 2.89 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 *88 D 7.61 4.68 0.00 2.75 2.89 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 89 A 8.64 5.21 1.19 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 90 E 9.36 4.79 0.00 1.96 1.77 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 2.16 2.19 0.00 91 L 8.16 5.39 0.00 1.80 1.58 1.03 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 *93 L 8.19 4.36 0.00 1.62 1.66 0.99 0.90 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 94 W 9.17 4.81 0.00 3.31 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 95 I 8.33 4.88 1.92 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 1.23 0.89 1.00 0.00 0.00 96 S 8.83 4.18 0.00 3.85 3.87 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 97 G 9.29 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 98 Q 7.91 4.69 0.00 2.20 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.97 0.00 0.00 0.00 0.00 0.00 2.33 2.42 0.00 99 H 8.98 4.60 0.00 3.36 3.48 0.00 5.51 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 E 7.75 4.66 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 2.08 2.18 0.00 101 P 0.00 4.16 0.00 1.24 0.49 0.00 3.69 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.55 0.00 102 L 8.20 4.10 0.00 1.55 1.55 0.82 0.75 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 0.00 103 V 8.04 4.81 2.00 0.00 0.00 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 0.00 0.00 0.81 0.00 0.00 *105 E 8.48 4.25 0.00 2.05 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 2.21 2.36 0.00 106 L 8.31 4.95 0.00 1.59 1.53 0.84 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 *108 R 8.52 4.15 0.00 1.88 1.90 0.00 3.24 0.00 0.00 3.26 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.68 0.00 109 G 9.18 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 0.00 110 T 7.45 4.50 4.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 111 D 8.48 4.70 0.00 2.85 2.89 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 0.00 112 V 7.55 3.55 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 1.00 0.00 0.00 0.99 0.00 0.00 113 V 7.75 3.73 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 0.82 0.00 0.00 0.99 0.00 0.00 114 G 8.08 3.79 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 0.00 0.00 0.00 115 I 7.60 2.99 1.11 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 -0.36 0.58 0.00 0.00 116 Q 7.40 4.08 0.00 2.25 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.16 0.00 0.00 0.00 0.00 0.00 2.39 2.48 0.00 *118 T 7.86 4.06 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 0.47 0.00 0.00 119 I 7.59 3.60 1.59 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.69 -0.10 0.00 0.00 120 A 7.81 4.12 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 0.00 121 R 7.73 3.65 0.00 1.59 1.73 0.00 2.75 0.00 0.00 2.93 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 1.47 0.00 122 Y 7.50 3.92 0.00 2.62 1.67 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 0.00 123 A 8.21 4.32 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 0.00 124 L 7.90 4.27 0.00 1.77 1.77 1.05 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 *125 G 7.96 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 * Residues marked with a * may have inaccurate shift predictions.