NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.7682 8.1933 115.3988 57.7334 64.6302 174.3087 2 L 4.1910 8.3459 119.7300 57.6131 41.2552 178.5339 3 I 3.8303 8.6463 120.8645 64.4474 37.4226 178.0213 4 Q 4.0929 7.7696 118.7528 58.6799 28.4631 178.2472 5 F 4.5617 8.4369 121.8574 61.5959 39.3519 176.5507 6 E 3.7912 8.4446 118.8028 59.7955 29.2335 179.0616 7 T 3.9157 7.7993 114.9828 66.7294 68.5016 176.7458 8 L 3.9656 8.2970 121.1504 57.6903 41.5551 179.6791 9 I 3.7263 7.9308 119.8872 64.6272 36.9980 178.3006 10 M 4.2934 8.2016 121.0881 57.7958 31.5696 179.1032 11 K 3.9836 8.1790 117.7066 59.3759 32.3621 179.3611 12 V 3.7721 7.9927 117.1514 65.4137 31.8023 176.7189 13 A 4.3444 8.0568 118.2523 51.4132 19.6674 176.7505 14 K 4.2803 7.6373 113.8217 56.2658 29.4351 175.1290 *16 K 4.6431 7.5755 114.9654 56.3124 33.6533 175.2873 17 S 4.8940 8.7194 115.2257 57.9422 63.9895 175.5018 18 G 3.7726 9.0365 116.0884 48.1677 0.0000 175.7973 19 M 4.1677 8.2941 119.6746 58.0964 32.2875 177.9070 20 F 4.1909 8.1180 120.0843 60.6343 39.7991 176.7883 21 W 4.5907 8.1115 115.4372 57.0236 29.4037 176.5243 22 Y 4.8825 8.1956 115.5636 57.5952 38.5183 176.2074 23 S 4.7041 8.5037 114.4163 59.0226 64.8428 174.1926 24 N 4.7529 6.8466 119.1784 52.6974 39.3861 172.0290 25 Y 4.5888 8.2207 121.6814 56.3072 42.2197 176.2318 26 G 3.6735 7.9831 116.2251 45.9631 0.0000 172.4695 27 C 4.4498 9.0395 115.2324 58.5410 40.6723 174.5978 28 Y 4.2179 8.5990 114.7048 57.5363 39.6743 175.2007 29 C 4.6247 8.8523 118.5302 58.8621 39.2514 173.3785 30 G 4.5821 8.4098 111.5295 42.6418 0.0000 170.7461 31 W 4.0624 8.4596 130.4827 58.0528 31.5022 177.7454 32 G 3.8423 7.9467 113.2076 46.8545 0.0000 172.6408 33 G 4.0463 7.7049 110.4305 44.8914 0.0000 171.2535 34 Q 4.4389 7.1518 117.1722 55.8650 31.8229 175.5008 35 G 3.8347 9.0033 105.5315 45.0321 0.0000 172.2366 36 R 4.6364 8.2391 118.5909 53.7176 31.7083 174.5214 37 P 4.4706 0.0000 0.0000 63.4930 31.6997 176.5409 38 Q 4.0989 8.8422 122.1502 58.0488 29.3743 174.8770 39 D 4.4960 7.1701 114.6719 51.2936 42.1694 175.1850 40 A 3.9560 8.7560 119.6355 56.1051 18.3810 179.8489 41 T 4.0181 8.0103 113.8037 67.0106 68.4336 176.1747 42 D 4.5226 8.7917 120.1649 57.2458 41.1668 178.2778 43 R 3.9108 8.3326 119.5633 59.4115 30.0354 177.7694 44 C 4.2148 8.3971 116.5558 60.2478 41.1793 175.5179 45 C 4.4041 8.3640 118.0311 59.8062 41.0163 175.8506 46 F 3.8417 8.4923 122.5475 61.2811 38.8669 177.3502 47 V 3.1849 8.0553 118.1911 66.0455 31.2197 177.3889 48 H 3.7676 8.0504 117.9565 59.1482 29.6311 176.8118 49 D 4.1392 8.0181 120.7083 57.6701 40.4428 178.3387 50 C 4.0611 7.5514 115.5275 59.8474 37.6984 175.0315 51 C 4.2489 8.1966 120.4209 60.0138 38.4415 175.3205 52 Y 4.2677 7.9553 118.4717 61.0306 37.1638 178.8117 53 G 3.6845 8.0610 105.6904 46.7047 0.0000 174.7815 54 K 4.5427 7.4526 118.1778 54.9246 32.6622 176.3623 55 V 3.7846 7.3022 120.9967 62.4840 31.7588 175.1820 56 T 4.4591 8.2672 117.4223 59.8336 71.0397 175.1492 *59 G 4.4363 8.7066 111.4561 45.6563 0.0000 171.0366 *61 C 4.6878 7.5788 112.8114 55.1991 42.9580 171.5681 *67 D 4.9841 8.1060 116.6783 53.7923 40.9720 174.4279 68 P 3.9635 0.0000 0.0000 64.7454 31.8507 178.0112 69 K 4.2267 8.3085 119.5828 59.0811 32.3172 178.2231 70 M 4.3920 7.5903 115.4316 56.0913 33.2512 176.6182 71 D 4.4992 8.1316 118.6101 53.9608 41.5657 175.6715 72 V 4.2018 8.2195 122.6161 61.4715 32.5799 174.8616 73 Y 4.8376 7.9101 125.1396 55.3890 40.5310 174.2904 74 S 5.1166 8.4754 113.8884 56.8100 65.2667 172.3906 75 F 5.5756 8.1131 119.0161 56.0266 40.8282 172.7038 76 S 4.8278 9.4382 113.9095 56.8305 67.0955 172.2406 77 E 5.3547 8.4707 119.2131 54.6896 31.8211 175.5758 78 E 4.6420 9.4099 119.8814 56.4645 32.5119 174.7133 79 N 4.2924 9.8340 114.9330 54.3076 36.2798 174.9038 80 G 3.9061 8.4844 102.4577 46.3319 0.0000 173.2664 81 D 4.8787 8.0915 118.0712 51.8103 44.6768 173.9764 82 I 4.6174 8.1549 122.7166 60.6206 38.2279 175.6944 83 V 4.3704 9.0077 127.2809 61.1998 33.8030 173.7803 84 C 4.8056 8.9419 126.1900 56.7517 40.6931 173.4687 85 G 3.7723 9.0777 113.1396 47.4276 0.0000 171.8465 86 G 3.9385 8.8460 108.7235 45.1690 0.0000 173.2109 *88 D 4.9040 8.0929 115.0524 52.5501 41.0727 175.0684 89 D 4.8310 7.6454 120.3148 52.1352 42.9690 174.5867 90 P 4.2838 0.0000 0.0000 66.0546 31.2905 178.9658 91 C 4.2881 8.3993 118.4185 59.3876 37.9841 175.6427 92 K 3.8952 8.2258 119.6948 58.9312 31.7381 179.0674 93 K 3.9524 8.0948 120.4999 59.2975 32.0879 178.7020 94 E 3.9224 8.1673 118.0696 59.1300 29.5060 179.2076 95 I 3.6477 7.4356 121.0140 64.3399 37.1115 177.3543 96 C 2.9168 7.5619 118.7608 59.3672 44.3519 175.5070 97 E 3.7588 8.0891 120.0729 59.4222 29.0993 178.6202 98 C 4.1083 8.0429 116.4983 60.2632 38.9560 176.0721 99 D 3.7779 7.9048 120.2919 56.9218 40.3719 178.7948 100 R 3.7431 8.1784 119.4194 59.3285 30.0408 178.2127 101 A 3.8643 7.8894 120.2531 55.2474 18.2463 179.5126 102 A 3.4132 7.6712 118.5106 55.0057 18.4115 179.6678 103 A 3.9112 7.9049 119.2882 55.2860 18.4403 179.9840 104 I 3.5751 7.6951 118.1983 64.6030 36.9903 177.5809 105 C 4.0700 7.8796 118.1319 59.8353 37.7963 175.3877 106 F 4.5451 7.8297 119.2494 60.5783 38.2116 177.4200 107 R 3.9005 8.0231 118.1811 59.8508 29.7215 178.3641 108 D 4.4824 8.4883 116.8736 56.2658 40.9579 177.4799 109 N 4.9763 7.6633 115.4868 53.0536 39.0033 176.4690 110 L 4.1276 7.7506 124.1865 57.9338 41.3468 179.2619 111 T 3.9122 8.0587 108.1625 64.1495 68.4724 174.5468 112 L 4.5538 7.7465 119.0393 54.2944 42.6247 176.1468 113 Y 4.0614 7.5804 120.7167 57.9698 39.1894 175.7704 114 N 4.9086 8.8927 125.6330 52.0682 40.1823 174.1418 115 D 4.5773 8.7198 125.5266 55.6967 40.3352 179.0565 116 K 3.8763 8.3419 120.1507 59.0371 32.3654 177.3402 117 K 3.9514 8.1255 118.4724 58.3073 32.3876 176.8213 118 Y 4.2503 7.3988 114.6537 57.4911 38.8571 175.5973 119 W 4.0966 8.0773 130.3544 58.5151 31.3026 175.2973 120 A 3.5876 7.4014 127.6525 52.3492 16.2708 177.7438 121 F 4.1664 8.3556 123.5311 60.6508 39.9453 174.8619 122 G 3.9553 8.2604 109.5070 45.3783 0.0000 174.0637 123 A 4.0109 8.4857 125.8264 54.7149 18.6961 179.8851 124 K 3.9676 7.8862 114.1302 59.7972 32.7876 177.8961 125 N 4.3957 7.9126 115.5792 54.8188 38.9524 174.5178 126 C 5.0717 7.6654 115.2759 54.4053 40.6788 171.9787 127 P 4.4509 0.0000 0.0000 62.1957 32.1019 178.1648 128 Q 4.0408 8.8073 120.8866 59.1499 28.5338 178.0948 129 E 4.0712 8.1394 117.5282 57.9793 29.8945 176.4965 130 E 4.4323 8.0074 116.9693 56.5238 29.5378 175.9194 131 S 4.8813 7.6340 116.2810 57.8055 63.0337 173.9695 132 E 4.1343 8.7735 127.3427 55.6806 29.8236 174.6764 133 P 4.7207 0.0000 0.0000 62.1569 32.9175 176.9399 134 C 4.4215 8.7439 117.7671 57.5434 41.1059 173.7353 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 S 8.19 4.77 0.00 4.12 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 2 L 8.35 4.19 0.00 1.89 2.00 1.28 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 3 I 8.65 3.83 1.91 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.02 0.96 0.00 0.00 4 Q 7.77 4.09 0.00 1.85 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.78 0.00 0.00 0.00 0.00 0.00 2.34 2.24 0.00 5 F 8.44 4.56 0.00 3.41 3.35 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 6 E 8.44 3.79 0.00 2.16 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 0.00 2.36 2.45 0.00 7 T 7.80 3.92 4.49 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 1.36 0.00 0.00 8 L 8.30 3.97 0.00 1.97 1.77 0.33 1.07 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 9 I 7.93 3.73 1.91 0.00 0.00 0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.35 0.98 0.00 0.00 10 M 8.20 4.29 0.00 2.08 2.31 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.85 2.61 0.00 11 K 8.18 3.98 0.00 1.85 1.90 0.00 1.75 0.00 0.00 1.94 0.00 0.00 3.16 0.00 0.00 3.42 0.00 0.00 0.00 0.00 1.55 1.67 7.81 12 V 7.99 3.77 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 0.80 0.00 0.00 0.91 0.00 0.00 13 A 8.06 4.34 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 14 K 7.64 4.28 0.00 1.96 1.87 0.00 1.98 0.00 0.00 1.77 0.00 0.00 2.87 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.43 1.56 7.81 *16 K 7.58 4.64 0.00 1.90 1.87 0.00 1.24 0.00 0.00 1.66 0.00 0.00 2.24 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.49 1.04 7.81 17 S 8.72 4.89 0.00 3.99 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 18 G 9.04 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 0.00 0.00 0.00 19 M 8.29 4.17 0.00 2.16 2.20 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.72 2.65 0.00 20 F 8.12 4.19 0.00 2.83 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 21 W 8.11 4.59 0.00 2.78 2.32 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 22 Y 8.20 4.88 0.00 2.90 2.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 S 8.50 4.70 0.00 4.11 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 24 N 6.85 4.75 0.00 2.49 1.48 0.00 0.00 6.60 7.56 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 25 Y 8.22 4.59 0.00 2.88 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 26 G 7.98 3.67 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 0.00 0.00 0.00 27 C 9.04 4.45 0.00 2.99 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 28 Y 8.60 4.22 0.00 3.16 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 29 C 8.85 4.62 0.00 3.41 3.47 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 30 G 8.41 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 0.00 0.00 0.00 0.00 31 W 8.46 4.06 0.00 3.48 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 32 G 7.95 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 G 7.70 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 34 Q 7.15 4.44 0.00 2.10 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.49 0.00 0.00 0.00 0.00 0.00 2.09 2.43 0.00 35 G 9.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 R 8.24 4.64 0.00 1.83 1.82 0.00 3.25 0.00 0.00 3.21 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.77 0.00 37 P 0.00 4.47 0.00 1.84 1.86 0.00 3.44 0.00 0.00 3.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 1.13 0.00 38 Q 8.84 4.10 0.00 1.21 1.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.67 0.00 0.00 0.00 0.00 0.00 2.30 1.62 0.00 39 D 7.17 4.50 0.00 2.75 2.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 A 8.76 3.96 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 T 8.01 4.02 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 1.12 0.00 0.00 42 D 8.79 4.52 0.00 2.93 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 43 R 8.33 3.91 0.00 1.88 2.06 0.00 3.13 0.00 0.00 3.16 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.74 0.00 44 C 8.40 4.21 0.00 3.28 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 45 C 8.36 4.40 0.00 3.41 3.47 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 46 F 8.49 3.84 0.00 2.39 2.95 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 47 V 8.06 3.18 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 0.86 0.00 0.00 0.97 0.00 0.00 48 H 8.05 3.77 0.00 3.10 3.25 0.00 5.65 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 49 D 8.02 4.14 0.00 2.72 2.60 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 50 C 7.55 4.06 0.00 2.70 2.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 C 8.20 4.25 0.00 2.91 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 52 Y 7.96 4.27 0.00 2.88 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 G 8.06 3.68 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 K 7.45 4.54 0.00 1.68 1.79 0.00 1.62 0.00 0.00 1.57 0.00 0.00 2.88 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.34 1.35 7.81 55 V 7.30 3.78 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 0.70 0.00 0.00 0.95 0.00 0.00 56 T 8.27 4.46 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 1.19 0.00 0.00 *59 G 8.71 4.44 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 0.00 0.00 0.00 *61 C 7.58 4.69 0.00 3.43 3.40 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 *67 D 8.11 4.98 0.00 2.79 2.63 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 0.00 0.00 0.00 0.00 68 P 0.00 3.96 0.00 0.66 0.61 0.00 3.51 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.72 0.00 69 K 8.31 4.23 0.00 2.00 2.00 0.00 1.75 0.00 0.00 1.72 0.00 0.00 2.94 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.56 1.68 7.81 70 M 7.59 4.39 0.00 2.14 2.34 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.51 0.00 71 D 8.13 4.50 0.00 2.80 2.63 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 0.00 0.00 0.00 0.00 72 V 8.22 4.20 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 0.77 0.00 0.00 0.90 0.00 0.00 73 Y 7.91 4.84 0.00 3.08 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 74 S 8.48 5.12 0.00 3.94 3.80 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 75 F 8.11 5.58 0.00 3.19 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 76 S 9.44 4.83 0.00 3.87 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 77 E 8.47 5.35 0.00 1.91 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 2.37 2.50 0.00 78 E 9.41 4.64 0.00 2.13 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 2.18 2.25 0.00 79 N 9.83 4.29 0.00 2.87 2.92 0.00 0.00 6.95 7.65 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 80 G 8.48 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 0.00 0.00 0.00 81 D 8.09 4.88 0.00 2.70 2.48 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 0.00 82 I 8.15 4.62 1.82 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 0.85 0.79 0.00 0.00 83 V 9.01 4.37 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 1.09 0.00 0.00 0.96 0.00 0.00 84 C 8.94 4.81 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 85 G 9.08 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 0.00 0.00 0.00 86 G 8.85 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 0.00 0.00 0.00 *88 D 8.09 4.90 0.00 2.83 2.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 D 7.65 4.83 0.00 2.72 2.59 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.28 0.00 2.29 2.28 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 2.06 2.01 0.00 91 C 8.40 4.29 0.00 3.02 3.23 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 92 K 8.23 3.90 0.00 1.90 1.96 0.00 1.77 0.00 0.00 2.04 0.00 0.00 2.92 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.59 1.52 7.81 93 K 8.09 3.95 0.00 1.84 1.92 0.00 1.63 0.00 0.00 1.68 0.00 0.00 3.13 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.39 1.42 7.81 94 E 8.17 3.92 0.00 2.20 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 0.00 2.50 2.30 0.00 95 I 7.44 3.65 2.09 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 1.26 0.73 1.05 0.00 0.00 96 C 7.56 2.92 0.00 2.10 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 97 E 8.09 3.76 0.00 2.08 1.88 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 2.49 2.42 0.00 98 C 8.04 4.11 0.00 3.14 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 99 D 7.90 3.78 0.00 2.77 2.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 R 8.18 3.74 0.00 1.76 2.01 0.00 3.04 0.00 0.00 3.25 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.57 0.00 101 A 7.89 3.86 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 0.00 102 A 7.67 3.41 1.07 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 0.00 0.00 103 A 7.90 3.91 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 I 7.70 3.58 1.93 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 1.37 0.58 0.86 0.00 0.00 105 C 7.88 4.07 0.00 2.91 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 0.00 106 F 7.83 4.55 0.00 3.02 2.62 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 0.00 107 R 8.02 3.90 0.00 2.00 2.12 0.00 3.09 0.00 0.00 3.26 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.68 0.00 108 D 8.49 4.48 0.00 2.80 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 0.00 109 N 7.66 4.98 0.00 2.97 2.88 0.00 0.00 6.83 6.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 L 7.75 4.13 0.00 1.67 1.68 0.90 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 111 T 8.06 3.91 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 1.23 0.00 0.00 112 L 7.75 4.55 0.00 1.76 1.83 0.97 1.00 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 0.00 113 Y 7.58 4.06 0.00 2.93 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 0.00 114 N 8.89 4.91 0.00 2.78 2.75 0.00 0.00 6.66 9.03 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 0.00 115 D 8.72 4.58 0.00 3.12 3.47 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 0.00 116 K 8.34 3.88 0.00 1.81 1.87 0.00 1.68 0.00 0.00 1.67 0.00 0.00 3.07 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.44 1.51 7.81 117 K 8.13 3.95 0.00 1.43 0.88 0.00 1.57 0.00 0.00 1.07 0.00 0.00 2.87 0.00 0.00 2.85 0.00 0.00 0.00 0.00 0.43 1.09 7.81 118 Y 7.40 4.25 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 0.00 0.00 0.00 119 W 8.08 4.10 0.00 3.52 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.40 3.59 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 0.00 121 F 8.36 4.17 0.00 2.96 3.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 G 8.26 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 A 8.49 4.01 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 0.00 124 K 7.89 3.97 0.00 1.82 1.91 0.00 1.50 0.00 0.00 1.65 0.00 0.00 2.92 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.31 1.35 7.81 125 N 7.91 4.40 0.00 2.49 2.39 0.00 0.00 6.79 6.97 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 0.00 126 C 7.67 5.07 0.00 2.88 3.17 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 0.00 127 P 0.00 4.45 0.00 2.18 1.97 0.00 3.62 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.28 0.00 128 Q 8.81 4.04 0.00 2.21 2.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.87 6.94 0.00 0.00 0.00 0.00 0.00 2.42 2.31 0.00 129 E 8.14 4.07 0.00 1.94 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 2.29 2.40 0.00 130 E 8.01 4.43 0.00 2.13 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 2.29 2.27 0.00 131 S 7.63 4.88 0.00 3.81 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 0.00 132 E 8.77 4.13 0.00 1.72 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.21 0.00 133 P 0.00 4.72 0.00 2.16 2.08 0.00 3.85 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.02 0.00 134 C 8.74 4.42 0.00 2.90 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 * Residues marked with a * may have inaccurate shift predictions.