NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.1585 8.2644 122.4194 51.7136 20.3515 175.4361 3 V 4.1345 7.8008 120.8648 60.2351 33.8298 168.9429 4 V 4.8942 9.2637 128.9384 61.6651 34.1501 173.7273 5 T 4.9061 9.2358 124.6195 61.9656 71.3793 173.2955 6 Q 5.3192 8.4438 122.6511 52.5854 33.0613 175.1476 7 E 4.1689 8.8111 120.5417 56.7588 30.5973 178.3722 8 S 4.3690 8.8520 118.6510 61.3870 63.7020 173.9789 9 A 5.2028 7.6975 118.0995 50.6339 22.2415 175.2040 10 L 4.8435 8.9389 119.4068 53.3671 46.5012 175.5844 11 T 5.1168 8.5430 118.3902 62.2364 71.6371 172.9969 12 T 4.7369 9.1964 119.5790 60.8818 72.0790 171.9802 13 S 5.1329 8.4054 116.8326 55.5439 67.1108 172.5020 14 P 4.5502 0.0000 0.0000 64.3024 31.5689 177.3245 15 G 3.9328 9.4435 111.3639 45.3405 0.0000 173.3365 16 E 4.4046 7.7769 119.1176 56.4341 31.1929 175.5886 17 T 5.0174 8.2265 117.8718 62.1272 70.1869 174.8474 18 V 4.5322 8.6080 124.9841 60.1436 35.1988 174.5123 19 T 4.9569 8.3917 118.2173 61.8066 71.7290 173.0940 20 L 4.9112 8.9092 126.2145 53.0899 44.5488 175.6636 21 T 5.3330 9.6699 112.6704 60.1388 72.8237 172.3072 22 C 5.3715 9.5550 122.4558 55.1076 42.7152 172.5611 23 R 5.1147 9.2774 123.9621 54.4761 31.9241 175.0569 24 S 4.9441 8.4507 115.9208 57.0665 63.9890 174.9291 25 S 4.1985 8.6534 121.4044 61.5889 62.2718 175.1104 26 T 4.2208 7.5901 107.4626 61.5110 69.0605 174.0586 27 G 3.6899 7.0965 106.8373 44.3666 0.0000 173.4885 28 A 4.3423 8.3271 122.6403 52.0319 19.2724 178.0636 29 V 4.0716 8.1678 121.6533 62.8724 32.4992 175.4261 30 T 4.8969 8.5818 118.3691 59.8906 72.0101 174.5620 31 T 3.9327 8.3875 109.5591 64.0050 69.1053 176.1619 32 S 4.0523 7.4776 117.4721 60.1274 63.0542 174.4231 33 N 5.0821 7.7442 116.6854 52.4961 39.2395 174.3574 34 Y 3.5637 7.0351 115.4266 57.8999 36.1303 172.1598 35 A 4.2912 7.7168 121.2313 53.1444 20.0012 177.7608 36 N 5.5025 9.0640 119.3320 51.1549 42.3540 173.6703 37 W 5.2765 9.6702 122.5905 54.9839 32.4241 174.7482 38 V 5.0098 9.7011 124.4358 61.1091 34.8336 173.6790 39 Q 4.7244 9.4474 127.8673 54.1477 31.8368 173.5508 40 E 4.2264 8.8873 127.9016 54.3980 31.5689 174.9473 41 K 4.6916 8.7805 126.9925 53.7503 34.9569 174.5932 42 P 4.2229 0.0000 0.0000 65.5432 31.6073 176.8653 *43 D 4.7114 8.4625 119.1463 54.0934 37.0460 172.7446 44 H 4.0683 7.8242 112.8855 57.7050 26.5079 175.2174 45 L 4.6008 7.6336 121.2395 53.7790 43.4806 174.9850 46 F 5.2508 8.8942 125.6211 56.0600 41.0573 175.6418 47 T 4.7057 8.9789 112.9264 59.8479 72.3618 173.0706 48 G 4.0472 8.8040 111.9729 46.4342 0.0000 172.6051 49 L 4.5998 9.3511 125.6137 56.1937 43.5044 176.5518 50 I 5.2165 7.8944 118.5624 59.5235 41.2081 174.5447 51 G 4.3618 9.0223 112.0739 44.2508 0.0000 172.0963 52 G 4.5335 9.7451 107.0043 46.9480 0.0000 173.8121 53 T 3.9234 8.6681 120.7235 63.6029 67.7610 173.6840 54 N 5.0401 7.8490 112.7308 52.2403 38.7029 173.1847 55 N 4.7387 8.4623 118.0580 52.8529 39.6932 174.3380 56 R 4.7486 8.6183 124.7986 55.5521 31.4296 175.9263 57 A 4.3332 8.9955 128.1427 50.8876 19.8773 175.3479 58 P 4.3663 0.0000 0.0000 64.1913 31.8562 177.3053 59 G 3.9867 8.9381 111.0327 45.2433 0.0000 173.7727 60 V 3.8288 7.2627 119.6303 61.5178 31.8411 174.1281 61 P 4.4551 0.0000 0.0000 62.6410 31.7707 177.2222 62 A 4.2067 8.5004 123.2572 54.3581 18.6818 178.9401 63 R 4.0038 7.9406 111.6951 57.2872 30.0055 175.6476 64 F 5.1617 7.6190 118.2719 56.2976 40.2491 175.5884 65 S 4.6840 9.1194 117.7056 56.7696 66.4441 173.2011 66 G 4.5644 8.5628 109.7335 45.0343 0.0000 172.0751 67 S 4.7311 8.6145 115.3101 57.7341 67.1267 172.8835 68 L 5.1264 8.5104 119.6724 53.1925 43.2234 176.5085 69 I 4.2673 8.6239 125.4732 60.0930 38.6414 173.9833 70 G 4.1844 8.4806 116.1222 45.0234 0.0000 172.5928 71 N 5.2272 7.7269 114.8628 50.7473 38.0228 174.2277 72 K 5.0526 8.0698 116.3472 56.1986 37.7479 176.2429 73 A 4.9796 8.8612 124.5972 51.6120 20.3815 176.4959 74 A 5.2211 9.4700 122.5759 50.1160 23.3379 174.7081 75 L 4.4282 8.4277 123.3715 53.2701 44.5259 175.1362 76 T 4.8060 8.6090 123.3991 61.7322 71.4850 173.3293 77 I 4.3398 8.4850 127.6417 59.8297 39.2982 175.2797 78 T 4.1796 8.6856 126.4355 62.8917 68.4251 175.3261 79 G 3.5904 7.6725 115.4694 44.6150 0.0000 172.7088 80 A 4.0601 8.2978 122.4545 52.6311 19.6217 177.3837 81 Q 4.9442 8.9083 120.8601 53.6653 32.1252 177.0203 82 T 3.8671 8.4738 109.8024 64.8680 68.6888 176.1478 83 E 4.1266 8.1269 118.2854 58.3115 29.6676 177.0418 84 D 4.7807 8.0669 118.5469 54.9368 41.3646 175.9974 85 E 4.3029 8.2999 121.8770 56.6690 30.1755 175.8623 86 A 4.2154 7.9605 127.0760 52.1988 24.4374 173.9152 87 I 4.7129 7.4808 118.4674 60.0371 39.5476 174.9270 88 Y 5.1315 8.9220 125.0911 56.2655 40.4842 174.7173 89 F 5.5962 9.5872 123.2239 55.8323 42.3804 172.2295 90 C 4.9783 9.0782 116.2229 53.5171 46.1621 172.3727 91 A 4.9958 8.2946 120.8298 50.2724 22.3944 174.9931 92 L 5.1420 9.0157 121.7485 52.5646 45.4280 175.3158 93 W 4.1453 8.4620 133.7218 55.7152 31.7178 175.5254 94 Y 4.5075 7.0583 124.7858 56.6143 37.4259 176.4906 95 S 3.7924 7.3306 122.7112 59.3911 62.4042 173.0176 96 N 4.8040 6.7932 111.0094 52.2264 38.9350 173.1808 97 H 4.6284 5.9413 112.5371 54.6397 31.4564 172.3900 98 W 5.1670 8.7853 120.7998 55.5476 30.9513 175.8296 99 V 4.6259 8.8514 122.9889 61.3060 33.9137 174.3753 100 F 4.9546 9.2138 126.4324 56.3695 40.5431 176.0024 101 G 4.0977 9.3392 110.7011 45.2985 0.0000 174.0377 102 G 3.9086 8.8763 107.6881 46.1759 0.0000 174.7568 103 G 3.4726 8.5594 105.9215 45.7529 0.0000 172.9621 104 T 4.8936 8.5043 117.2467 60.3190 71.7811 173.3092 105 K 4.5157 8.7989 128.8874 55.7896 33.0490 175.2369 106 L 5.0230 9.1761 131.8219 54.2361 43.7248 175.0797 107 T 4.6499 9.0359 124.3120 62.0553 70.6218 173.9782 108 V 4.6215 8.6388 127.2794 61.0180 32.5545 175.3777 109 L 4.1902 9.3568 132.6316 55.2380 41.9177 178.2119 *110 E 4.2593 8.6822 119.4588 55.8771 30.0133 172.3288 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 A 8.26 4.16 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 V 7.80 4.13 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 0.93 0.00 0.00 0.92 0.00 0.00 4 V 9.26 4.89 2.20 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 1.02 0.00 0.00 1.12 0.00 0.00 5 T 9.24 4.91 4.29 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 1.26 0.00 0.00 6 Q 8.44 5.32 0.00 1.96 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.69 6.96 0.00 0.00 0.00 0.00 0.00 2.55 2.27 0.00 7 E 8.81 4.17 0.00 2.12 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 2.43 2.44 0.00 8 S 8.85 4.37 0.00 3.80 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 9 A 7.70 5.20 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 10 L 8.94 4.84 0.00 1.57 1.48 0.91 0.45 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 11 T 8.54 5.12 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 12 T 9.20 4.74 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 1.18 0.00 0.00 13 S 8.41 5.13 0.00 4.00 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 14 P 0.00 4.55 0.00 2.02 1.98 0.00 3.68 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.08 0.00 15 G 9.44 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 16 E 7.78 4.40 0.00 1.99 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 2.29 2.42 0.00 17 T 8.23 5.02 4.18 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 1.13 0.00 0.00 18 V 8.61 4.53 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 0.78 0.00 0.00 0.85 0.00 0.00 19 T 8.39 4.96 4.18 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 1.14 0.00 0.00 20 L 8.91 4.91 0.00 1.18 1.57 0.66 0.57 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 21 T 9.67 5.33 4.36 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 1.26 0.00 0.00 22 C 9.56 5.37 0.00 2.92 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 23 R 9.28 5.11 0.00 1.91 2.06 0.00 2.85 0.00 0.00 3.13 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.59 0.00 24 S 8.45 4.94 0.00 4.06 3.99 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 25 S 8.65 4.20 0.00 4.16 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 26 T 7.59 4.22 4.25 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 1.07 0.00 0.00 27 G 7.10 3.69 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 0.00 0.00 0.00 28 A 8.33 4.34 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 29 V 8.17 4.07 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 0.77 0.00 0.00 1.01 0.00 0.00 30 T 8.58 4.90 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 1.19 0.00 0.00 31 T 8.39 3.93 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 1.15 0.00 0.00 32 S 7.48 4.05 0.00 3.76 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 33 N 7.74 5.08 0.00 2.74 2.59 0.00 0.00 7.51 8.82 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 34 Y 7.04 3.56 0.00 3.06 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 35 A 7.72 4.29 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 0.00 0.00 0.00 0.00 0.00 36 N 9.06 5.50 0.00 2.45 2.57 0.00 0.00 6.41 7.28 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 37 W 9.67 5.28 0.00 3.32 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 38 V 9.70 5.01 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 1.37 0.00 0.00 1.05 0.00 0.00 39 Q 9.45 4.72 0.00 1.95 1.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.53 0.00 0.00 0.00 0.00 0.00 1.89 1.43 0.00 40 E 8.89 4.23 0.00 1.21 1.55 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 1.82 1.47 0.00 41 K 8.78 4.69 0.00 1.58 1.61 0.00 1.70 0.00 0.00 1.61 0.00 0.00 2.92 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.26 1.37 7.81 42 P 0.00 4.22 0.00 1.99 1.96 0.00 3.62 0.00 0.00 3.61 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 *43 D 8.46 4.71 0.00 2.81 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 44 H 7.82 4.07 0.00 3.32 3.50 0.00 5.66 0.00 0.00 0.00 0.00 8.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 L 7.63 4.60 0.00 1.77 1.47 0.93 0.79 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 46 F 8.89 5.25 0.00 2.92 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 T 8.98 4.71 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 1.21 0.00 0.00 48 G 8.80 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 49 L 9.35 4.60 0.00 1.75 1.59 0.83 0.13 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 50 I 7.89 5.22 2.29 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.41 1.20 0.00 0.00 51 G 9.02 4.36 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 0.00 52 G 9.75 4.53 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 0.00 0.00 0.00 53 T 8.67 3.92 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 1.26 0.00 0.00 54 N 7.85 5.04 0.00 2.80 2.97 0.00 0.00 6.02 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 55 N 8.46 4.74 0.00 2.86 2.84 0.00 0.00 6.64 7.13 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 56 R 8.62 4.75 0.00 1.88 1.86 0.00 3.48 0.00 0.00 3.58 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.70 0.00 57 A 9.00 4.33 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 58 P 0.00 4.37 0.00 2.06 2.02 0.00 3.69 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 2.03 2.10 0.00 59 G 8.94 3.99 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 0.00 0.00 0.00 60 V 7.26 3.83 2.21 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 0.71 0.00 0.00 0.91 0.00 0.00 61 P 0.00 4.46 0.00 2.41 2.06 0.00 3.86 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 2.45 2.23 0.00 62 A 8.50 4.21 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 0.00 0.00 0.00 0.00 0.00 63 R 7.94 4.00 0.00 2.00 2.06 0.00 2.75 0.00 0.00 3.18 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.87 0.00 64 F 7.62 5.16 0.00 2.98 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 65 S 9.12 4.68 0.00 3.83 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 66 G 8.56 4.56 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 0.00 0.00 0.00 67 S 8.61 4.73 0.00 3.90 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 68 L 8.51 5.13 0.00 1.54 1.65 0.92 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 69 I 8.62 4.27 1.89 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 1.23 1.20 0.92 0.00 0.00 70 G 8.48 4.18 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 0.00 71 N 7.73 5.23 0.00 2.75 2.99 0.00 0.00 5.75 6.42 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 72 K 8.07 5.05 0.00 1.86 1.78 0.00 1.71 0.00 0.00 1.72 0.00 0.00 2.90 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.43 1.45 7.81 73 A 8.86 4.98 1.44 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 74 A 9.47 5.22 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 75 L 8.43 4.43 0.00 0.27 0.13 0.68 0.33 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 76 T 8.61 4.81 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 1.10 0.00 0.00 77 I 8.48 4.34 1.58 0.00 0.00 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.75 0.38 0.38 0.00 0.00 78 T 8.69 4.18 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 1.14 0.00 0.00 79 G 7.67 3.59 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 0.00 0.00 0.00 80 A 8.30 4.06 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 81 Q 8.91 4.94 0.00 2.06 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.79 6.72 0.00 0.00 0.00 0.00 0.00 2.35 2.38 0.00 82 T 8.47 3.87 4.25 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 1.21 0.00 0.00 83 E 8.13 4.13 0.00 2.14 2.16 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 2.33 2.43 0.00 84 D 8.07 4.78 0.00 2.92 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 E 8.30 4.30 0.00 2.03 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 2.33 2.50 0.00 86 A 7.96 4.22 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 I 7.48 4.71 1.71 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 1.13 0.52 0.27 0.00 0.00 88 Y 8.92 5.13 0.00 3.12 3.24 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 89 F 9.59 5.60 0.00 3.15 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 90 C 9.08 4.98 0.00 1.59 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 91 A 8.29 5.00 0.42 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 92 L 9.02 5.14 0.00 1.39 1.02 0.93 0.88 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 93 W 8.46 4.15 0.00 1.78 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 94 Y 7.06 4.51 0.00 2.36 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 95 S 7.33 3.79 0.00 3.83 3.90 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 0.00 0.00 0.00 96 N 6.79 4.80 0.00 2.69 2.73 0.00 0.00 5.83 7.90 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 97 H 5.94 4.63 0.00 3.10 3.27 0.00 5.25 0.00 0.00 0.00 0.00 6.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 W 8.79 5.17 0.00 3.32 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 99 V 8.85 4.63 2.36 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 1.21 0.00 0.00 0.99 0.00 0.00 100 F 9.21 4.95 0.00 3.01 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 0.00 101 G 9.34 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 0.00 0.00 0.00 0.00 102 G 8.88 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 0.00 103 G 8.56 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 0.00 0.00 0.00 104 T 8.50 4.89 4.39 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 1.31 0.00 0.00 105 K 8.80 4.52 0.00 1.94 1.71 0.00 1.73 0.00 0.00 1.57 0.00 0.00 2.74 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.42 1.25 7.81 106 L 9.18 5.02 0.00 1.94 1.92 0.93 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 107 T 9.04 4.65 4.25 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 1.22 0.00 0.00 108 V 8.64 4.62 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 1.03 0.00 0.00 109 L 9.36 4.19 0.00 1.53 1.62 0.92 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 *110 E 8.68 4.26 0.00 1.97 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 2.15 1.85 0.00 * Residues marked with a * may have inaccurate shift predictions.