NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 D 4.6244 8.3649 120.2574 53.1411 41.4417 174.6153 6 F 4.6658 8.3343 122.8612 56.4425 39.5792 171.3129 7 E 3.9970 8.1586 124.4134 55.6143 30.9186 173.8398 8 E 4.1747 8.0470 129.6964 56.6588 27.4912 172.9238 9 K 4.6524 7.9887 124.2811 54.2406 35.5958 173.7420 10 M 4.4791 8.4453 126.0162 54.4092 32.7236 175.3876 11 I 4.1167 8.6681 129.0601 63.2034 37.2127 175.9976 12 L 4.7332 7.5554 120.2301 54.7882 43.8653 173.4522 13 I 5.9023 8.6057 120.4537 58.6008 40.6475 174.8617 14 R 4.7442 8.6696 121.6347 54.3756 33.4403 174.0466 15 R 4.3951 8.5204 121.2282 55.2867 31.0600 175.3309 16 T 4.6479 7.9129 118.8362 61.8109 71.5386 173.4155 17 A 4.3854 7.3578 119.1170 51.8660 22.4224 175.7203 18 R 4.6530 7.6684 113.9843 54.9142 33.6182 173.7619 19 M 4.5867 7.9629 117.6285 53.7036 35.1225 175.7320 20 Q 4.3271 8.3570 117.5900 55.1313 32.8696 172.8768 21 A 3.9980 8.8627 127.1986 54.1807 18.6041 176.0459 22 G 4.2242 9.2577 113.6542 45.6321 0.0000 173.9182 23 G 3.9747 7.4391 107.0018 45.5288 0.0000 170.7769 24 R 4.6328 8.4184 117.3626 53.4698 31.6143 176.5721 25 R 4.3239 8.1832 124.0453 56.0561 32.6268 173.4028 26 F 4.9659 8.0974 116.6795 57.6666 43.2535 174.0302 27 R 4.7673 7.8557 117.8875 56.8514 32.9702 173.5438 28 F 5.3934 8.6597 122.4826 55.6578 43.3301 174.1517 29 G 4.3750 9.2924 107.4588 44.4277 0.0000 172.0869 30 A 5.0991 8.3325 123.5394 50.0178 22.3760 174.7058 31 L 5.2314 8.8485 125.4663 54.3073 43.9498 175.6179 32 V 4.8096 9.1254 126.0403 61.2636 35.6110 174.2996 33 V 4.7567 8.2855 125.8053 60.8509 34.8627 174.3057 34 V 4.7141 7.4817 121.5109 61.7787 34.8903 172.6467 35 G 4.3328 8.4072 109.8136 45.3057 0.0000 173.7139 36 D 4.6910 9.2018 125.5872 57.1446 39.4332 178.0781 37 R 4.8232 8.6054 118.6119 57.2929 29.3353 176.0748 38 Q 4.4848 8.7988 115.3056 55.0196 30.0807 175.5000 39 G 3.8618 7.6477 106.8103 45.5473 0.0000 172.8247 40 R 5.1335 7.8549 119.4276 53.2763 33.1503 175.1528 41 V 5.2604 7.5201 115.1585 60.3070 36.4079 173.7748 42 G 4.4808 8.1967 108.1603 44.4493 0.0000 171.3216 43 L 4.9221 8.4802 126.8850 53.5316 43.9445 175.8055 44 G 4.2955 9.3088 112.4811 44.7129 0.0000 170.8997 45 F 5.5822 8.9153 126.6383 56.2019 41.7721 174.6393 46 G 3.9767 9.0910 113.7670 44.3268 0.0000 171.3137 47 K 5.1893 8.1164 124.7216 54.6614 34.5175 175.6261 48 A 4.4989 8.5066 122.3975 50.6602 22.8387 175.6607 49 P 4.4222 0.0000 0.0000 64.4286 32.0222 175.9409 50 E 4.1992 8.2771 118.3676 53.2937 32.6510 174.8586 51 V 3.2492 7.3320 121.7902 65.8528 31.2963 176.3584 52 P 4.1757 0.0000 0.0000 65.6655 31.3703 178.2992 53 L 3.8849 7.9658 116.8585 58.0063 41.5124 179.3285 54 A 3.9633 7.8317 120.1107 55.3571 18.1237 179.7078 55 V 3.5444 7.5743 115.1262 66.8677 31.9489 177.1102 56 Q 3.8985 8.6967 119.0201 58.9781 28.6659 178.3292 57 K 4.0317 8.8467 119.0199 60.3290 32.3841 178.0280 58 A 4.0636 8.5139 119.6881 56.2901 18.1003 179.6600 59 G 3.6825 8.5797 101.7964 47.6848 0.0000 174.7983 60 Y 4.1705 8.1203 121.1450 61.1424 38.7914 177.9892 61 Y 3.8917 8.2432 117.1623 60.4924 37.7246 177.7274 62 A 4.0428 8.3044 122.2636 55.7140 18.2547 179.9343 63 R 3.8504 8.2138 115.3189 59.0581 30.1947 178.8394 64 R 4.0974 7.3432 117.7410 58.2098 29.8405 175.8373 65 N 4.8334 8.1851 121.9429 52.2488 40.3530 172.8819 66 M 5.0355 8.4072 124.6306 53.7496 36.9870 174.8236 67 V 4.5211 9.1102 119.4862 60.0233 35.4587 175.0070 68 E 4.2871 8.7088 121.0358 55.4171 29.7791 175.5829 69 V 3.8746 9.8681 128.0468 61.4853 32.0272 173.2931 70 P 4.6980 0.0000 0.0000 62.3240 29.3276 177.1038 71 L 4.1643 8.0020 126.7286 56.7063 42.8143 176.3720 72 Q 4.9781 8.8232 121.0992 57.4600 31.0615 174.5897 73 N 4.2952 9.4964 119.8016 53.2130 36.9909 175.5504 74 G 4.1399 8.2586 106.2009 45.4369 0.0000 173.5762 75 T 4.9042 7.1608 112.7999 61.6200 66.1817 176.3638 76 I 4.6747 8.0670 117.4452 58.6511 40.4538 172.1214 77 P 4.2663 0.0000 0.0000 64.9608 31.4809 176.2466 78 H 5.0429 7.8859 114.2343 52.1752 31.8643 172.2081 79 E 4.7429 8.5301 118.1353 55.5779 30.6711 175.6986 80 I 4.7708 8.4888 115.8615 59.2920 41.7520 173.6544 81 E 5.2822 8.6516 121.3583 54.7297 33.0019 175.5334 82 V 4.5224 8.7106 122.2743 61.3343 35.5611 173.4562 83 E 4.9710 8.8856 126.3796 54.8259 31.4137 175.6724 84 F 4.6683 9.6581 127.9772 56.6638 40.7028 177.8940 85 G 3.5643 8.8282 120.6898 45.9448 0.0000 172.1182 86 A 4.4633 8.8645 129.3035 51.9008 21.4688 177.3651 87 S 5.2480 7.9493 113.2540 55.9417 64.9560 173.2904 88 K 5.1111 8.8294 126.0524 54.5656 35.3118 174.5012 89 I 5.1028 8.9317 126.1395 59.2237 41.8557 173.7478 90 V 4.8344 8.7206 128.6306 61.0744 34.1695 174.0957 91 L 5.1188 8.7691 127.5643 52.9142 44.3021 175.2810 92 K 4.9057 9.5911 127.2214 53.5020 35.0851 173.4619 93 P 4.7786 0.0000 0.0000 62.8553 31.9207 175.4999 94 A 4.9041 8.2025 124.3079 49.6821 21.7134 176.2264 95 A 4.1419 8.4489 121.8199 50.9313 19.2326 176.0748 96 P 4.9064 0.0000 0.0000 63.7298 31.8402 175.1500 97 G 3.6998 9.3676 112.3061 46.1922 0.0000 171.9137 98 T 4.4059 9.1833 118.1131 66.1830 73.2162 173.9560 99 G 3.9663 7.0096 104.4835 43.7853 0.0000 173.1322 100 V 4.7575 7.8947 120.6024 60.9897 30.5578 172.8281 101 I 4.2421 8.1830 117.6535 60.0394 38.8739 175.1196 102 A 4.5217 7.5407 126.8633 51.7283 22.0660 175.3425 103 G 3.7744 8.2576 108.4261 44.7867 0.0000 174.7772 104 A 3.9565 8.6886 120.4659 55.3300 18.2754 179.7474 105 V 3.5365 7.8132 116.2469 65.8901 31.6775 176.3650 106 P 4.2918 0.0000 0.0000 65.7029 31.3293 178.0635 107 R 3.8078 8.4191 118.6917 59.4521 29.5502 177.7323 108 A 3.8601 8.3108 119.6676 55.8855 18.4949 179.2430 109 I 3.6335 7.9394 115.9946 64.7361 37.1932 178.5626 110 L 4.1863 7.7225 118.2345 57.2322 41.7019 178.9861 111 E 4.0801 8.6226 119.4193 59.5035 29.3947 179.3445 112 L 3.4691 7.7499 117.2989 57.3684 41.8244 179.0619 113 A 4.0635 7.5870 119.9765 52.6709 18.4062 178.2899 114 G 4.2685 9.2740 110.7019 46.2024 0.0000 174.1223 115 V 3.6434 6.5694 118.9718 58.7988 33.4476 175.6249 116 T 4.5334 9.1537 121.5040 63.4704 72.1245 172.6846 117 D 5.1823 8.0953 120.1140 52.2778 42.9394 174.0378 118 I 4.7647 8.6673 122.7876 59.2991 42.2662 173.0580 119 L 4.9487 9.7596 130.3609 53.5367 43.5623 175.6564 120 T 5.1114 8.4096 113.0346 59.7402 72.5098 172.7940 121 K 4.6766 8.9074 124.2553 54.8892 35.7806 174.7193 122 E 4.7350 8.9437 128.8172 55.0281 29.3977 174.9692 123 L 4.3082 8.7240 127.2643 53.5338 44.3048 176.9570 124 G 3.8780 8.5125 107.1387 45.6080 0.0000 173.0720 125 S 4.0970 8.6905 115.6453 59.2240 62.6208 175.9340 126 R 4.3225 8.3000 127.6782 55.9095 30.7828 176.0687 127 N 4.2829 7.9695 117.7281 53.3424 38.6039 172.7754 128 P 4.0170 0.0000 0.0000 66.2997 32.1282 178.6682 129 I 3.4556 7.3857 117.0311 65.1695 37.3782 177.8426 130 N 4.5237 8.1177 116.7703 56.0778 38.4531 177.6607 131 I 3.6762 8.4116 121.7882 65.1072 37.2877 177.3449 132 A 3.7506 8.1973 119.4180 55.8749 17.5663 179.1995 133 Y 3.5507 8.3391 112.1289 60.4064 38.2639 179.4648 134 A 3.9658 7.8859 121.5413 55.5290 18.6844 179.5027 135 T 3.8012 8.3839 114.7264 67.7677 68.4436 175.9283 136 M 3.9431 7.9564 120.1110 58.2629 31.6947 178.2777 137 E 3.8513 7.8964 118.7795 59.9778 30.0681 179.2626 138 A 4.0569 7.8985 120.6434 55.0054 18.4244 179.1877 139 L 3.8729 8.1384 116.0702 58.5776 41.7102 180.3635 140 R 3.8355 7.7263 117.3109 59.0010 30.2455 177.1710 141 Q 4.5646 7.7689 115.8371 54.8944 30.1953 175.3034 142 L 4.6690 7.9733 120.6733 53.9857 42.7577 176.6955 143 R 4.7005 8.1027 121.0788 54.1497 33.7052 175.4034 144 T 4.6336 8.8528 110.8587 59.3787 72.9093 175.0201 145 K 3.7436 8.6985 122.2413 60.1983 31.9164 177.7396 146 A 4.1294 8.0191 119.7295 54.0205 17.7734 178.0866 147 D 4.3892 8.4068 123.5550 55.4714 40.2145 178.3277 148 V 3.6641 8.1626 121.5462 65.4799 30.9984 176.6344 149 E 4.1165 8.4655 117.3940 58.1986 29.6501 178.9106 150 R 3.9452 8.0990 119.7624 58.7253 30.1873 177.1868 151 L 4.4363 8.0289 117.3661 54.8632 43.2757 177.0630 152 R 4.6138 7.2820 118.9135 55.1077 31.0576 176.1369 153 K 3.7109 8.3302 118.9862 56.6227 30.8054 178.3112 154 G 3.5119 9.2092 120.6569 47.0958 0.0000 174.2520 *155 E 4.1319 8.1972 120.0252 56.0101 30.4399 175.0092 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 5 D 8.36 4.62 0.00 2.73 2.66 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 0.00 6 F 8.33 4.67 0.00 3.06 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 7 E 8.16 4.00 0.00 2.17 1.92 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 2.34 2.32 0.00 8 E 8.05 4.17 0.00 2.23 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 0.00 2.20 2.29 0.00 9 K 7.99 4.65 0.00 1.87 1.62 0.00 1.76 0.00 0.00 1.75 0.00 0.00 2.83 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.42 1.41 7.81 10 M 8.45 4.48 0.00 2.09 1.98 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.59 0.00 11 I 8.67 4.12 2.06 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 1.30 0.93 0.95 0.00 0.00 12 L 7.56 4.73 0.00 1.69 1.76 1.04 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 13 I 8.61 5.90 1.94 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 1.08 1.27 1.04 0.00 0.00 14 R 8.67 4.74 0.00 1.86 2.04 0.00 3.00 0.00 0.00 3.37 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.63 0.00 15 R 8.52 4.40 0.00 1.17 1.65 0.00 2.24 0.00 0.00 2.78 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.81 0.00 16 T 7.91 4.65 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 1.24 0.00 0.00 17 A 7.36 4.39 0.75 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 0.00 0.00 18 R 7.67 4.65 0.00 1.83 1.96 0.00 2.69 0.00 0.00 3.14 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.46 0.00 19 M 7.96 4.59 0.00 1.85 1.95 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.37 0.00 20 Q 8.36 4.33 0.00 1.93 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.83 0.00 0.00 0.00 0.00 0.00 2.10 2.27 0.00 21 A 8.86 4.00 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 22 G 9.26 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 0.00 0.00 0.00 0.00 23 G 7.44 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 24 R 8.42 4.63 0.00 1.40 1.72 0.00 2.67 0.00 0.00 2.25 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.14 0.00 25 R 8.18 4.32 0.00 1.91 1.81 0.00 3.19 0.00 0.00 3.37 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.79 0.00 26 F 8.10 4.97 0.00 2.97 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 27 R 7.86 4.77 0.00 1.94 1.78 0.00 3.15 0.00 0.00 3.37 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.55 0.00 28 F 8.66 5.39 0.00 2.92 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 29 G 9.29 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 0.00 0.00 0.00 0.00 30 A 8.33 5.10 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 31 L 8.85 5.23 0.00 2.01 1.67 0.94 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 32 V 9.13 4.81 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 0.94 0.00 0.00 0.98 0.00 0.00 33 V 8.29 4.76 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 1.02 0.00 0.00 0.92 0.00 0.00 34 V 7.48 4.71 2.17 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 0.87 0.00 0.00 1.01 0.00 0.00 35 G 8.41 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 0.00 0.00 0.00 0.00 36 D 9.20 4.69 0.00 2.94 3.30 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 37 R 8.61 4.82 0.00 1.84 2.39 0.00 3.09 0.00 0.00 3.09 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.46 0.00 38 Q 8.80 4.48 0.00 2.18 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.05 0.00 0.00 0.00 0.00 0.00 2.28 2.29 0.00 39 G 7.65 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 40 R 7.85 5.13 0.00 1.68 1.55 0.00 3.44 0.00 0.00 3.60 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.44 0.00 41 V 7.52 5.26 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 0.89 0.00 0.00 0.85 0.00 0.00 42 G 8.20 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 0.00 0.00 0.00 0.00 43 L 8.48 4.92 0.00 1.49 1.33 0.91 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 44 G 9.31 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 0.00 0.00 0.00 0.00 45 F 8.92 5.58 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 46 G 9.09 3.98 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 0.00 0.00 0.00 47 K 8.12 5.19 0.00 1.52 1.67 0.00 1.14 0.00 0.00 1.21 0.00 0.00 2.86 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.28 1.13 7.81 48 A 8.51 4.50 1.22 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 0.00 0.00 0.00 49 P 0.00 4.42 0.00 2.07 2.19 0.00 3.71 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.14 0.00 50 E 8.28 4.20 0.00 1.89 1.59 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 2.08 2.08 0.00 51 V 7.33 3.25 1.86 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 0.95 0.00 0.00 0.41 0.00 0.00 52 P 0.00 4.18 0.00 2.13 2.04 0.00 3.52 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.11 0.00 53 L 7.97 3.88 0.00 1.64 1.73 0.89 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 54 A 7.83 3.96 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 55 V 7.57 3.54 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 0.85 0.00 0.00 0.96 0.00 0.00 56 Q 8.70 3.90 0.00 2.18 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.42 0.00 0.00 0.00 0.00 0.00 2.36 2.53 0.00 57 K 8.85 4.03 0.00 2.11 2.40 0.00 1.82 0.00 0.00 1.85 0.00 0.00 3.35 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.54 1.80 7.81 58 A 8.51 4.06 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 59 G 8.58 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 60 Y 8.12 4.17 0.00 2.97 3.03 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 61 Y 8.24 3.89 0.00 3.03 2.97 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 62 A 8.30 4.04 1.52 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 0.00 0.00 0.00 63 R 8.21 3.85 0.00 1.76 2.05 0.00 3.29 0.00 0.00 3.31 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.75 0.00 64 R 7.34 4.10 0.00 1.59 2.01 0.00 3.11 0.00 0.00 3.07 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.54 0.00 65 N 8.19 4.83 0.00 2.84 2.65 0.00 0.00 7.06 7.71 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 66 M 8.41 5.04 0.00 1.76 1.78 0.00 0.00 0.00 0.00 0.00 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.56 0.00 67 V 9.11 4.52 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 0.68 0.00 0.00 0.89 0.00 0.00 68 E 8.71 4.29 0.00 1.97 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 2.22 2.28 0.00 69 V 9.87 3.87 2.11 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 0.93 0.00 0.00 0.97 0.00 0.00 70 P 0.00 4.70 0.00 2.20 2.08 0.00 3.81 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 1.98 1.97 0.00 71 L 8.00 4.16 0.00 1.66 1.70 0.92 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 72 Q 8.82 4.98 0.00 2.13 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.52 5.91 0.00 0.00 0.00 0.00 0.00 2.20 2.14 0.00 73 N 9.50 4.30 0.00 2.89 2.98 0.00 0.00 7.44 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 74 G 8.26 4.14 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 0.00 0.00 0.00 75 T 7.16 4.90 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 1.33 0.00 0.00 76 I 8.07 4.67 1.88 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 1.48 0.62 0.94 0.00 0.00 77 P 0.00 4.27 0.00 2.26 2.05 0.00 3.73 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.96 0.00 78 H 7.89 5.04 0.00 3.22 3.27 0.00 5.52 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 E 8.53 4.74 0.00 1.95 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 2.24 2.37 0.00 80 I 8.49 4.77 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 1.17 0.84 0.65 0.00 0.00 81 E 8.65 5.28 0.00 1.81 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 2.19 2.25 0.00 82 V 8.71 4.52 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 1.10 0.00 0.00 0.94 0.00 0.00 83 E 8.89 4.97 0.00 1.89 1.86 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 2.24 2.29 0.00 84 F 9.66 4.67 0.00 2.99 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 85 G 8.83 3.56 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 86 A 8.86 4.46 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 87 S 7.95 5.25 0.00 3.91 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 88 K 8.83 5.11 0.00 1.83 1.62 0.00 1.58 0.00 0.00 1.58 0.00 0.00 2.78 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.33 1.48 7.81 89 I 8.93 5.10 1.89 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 1.11 1.48 0.92 0.00 0.00 90 V 8.72 4.83 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 0.91 0.00 0.00 0.93 0.00 0.00 91 L 8.77 5.12 0.00 1.64 1.53 0.91 0.11 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 92 K 9.59 4.91 0.00 1.68 1.61 0.00 1.63 0.00 0.00 1.70 0.00 0.00 2.91 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.31 1.34 7.81 93 P 0.00 4.78 0.00 2.12 2.17 0.00 3.78 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 1.99 1.99 0.00 94 A 8.20 4.90 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 95 A 8.45 4.14 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 96 P 0.00 4.91 0.00 2.05 2.04 0.00 3.81 0.00 0.00 4.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.08 0.00 97 G 9.37 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 98 T 9.18 4.41 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 99 G 7.01 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 0.00 100 V 7.89 4.76 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 0.86 0.00 0.00 1.04 0.00 0.00 101 I 8.18 4.24 1.87 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 1.16 0.95 0.91 0.00 0.00 102 A 7.54 4.52 1.22 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 0.00 0.00 0.00 103 G 8.26 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 0.00 104 A 8.69 3.96 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 0.00 105 V 7.81 3.54 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 1.10 0.00 0.00 0.95 0.00 0.00 106 P 0.00 4.29 0.00 2.30 2.28 0.00 3.82 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 2.24 2.02 0.00 107 R 8.42 3.81 0.00 1.89 2.17 0.00 3.14 0.00 0.00 3.17 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.65 0.00 108 A 8.31 3.86 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 0.00 109 I 7.94 3.63 1.84 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 1.48 1.07 0.86 0.00 0.00 110 L 7.72 4.19 0.00 1.87 1.71 0.91 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 111 E 8.62 4.08 0.00 2.14 1.99 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 2.33 2.35 0.00 112 L 7.75 3.47 0.00 1.72 1.94 0.96 0.76 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 0.00 113 A 7.59 4.06 1.40 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 0.00 0.00 114 G 9.27 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 0.00 0.00 0.00 0.00 115 V 6.57 3.64 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 0.89 0.00 0.00 1.01 0.00 0.00 116 T 9.15 4.53 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 0.00 117 D 8.10 5.18 0.00 2.61 2.66 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 0.00 118 I 8.67 4.76 1.87 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 1.19 0.91 0.00 0.00 119 L 9.76 4.95 0.00 1.62 1.57 0.92 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 120 T 8.41 5.11 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 1.22 0.00 0.00 121 K 8.91 4.68 0.00 1.86 1.63 0.00 1.50 0.00 0.00 1.57 0.00 0.00 2.90 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.32 1.40 7.81 122 E 8.94 4.73 0.00 2.01 1.87 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 2.22 2.33 0.00 123 L 8.72 4.31 0.00 1.66 1.58 0.92 0.84 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 0.00 124 G 8.51 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 0.00 0.00 0.00 125 S 8.69 4.10 0.00 3.80 3.85 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 0.00 126 R 8.30 4.32 0.00 1.84 1.93 0.00 3.27 0.00 0.00 3.16 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.75 0.00 127 N 7.97 4.28 0.00 2.68 2.73 0.00 0.00 7.22 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 0.00 128 P 0.00 4.02 0.00 2.23 2.06 0.00 3.70 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.17 0.00 129 I 7.39 3.46 1.92 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.95 0.64 0.00 0.00 130 N 8.12 4.52 0.00 2.89 3.06 0.00 0.00 6.94 7.46 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 0.00 131 I 8.41 3.68 2.02 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 1.66 1.39 0.95 0.00 0.00 132 A 8.20 3.75 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 0.00 133 Y 8.34 3.55 0.00 2.70 1.62 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 0.00 134 A 7.89 3.97 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 0.00 135 T 8.38 3.80 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 1.18 0.00 0.00 136 M 7.96 3.94 0.00 1.92 2.02 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.70 0.00 137 E 7.90 3.85 0.00 1.95 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 0.00 2.35 2.55 0.00 138 A 7.90 4.06 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 0.00 139 L 8.14 3.87 0.00 1.80 1.72 0.88 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 140 R 7.73 3.84 0.00 1.86 2.15 0.00 3.23 0.00 0.00 3.21 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.71 0.00 141 Q 7.77 4.56 0.00 2.19 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.53 0.00 0.00 0.00 0.00 0.00 2.34 2.59 0.00 142 L 7.97 4.67 0.00 1.69 1.62 0.93 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 143 R 8.10 4.70 0.00 1.57 1.72 0.00 3.31 0.00 0.00 3.26 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.50 0.00 144 T 8.85 4.63 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 0.00 145 K 8.70 3.74 0.00 1.82 1.87 0.00 1.72 0.00 0.00 1.81 0.00 0.00 3.11 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.65 1.53 7.81 146 A 8.02 4.13 1.27 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 0.00 0.00 0.00 147 D 8.41 4.39 0.00 2.83 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 0.00 148 V 8.16 3.66 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 1.11 0.00 0.00 0.93 0.00 0.00 149 E 8.47 4.12 0.00 2.26 2.18 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 2.68 2.31 0.00 150 R 8.10 3.95 0.00 1.82 2.11 0.00 3.24 0.00 0.00 3.22 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.67 0.00 151 L 8.03 4.44 0.00 1.62 1.70 0.92 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 0.00 0.00 0.00 0.00 0.00 0.00 152 R 7.28 4.61 0.00 1.80 1.91 0.00 3.15 0.00 0.00 3.22 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.58 0.00 153 K 8.33 3.71 0.00 1.74 1.57 0.00 1.77 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.63 1.37 7.81 154 G 9.21 3.51 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 0.00 0.00 0.00 0.00 *155 E 8.20 4.13 0.00 1.75 1.78 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 2.13 2.37 0.00 * Residues marked with a * may have inaccurate shift predictions.