NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.8021 8.1400 114.7913 57.7612 64.6070 174.1959 2 L 4.0342 8.7026 123.3598 58.0624 41.7826 177.8816 3 L 4.0549 8.7718 119.8453 57.8283 41.9568 178.7426 4 E 4.0493 8.1483 118.2023 59.3382 29.2921 179.0656 5 F 4.6508 8.8580 121.2489 61.5243 39.4688 177.4052 6 G 3.5216 8.5555 105.5799 47.5760 0.0000 175.6395 7 K 4.0157 8.1643 121.9700 59.4900 32.1845 178.6102 8 M 4.3774 8.4085 120.1721 58.1425 32.0458 178.2502 9 I 3.5887 7.9479 120.2447 64.2558 37.1830 178.1579 10 L 4.4231 7.8847 122.4043 57.7368 42.0350 178.6804 11 E 3.9934 8.5072 118.8265 59.5194 29.1844 179.3505 12 E 4.0733 8.3311 117.7127 59.3698 29.7361 178.7308 13 T 4.4015 8.1287 107.2543 60.9717 70.4090 175.9033 14 G 3.7992 8.2923 109.7030 45.7001 0.0000 173.1044 *16 K 4.6756 7.4419 117.8500 55.8777 33.5114 175.1319 17 L 4.3070 8.1891 122.2606 54.4603 42.4917 177.9708 18 A 3.9850 8.8981 126.6435 54.8751 18.5453 177.0789 19 I 4.6130 7.9117 116.9487 58.8718 37.4419 173.6930 20 P 4.8473 0.0000 0.0000 62.5218 32.1556 176.4115 21 S 4.2703 8.1745 115.8799 61.1308 62.7545 174.4185 22 Y 4.6975 8.0591 114.7730 57.3341 39.1377 176.3923 23 S 4.6182 8.1436 114.9132 59.9295 63.8578 175.2814 24 S 4.6650 7.9055 115.5836 58.1250 63.7945 172.1184 25 Y 4.6793 8.4821 122.4732 58.1417 40.0292 175.6713 26 G 3.5412 8.1796 116.7797 46.5046 0.0000 173.1107 27 C 4.3882 9.2610 115.4122 60.9288 28.8039 174.6251 28 Y 4.5984 8.5043 114.5744 57.5295 39.8483 175.5759 29 C 4.5966 8.3456 118.5977 60.0929 29.0852 175.4244 30 G 4.3213 9.8774 113.1873 46.4966 0.0000 173.5612 31 W 4.7839 9.1355 127.4818 56.9733 33.9706 173.1768 32 G 4.3187 7.7084 111.4348 45.0200 0.0000 173.8743 33 G 4.2706 8.5148 108.8608 44.3552 0.0000 172.1125 34 K 4.8020 7.7566 117.2122 55.3175 35.7751 175.8148 35 G 4.5203 9.2314 107.4521 44.9131 0.0000 173.6260 36 T 4.2183 8.1726 116.6260 61.6835 69.1225 173.4800 37 P 4.6456 0.0000 0.0000 63.0271 31.9060 176.8319 38 K 3.7666 8.7354 121.1305 59.1092 32.2599 176.7435 39 D 4.4358 7.3918 116.4994 51.4282 42.8551 175.9079 40 A 3.9979 8.4515 120.4449 55.8042 18.0643 179.7269 41 T 4.0265 8.0868 113.5861 67.0461 68.5205 176.1544 42 D 4.6198 9.0710 120.2436 57.5070 41.1422 178.4958 43 R 3.9586 8.3385 118.8492 59.2318 29.8964 178.6314 44 C 4.0303 8.2263 116.7410 63.1055 28.0492 175.9967 45 C 4.2509 8.1799 117.9964 62.6522 27.6871 175.7582 46 F 3.6612 8.5482 122.5943 61.3297 38.8474 177.4037 47 V 3.4183 8.0832 117.9105 66.1234 31.2078 177.3927 48 H 3.8593 8.3318 118.2198 59.1830 29.5528 176.9714 49 D 4.1055 8.2410 121.0377 57.5203 40.6409 178.0664 50 C 4.0300 7.8478 117.0582 59.9904 39.8967 175.4115 51 C 4.1165 7.9518 119.3369 59.9882 44.4187 174.9624 52 Y 4.3599 8.0947 118.7020 61.0450 37.1925 178.7979 53 G 3.6125 8.1257 105.8120 47.4066 0.0000 174.9933 54 N 4.5428 7.8943 117.3958 54.5524 39.7095 174.8911 55 L 4.8520 7.5888 119.5774 52.8283 42.2880 175.2444 56 P 4.1819 0.0000 0.0000 65.6812 32.3407 178.3863 *59 D 4.9376 7.8949 117.2631 54.3543 42.4854 175.3051 *61 C 5.2067 7.6290 116.1417 57.3230 42.4841 172.9279 *67 N 5.2044 7.9412 116.1536 53.0457 38.3294 173.7283 68 P 4.0209 0.0000 0.0000 64.8314 32.1550 179.2998 69 K 4.1183 7.9933 117.8538 58.2901 32.2477 178.5060 70 S 4.4665 7.7629 110.9779 58.4281 65.0547 173.9883 71 D 4.4384 8.1407 121.2962 53.8470 41.4282 175.4670 72 R 4.4819 8.3786 125.6332 55.0897 31.4710 175.0444 73 Y 4.9734 7.8808 118.9273 55.0409 41.2290 174.6354 74 K 5.0006 8.5831 118.9272 55.0249 35.2037 174.9710 75 Y 5.5205 8.2870 120.3132 55.7258 41.6392 173.3248 76 K 4.6967 9.2600 118.8861 55.5436 36.9419 174.6281 77 R 5.2712 8.5600 118.0242 54.4359 32.9061 176.3266 78 V 4.0942 8.8103 122.3037 62.3270 33.6576 174.9611 79 N 4.0275 9.7183 121.8290 54.8184 35.1692 174.7434 80 G 4.1308 8.1112 110.4751 45.9800 0.0000 171.9413 81 A 4.3333 7.8375 121.9659 51.5129 19.7987 177.0818 82 I 4.4089 8.3161 122.5821 61.2097 38.3338 175.8236 83 V 4.3113 9.1323 126.8233 61.1626 33.9856 174.0684 84 C 4.7233 8.6645 126.5386 59.5496 28.5879 173.8791 85 E 4.4359 8.9472 123.9497 55.2322 30.9338 176.3392 86 K 4.4653 7.9169 122.4109 55.5979 33.6516 175.5775 *88 G 4.3207 8.2878 114.5719 45.2650 0.0000 172.8345 89 T 4.1684 8.6863 114.4381 61.2328 70.9166 175.7870 90 S 4.0861 8.5213 117.4007 62.0650 62.8015 177.6896 91 C 4.2453 8.1259 118.4707 60.1197 40.1050 175.8337 92 E 4.0000 8.1696 120.0666 59.5336 28.6418 179.2024 93 N 4.2748 8.3888 116.5796 56.4786 38.6215 177.7708 94 R 3.9542 7.9786 119.4117 59.0789 30.1054 179.1229 95 I 3.6309 8.0606 120.1086 64.4698 37.1272 177.9222 96 C 2.8085 7.9083 119.6064 62.2059 31.2290 175.5105 97 E 3.9113 8.0076 120.0047 59.3911 28.9528 178.7160 98 C 4.1571 8.0649 116.5677 60.1238 39.5620 175.9768 99 D 3.8190 8.0186 120.4124 56.9217 40.3378 178.4682 100 K 3.6751 8.2241 120.3504 59.5778 32.0479 178.4680 101 A 3.8522 7.8094 120.4694 55.1491 18.2661 179.4850 102 A 3.5043 7.7906 118.9970 54.9974 18.3941 179.7411 103 A 3.8769 8.2270 119.6325 55.2873 18.3715 179.9043 104 I 3.6246 7.8227 118.4454 64.6221 36.9427 178.1678 105 C 4.0323 7.9867 118.7065 62.4907 31.7248 175.2906 106 F 4.6571 8.1859 119.7708 60.6343 37.9479 177.5645 107 R 3.9414 8.1488 118.3014 59.5986 29.7296 178.3318 108 Q 4.1777 8.2821 117.7920 57.9428 29.2889 176.1133 109 N 5.0784 7.7425 115.3033 52.9895 40.0692 176.0544 110 L 4.1149 8.0124 120.7625 58.0360 41.6755 179.2910 111 N 4.5575 8.2849 113.5689 55.0518 37.0910 175.0889 112 T 4.6457 7.9690 106.5304 60.7403 70.1024 173.4304 113 Y 4.1442 7.8651 123.4481 58.5019 39.3919 175.6797 114 S 4.6794 8.7644 122.0699 56.3890 65.7826 175.3688 115 K 4.0402 8.8560 125.5788 58.9847 32.0072 179.0397 116 K 3.9147 7.6774 116.6223 58.9856 32.5744 176.9837 117 Y 4.4442 7.2533 116.7239 58.1355 38.2047 175.4558 118 M 4.3943 7.5975 120.5387 56.3117 32.5154 175.8176 119 L 3.6733 8.4067 120.3611 55.7098 40.0091 174.6146 120 Y 4.1882 7.7018 119.2211 56.8713 39.6116 173.7795 121 P 4.3663 0.0000 0.0000 62.1257 32.3825 176.8404 122 D 4.2556 8.8123 122.0608 57.2059 41.2858 178.0027 *124 F 4.7360 7.8339 111.4698 56.4814 39.5443 175.2693 125 L 3.7829 6.8527 119.5196 54.8649 41.3079 176.3769 126 C 4.7418 8.0297 117.9618 57.6922 29.1033 173.2902 127 K 4.6015 8.4283 123.4042 55.6634 35.3785 176.2478 128 G 4.1969 8.9067 107.8577 46.0696 0.0000 172.2090 129 E 4.6679 8.4349 120.5268 54.8514 30.9534 175.4243 130 L 4.6928 8.4459 123.7980 52.7931 44.0012 176.0364 131 K 4.1113 8.4783 125.7550 56.6549 32.9013 177.9290 *133 C 4.9056 8.5473 118.1755 57.5080 41.5364 173.7955 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 8.14 4.80 0.00 4.10 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 2 L 8.70 4.03 0.00 1.93 1.82 1.23 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 3 L 8.77 4.05 0.00 1.75 1.73 0.94 1.01 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 4 E 8.15 4.05 0.00 1.98 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 2.25 2.22 0.00 5 F 8.86 4.65 0.00 3.43 3.39 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 6 G 8.56 3.52 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 0.00 7 K 8.16 4.02 0.00 1.92 2.11 0.00 1.69 0.00 0.00 1.67 0.00 0.00 2.93 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.59 1.51 7.81 8 M 8.41 4.38 0.00 2.33 2.18 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.41 0.00 9 I 7.95 3.59 1.80 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.08 0.57 0.00 0.00 10 L 7.88 4.42 0.00 1.76 1.81 0.96 0.72 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 11 E 8.51 3.99 0.00 2.29 2.06 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 2.40 2.56 0.00 12 E 8.33 4.07 0.00 2.07 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 2.51 2.57 0.00 13 T 8.13 4.40 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 1.27 0.00 0.00 14 G 8.29 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 0.00 0.00 0.00 *16 K 7.44 4.68 0.00 1.90 1.63 0.00 1.35 0.00 0.00 0.94 0.00 0.00 2.41 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.19 1.25 7.81 17 L 8.19 4.31 0.00 1.71 1.75 0.92 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 18 A 8.90 3.98 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 19 I 7.91 4.61 1.91 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 1.17 1.45 0.95 0.00 0.00 20 P 0.00 4.85 0.00 2.17 2.14 0.00 3.76 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 1.89 1.95 0.00 21 S 8.17 4.27 0.00 3.84 3.34 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 22 Y 8.06 4.70 0.00 2.81 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 23 S 8.14 4.62 0.00 4.12 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 24 S 7.91 4.66 0.00 4.01 4.08 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 25 Y 8.48 4.68 0.00 2.98 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 26 G 8.18 3.54 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 0.00 0.00 0.00 27 C 9.26 4.39 0.00 2.99 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 28 Y 8.50 4.60 0.00 3.40 3.29 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 29 C 8.35 4.60 0.00 3.52 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 0.00 30 G 9.88 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 0.00 0.00 0.00 31 W 9.14 4.78 0.00 3.18 3.18 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 32 G 7.71 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 0.00 0.00 0.00 33 G 8.51 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 34 K 7.76 4.80 0.00 1.96 1.78 0.00 1.59 0.00 0.00 1.76 0.00 0.00 2.92 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.28 1.60 7.81 35 G 9.23 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 0.00 0.00 0.00 0.00 36 T 8.17 4.22 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 1.15 0.00 0.00 37 P 0.00 4.65 0.00 1.94 2.05 0.00 3.46 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.76 0.00 38 K 8.74 3.77 0.00 0.79 0.74 0.00 1.66 0.00 0.00 1.34 0.00 0.00 2.68 0.00 0.00 2.68 0.00 0.00 0.00 0.00 0.90 0.21 7.81 39 D 7.39 4.44 0.00 2.88 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 40 A 8.45 4.00 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 41 T 8.09 4.03 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 0.88 0.00 0.00 42 D 9.07 4.62 0.00 3.01 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 43 R 8.34 3.96 0.00 2.06 1.96 0.00 3.10 0.00 0.00 3.06 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.81 0.00 44 C 8.23 4.03 0.00 3.20 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 45 C 8.18 4.25 0.00 3.41 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 46 F 8.55 3.66 0.00 2.55 3.02 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 0.00 0.00 0.00 47 V 8.08 3.42 2.04 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 0.93 0.00 0.00 1.06 0.00 0.00 48 H 8.33 3.86 0.00 3.08 3.27 0.00 5.64 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 8.24 4.11 0.00 2.63 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 50 C 7.85 4.03 0.00 2.89 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 51 C 7.95 4.12 0.00 2.94 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 52 Y 8.09 4.36 0.00 3.01 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 53 G 8.13 3.61 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 0.00 0.00 0.00 54 N 7.89 4.54 0.00 2.91 2.86 0.00 0.00 6.76 7.93 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 55 L 7.59 4.85 0.00 1.60 1.50 0.86 0.97 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 56 P 0.00 4.18 0.00 2.19 2.28 0.00 3.78 0.00 0.00 3.88 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 *59 D 7.89 4.94 0.00 2.76 2.73 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 *61 C 7.63 5.21 0.00 3.00 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 *67 N 7.94 5.20 0.00 2.73 2.77 0.00 0.00 7.63 8.03 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 68 P 0.00 4.02 0.00 0.73 0.88 0.00 3.35 0.00 0.00 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 1.35 0.00 69 K 7.99 4.12 0.00 1.82 1.90 0.00 1.69 0.00 0.00 1.94 0.00 0.00 2.97 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.63 1.43 7.81 70 S 7.76 4.47 0.00 3.93 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 71 D 8.14 4.44 0.00 2.72 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 R 8.38 4.48 0.00 1.80 1.89 0.00 3.17 0.00 0.00 3.33 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.56 0.00 73 Y 7.88 4.97 0.00 3.05 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 74 K 8.58 5.00 0.00 1.75 1.89 0.00 1.64 0.00 0.00 1.87 0.00 0.00 2.91 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.47 1.37 7.81 75 Y 8.29 5.52 0.00 3.10 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 76 K 9.26 4.70 0.00 1.78 1.91 0.00 1.27 0.00 0.00 1.82 0.00 0.00 2.86 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.50 1.43 7.81 77 R 8.56 5.27 0.00 1.71 1.90 0.00 3.38 0.00 0.00 3.34 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.58 0.00 78 V 8.81 4.09 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 0.95 0.00 0.00 79 N 9.72 4.03 0.00 2.82 2.96 0.00 0.00 7.18 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 8.11 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 0.00 0.00 0.00 0.00 81 A 7.84 4.33 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 82 I 8.32 4.41 1.83 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.60 0.77 0.00 0.00 83 V 9.13 4.31 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 1.08 0.00 0.00 1.01 0.00 0.00 84 C 8.66 4.72 0.00 2.86 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 85 E 8.95 4.44 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 2.36 2.32 0.00 86 K 7.92 4.47 0.00 1.80 1.69 0.00 1.79 0.00 0.00 1.79 0.00 0.00 2.88 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.63 1.40 7.81 *88 G 8.29 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 0.00 0.00 0.00 89 T 8.69 4.17 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 90 S 8.52 4.09 0.00 3.87 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 91 C 8.13 4.25 0.00 2.95 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 92 E 8.17 4.00 0.00 2.30 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 0.00 2.54 2.53 0.00 93 N 8.39 4.27 0.00 2.84 2.83 0.00 0.00 7.06 8.14 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 94 R 7.98 3.95 0.00 1.82 1.92 0.00 3.10 0.00 0.00 3.13 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.74 0.00 95 I 8.06 3.63 2.02 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.60 0.96 0.00 0.00 96 C 7.91 2.81 0.00 2.22 2.73 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 97 E 8.01 3.91 0.00 2.07 1.89 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 2.44 2.42 0.00 98 C 8.06 4.16 0.00 3.20 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 99 D 8.02 3.82 0.00 2.71 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 0.00 100 K 8.22 3.68 0.00 1.61 1.88 0.00 1.56 0.00 0.00 1.72 0.00 0.00 2.90 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.35 1.38 7.81 101 A 7.81 3.85 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 0.00 102 A 7.79 3.50 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.23 3.88 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 0.00 104 I 7.82 3.62 1.94 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 1.38 0.74 0.88 0.00 0.00 105 C 7.99 4.03 0.00 2.91 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 0.00 106 F 8.19 4.66 0.00 3.02 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 0.00 107 R 8.15 3.94 0.00 1.96 2.14 0.00 3.17 0.00 0.00 3.33 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.71 0.00 108 Q 8.28 4.18 0.00 2.18 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.83 0.00 0.00 0.00 0.00 0.00 2.39 2.41 0.00 109 N 7.74 5.08 0.00 3.01 2.86 0.00 0.00 6.82 6.62 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 0.00 110 L 8.01 4.11 0.00 1.78 1.76 0.93 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 111 N 8.28 4.56 0.00 2.86 3.00 0.00 0.00 5.77 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 0.00 112 T 7.97 4.65 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 1.27 0.00 0.00 113 Y 7.87 4.14 0.00 3.03 3.02 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 0.00 0.00 0.00 114 S 8.76 4.68 0.00 3.67 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 0.00 115 K 8.86 4.04 0.00 1.82 1.89 0.00 1.71 0.00 0.00 1.92 0.00 0.00 3.00 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.73 1.63 7.81 116 K 7.68 3.91 0.00 1.61 1.70 0.00 1.21 0.00 0.00 1.41 0.00 0.00 2.13 0.00 0.00 2.73 0.00 0.00 0.00 0.00 0.60 0.29 7.81 117 Y 7.25 4.44 0.00 1.56 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 0.00 0.00 0.00 118 M 7.60 4.39 0.00 2.06 2.11 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 2.73 2.67 0.00 119 L 8.41 3.67 0.00 1.81 1.74 0.92 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 120 Y 7.70 4.19 0.00 3.00 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 0.00 121 P 0.00 4.37 0.00 2.18 2.01 0.00 2.60 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 2.00 0.00 122 D 8.81 4.26 0.00 2.72 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 *124 F 7.83 4.74 0.00 3.23 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 0.00 125 L 6.85 3.78 0.00 1.09 1.50 0.37 0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 126 C 8.03 4.74 0.00 3.05 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 0.00 127 K 8.43 4.60 0.00 1.91 1.88 0.00 1.50 0.00 0.00 1.84 0.00 0.00 2.96 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.37 1.41 7.81 128 G 8.91 4.20 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 0.00 129 E 8.43 4.67 0.00 2.16 2.04 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 2.28 2.33 0.00 130 L 8.45 4.69 0.00 1.53 1.64 0.78 -0.35 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 0.00 131 K 8.48 4.11 0.00 1.90 1.75 0.00 1.77 0.00 0.00 1.84 0.00 0.00 2.94 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.57 1.50 7.81 *133 C 8.55 4.91 0.00 2.94 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 * Residues marked with a * may have inaccurate shift predictions.