NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *1 M 4.4730 8.3049 118.8004 54.9711 32.6712 175.4120 2 S 4.4678 8.7847 115.2814 59.5645 64.1140 173.1335 3 F 4.2845 8.0597 119.2762 55.3411 42.2042 173.8116 4 R 4.7413 8.4698 123.7750 55.0282 30.9665 176.1081 5 F 5.0404 9.0213 128.3657 56.2693 40.5695 175.1100 6 G 3.9525 8.3632 118.3948 46.0537 0.0000 171.8365 7 Q 4.6063 8.3412 121.6202 55.3313 29.1827 174.5831 8 H 5.0394 7.5445 112.2719 53.7808 31.7032 171.9659 9 L 4.9184 8.4997 121.2098 54.2754 42.5209 175.9445 10 I 4.5224 8.8877 124.5607 59.4826 39.2954 175.3985 11 K 4.3173 8.6677 126.8135 55.6821 32.7213 176.4979 12 P 4.2821 0.0000 0.0000 65.5802 31.7898 178.7286 13 S 4.1010 8.2357 112.3813 60.6574 63.2528 175.7478 14 V 4.2615 8.1054 113.0245 60.8207 31.8901 174.9192 15 V 4.4553 7.6669 121.4842 61.2618 32.1518 175.3989 16 F 4.8864 7.9711 120.9072 56.4070 38.8993 175.0009 17 L 4.1617 6.6252 121.9839 54.0279 44.6346 173.6652 18 K 4.8574 8.1534 124.9181 55.5374 34.6889 174.9462 19 T 4.8507 8.7524 117.5997 59.7572 71.3730 173.8696 20 E 4.1059 8.8948 120.5782 59.1941 29.8101 177.8911 21 L 4.9078 7.6893 112.1264 54.0681 44.7446 176.1880 22 S 5.3538 8.8506 114.8502 57.1571 67.8799 172.4314 23 F 5.1968 8.6004 113.4612 55.9917 41.2862 173.1155 24 A 4.7468 8.3401 121.8377 49.8279 21.9520 175.1525 25 L 5.1735 8.2723 120.2807 54.1179 44.4041 176.1609 26 V 4.4995 8.2364 113.0411 60.6430 33.1654 175.5755 27 N 4.6728 7.6835 119.8646 52.1858 39.8732 175.8736 28 R 3.8537 8.5181 121.0592 58.5446 30.7052 175.9167 29 K 4.7929 7.4542 116.2351 53.1769 32.2500 173.3704 30 P 4.2853 0.0000 0.0000 62.5446 32.2268 177.9590 31 V 3.8684 8.6164 120.5806 65.0399 32.1993 176.4332 32 V 4.4673 7.2353 117.3453 58.8797 34.1348 172.1588 33 P 4.1463 0.0000 0.0000 64.4346 31.3952 176.8317 34 G 2.4855 7.9002 111.1468 44.2762 0.0000 172.2705 35 H 4.3192 7.9357 120.5298 56.8136 30.7562 174.5214 36 V 4.8538 8.7914 118.5307 59.4686 36.3200 174.5578 37 L 5.1454 8.7279 120.8911 52.9458 45.3616 176.1214 38 V 4.3503 8.2581 122.6904 61.3222 33.8167 174.1109 39 C 5.1737 8.0754 125.4904 56.8509 31.9751 172.2652 40 P 4.7794 0.0000 0.0000 62.3456 31.9101 176.6496 41 L 4.4346 9.1568 121.3260 57.8114 41.7627 178.1621 42 R 4.0998 7.9281 119.1877 54.9228 30.3682 174.3057 43 P 3.9829 0.0000 0.0000 62.2376 30.4196 175.5190 44 V 4.4296 7.6775 117.9198 59.6677 34.3568 176.8739 45 E 4.1648 8.7233 123.3173 57.9776 30.2609 176.9367 46 R 4.9235 7.5478 115.0669 53.7700 33.6039 176.3462 47 F 4.5533 9.6441 123.8417 61.6460 39.5284 177.2278 48 H 4.1857 8.0467 114.6613 57.9354 28.4938 176.0146 49 D 4.4947 7.6182 119.1803 55.9437 40.9338 176.6342 50 L 4.4340 7.4218 119.6820 54.1432 42.5691 177.7400 51 R 4.2111 8.7360 121.5954 55.2246 32.1116 176.2289 52 P 4.2849 0.0000 0.0000 66.0048 31.2164 178.7581 53 D 4.3933 8.0361 117.4537 56.4584 39.4547 178.3750 54 E 3.9992 8.1633 119.5675 58.9238 29.5273 179.3651 55 V 3.8462 7.9094 118.2691 66.0068 31.7118 177.8827 56 A 4.0839 8.2193 120.6324 55.3154 18.1597 179.1517 57 D 4.2578 8.3843 116.6084 57.2803 41.3394 177.8322 58 L 3.7492 8.5139 121.4887 58.4650 42.0265 178.9414 59 F 4.2696 8.1765 116.6838 59.8200 39.1512 178.1735 60 Q 4.0888 8.7057 118.5005 59.1106 28.4094 178.7564 61 T 3.8960 8.2710 117.2362 66.9993 68.4752 176.8802 62 T 3.9030 7.8780 117.5831 66.4362 68.2981 176.5834 63 Q 3.9817 8.0063 121.6182 59.1871 29.2677 178.3228 64 R 4.0118 7.9645 118.8378 59.3506 30.1200 179.1422 65 V 4.1418 8.2662 118.2351 66.2218 31.5778 178.1331 66 G 3.8248 8.5411 105.4354 48.2325 0.0000 175.6479 67 T 3.9052 7.8971 117.6692 66.3446 68.4174 176.8313 68 V 3.1826 7.6487 119.6542 66.1745 31.5943 178.6139 69 V 3.7658 8.0799 112.1258 64.0546 31.2856 178.2993 70 E 3.9195 8.2399 119.5389 59.5423 29.4789 178.0453 71 K 3.8605 7.9470 119.8308 59.0238 31.8924 177.8560 72 H 3.7971 7.9793 120.4910 59.4452 29.8874 176.5672 73 F 4.3945 7.9223 114.1399 57.2509 38.7803 175.1965 74 H 3.9287 7.6572 116.7648 56.8336 26.3126 174.9326 75 G 4.0696 8.3176 107.4525 44.8293 0.0000 174.0801 76 T 4.5505 8.9481 108.5955 61.6600 70.6014 173.6082 77 S 4.6959 7.5853 117.2486 58.5771 67.6178 172.6362 78 L 4.8906 8.2493 118.5228 54.1292 45.6993 175.6633 79 T 4.6474 8.5461 118.9847 61.7444 71.3764 173.1781 80 F 5.5189 8.7590 124.1378 56.1656 42.3160 174.7731 81 S 4.3818 8.6152 115.8925 58.2101 66.4285 173.4450 *83 Q 4.3108 8.6179 117.5489 56.6161 28.2396 173.9227 84 D 4.5531 8.2903 122.2862 52.4000 40.3122 174.8907 85 G 4.3017 8.4395 111.2320 42.2995 0.0000 171.2418 86 P 4.2882 0.0000 0.0000 65.3512 31.4141 177.6716 87 E 4.3050 8.1872 115.5721 56.8056 29.6504 176.4015 88 A 4.4638 8.0926 121.2050 51.7552 19.6665 177.8122 89 G 3.8911 7.8263 104.7465 44.7993 0.0000 173.6407 90 Q 4.0269 7.8667 120.9396 56.5424 29.2251 175.8662 91 T 4.1293 8.7192 116.2810 63.7058 69.6638 175.1940 92 V 4.0417 7.5253 120.9955 60.8451 33.0414 176.6339 93 K 4.3470 8.2053 128.7788 54.8177 30.5356 175.8960 94 H 4.9550 7.5609 117.4988 54.2845 33.3074 172.8764 95 V 3.9224 8.5225 127.9809 64.1643 31.7382 174.8156 96 H 4.9052 8.5104 120.5068 54.7344 31.2238 172.8103 97 V 4.4127 8.4342 121.2607 61.8376 33.7305 174.1018 98 H 4.9940 9.3800 125.4439 54.7161 30.6728 174.2428 99 V 4.2534 8.7336 123.3854 61.0766 33.9277 174.1446 100 L 4.8782 8.1267 128.3394 51.9812 44.5826 174.5711 101 P 4.4880 0.0000 0.0000 62.6356 32.0128 176.0419 102 R 4.9929 9.0558 123.5656 54.3893 33.0864 175.1799 103 K 4.9763 8.9837 119.5874 54.1868 36.1157 175.7597 104 A 3.7360 8.8178 124.0153 53.9623 18.5466 177.1907 105 G 3.8150 8.7777 113.4953 45.9039 0.0000 171.2726 106 D 4.7081 7.4999 121.5215 51.4608 43.2875 175.2276 *129 W 5.0993 8.4667 127.8528 57.7401 31.4158 174.0796 130 R 4.0758 6.0941 120.2808 54.4132 32.1943 174.4587 131 S 4.1786 7.9377 114.0966 57.7997 64.0188 175.0594 132 E 3.9187 8.8959 120.5872 59.4158 29.7503 178.4617 133 E 4.1174 8.1359 119.3057 58.9708 30.1889 178.7980 134 E 4.0439 7.9538 115.8372 56.6803 28.8294 178.5203 *136 A 4.7527 8.3312 123.3005 52.2835 20.9425 179.9671 137 A 3.9323 8.1701 118.0216 55.4510 18.4287 179.4843 138 E 3.8998 8.2592 117.6706 59.3567 29.7164 178.8732 139 A 4.0001 8.0103 120.1705 54.7389 18.2513 179.3625 140 A 3.9553 7.8503 118.7944 55.1292 18.8064 179.3573 141 A 4.0276 7.8828 119.1869 55.5157 18.4943 179.9543 142 L 4.1524 7.8375 117.3410 57.9934 41.4709 179.9567 143 R 4.5455 8.3555 117.8009 58.9274 29.6825 179.1645 144 V 3.6149 7.4179 117.4691 65.8862 31.6018 176.9815 145 Y 4.0519 7.7772 113.7478 59.0767 37.7399 175.8368 146 F 4.3889 7.8384 124.3231 57.4707 39.3543 175.3699 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 M 8.30 4.47 0.00 2.05 1.93 0.00 0.00 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.14 0.00 2 S 8.78 4.47 0.00 3.23 3.60 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 3 F 8.06 4.28 0.00 2.96 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 0.00 0.00 0.00 4 R 8.47 4.74 0.00 1.82 1.88 0.00 3.19 0.00 0.00 3.19 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.66 0.00 5 F 9.02 5.04 0.00 3.24 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 6 G 8.36 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 0.00 0.00 0.00 7 Q 8.34 4.61 0.00 1.95 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.06 6.71 0.00 0.00 0.00 0.00 0.00 2.23 2.23 0.00 8 H 7.54 5.04 0.00 3.17 3.38 0.00 5.27 0.00 0.00 0.00 0.00 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 L 8.50 4.92 0.00 1.60 1.77 0.93 0.90 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 10 I 8.89 4.52 2.04 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.67 0.95 0.00 0.00 11 K 8.67 4.32 0.00 1.75 1.77 0.00 1.71 0.00 0.00 1.84 0.00 0.00 2.85 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.56 1.51 7.81 12 P 0.00 4.28 0.00 2.25 2.33 0.00 3.67 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 2.19 2.27 0.00 13 S 8.24 4.10 0.00 4.01 4.15 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 0.00 0.00 0.00 14 V 8.11 4.26 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 0.86 0.00 0.00 0.96 0.00 0.00 15 V 7.67 4.46 1.76 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 0.25 0.00 0.00 0.35 0.00 0.00 16 F 7.97 4.89 0.00 3.23 3.16 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 17 L 6.63 4.16 0.00 0.71 0.65 0.59 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 18 K 8.15 4.86 0.00 1.71 1.64 0.00 2.21 0.00 0.00 1.88 0.00 0.00 2.87 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.41 1.73 7.81 19 T 8.75 4.85 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 1.18 0.00 0.00 20 E 8.89 4.11 0.00 1.97 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 2.31 2.35 0.00 21 L 7.69 4.91 0.00 1.80 1.65 0.98 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 22 S 8.85 5.35 0.00 3.61 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 23 F 8.60 5.20 0.00 2.84 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 24 A 8.34 4.75 0.29 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 25 L 8.27 5.17 0.00 1.69 1.58 0.52 -0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 26 V 8.24 4.50 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 0.74 0.00 0.00 0.92 0.00 0.00 27 N 7.68 4.67 0.00 2.56 2.69 0.00 0.00 6.91 7.54 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 28 R 8.52 3.85 0.00 1.83 1.91 0.00 2.21 0.00 0.00 2.74 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.68 0.00 29 K 7.45 4.79 0.00 1.77 1.74 0.00 1.92 0.00 0.00 1.86 0.00 0.00 3.24 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.51 1.54 7.81 30 P 0.00 4.29 0.00 2.27 1.92 0.00 3.68 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 1.92 1.84 0.00 31 V 8.62 3.87 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 0.78 0.00 0.00 0.96 0.00 0.00 32 V 7.24 4.47 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 0.67 0.00 0.00 0.87 0.00 0.00 33 P 0.00 4.15 0.00 2.00 2.04 0.00 3.59 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 2.02 2.07 0.00 34 G 7.90 2.49 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 0.00 35 H 7.94 4.32 0.00 3.23 3.09 0.00 5.55 0.00 0.00 0.00 0.00 6.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 V 8.79 4.85 2.45 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 0.68 0.00 0.00 1.05 0.00 0.00 37 L 8.73 5.15 0.00 1.13 1.14 0.50 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 38 V 8.26 4.35 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 0.82 0.00 0.00 0.83 0.00 0.00 39 C 8.08 5.17 0.00 2.32 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 P 0.00 4.78 0.00 2.27 2.12 0.00 4.15 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 2.25 2.09 0.00 41 L 9.16 4.43 0.00 1.82 1.85 1.08 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 42 R 7.93 4.10 0.00 1.81 1.88 0.00 3.24 0.00 0.00 3.29 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.63 0.00 43 P 0.00 3.98 0.00 2.19 2.17 0.00 3.78 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 1.98 2.00 0.00 44 V 7.68 4.43 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 0.78 0.00 0.00 0.96 0.00 0.00 45 E 8.72 4.16 0.00 1.91 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 2.28 2.32 0.00 46 R 7.55 4.92 0.00 1.74 1.69 0.00 3.38 0.00 0.00 3.13 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.69 0.00 47 F 9.64 4.55 0.00 3.05 3.11 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 48 H 8.05 4.19 0.00 3.24 3.40 0.00 5.58 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 49 D 7.62 4.49 0.00 2.88 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 50 L 7.42 4.43 0.00 1.75 1.61 1.04 1.21 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 51 R 8.74 4.21 0.00 2.06 1.84 0.00 3.15 0.00 0.00 3.17 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.83 0.00 52 P 0.00 4.28 0.00 2.15 2.11 0.00 3.59 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.13 0.00 53 D 8.04 4.39 0.00 2.89 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 54 E 8.16 4.00 0.00 2.25 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 2.44 2.39 0.00 55 V 7.91 3.85 2.33 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 1.27 0.00 0.00 0.96 0.00 0.00 56 A 8.22 4.08 1.42 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 57 D 8.38 4.26 0.00 2.85 2.70 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 58 L 8.51 3.75 0.00 1.84 1.71 0.69 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.43 0.00 0.00 0.00 0.00 0.00 0.00 59 F 8.18 4.27 0.00 3.17 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 60 Q 8.71 4.09 0.00 2.08 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.81 0.00 0.00 0.00 0.00 0.00 2.42 2.60 0.00 61 T 8.27 3.90 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 1.08 0.00 0.00 62 T 7.88 3.90 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 1.35 0.00 0.00 63 Q 8.01 3.98 0.00 2.28 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.81 0.00 0.00 0.00 0.00 0.00 2.40 2.41 0.00 64 R 7.96 4.01 0.00 2.28 2.29 0.00 3.27 0.00 0.00 3.19 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.88 0.00 65 V 8.27 4.14 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 1.37 0.00 0.00 0.97 0.00 0.00 66 G 8.54 3.82 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 0.00 0.00 0.00 67 T 7.90 3.91 4.45 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 1.19 0.00 0.00 68 V 7.65 3.18 2.29 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 0.79 0.00 0.00 0.42 0.00 0.00 69 V 8.08 3.77 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 0.74 0.00 0.00 1.03 0.00 0.00 70 E 8.24 3.92 0.00 2.16 2.05 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 2.42 2.42 0.00 71 K 7.95 3.86 0.00 1.97 1.57 0.00 1.64 0.00 0.00 1.43 0.00 0.00 3.01 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.34 1.37 7.81 72 H 7.98 3.80 0.00 2.30 2.92 0.00 5.99 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 F 7.92 4.39 0.00 3.24 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 74 H 7.66 3.93 0.00 3.31 3.39 0.00 5.84 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 G 8.32 4.07 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 0.00 76 T 8.95 4.55 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 77 S 7.59 4.70 0.00 3.74 3.78 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 78 L 8.25 4.89 0.00 1.36 0.84 1.11 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 79 T 8.55 4.65 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 1.18 0.00 0.00 80 F 8.76 5.52 0.00 2.91 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 81 S 8.62 4.38 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 *83 Q 8.62 4.31 0.00 2.12 2.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.00 7.28 0.00 0.00 0.00 0.00 0.00 2.28 2.41 0.00 84 D 8.29 4.55 0.00 2.64 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 85 G 8.44 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 86 P 0.00 4.29 0.00 2.24 2.34 0.00 3.71 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.00 0.00 87 E 8.19 4.31 0.00 1.98 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 2.30 2.37 0.00 88 A 8.09 4.46 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 89 G 7.83 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 90 Q 7.87 4.03 0.00 2.31 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.96 0.00 0.00 0.00 0.00 0.00 2.39 2.41 0.00 91 T 8.72 4.13 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 1.25 0.00 0.00 92 V 7.53 4.04 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 0.05 0.00 0.00 0.79 0.00 0.00 93 K 8.21 4.35 0.00 1.74 1.74 0.00 1.78 0.00 0.00 1.79 0.00 0.00 2.97 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.42 1.39 7.81 94 H 7.56 4.96 0.00 2.92 2.97 0.00 5.77 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 V 8.52 3.92 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 0.92 0.00 0.00 1.11 0.00 0.00 96 H 8.51 4.91 0.00 3.04 3.29 0.00 5.56 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 V 8.43 4.41 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 1.13 0.00 0.00 0.54 0.00 0.00 98 H 9.38 4.99 0.00 3.19 3.16 0.00 5.61 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 V 8.73 4.25 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 0.76 0.00 0.00 1.10 0.00 0.00 100 L 8.13 4.88 0.00 1.47 1.35 0.75 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 101 P 0.00 4.49 0.00 1.85 1.96 0.00 3.53 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 1.93 2.02 0.00 102 R 9.06 4.99 0.00 1.61 1.76 0.00 3.17 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 1.58 1.62 0.00 103 K 8.98 4.98 0.00 1.73 1.72 0.00 1.65 0.00 0.00 1.56 0.00 0.00 2.94 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.32 1.23 7.81 104 A 8.82 3.74 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 0.00 105 G 8.78 3.82 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 0.00 0.00 0.00 106 D 7.50 4.71 0.00 2.71 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 *129 W 8.47 5.10 0.00 3.39 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 0.00 130 R 6.09 4.08 0.00 1.47 1.57 0.00 2.93 0.00 0.00 3.15 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 1.30 0.00 131 S 7.94 4.18 0.00 3.91 4.07 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 0.00 132 E 8.90 3.92 0.00 1.98 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 2.33 2.34 0.00 133 E 8.14 4.12 0.00 2.00 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 2.37 2.33 0.00 134 E 7.95 4.04 0.00 2.07 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 2.28 2.31 0.00 *136 A 8.33 4.75 1.32 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 0.00 137 A 8.17 3.93 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 0.00 138 E 8.26 3.90 0.00 2.11 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 2.35 2.52 0.00 139 A 8.01 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 0.00 140 A 7.85 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 0.00 141 A 7.88 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 0.00 142 L 7.84 4.15 0.00 1.30 1.43 0.04 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 143 R 8.36 4.55 0.00 2.14 2.11 0.00 3.19 0.00 0.00 3.15 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.10 0.00 144 V 7.42 3.61 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 0.52 0.00 0.00 0.91 0.00 0.00 145 Y 7.78 4.05 0.00 2.65 2.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 146 F 7.84 4.39 0.00 3.09 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 * Residues marked with a * may have inaccurate shift predictions.