NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 E 4.2455 8.4331 118.8088 57.5364 30.7632 175.7282 3 G 3.6829 9.2436 110.9654 44.5760 0.0000 172.1685 4 F 4.7217 7.6844 119.0472 54.7521 42.2974 172.0629 5 P 4.4383 0.0000 0.0000 64.7216 31.8910 176.5811 6 V 4.7122 7.6793 119.3021 60.9411 34.7282 174.6199 7 R 5.3428 8.5389 122.4011 54.9815 32.4760 174.3860 8 V 4.6425 9.0114 114.0306 59.7571 36.2634 174.3886 9 R 4.8570 8.5332 122.4987 55.0177 31.6916 175.7747 10 V 4.3217 7.7396 123.3132 59.9599 34.4802 174.3790 11 D 4.6015 8.3079 123.1173 52.2908 42.2232 176.5002 12 V 3.6974 8.1832 124.5090 62.8628 32.3335 175.3253 13 R 4.6919 8.8318 126.1169 54.2044 32.3238 177.1486 14 F 4.1254 8.8462 122.6017 61.4349 39.5303 177.4513 15 R 3.9901 8.0761 119.0970 58.9040 30.1465 176.8611 16 D 4.4760 8.1143 117.2330 55.9521 41.2032 176.2397 17 L 4.6392 7.2721 119.3703 53.9466 42.5186 176.5384 18 D 4.5914 8.7382 122.5020 52.8129 41.7556 175.7827 19 P 4.1689 0.0000 0.0000 65.9677 31.2358 177.8708 20 L 4.0848 7.6230 114.9855 55.6093 41.6833 177.3988 21 G 3.8998 8.4381 107.5747 45.4346 0.0000 172.7349 22 H 5.2381 7.4215 113.3754 52.7638 32.4337 172.7187 23 V 4.0669 8.6964 120.5095 63.0060 32.0359 175.4466 24 N 5.0017 9.4052 127.2315 52.9812 39.8714 175.2935 25 N 4.0297 9.0811 122.5538 56.1871 37.5574 176.9861 26 A 4.1647 7.9874 120.1449 54.6918 18.5530 179.5639 27 V 3.4746 7.7303 116.3888 65.9063 31.7689 178.1584 28 F 3.5619 7.9388 116.7978 60.4404 38.4996 177.5478 29 L 3.9000 7.8429 117.5893 57.7134 41.5574 179.3802 30 S 4.4116 7.4237 113.7149 61.3143 62.8222 176.0764 31 Y 4.6250 7.5923 117.0683 58.7567 37.3366 177.2913 *33 E 4.2914 8.1344 123.3483 56.1620 31.8912 177.4723 34 L 3.9725 7.8668 119.5552 58.0879 42.0178 178.9361 35 A 3.9778 7.6250 119.7092 55.1451 18.3105 179.5572 36 R 3.5270 7.8695 116.7523 59.5726 30.1412 178.6381 37 I 3.8708 8.1516 120.0486 64.3898 36.8547 178.4299 38 R 3.8414 7.6784 118.3574 59.3697 30.1519 177.6909 39 Y 4.1411 7.9837 119.6393 60.6607 38.8498 177.7240 40 F 4.9554 8.7026 119.2552 60.7064 38.8423 177.2793 41 Q 4.3895 8.4337 116.3160 57.8479 28.5158 177.6628 42 R 4.5195 7.8661 118.0192 56.0996 31.3182 177.1583 43 I 4.3466 7.4509 110.2364 60.8511 39.3975 175.3111 *46 D 4.3832 7.7734 120.5075 54.1919 42.0315 176.9737 47 W 4.4203 7.8803 117.3043 59.1481 29.0694 178.8138 48 L 3.6471 6.9815 118.4075 57.1883 41.2688 177.2887 49 E 4.3122 7.8880 116.6975 55.4825 29.5646 175.9405 50 E 4.1792 9.0138 117.7986 57.7252 27.5707 175.8565 51 G 4.0389 9.1395 103.1772 46.6634 0.0000 174.8533 52 H 3.8063 8.0040 114.4916 55.6212 26.5569 174.3582 53 F 5.1954 7.7814 117.9778 56.1975 40.5987 175.5992 54 V 4.6687 8.6248 116.6638 59.4097 35.5484 175.1056 55 V 4.2254 8.5525 123.5958 62.9523 31.2302 175.3316 56 A 4.4951 9.0606 130.7701 53.8885 20.4415 176.0175 57 R 4.3179 7.4736 113.3992 55.8548 34.0524 173.0116 *59 E 4.4338 8.5829 117.9051 56.3612 30.9448 175.3205 60 V 4.6417 8.3118 124.1683 60.9593 34.4575 174.0919 61 D 4.7256 8.7805 128.0401 52.8700 42.9361 175.0997 62 Y 4.3311 8.4954 122.1703 56.9759 37.7991 175.2754 63 L 4.3906 8.8548 126.0967 56.6319 42.7465 178.2462 64 R 4.7172 7.7162 114.8864 53.7028 34.1737 173.0119 65 P 4.6585 0.0000 0.0000 62.8035 32.5048 175.5802 66 I 4.6417 8.5892 123.2061 59.8735 39.5576 174.9523 67 L 4.9965 9.2667 126.7972 52.3386 44.8573 175.8925 68 L 4.1217 8.3357 122.6914 56.7491 42.4417 177.4898 69 G 3.9950 8.8393 113.8210 45.2987 0.0000 173.5245 70 D 4.4785 7.4684 119.1993 54.2067 41.5492 175.4838 71 E 4.1664 9.2356 124.3432 55.3788 30.8582 174.9678 72 V 5.2032 7.7653 126.9596 60.3360 34.2074 174.2210 73 F 5.2883 8.3141 123.9382 55.6745 43.3898 174.0701 74 V 4.7535 9.0675 121.4522 61.2585 34.4833 174.6549 75 G 4.3658 8.8251 115.3353 44.5671 0.0000 172.4140 76 V 5.4195 8.7579 119.7857 60.2750 35.0034 173.9459 77 R 5.0205 8.6820 118.4882 55.3247 32.7937 174.2028 78 T 4.3973 9.0013 117.9940 62.8615 69.0902 175.4579 79 V 4.2717 9.1278 119.1971 61.0131 33.2354 175.9826 80 G 4.1028 7.4487 107.7395 44.2298 0.0000 172.1001 81 L 4.8980 8.5136 124.2481 53.0835 44.7400 175.8137 82 G 4.1117 8.5817 120.5879 45.8473 0.0000 173.2847 83 R 4.1794 8.2717 120.2360 57.2544 30.9681 177.4393 84 S 5.0615 8.1286 110.6330 57.3916 65.0677 172.8904 85 S 5.5072 7.9878 115.5976 56.9035 66.3983 172.6285 86 L 5.0809 8.9361 121.9357 53.5912 45.3968 175.2993 87 R 5.2557 8.8413 125.9483 53.7603 33.5696 174.0009 *89 E 4.5438 8.3885 121.7365 56.3861 31.2052 173.8197 90 H 5.4464 9.5052 123.5299 53.8642 32.5131 172.3111 91 L 4.9780 8.8080 124.9607 53.2434 44.8304 174.9120 92 V 4.8427 8.7824 127.2478 61.5055 33.5716 174.5359 93 T 5.1896 9.0321 117.9010 59.9587 72.3083 172.8811 94 A 4.8536 9.0453 124.7947 50.4992 21.9682 176.1480 95 N 4.2960 10.3114 122.1051 54.6106 36.7444 176.0885 96 G 4.0095 8.5433 105.6181 45.4389 0.0000 173.7229 97 E 4.5264 7.7864 120.7978 54.3802 31.0347 175.2840 98 S 4.4551 8.6021 120.9536 58.7736 63.6204 173.7683 99 A 4.8301 9.2546 126.2358 52.9287 21.7773 175.9809 100 A 4.8684 7.6295 113.9077 50.9189 22.8133 175.2852 101 K 4.8537 8.8258 122.1182 54.4643 35.5595 175.1230 102 G 4.3498 9.2278 114.2675 44.3253 0.0000 171.2197 103 L 5.1052 9.1707 125.6452 52.9047 43.4418 176.2169 104 G 4.2370 8.7480 110.8059 44.2720 0.0000 171.6096 105 V 4.6925 8.9013 123.6274 61.0768 33.4881 174.3530 106 L 5.2988 9.1291 128.7339 53.2052 44.3449 175.7403 107 V 5.0012 9.0681 122.6326 60.8013 34.6980 174.2531 108 W 4.4167 9.6190 135.0000 57.1394 31.6350 174.6965 109 L 5.2404 7.7096 126.9185 52.9327 44.3816 176.1256 110 E 4.2002 8.8029 121.7482 55.6623 32.6370 176.2661 111 G 3.5904 9.4223 111.6462 46.3566 0.0000 174.0418 112 G 3.8757 8.3448 105.1638 45.2250 0.0000 174.0221 113 R 4.7115 7.4323 117.7105 52.9584 33.4970 173.4671 114 P 4.8238 0.0000 0.0000 63.2259 31.7459 175.7080 115 A 4.8608 8.8107 122.3902 49.6137 23.1756 173.7772 116 P 4.5085 0.0000 0.0000 62.6726 31.9628 176.5468 117 L 3.1540 8.4596 124.6939 54.2183 42.2784 175.8924 118 P 4.1477 0.0000 0.0000 62.0843 32.1774 177.1208 119 E 3.8676 8.6935 121.3256 59.2727 29.1636 179.0956 120 A 4.3013 7.7644 121.8046 54.7040 18.4426 179.5543 121 I 3.7325 7.4688 117.7033 64.3737 37.2210 178.5927 122 R 3.9533 7.8450 119.1711 59.3018 29.7846 178.9746 123 E 3.9698 8.3713 117.4264 59.5165 29.6231 179.4217 124 R 3.9312 7.8016 118.7701 58.8819 29.9632 179.1667 125 I 3.8131 7.8775 119.8550 64.4493 37.1016 178.6034 126 R 4.0832 8.5139 120.1932 58.6083 29.6236 179.0646 127 A 3.9510 7.9728 119.8342 54.9343 18.4714 179.1010 128 L 3.9733 7.7163 117.7482 58.4551 42.2806 178.8159 129 E 4.2092 8.4448 117.1662 56.6254 29.7050 176.9056 130 G 3.8876 8.5991 106.6162 46.1553 0.0000 173.5213 131 R 4.6796 7.4877 115.8658 53.6043 34.5041 173.8807 132 P 4.4268 0.0000 0.0000 63.1638 31.5793 176.1332 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 E 8.43 4.25 0.00 2.12 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 2.21 2.39 0.00 3 G 9.24 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 4 F 7.68 4.72 0.00 2.97 3.01 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 5 P 0.00 4.44 0.00 2.19 2.31 0.00 3.96 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 2.36 2.29 0.00 6 V 7.68 4.71 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 1.09 0.00 0.00 0.94 0.00 0.00 7 R 8.54 5.34 0.00 1.84 1.83 0.00 3.19 0.00 0.00 3.14 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.72 0.00 8 V 9.01 4.64 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 0.71 0.00 0.00 0.91 0.00 0.00 9 R 8.53 4.86 0.00 1.79 1.71 0.00 3.02 0.00 0.00 3.18 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 1.02 0.00 10 V 7.74 4.32 1.68 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 0.28 0.00 0.00 -0.16 0.00 0.00 11 D 8.31 4.60 0.00 2.59 2.55 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 0.00 0.00 0.00 12 V 8.18 3.70 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 0.82 0.00 0.00 0.85 0.00 0.00 13 R 8.83 4.69 0.00 2.12 1.87 0.00 3.23 0.00 0.00 3.13 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.73 0.00 14 F 8.85 4.13 0.00 3.08 3.09 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 0.00 0.00 0.00 0.00 15 R 8.08 3.99 0.00 1.87 1.99 0.00 3.39 0.00 0.00 3.25 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.72 0.00 16 D 8.11 4.48 0.00 2.89 2.64 0.00 0.00 0.00 0.00 0.00 0.00 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 7.27 4.64 0.00 1.32 1.38 0.80 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 18 D 8.74 4.59 0.00 2.50 2.44 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 19 P 0.00 4.17 0.00 1.99 2.10 0.00 3.60 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 1.99 2.07 0.00 20 L 7.62 4.08 0.00 1.56 1.72 0.95 0.96 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 21 G 8.44 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 0.00 0.00 0.00 22 H 7.42 5.24 0.00 3.20 3.40 0.00 5.47 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 23 V 8.70 4.07 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 0.23 0.00 0.00 0.97 0.00 0.00 24 N 9.41 5.00 0.00 2.92 2.68 0.00 0.00 6.80 6.59 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 25 N 9.08 4.03 0.00 2.27 2.62 0.00 0.00 6.11 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 26 A 7.99 4.16 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 27 V 7.73 3.47 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 0.60 0.00 0.00 0.86 0.00 0.00 28 F 7.94 3.56 0.00 3.50 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 L 7.84 3.90 0.00 1.85 1.75 1.03 0.95 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 30 S 7.42 4.41 0.00 4.07 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 31 Y 7.59 4.63 0.00 3.09 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 *33 E 8.13 4.29 0.00 2.17 2.24 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 2.34 2.37 0.00 34 L 7.87 3.97 0.00 1.79 1.79 0.89 1.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 35 A 7.62 3.98 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 36 R 7.87 3.53 0.00 1.75 1.91 0.00 2.93 0.00 0.00 3.23 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.63 0.84 0.00 37 I 8.15 3.87 1.90 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.59 0.99 0.00 0.00 38 R 7.68 3.84 0.00 2.00 2.03 0.00 3.40 0.00 0.00 3.11 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.72 0.00 39 Y 7.98 4.14 0.00 3.10 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 40 F 8.70 4.96 0.00 3.40 3.19 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 41 Q 8.43 4.39 0.00 2.22 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.79 0.00 0.00 0.00 0.00 0.00 2.28 2.48 0.00 42 R 7.87 4.52 0.00 1.79 1.88 0.00 3.06 0.00 0.00 3.13 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.70 0.00 43 I 7.45 4.35 2.01 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.13 0.85 0.00 0.00 *46 D 7.77 4.38 0.00 2.75 2.58 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 47 W 7.88 4.42 0.00 3.67 3.46 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 0.00 0.00 0.00 0.00 48 L 6.98 3.65 0.00 1.14 1.44 0.55 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.25 0.00 0.00 0.00 0.00 0.00 0.00 49 E 7.89 4.31 0.00 1.68 1.75 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 2.28 2.08 0.00 50 E 9.01 4.18 0.00 2.40 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 0.00 2.43 2.35 0.00 51 G 9.14 4.04 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 0.00 0.00 0.00 52 H 8.00 3.81 0.00 1.89 2.33 0.00 5.80 0.00 0.00 0.00 0.00 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 F 7.78 5.20 0.00 3.13 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 54 V 8.62 4.67 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 0.68 0.00 0.00 1.05 0.00 0.00 55 V 8.55 4.23 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 0.79 0.00 0.00 1.02 0.00 0.00 56 A 9.06 4.50 1.36 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 57 R 7.47 4.32 0.00 1.89 1.80 0.00 3.23 0.00 0.00 3.35 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.66 0.00 *59 E 8.58 4.43 0.00 1.97 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 2.29 2.32 0.00 60 V 8.31 4.64 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 -0.17 0.00 0.00 0.79 0.00 0.00 61 D 8.78 4.73 0.00 2.49 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 62 Y 8.50 4.33 0.00 2.68 2.64 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.85 4.39 0.00 1.60 1.73 0.92 0.70 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 64 R 7.72 4.72 0.00 1.81 1.82 0.00 3.24 0.00 0.00 3.53 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.68 0.00 65 P 0.00 4.66 0.00 1.98 1.97 0.00 3.69 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 2.03 2.10 0.00 66 I 8.59 4.64 1.84 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.84 0.97 0.00 0.00 67 L 9.27 5.00 0.00 1.55 1.58 0.95 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 68 L 8.34 4.12 0.00 1.62 1.61 1.04 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 69 G 8.84 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 0.00 0.00 0.00 70 D 7.47 4.48 0.00 2.77 2.58 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 71 E 9.24 4.17 0.00 1.98 1.81 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 1.94 1.95 0.00 72 V 7.77 5.20 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 0.92 0.00 0.00 0.77 0.00 0.00 73 F 8.31 5.29 0.00 2.99 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 74 V 9.07 4.75 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 1.09 0.00 0.00 0.91 0.00 0.00 75 G 8.83 4.37 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 0.00 76 V 8.76 5.42 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 0.79 0.00 0.00 0.56 0.00 0.00 77 R 8.68 5.02 0.00 1.95 1.74 0.00 2.58 0.00 0.00 2.25 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 1.39 0.00 78 T 9.00 4.40 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 1.30 0.00 0.00 79 V 9.13 4.27 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 0.64 0.00 0.00 0.94 0.00 0.00 80 G 7.45 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 81 L 8.51 4.90 0.00 1.58 1.55 0.94 1.04 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 82 G 8.58 4.11 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 0.00 0.00 0.00 83 R 8.27 4.18 0.00 1.87 1.88 0.00 3.17 0.00 0.00 3.41 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.62 0.00 84 S 8.13 5.06 0.00 4.22 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 85 S 7.99 5.51 0.00 3.98 4.09 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 0.00 0.00 0.00 0.00 86 L 8.94 5.08 0.00 1.86 1.51 1.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 87 R 8.84 5.26 0.00 1.91 1.82 0.00 3.22 0.00 0.00 3.18 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.38 0.00 *89 E 8.39 4.54 0.00 2.10 1.85 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 2.45 2.41 0.00 90 H 9.51 5.45 0.00 3.00 3.13 0.00 5.62 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 L 8.81 4.98 0.00 1.56 0.74 0.99 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 92 V 8.78 4.84 2.25 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 1.04 0.00 0.00 1.06 0.00 0.00 93 T 9.03 5.19 4.37 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 1.19 0.00 0.00 94 A 9.05 4.85 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 95 N 10.31 4.30 0.00 2.83 2.92 0.00 0.00 7.15 7.55 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 96 G 8.54 4.01 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 0.00 0.00 0.00 97 E 7.79 4.53 0.00 2.20 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 2.27 2.33 0.00 98 S 8.60 4.46 0.00 3.92 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 99 A 9.25 4.83 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 0.00 100 A 7.63 4.87 1.14 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 0.00 101 K 8.83 4.85 0.00 1.79 1.58 0.00 1.58 0.00 0.00 1.84 0.00 0.00 2.88 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.35 1.39 7.81 102 G 9.23 4.35 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 0.00 0.00 0.00 103 L 9.17 5.11 0.00 1.46 1.60 0.92 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 104 G 8.75 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 0.00 0.00 0.00 0.00 105 V 8.90 4.69 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 1.09 0.00 0.00 0.95 0.00 0.00 106 L 9.13 5.30 0.00 1.57 1.68 1.21 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 107 V 9.07 5.00 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 1.13 0.00 0.00 1.03 0.00 0.00 108 W 9.62 4.42 0.00 3.21 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 0.00 109 L 7.71 5.24 0.00 1.23 1.34 0.86 0.78 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 0.00 110 E 8.80 4.20 0.00 1.94 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 2.20 2.28 0.00 111 G 9.42 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 0.00 112 G 8.34 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 0.00 113 R 7.43 4.71 0.00 1.83 1.79 0.00 3.29 0.00 0.00 3.16 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.69 0.00 114 P 0.00 4.82 0.00 2.08 2.05 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 2.06 2.12 0.00 115 A 8.81 4.86 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 0.00 116 P 0.00 4.51 0.00 1.92 2.00 0.00 3.74 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 2.04 2.15 0.00 117 L 8.46 3.15 0.00 1.37 1.37 1.22 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 118 P 0.00 4.15 0.00 1.78 1.76 0.00 2.20 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.66 0.00 119 E 8.69 3.87 0.00 2.02 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 2.35 2.41 0.00 120 A 7.76 4.30 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 0.00 121 I 7.47 3.73 1.74 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.50 1.05 0.00 0.00 122 R 7.85 3.95 0.00 2.00 1.97 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 1.62 1.77 0.00 123 E 8.37 3.97 0.00 2.18 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 0.00 2.51 2.34 0.00 124 R 7.80 3.93 0.00 2.04 2.03 0.00 3.26 0.00 0.00 3.33 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.89 0.00 125 I 7.88 3.81 2.11 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.93 1.04 0.00 0.00 126 R 8.51 4.08 0.00 1.99 2.08 0.00 3.13 0.00 0.00 3.27 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.77 0.00 127 A 7.97 3.95 1.35 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 0.00 0.00 128 L 7.72 3.97 0.00 1.78 1.60 0.02 0.66 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 0.00 129 E 8.44 4.21 0.00 1.99 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 0.00 2.61 2.53 0.00 130 G 8.60 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 0.00 131 R 7.49 4.68 0.00 1.82 1.76 0.00 3.10 0.00 0.00 3.36 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.76 0.00 132 P 0.00 4.43 0.00 2.17 2.02 0.00 3.79 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 1.97 1.95 0.00 * Residues marked with a * may have inaccurate shift predictions.