NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -3 G 3.9204 8.3544 109.7381 44.9878 0.0000 172.8098 -2 S 3.9952 8.1055 119.1921 57.6959 63.2715 171.8334 -1 H 4.3091 9.3407 127.6359 55.9587 31.0941 174.0867 -2 M 4.0052 8.0755 123.0921 54.7959 32.3715 173.5334 -1 G 3.5391 9.2507 118.2359 46.0587 0.0000 174.8867 3 I 4.3521 7.8486 119.7624 59.3154 38.7049 176.9264 4 Q 4.1753 8.2671 124.7300 55.3975 29.9928 174.8924 *9 L 4.3414 8.4449 118.3104 56.1510 43.6365 179.6107 10 T 3.7548 7.9529 113.0815 66.6985 68.7646 175.5966 11 Q 4.1117 8.3198 119.1223 58.8135 28.8293 177.5421 12 L 4.0431 7.0303 117.7677 55.2819 42.4543 176.8473 13 S 4.3312 8.4400 119.3810 58.7675 62.9702 173.9590 14 L 3.8342 7.7667 121.1197 54.3597 41.7106 175.3518 15 P 4.4421 0.0000 0.0000 61.8763 32.0014 174.4473 16 P 4.4577 0.0000 0.0000 64.2637 31.7640 176.4356 17 G 3.9359 8.9780 109.5303 45.4570 0.0000 173.8217 18 F 4.3653 7.4579 117.5969 56.8908 39.4389 175.2679 19 R 4.5945 8.3582 123.6633 54.0184 33.6296 175.0758 20 F 4.4269 8.5025 123.2911 58.1247 39.2686 175.3611 21 Y 4.6333 7.6204 127.0603 55.5770 38.2020 173.7101 22 P 4.3794 0.0000 0.0000 62.2270 32.9564 178.0018 23 T 4.2271 8.5538 111.5298 61.4081 71.0161 175.6294 24 D 4.4323 8.5932 121.4008 57.5100 40.7651 178.7111 25 E 4.0122 8.1687 119.4366 59.2364 29.6574 178.5206 26 E 4.0079 8.2275 118.6740 59.4729 29.4749 179.2818 27 L 4.1063 7.9484 118.9286 58.0606 41.5914 179.6528 28 M 4.1468 8.1827 118.5118 58.3940 31.5802 178.8174 29 V 3.8027 8.1146 118.2049 65.5314 31.8266 177.7276 30 Q 3.7566 8.2892 116.0031 57.9558 28.9923 175.4550 31 Y 4.6821 7.9393 114.9884 59.2938 40.2313 177.4428 32 L 4.3433 8.9354 120.7550 58.7728 42.7062 179.3796 33 C 4.2331 8.6814 117.0808 62.9832 28.1968 176.3139 34 R 3.9340 7.6257 119.2785 59.1343 29.6383 179.0825 35 K 4.1611 8.6131 119.2063 59.6243 32.0087 178.7273 36 A 4.1743 8.2884 119.8544 54.9567 18.4043 178.6515 37 A 4.3529 8.1371 116.7334 52.4660 18.7889 178.2320 38 G 3.8390 7.8782 105.4690 45.7553 0.0000 173.8000 39 Y 3.9278 7.5682 116.2661 57.3011 38.3894 175.3454 40 D 4.7433 8.3101 121.7595 53.7623 42.3744 175.4121 41 F 4.7974 8.3536 120.4368 55.3562 42.1267 175.4793 42 S 4.3521 9.0167 121.3421 61.2796 62.7714 174.9692 43 L 4.7497 7.4532 116.8063 52.7310 45.3803 175.8788 44 Q 4.1028 8.6705 123.2896 55.8299 29.1436 175.2686 45 L 4.3863 8.4055 125.2191 55.0616 43.2728 176.3378 46 I 4.2060 7.4859 118.6263 59.4369 38.4396 175.6509 47 A 4.5762 8.2620 129.0044 50.7725 21.1475 175.4673 48 E 4.8302 8.5361 118.6938 56.1463 30.8205 176.1413 49 I 4.6076 9.0008 122.6846 60.0084 42.6662 173.5419 50 D 4.7186 8.8897 126.7620 52.7331 40.4743 176.6790 51 L 3.8864 8.6892 130.6182 58.0933 42.5274 178.0046 52 Y 4.4272 8.3308 114.0773 58.4978 37.8367 176.6026 53 K 4.1470 7.7559 118.8028 56.6309 32.5632 176.6940 54 F 4.7490 7.2860 117.0759 55.0451 42.7983 174.5490 55 D 3.5679 7.9332 123.5742 52.9414 41.2228 175.9450 56 P 3.6615 0.0000 0.0000 65.0811 31.1207 178.0779 57 W 3.3828 6.1187 113.7040 57.5568 28.4140 177.4433 58 V 3.8480 6.6231 111.8868 61.8212 31.3120 177.6634 59 L 3.5324 7.0316 119.8927 57.1519 41.4546 177.3557 60 P 3.0461 0.0000 0.0000 65.2421 30.7933 178.1928 61 N 4.3653 7.4941 114.0008 55.4188 38.4575 176.7888 62 K 4.1288 7.6446 118.5150 56.7382 32.9559 177.2454 63 A 3.9968 6.8729 121.1456 51.8398 18.7633 177.6572 64 L 4.2200 8.1825 120.8071 56.4686 42.1844 176.4948 65 F 4.6686 7.2753 111.5822 55.8789 40.1184 172.7309 66 G 3.9711 8.7056 108.6728 45.2148 0.0000 173.5909 67 E 4.5728 8.5884 122.0241 57.1614 30.9118 177.1339 68 K 4.2537 7.2482 113.1743 55.1259 34.6655 175.7366 69 E 4.3874 6.7554 117.2865 53.8943 33.8614 174.6489 70 W 4.8661 8.9572 121.6780 55.0244 33.4912 173.8978 71 Y 5.0619 7.8050 119.2789 56.4017 40.8409 174.9439 72 F 4.9270 8.8568 119.8063 56.1855 44.3532 173.2378 73 F 5.3528 8.9438 120.5978 56.6243 40.5402 175.0331 74 S 6.0112 9.3988 117.3291 54.5969 66.1810 171.3019 75 P 4.4327 0.0000 0.0000 62.7205 31.6285 176.2074 76 R 4.1188 8.5221 125.5485 56.2965 30.9110 175.3739 77 D 4.5563 8.6740 125.6569 53.6388 42.0502 177.2099 78 R 4.4430 8.2157 129.7213 54.6381 30.0011 174.7579 *86 P 4.0689 0.0000 0.0000 63.8988 33.2586 176.5942 87 N 4.9825 8.8603 117.2907 53.3799 35.8745 174.8124 88 R 4.0396 7.6717 118.4654 55.9620 31.3732 175.5647 89 V 4.2873 8.3898 125.1259 62.8997 32.4314 175.0615 90 A 5.2987 8.4818 128.5713 51.3505 23.2054 176.2870 91 G 3.7249 8.4827 112.6786 47.0544 0.0000 174.1511 92 S 4.6965 9.3611 120.9428 58.1581 64.0132 173.0832 93 G 4.0186 8.4191 110.7564 45.6956 0.0000 171.5269 94 Y 5.5128 7.6740 119.6940 55.7560 42.2093 174.2363 95 W 5.3691 9.5553 121.6463 55.3883 31.3418 174.9801 96 K 5.0504 9.3504 126.6485 54.2624 33.9107 175.2208 97 A 4.8400 8.9028 129.7846 52.5372 19.0301 176.3418 98 T 4.5672 8.5776 110.9945 61.1684 72.4487 175.7682 99 G 3.8509 8.6462 110.3789 45.3474 0.0000 172.0311 100 T 4.5292 8.2078 115.9390 61.4732 70.0902 174.1610 101 D 4.7054 8.6907 126.4958 54.5746 41.9020 175.6433 102 K 4.6207 8.7923 123.0442 54.6550 35.0000 174.9209 103 I 4.6245 8.4087 127.8646 60.8963 38.3202 175.0413 104 I 4.6098 9.0104 127.7000 59.8255 39.1906 174.9748 105 S 5.2958 8.6057 120.8825 57.0917 67.5754 173.1447 106 T 4.6162 8.8352 116.3821 61.6769 70.2992 173.8156 107 E 3.6552 9.9324 129.5266 57.6356 26.7582 175.4775 108 G 3.9559 8.1072 102.4883 45.7667 0.0000 172.3114 109 Q 4.6504 7.6918 119.1082 53.6617 31.3495 175.1814 110 R 4.6648 8.4794 121.3862 55.7364 31.0353 176.6160 111 V 4.4476 9.0843 114.7327 61.8102 35.2321 175.5173 112 G 4.6645 7.9693 105.3318 45.0803 0.0000 171.6113 113 I 5.0969 8.9310 120.6247 59.1451 40.7437 174.6864 114 K 4.5718 9.1178 128.5709 54.4784 34.1323 174.6455 115 K 4.9702 8.7685 128.5051 54.5416 35.1749 174.4306 116 A 5.1928 8.4895 128.0508 50.8926 21.2250 175.8495 117 L 5.4999 9.2352 120.2571 53.1307 46.8176 175.6764 118 V 5.1649 9.1495 120.3609 61.2701 35.1953 174.0932 119 F 4.3468 8.9591 130.0474 57.5961 40.5713 173.6445 120 Y 4.5770 7.7616 123.9588 56.0490 40.4715 174.6944 121 I 4.1193 8.1640 124.5522 60.7511 39.0122 174.3045 122 G 4.1004 7.9965 112.2200 44.0908 0.0000 171.5432 123 K 4.5817 8.7034 120.0893 54.1527 33.8878 176.6933 124 A 4.0263 7.9066 129.2390 51.5589 18.7958 174.8840 125 P 4.6537 0.0000 0.0000 63.3831 32.0746 176.4802 126 K 4.5146 8.1284 115.9609 57.1856 32.7439 176.7252 127 G 4.2083 8.2296 107.4310 46.4068 0.0000 173.2241 128 T 4.8876 8.5479 110.0202 59.1790 71.3944 173.9490 129 K 3.1466 8.5005 126.0653 56.5049 32.9378 175.8270 130 T 4.5810 7.8439 116.8096 59.9884 71.7341 173.6356 131 N 4.6204 8.5070 116.2061 53.4012 39.9446 175.1581 132 W 4.7113 8.1459 121.0185 56.4889 30.4427 175.3792 133 I 5.3188 9.0916 125.7181 59.6693 40.2778 174.1717 134 M 5.1984 9.1772 125.0870 54.0420 35.4385 173.8135 135 H 5.3635 9.3894 123.0286 54.1970 31.5126 172.7706 136 E 4.8660 9.2804 125.9195 54.8148 31.5117 173.9890 137 Y 5.1637 9.4246 126.0230 56.6039 40.1506 175.1190 138 R 5.1672 8.9815 119.4424 54.2996 33.4510 174.4513 139 L 4.7829 8.6522 120.6101 54.6240 42.6733 176.8588 140 I 4.0799 8.4420 124.3631 61.5228 37.6190 175.4195 141 E 4.8025 8.5354 124.3596 53.7496 33.7366 173.4229 142 P 4.4365 0.0000 0.0000 62.8195 32.2138 177.9372 143 S 4.3792 8.2126 117.9263 57.2089 61.7094 174.3146 *152 D 4.3618 7.5219 123.7737 54.8606 41.4669 173.3408 153 D 4.7790 7.3008 119.8799 52.1096 42.4095 174.3449 154 W 5.6605 8.6344 123.8451 54.8619 33.3696 175.0001 155 V 4.8784 9.2510 114.8398 59.7268 35.0374 174.4631 156 L 5.1679 8.8933 124.5263 53.7266 44.4224 174.7737 157 C 5.5424 9.5093 124.3889 58.0413 31.3969 172.8198 158 R 4.5938 9.0805 124.1389 54.9246 31.6472 174.7750 159 I 5.3528 8.9811 127.4205 59.8937 40.1667 174.2639 160 Y 5.4544 9.0716 123.4346 55.9816 42.1123 173.3608 161 K 4.2320 8.4202 121.3005 53.9358 33.3292 175.6090 162 K 3.9231 8.3580 129.9483 58.0313 32.9806 176.4193 163 Q 4.0433 8.6897 125.1663 56.4421 29.6351 172.9682 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 -3 G 8.35 3.92 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 0.00 -2 S 8.11 4.00 0.00 3.93 3.79 0.00 0.00 0.00 0.00 0.00 0.00 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 H 9.34 4.31 0.00 3.13 3.20 0.00 5.83 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -2 M 8.08 4.01 0.00 2.15 1.93 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 2.58 2.50 0.00 -1 G 9.25 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 3 I 7.85 4.35 1.88 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 1.42 0.67 0.92 0.00 0.00 4 Q 8.27 4.18 0.00 2.04 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.63 0.00 0.00 0.00 0.00 0.00 2.36 2.34 0.00 *9 L 8.44 4.34 0.00 1.69 1.71 0.96 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 10 T 7.95 3.75 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 1.21 0.00 0.00 11 Q 8.32 4.11 0.00 2.02 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.95 0.00 0.00 0.00 0.00 0.00 2.37 2.37 0.00 12 L 7.03 4.04 0.00 1.41 1.76 0.84 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 13 S 8.44 4.33 0.00 3.84 3.84 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 0.00 0.00 0.00 14 L 7.77 3.83 0.00 1.60 1.67 0.85 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 15 P 0.00 4.44 0.00 2.50 2.11 0.00 3.40 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.13 0.00 16 P 0.00 4.46 0.00 2.07 2.02 0.00 3.71 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.13 0.00 17 G 8.98 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 0.00 0.00 0.00 18 F 7.46 4.37 0.00 3.14 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.36 4.59 0.00 1.93 1.58 0.00 3.33 0.00 0.00 3.32 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.81 0.00 20 F 8.50 4.43 0.00 2.64 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 21 Y 7.62 4.63 0.00 2.90 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 22 P 0.00 4.38 0.00 1.81 1.19 0.00 3.10 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 1.49 0.45 0.00 23 T 8.55 4.23 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 1.20 0.00 0.00 24 D 8.59 4.43 0.00 2.82 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 25 E 8.17 4.01 0.00 2.07 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 0.00 2.41 2.44 0.00 26 E 8.23 4.01 0.00 2.25 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 0.00 2.37 2.37 0.00 27 L 7.95 4.11 0.00 1.53 1.37 0.35 0.42 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 28 M 8.18 4.15 0.00 2.15 2.20 0.00 0.00 0.00 0.00 0.00 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.78 3.04 0.00 29 V 8.11 3.80 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 1.03 0.00 0.00 1.02 0.00 0.00 30 Q 8.29 3.76 0.00 2.16 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.54 0.00 0.00 0.00 0.00 0.00 2.37 2.52 0.00 31 Y 7.94 4.68 0.00 3.27 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 32 L 8.94 4.34 0.00 2.03 2.03 1.41 1.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 33 C 8.68 4.23 0.00 3.27 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 34 R 7.63 3.93 0.00 1.80 1.67 0.00 2.67 0.00 0.00 2.63 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.61 0.00 35 K 8.61 4.16 0.00 1.85 1.94 0.00 0.61 0.00 0.00 0.61 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.14 1.26 7.81 36 A 8.29 4.17 1.48 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 37 A 8.14 4.35 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 0.00 0.00 0.00 0.00 0.00 38 G 7.88 3.84 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 0.00 0.00 0.00 0.00 0.00 0.00 39 Y 7.57 3.93 0.00 2.94 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 40 D 8.31 4.74 0.00 2.61 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 41 F 8.35 4.80 0.00 3.00 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 42 S 9.02 4.35 0.00 3.88 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 43 L 7.45 4.75 0.00 1.52 1.49 0.87 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 44 Q 8.67 4.10 0.00 1.95 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.90 0.00 0.00 0.00 0.00 0.00 2.30 2.27 0.00 45 L 8.41 4.39 0.00 1.48 1.44 0.70 0.77 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 46 I 7.49 4.21 1.61 0.00 0.00 0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.17 0.26 0.00 0.00 47 A 8.26 4.58 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 48 E 8.54 4.83 0.00 1.89 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 1.47 1.92 0.00 49 I 9.00 4.61 1.92 0.00 0.00 0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 1.22 0.68 0.00 0.00 50 D 8.89 4.72 0.00 2.83 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 51 L 8.69 3.89 0.00 1.66 1.21 0.80 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 52 Y 8.33 4.43 0.00 3.39 3.26 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 53 K 7.76 4.15 0.00 0.88 1.02 0.00 1.47 0.00 0.00 1.59 0.00 0.00 3.06 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.48 1.38 7.81 54 F 7.29 4.75 0.00 2.68 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 55 D 7.93 3.57 0.00 1.58 1.54 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 56 P 0.00 3.66 0.00 0.97 2.05 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 0.83 0.44 0.00 57 W 6.12 3.38 0.00 3.25 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 58 V 6.62 3.85 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 0.88 0.00 0.00 0.69 0.00 0.00 59 L 7.03 3.53 0.00 1.48 1.46 0.58 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 60 P 0.00 3.05 0.00 1.64 0.74 0.00 3.20 0.00 0.00 3.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.44 0.00 61 N 7.49 4.37 0.00 2.62 2.78 0.00 0.00 7.00 8.90 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 62 K 7.64 4.13 0.00 1.75 1.74 0.00 1.46 0.00 0.00 1.51 0.00 0.00 2.62 0.00 0.00 2.48 0.00 0.00 0.00 0.00 1.22 0.85 7.81 63 A 6.87 4.00 1.16 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 0.00 0.00 64 L 8.18 4.22 0.00 1.90 1.80 0.97 0.79 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 65 F 7.28 4.67 0.00 3.08 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 66 G 8.71 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 67 E 8.59 4.57 0.00 1.91 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 2.28 2.33 0.00 68 K 7.25 4.25 0.00 1.49 1.61 0.00 1.66 0.00 0.00 1.69 0.00 0.00 3.04 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.31 1.37 7.81 69 E 6.76 4.39 0.00 1.52 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 1.95 2.01 0.00 70 W 8.96 4.87 0.00 3.33 2.60 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 71 Y 7.80 5.06 0.00 2.36 2.53 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 72 F 8.86 4.93 0.00 2.89 2.86 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 73 F 8.94 5.35 0.00 2.61 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 74 S 9.40 6.01 0.00 4.04 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 75 P 0.00 4.43 0.00 1.96 1.78 0.00 3.93 0.00 0.00 4.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.07 0.00 76 R 8.52 4.12 0.00 1.89 1.96 0.00 3.34 0.00 0.00 3.35 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.62 0.00 77 D 8.67 4.56 0.00 2.58 2.53 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 78 R 8.22 4.44 0.00 1.79 1.86 0.00 3.44 0.00 0.00 3.26 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.49 0.00 *86 P 0.00 4.07 0.00 2.18 2.10 0.00 3.90 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.98 0.00 87 N 8.86 4.98 0.00 2.72 2.59 0.00 0.00 7.23 7.66 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 88 R 7.67 4.04 0.00 1.85 1.94 0.00 2.79 0.00 0.00 2.25 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.51 0.00 89 V 8.39 4.29 2.15 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 0.96 0.00 0.00 0.96 0.00 0.00 90 A 8.48 5.30 1.60 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 0.00 0.00 91 G 8.48 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 9.36 4.70 0.00 4.12 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 0.00 93 G 8.42 4.02 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 0.00 0.00 0.00 94 Y 7.67 5.51 0.00 3.06 2.93 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 95 W 9.56 5.37 0.00 3.62 3.33 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 96 K 9.35 5.05 0.00 1.90 1.87 0.00 1.22 0.00 0.00 1.60 0.00 0.00 2.88 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.43 1.55 7.81 97 A 8.90 4.84 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 98 T 8.58 4.57 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 1.41 0.00 0.00 99 G 8.65 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 0.00 0.00 0.00 100 T 8.21 4.53 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 0.00 101 D 8.69 4.71 0.00 2.55 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 0.00 102 K 8.79 4.62 0.00 1.79 1.59 0.00 1.64 0.00 0.00 1.67 0.00 0.00 2.87 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.34 1.39 7.81 103 I 8.41 4.62 1.89 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 1.36 0.96 0.94 0.00 0.00 104 I 9.01 4.61 1.99 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.88 1.01 0.00 0.00 105 S 8.61 5.30 0.00 3.75 3.73 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 0.00 106 T 8.84 4.62 4.28 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 1.24 0.00 0.00 107 E 9.93 3.66 0.00 2.12 1.95 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 2.23 2.29 0.00 108 G 8.11 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 0.00 0.00 0.00 109 Q 7.69 4.65 0.00 2.23 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.96 0.00 0.00 0.00 0.00 0.00 2.39 2.44 0.00 110 R 8.48 4.66 0.00 1.81 1.90 0.00 3.27 0.00 0.00 2.41 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.69 0.00 111 V 9.08 4.45 2.15 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 0.81 0.00 0.00 1.03 0.00 0.00 112 G 7.97 4.66 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 0.00 0.00 0.00 113 I 8.93 5.10 1.91 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 1.14 0.79 0.92 0.00 0.00 114 K 9.12 4.57 0.00 1.39 1.47 0.00 1.41 0.00 0.00 1.44 0.00 0.00 2.55 0.00 0.00 2.71 0.00 0.00 0.00 0.00 0.98 0.28 7.81 115 K 8.77 4.97 0.00 1.83 1.59 0.00 1.72 0.00 0.00 1.68 0.00 0.00 3.05 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.35 1.49 7.81 116 A 8.49 5.19 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 0.00 117 L 9.24 5.50 0.00 1.73 1.92 0.97 0.74 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 0.00 118 V 9.15 5.16 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 1.02 0.00 0.00 1.07 0.00 0.00 119 F 8.96 4.35 0.00 1.51 2.51 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 0.00 120 Y 7.76 4.58 0.00 1.43 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 0.00 0.00 0.00 121 I 8.16 4.12 1.88 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 1.63 0.87 1.01 0.00 0.00 122 G 8.00 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 0.00 123 K 8.70 4.58 0.00 1.79 1.67 0.00 1.71 0.00 0.00 1.81 0.00 0.00 3.02 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.35 1.34 7.81 124 A 7.91 4.03 0.26 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 0.00 125 P 0.00 4.65 0.00 2.12 2.03 0.00 3.65 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.90 0.00 126 K 8.13 4.51 0.00 1.86 1.85 0.00 1.70 0.00 0.00 1.71 0.00 0.00 3.01 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.36 1.32 7.81 127 G 8.23 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 0.00 0.00 0.00 0.00 128 T 8.55 4.89 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 1.24 0.00 0.00 129 K 8.50 3.15 0.00 1.36 1.49 0.00 1.70 0.00 0.00 1.67 0.00 0.00 2.95 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.12 0.73 7.81 130 T 7.84 4.58 4.46 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 1.38 0.00 0.00 131 N 8.51 4.62 0.00 2.41 2.76 0.00 0.00 6.84 7.68 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 0.00 132 W 8.15 4.71 0.00 3.37 3.26 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 0.00 133 I 9.09 5.32 0.65 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 0.92 0.76 0.94 0.00 0.00 134 M 9.18 5.20 0.00 1.47 0.61 0.00 0.00 0.00 0.00 0.00 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.30 0.00 135 H 9.39 5.36 0.00 3.25 3.17 0.00 5.66 0.00 0.00 0.00 0.00 6.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 136 E 9.28 4.87 0.00 2.00 1.82 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 2.32 2.37 0.00 137 Y 9.42 5.16 0.00 3.21 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 0.00 138 R 8.98 5.17 0.00 1.94 2.08 0.00 2.83 0.00 0.00 3.22 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.66 0.00 139 L 8.65 4.78 0.00 1.66 1.73 1.06 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 140 I 8.44 4.08 1.92 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.52 0.95 0.00 0.00 141 E 8.54 4.80 0.00 1.92 1.82 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 2.24 2.36 0.00 142 P 0.00 4.44 0.00 2.05 1.99 0.00 3.69 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.09 0.00 143 S 8.21 4.38 0.00 3.98 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 *152 D 7.52 4.36 0.00 2.84 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 153 D 7.30 4.78 0.00 2.65 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 0.00 0.00 0.00 0.00 154 W 8.63 5.66 0.00 3.28 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 0.00 155 V 9.25 4.88 2.38 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 0.84 0.00 0.00 1.20 0.00 0.00 156 L 8.89 5.17 0.00 1.95 1.66 0.20 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 157 C 9.51 5.54 0.00 2.95 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 0.00 158 R 9.08 4.59 0.00 1.71 1.91 0.00 3.03 0.00 0.00 3.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.02 0.00 159 I 8.98 5.35 2.32 0.00 0.00 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 1.50 1.09 1.35 0.00 0.00 160 Y 9.07 5.45 0.00 3.05 2.89 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 0.00 161 K 8.42 4.23 0.00 0.79 1.31 0.00 1.14 0.00 0.00 1.33 0.00 0.00 2.45 0.00 0.00 2.67 0.00 0.00 0.00 0.00 0.82 0.21 7.81 162 K 8.36 3.92 0.00 1.78 1.63 0.00 1.89 0.00 0.00 1.61 0.00 0.00 2.91 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.48 1.49 7.81 163 Q 8.69 4.04 0.00 2.16 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.89 6.42 0.00 0.00 0.00 0.00 0.00 2.16 2.36 0.00 * Residues marked with a * may have inaccurate shift predictions.