NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 9 A 4.4777 8.2644 122.4632 51.7376 20.2030 175.6945 10 L 4.0635 8.7147 125.8262 53.2795 43.3599 173.4203 11 L 4.9432 9.3791 130.2270 53.5023 44.2511 174.7483 12 L 4.7362 9.0853 128.0579 53.5218 43.4289 175.9695 13 Q 5.1614 8.6492 122.8408 53.3480 32.0344 175.0450 14 E 2.5400 8.5975 118.9640 57.6454 29.6168 176.7305 15 A 3.7001 8.3148 121.3522 53.0536 16.2762 177.1571 16 Q 4.6058 7.5953 114.6936 54.8519 32.9580 174.7058 17 A 4.2762 8.5049 122.5181 54.2329 18.8174 178.1385 18 G 4.0896 9.2507 110.6160 45.0296 0.0000 172.7209 19 F 4.7695 8.0103 122.2794 57.4928 40.2126 173.8734 20 C 4.6636 8.0220 125.6684 58.3000 40.1016 174.2561 21 R 4.6368 6.2492 115.3459 55.2516 33.0051 173.5591 22 V 4.6907 8.2616 123.6531 60.1037 34.3401 175.6917 23 D 4.5110 9.2361 125.5162 52.9968 39.8029 175.6426 24 G 4.3269 7.4546 116.9333 44.7183 0.0000 170.4456 25 T 4.7341 8.6133 115.3351 59.8978 72.9491 173.0789 26 I 4.5911 8.1482 122.9092 60.2705 38.2347 174.9556 27 D 4.7633 8.3134 126.6017 52.0281 45.1003 176.7470 28 N 4.4284 7.8745 113.7064 53.2716 37.6729 174.4673 29 N 4.9037 8.3411 113.8975 53.5224 37.7499 173.9802 30 H 5.1960 8.4855 115.4017 54.3085 32.1511 173.5601 31 T 4.1635 8.6580 113.8415 62.2997 69.3343 174.5229 32 G 4.0529 8.4769 109.6881 45.2642 0.0000 173.9368 33 F 3.4357 7.2096 114.5962 56.0120 38.9599 174.0086 34 T 4.5523 8.6952 110.9976 60.3648 71.7571 175.7286 35 G 3.8398 8.4370 109.5289 45.9804 0.0000 173.9633 36 S 4.5657 8.1399 114.9204 57.9934 64.4321 176.0548 37 G 3.0027 7.1187 108.7567 45.8214 0.0000 171.6835 38 F 5.1551 7.2415 116.7920 55.4123 42.0240 173.8705 39 A 4.7091 9.5080 123.3344 51.5807 20.0982 175.9702 40 N 5.4070 9.4508 122.8144 51.7175 40.5911 173.8662 41 T 4.5290 8.5752 116.5943 61.2246 70.1150 173.8431 42 N 4.1232 8.9412 121.1889 54.0381 40.0227 174.2352 43 N 5.1140 8.8903 119.7347 51.0034 37.3351 173.7052 44 A 4.7627 7.6906 122.1301 50.0658 23.2839 175.7147 45 Q 4.2484 8.6367 122.1713 57.5619 29.6677 176.8692 46 G 3.9547 8.9870 113.6805 45.0429 0.0000 173.7260 47 A 4.1585 7.7209 121.8258 52.4577 19.3193 176.5865 48 A 5.2548 9.0272 123.0123 49.9971 23.2210 174.8774 49 V 4.3830 8.5105 118.9373 60.8634 34.6634 174.6899 50 V 4.5514 7.7714 126.6974 60.7743 34.7675 174.2584 51 W 5.3400 9.1932 126.0751 54.7745 33.7514 174.0100 52 A 5.2499 9.2226 122.1058 50.4902 21.9319 175.2272 53 I 4.9406 9.1091 123.1886 59.4764 41.1309 173.9420 54 D 5.2538 9.3613 126.9546 52.7963 43.1367 174.6745 55 A 5.2637 8.7638 127.9215 50.3071 21.0851 177.2172 56 T 4.3092 8.7101 113.3695 64.0453 69.5495 175.2123 57 S 4.7196 7.7835 116.1956 56.2602 67.0135 173.7885 58 S 4.4199 8.5605 117.4697 57.6607 63.7129 173.7703 59 G 4.2285 7.7513 111.1789 44.3375 0.0000 171.5183 60 R 4.5867 7.9742 120.9748 56.2764 30.5983 175.7461 61 R 4.8793 9.3166 124.8172 54.7085 34.5016 174.5312 62 T 4.9615 8.4856 118.2713 61.5771 70.4649 173.6901 63 L 5.0301 8.9217 127.2647 53.3575 44.2419 175.6277 64 T 4.9480 8.8737 120.5199 61.8718 71.6003 172.9297 65 I 4.8272 8.8929 128.4903 59.6652 39.5099 174.6698 66 R 5.2752 8.8645 128.6040 55.3047 31.7463 174.6668 67 Y 5.8123 9.3031 123.2810 56.0437 42.3062 173.2879 68 A 4.5139 8.9855 121.2460 48.9031 22.4806 174.9700 69 N 4.3506 8.7998 120.2633 51.6061 40.9618 174.3037 70 G 2.4533 5.3800 112.3423 44.4000 0.0000 172.2122 71 G 3.8242 7.1191 112.1611 45.6359 0.0000 174.4993 72 T 4.2902 8.2698 109.1536 60.6328 69.1326 170.3442 73 A 4.8267 7.3499 121.4607 50.6923 22.5129 175.5443 74 N 4.5426 8.6113 116.5721 54.3835 39.6211 175.0694 75 R 5.0057 8.1982 118.2401 54.7038 29.3856 175.2811 76 N 4.5700 8.1305 118.3869 53.5876 40.6298 175.8043 77 G 4.5283 8.9854 107.9231 44.5405 0.0000 171.6240 78 S 5.2304 9.0107 116.7602 56.5066 64.6357 172.5475 79 L 5.3016 9.2250 129.1201 53.4961 44.4836 175.3572 80 V 5.1157 8.9512 119.3317 59.6693 35.7915 174.5443 81 I 4.7726 8.7426 124.5332 59.9745 39.7364 175.8750 82 N 4.0576 9.9217 125.7908 54.5717 36.4245 175.1135 83 G 3.9217 8.9373 99.2715 46.5603 0.0000 174.8477 84 G 4.0313 8.2580 109.5125 45.0571 0.0000 176.5971 85 S 4.2572 7.7070 114.7362 60.9035 62.8940 174.8871 86 N 4.9566 9.4010 115.5536 51.1660 39.1316 172.8210 87 G 3.8939 6.2772 105.0960 44.0554 0.0000 172.5398 88 N 5.3358 7.8220 120.8475 51.5875 41.7115 173.2590 89 Y 4.9940 9.5126 121.2489 56.2458 42.7761 174.3928 90 T 5.0612 8.6517 110.4562 59.9875 71.4335 173.5505 91 V 4.3927 8.8538 124.8086 61.1802 34.2951 174.3401 92 S 4.7768 8.7153 124.4060 58.0082 63.8831 174.8459 93 L 4.5083 8.8483 124.2806 51.9841 41.8447 174.0647 94 P 5.1850 0.0000 0.0000 61.5565 32.9116 177.0415 95 T 3.9706 8.4371 114.8303 62.7129 67.5933 173.7243 96 T 4.1711 8.4511 116.4264 61.2716 69.6754 175.5984 97 G 3.7740 9.0503 110.4097 45.1308 0.0000 173.0359 98 A 4.0246 6.6243 119.2532 51.2237 21.3930 177.0865 99 W 4.0728 8.4480 119.6211 58.5378 29.2308 177.3480 100 T 4.5560 7.5981 107.0219 61.6122 69.0764 174.0359 101 T 4.5079 7.2097 120.4012 61.8740 70.4330 173.3661 102 W 4.8753 8.7915 126.1650 55.1208 31.8304 175.0479 103 Q 4.7346 8.7223 121.8868 54.5453 33.2294 173.6674 104 T 5.4355 8.5297 108.8274 60.1524 71.7513 173.2961 105 A 4.9907 9.3105 124.6449 50.4923 22.2709 175.0772 106 T 5.0877 8.4895 114.7294 60.3076 70.7031 172.9070 107 I 4.6736 8.5648 127.2455 59.4211 41.6116 173.4480 108 D 5.1777 8.6156 128.1778 53.8194 42.5995 175.7932 109 V 4.2402 8.7819 115.0839 59.7750 36.7199 174.1515 110 D 5.2389 8.8530 123.1786 53.0004 41.7537 176.4991 111 L 4.5490 8.5152 124.5350 54.2600 43.2589 177.1551 112 V 4.4005 8.7284 115.9062 60.2408 33.0300 176.0088 113 Q 3.9464 8.5145 124.5077 57.6459 29.2738 176.6111 114 G 3.9649 9.5442 111.9272 44.6917 0.0000 171.8087 115 N 4.9668 8.4611 121.9384 53.1628 40.3335 175.0531 116 N 5.0411 9.2005 122.7822 51.6084 42.2497 173.5896 117 I 4.5820 9.1900 126.9140 60.4431 38.6387 175.4693 118 V 4.7683 9.1292 129.0814 61.4550 33.2124 174.2039 119 Q 4.8812 9.0444 130.3436 54.3110 31.3162 173.7503 120 L 5.1202 8.9669 129.9525 53.8503 43.8384 175.1553 121 S 5.3185 9.0366 122.5899 56.1804 66.6609 173.6620 122 A 4.4796 8.9296 126.3472 52.7082 18.6747 178.3594 123 T 4.3229 8.7242 112.4843 62.5283 70.1863 174.7471 124 T 4.6246 7.7057 111.4653 59.2330 71.5958 174.5155 125 A 4.2880 8.4071 123.7581 54.2204 18.4904 178.3961 126 E 4.1216 8.1076 115.4501 56.6789 30.1690 178.0419 127 G 3.9709 7.6596 106.4149 45.4877 0.0000 173.0073 128 L 4.4251 8.0051 119.6056 53.0454 42.7461 174.3210 129 P 4.8964 0.0000 0.0000 62.3825 32.6290 175.9677 130 N 4.9553 9.2856 118.5754 53.6852 39.7857 174.7321 131 I 5.0687 9.2029 124.8892 60.1110 38.9910 175.9707 132 D 4.6625 10.0830 128.8296 57.0386 41.7742 176.1617 133 S 4.9801 7.8684 110.1349 57.6022 66.5003 173.3924 134 L 4.9269 8.5084 122.5276 53.2030 44.4994 174.8161 135 S 5.1574 9.0542 121.4140 56.4827 65.1947 172.7185 136 V 4.7723 8.8031 126.2054 61.0873 34.4643 174.2182 137 V 4.5168 9.5262 127.3047 60.5843 34.9145 172.5326 138 G 3.3427 10.3509 113.3060 44.7809 0.0000 174.0418 139 G 3.6600 8.2979 117.8772 46.3102 0.0000 172.3605 140 T 4.5938 8.2975 118.4754 62.0203 70.6482 174.1655 141 V 5.1711 8.3242 119.1923 59.7557 35.9819 174.8770 142 R 4.7414 8.8595 118.9477 54.4734 33.6555 173.6846 143 A 4.2372 8.7389 120.9972 52.8807 18.6274 177.8984 144 G 4.2088 8.6682 111.5594 45.2078 0.0000 171.9195 145 N 5.1005 8.9283 118.5480 51.6081 40.2384 174.8881 146 C 4.2887 8.7859 120.3564 59.2585 40.8024 173.9585 *147 G 3.7274 7.9816 112.8939 45.6836 0.0000 172.5152 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 9 A 8.26 4.48 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 10 L 8.71 4.06 0.00 1.77 1.52 0.93 0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 11 L 9.38 4.94 0.00 1.63 1.54 0.91 1.01 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 12 L 9.09 4.74 0.00 1.64 1.84 0.91 0.77 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 13 Q 8.65 5.16 0.00 1.96 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.94 0.00 0.00 0.00 0.00 0.00 2.38 2.28 0.00 14 E 8.60 2.54 0.00 1.36 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 2.04 1.99 0.00 15 A 8.31 3.70 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 16 Q 7.60 4.61 0.00 2.27 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.90 0.00 0.00 0.00 0.00 0.00 2.46 2.44 0.00 17 A 8.50 4.28 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 18 G 9.25 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 0.00 0.00 0.00 19 F 8.01 4.77 0.00 3.29 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 20 C 8.02 4.66 0.00 2.62 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 21 R 6.25 4.64 0.00 1.68 1.47 0.00 3.06 0.00 0.00 3.31 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.49 0.00 22 V 8.26 4.69 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 0.89 0.00 0.00 0.97 0.00 0.00 23 D 9.24 4.51 0.00 2.65 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 24 G 7.45 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 25 T 8.61 4.73 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 1.17 0.00 0.00 26 I 8.15 4.59 1.69 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.66 0.60 0.00 0.00 27 D 8.31 4.76 0.00 1.74 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 0.00 0.00 0.00 0.00 28 N 7.87 4.43 0.00 2.57 2.44 0.00 0.00 5.98 8.04 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 29 N 8.34 4.90 0.00 2.83 2.92 0.00 0.00 6.00 7.90 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 30 H 8.49 5.20 0.00 3.38 3.46 0.00 5.70 0.00 0.00 0.00 0.00 6.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 T 8.66 4.16 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 1.30 0.00 0.00 32 G 8.48 4.05 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 0.00 0.00 0.00 33 F 7.21 3.44 0.00 3.26 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 34 T 8.70 4.55 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 1.07 0.00 0.00 35 G 8.44 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 36 S 8.14 4.57 0.00 3.89 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 37 G 7.12 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 0.00 0.00 0.00 38 F 7.24 5.16 0.00 3.51 3.25 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 39 A 9.51 4.71 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 9.45 5.41 0.00 2.99 2.86 0.00 0.00 6.56 7.12 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 41 T 8.58 4.53 4.26 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 1.30 0.00 0.00 42 N 8.94 4.12 0.00 2.65 2.83 0.00 0.00 7.03 6.77 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 43 N 8.89 5.11 0.00 2.62 2.81 0.00 0.00 7.01 7.35 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 44 A 7.69 4.76 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 45 Q 8.64 4.25 0.00 2.03 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.60 0.00 0.00 0.00 0.00 0.00 2.35 2.41 0.00 46 G 8.99 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 47 A 7.72 4.16 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 48 A 9.03 5.25 1.23 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 0.00 0.00 0.00 49 V 8.51 4.38 1.65 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 0.15 0.00 0.00 0.93 0.00 0.00 50 V 7.77 4.55 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 0.86 0.00 0.00 0.74 0.00 0.00 51 W 9.19 5.34 0.00 3.29 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 52 A 9.22 5.25 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 53 I 9.11 4.94 1.89 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.82 0.96 0.00 0.00 54 D 9.36 5.25 0.00 2.76 2.54 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 55 A 8.76 5.26 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 56 T 8.71 4.31 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 57 S 7.78 4.72 0.00 3.81 3.74 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.56 4.42 0.00 4.09 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 59 G 7.75 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 0.00 0.00 0.00 0.00 60 R 7.97 4.59 0.00 2.11 1.85 0.00 3.29 0.00 0.00 3.22 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.23 0.00 61 R 9.32 4.88 0.00 1.70 1.70 0.00 3.23 0.00 0.00 3.21 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.72 0.00 62 T 8.49 4.96 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 1.20 0.00 0.00 63 L 8.92 5.03 0.00 1.48 1.40 0.75 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 64 T 8.87 4.95 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 1.23 0.00 0.00 65 I 8.89 4.83 1.94 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.70 1.09 0.00 0.00 66 R 8.86 5.28 0.00 1.98 1.90 0.00 3.10 0.00 0.00 3.33 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.82 0.00 67 Y 9.30 5.81 0.00 3.36 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 68 A 8.99 4.51 -0.14 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 69 N 8.80 4.35 0.00 2.83 2.72 0.00 0.00 6.81 8.29 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 70 G 5.38 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 G 7.12 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 72 T 8.27 4.29 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 73 A 7.35 4.83 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 74 N 8.61 4.54 0.00 2.83 2.92 0.00 0.00 6.62 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 75 R 8.20 5.01 0.00 1.66 2.03 0.00 3.30 0.00 0.00 3.50 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.75 0.00 76 N 8.13 4.57 0.00 2.72 2.80 0.00 0.00 6.63 7.58 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 77 G 8.99 4.53 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 0.00 0.00 0.00 78 S 9.01 5.23 0.00 3.91 3.75 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 79 L 9.22 5.30 0.00 1.75 1.59 0.94 0.84 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 80 V 8.95 5.12 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 0.81 0.00 0.00 0.97 0.00 0.00 81 I 8.74 4.77 2.03 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.86 0.99 0.00 0.00 82 N 9.92 4.06 0.00 2.96 2.86 0.00 0.00 6.51 7.40 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 83 G 8.94 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 84 G 8.26 4.03 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 0.00 0.00 0.00 85 S 7.71 4.26 0.00 4.06 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 86 N 9.40 4.96 0.00 2.86 2.82 0.00 0.00 7.00 7.76 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 87 G 6.28 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 88 N 7.82 5.34 0.00 2.45 2.66 0.00 0.00 6.78 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 89 Y 9.51 4.99 0.00 2.89 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 90 T 8.65 5.06 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 1.23 0.00 0.00 91 V 8.85 4.39 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 1.01 0.00 0.00 0.95 0.00 0.00 92 S 8.72 4.78 0.00 3.79 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 93 L 8.85 4.51 0.00 1.42 1.08 0.85 -0.15 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 94 P 0.00 5.18 0.00 2.10 2.09 0.00 3.47 0.00 0.00 2.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 1.85 0.00 95 T 8.44 3.97 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 1.15 0.00 0.00 96 T 8.45 4.17 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 0.86 0.00 0.00 97 G 9.05 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 98 A 6.62 4.02 1.07 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 99 W 8.45 4.07 0.00 2.90 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 0.00 100 T 7.60 4.56 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 1.37 0.00 0.00 101 T 7.21 4.51 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 1.14 0.00 0.00 102 W 8.79 4.88 0.00 3.09 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 0.00 103 Q 8.72 4.73 0.00 1.32 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.70 0.00 0.00 0.00 0.00 0.00 2.02 2.26 0.00 104 T 8.53 5.44 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 1.26 0.00 0.00 105 A 9.31 4.99 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 0.00 106 T 8.49 5.09 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 0.00 107 I 8.56 4.67 1.83 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 1.03 0.77 0.00 0.00 108 D 8.62 5.18 0.00 2.71 2.54 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 0.00 109 V 8.78 4.24 1.61 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 -0.13 0.00 0.00 0.77 0.00 0.00 110 D 8.85 5.24 0.00 2.68 2.68 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 0.00 111 L 8.52 4.55 0.00 1.63 1.67 0.90 0.83 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 0.00 112 V 8.73 4.40 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 0.64 0.00 0.00 1.04 0.00 0.00 113 Q 8.51 3.95 0.00 2.07 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 5.45 0.00 0.00 0.00 0.00 0.00 2.35 2.47 0.00 114 G 9.54 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 0.00 115 N 8.46 4.97 0.00 2.74 2.74 0.00 0.00 6.58 7.79 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 0.00 116 N 9.20 5.04 0.00 2.78 2.72 0.00 0.00 6.74 8.29 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 0.00 117 I 9.19 4.58 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 1.13 0.63 0.91 0.00 0.00 118 V 9.13 4.77 2.34 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 1.18 0.00 0.00 1.03 0.00 0.00 119 Q 9.04 4.88 0.00 2.14 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.55 0.00 0.00 0.00 0.00 0.00 2.25 2.21 0.00 120 L 8.97 5.12 0.00 2.11 1.74 1.01 1.00 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 0.00 121 S 9.04 5.32 0.00 3.77 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 0.00 122 A 8.93 4.48 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 0.00 123 T 8.72 4.32 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 0.00 124 T 7.71 4.62 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 0.00 125 A 8.41 4.29 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 0.00 126 E 8.11 4.12 0.00 2.04 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 2.37 2.29 0.00 127 G 7.66 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 0.00 128 L 8.01 4.43 0.00 1.72 1.72 1.05 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 129 P 0.00 4.90 0.00 2.22 2.33 0.00 3.73 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 1.85 2.12 0.00 130 N 9.29 4.96 0.00 2.59 2.72 0.00 0.00 7.29 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 9.20 5.07 2.24 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.25 1.43 0.00 0.00 132 D 10.08 4.66 0.00 2.24 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 0.00 133 S 7.87 4.98 0.00 4.02 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 0.00 134 L 8.51 4.93 0.00 0.32 0.52 0.43 0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 135 S 9.05 5.16 0.00 3.83 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 0.00 136 V 8.80 4.77 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 0.90 0.00 0.00 0.79 0.00 0.00 137 V 9.53 4.52 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 0.96 0.00 0.00 0.90 0.00 0.00 138 G 10.35 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 0.00 0.00 0.00 139 G 8.30 3.66 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 0.00 140 T 8.30 4.59 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 0.00 141 V 8.32 5.17 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 0.79 0.00 0.00 0.92 0.00 0.00 142 R 8.86 4.74 0.00 1.93 2.01 0.00 2.90 0.00 0.00 3.17 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.46 0.00 143 A 8.74 4.24 1.30 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 0.00 144 G 8.67 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 0.00 145 N 8.93 5.10 0.00 2.68 2.75 0.00 0.00 6.96 7.42 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 0.00 146 C 8.79 4.29 0.00 2.96 3.12 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 0.00 0.00 0.00 *147 G 7.98 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 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.