NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 4.4241 8.1776 115.2863 58.1095 63.7565 174.5308 3 S 4.0490 8.3853 120.9284 59.7191 62.9023 175.2778 4 T 3.8170 8.1758 114.2197 64.4035 69.1301 177.3380 5 A 4.0623 7.4916 122.7263 54.7572 18.8468 178.9986 6 L 4.0619 7.8800 119.1850 58.0422 42.1862 179.1994 7 E 3.9659 8.1034 114.1543 57.2475 29.1343 178.2396 *9 A 4.1248 7.9427 124.6927 52.7726 20.9399 179.7576 10 S 3.9266 7.6991 109.6068 61.3260 62.0881 176.3990 11 R 3.8062 7.2820 120.1018 59.3618 29.7402 178.1668 12 F 4.6791 7.5255 117.0973 60.6254 38.8247 177.6606 13 V 3.3409 7.7855 118.0135 66.0155 31.1934 177.5578 14 N 4.5762 7.7521 112.9940 55.0362 38.4861 177.0728 15 R 4.1954 7.6949 118.9711 57.0046 30.4918 176.1901 16 S 4.7395 7.4676 114.8997 56.0716 63.5754 172.7078 17 P 4.3521 0.0000 0.0000 65.7801 31.0961 178.4125 18 F 4.5482 8.3202 118.8708 61.4419 39.2194 176.5363 19 N 4.2807 8.0498 114.8471 56.6506 38.6587 177.2742 20 R 4.0716 8.2724 119.2274 58.9280 29.9436 178.6835 21 W 4.2067 8.4222 127.5436 60.6494 30.9136 177.4827 22 L 3.9630 8.2205 117.1186 53.5820 40.8548 173.0795 23 G 3.7681 7.4426 116.7027 44.7265 0.0000 173.3961 *25 S 4.2107 8.1327 118.8747 58.1108 65.1772 172.6638 26 V 4.4635 8.0902 120.1714 61.8508 31.6647 175.2235 27 L 4.3716 9.0764 129.2050 57.0229 42.5523 177.4534 28 E 4.8532 7.9504 116.2858 54.7501 34.1999 174.7625 29 A 4.9646 8.0975 125.3730 50.9646 22.9262 176.2531 30 G 4.0209 8.1425 110.0753 46.1411 0.0000 173.5169 31 E 4.0407 9.1393 118.4703 59.6659 29.7764 178.4357 32 Q 4.1582 8.2944 116.5700 57.0099 29.8884 177.1845 33 G 3.8994 6.0852 104.7386 45.7007 0.0000 170.7008 34 I 5.0872 8.0312 122.3216 59.1836 42.2410 175.4933 35 V 4.9678 8.9883 126.4568 61.1958 34.4884 174.3560 36 L 5.2699 9.2470 127.5058 52.9563 45.2478 175.5957 37 G 4.5792 8.8736 107.7293 44.4625 0.0000 171.9869 38 I 4.8046 8.5523 115.0774 58.7132 41.5010 174.0890 39 K 4.9427 8.4499 122.9052 54.4615 33.2189 176.6803 40 W 4.3676 9.5414 135.0000 57.5356 31.5607 175.4068 41 R 4.0529 6.7448 119.7461 53.9665 32.0869 175.5532 42 E 3.4663 8.1050 118.8139 59.6832 29.5264 179.3868 43 E 4.1751 7.6615 116.0970 58.4750 29.7994 177.7932 44 L 4.2521 7.6201 118.7993 56.3002 42.0360 177.1330 45 I 4.3110 7.3815 120.6407 61.4251 36.8846 174.7417 46 S 4.2306 8.5580 121.5120 58.8890 62.9003 173.3845 47 S 4.5332 7.8791 113.4179 56.4197 63.0119 173.7030 48 P 4.4802 0.0000 0.0000 65.0345 31.6356 177.5342 49 E 4.0620 7.7685 118.0922 59.2487 29.3270 178.0111 50 I 4.1081 7.6938 108.3957 60.0685 38.9573 175.2721 51 R 3.8270 7.6315 120.2161 57.3024 28.1677 176.2144 52 S 4.7890 7.4728 112.2238 57.9422 65.5192 175.2822 53 T 4.6468 9.1378 120.5753 63.5563 69.1036 174.1634 54 H 4.1268 9.3730 126.9783 56.3423 30.6550 176.6606 55 G 3.7326 8.8320 111.1920 47.7042 0.0000 176.2028 56 G 3.7726 8.5906 107.5945 47.8276 0.0000 175.7623 57 I 3.9417 7.8762 121.8844 64.2938 37.2405 178.4267 58 L 4.0914 8.1519 119.2017 57.7636 41.4703 179.2998 59 A 4.0197 8.5942 121.0440 55.5646 18.2929 179.5789 60 T 3.9408 8.2333 114.2878 67.1453 68.5237 176.7092 61 L 4.0831 8.0128 120.7167 57.5395 41.7287 179.7071 62 V 3.6102 7.7380 118.2560 65.9427 31.4665 177.6802 63 D 4.3959 8.4444 117.7400 57.2272 41.0442 177.8248 64 A 3.7400 8.2980 121.2623 55.1832 18.4558 179.3572 65 A 4.1294 8.1021 119.2345 55.3691 18.4279 180.1157 66 G 3.8619 8.0157 105.2632 47.3647 0.0000 175.2260 67 D 3.3700 7.8867 120.6669 57.2031 41.2064 178.2256 68 Y 4.5568 7.6252 116.8254 60.7144 37.5862 178.2319 69 A 4.0246 7.9103 121.5062 54.9332 18.6686 179.5191 70 V 3.5892 7.8138 116.7019 66.1239 31.5464 178.0788 71 A 4.2722 8.2389 122.1860 54.6154 17.9335 179.5139 72 L 4.0459 7.9522 116.5116 57.2765 41.6525 178.9249 73 K 4.1814 7.9095 117.6578 57.8816 32.8665 178.2446 74 T 4.3380 7.8367 108.6750 62.1563 69.4172 175.8714 75 G 4.1705 9.8224 109.2213 45.1626 0.0000 172.5893 76 H 4.4892 7.9472 114.2456 52.8097 31.6405 171.5328 77 P 4.3810 0.0000 0.0000 62.9590 31.8011 176.0859 78 V 4.7158 8.2715 113.8156 58.6984 35.1451 174.0199 79 P 4.5233 0.0000 0.0000 63.3454 32.7498 176.3474 80 T 4.5999 8.3549 119.4522 62.8528 70.6873 172.5361 *82 D 4.2454 8.0802 119.1665 53.5756 40.6293 173.1241 *84 H 4.8268 8.3407 116.8782 56.5293 31.3351 173.5677 85 V 4.7004 7.8805 123.3391 59.9275 34.1847 174.2020 86 D 4.7157 8.8477 124.3264 52.7832 43.1788 174.8150 87 Y 4.6205 8.3861 120.7624 57.1547 38.7740 174.7721 88 H 4.8910 9.2045 122.2247 56.9939 30.5081 175.9051 89 R 4.7151 7.7954 113.8581 53.8913 34.1082 174.8765 90 V 3.5237 8.3794 120.2784 63.1199 32.0820 175.7337 91 A 4.5845 8.5202 129.6049 50.9592 19.0479 176.7200 92 T 4.4090 8.2697 111.4214 61.1506 70.4525 172.7408 93 P 3.6175 0.0000 0.0000 61.4225 31.4922 176.2981 94 G 4.1965 7.3646 114.7023 44.3021 0.0000 171.9308 95 D 4.7348 8.0613 121.0006 54.2476 41.8367 175.7858 96 L 5.1086 8.2766 120.1028 52.9874 45.8023 175.4149 97 R 5.2267 9.0638 121.5347 54.4944 33.4475 174.1346 98 A 5.2757 8.9646 127.0819 50.2729 22.1010 174.6343 99 E 4.8697 9.2999 123.5482 55.3620 31.1832 175.8291 100 G 4.6032 9.1875 112.5125 44.7465 0.0000 171.9178 101 Q 4.9001 8.6244 122.3162 54.4474 33.1153 173.5855 102 V 4.1867 8.4646 126.8182 63.4074 31.7792 175.0358 103 I 4.2639 9.0947 129.1410 63.0172 38.3981 175.7448 104 H 4.9810 8.0885 120.4855 54.2997 33.5273 171.6839 105 F 4.9047 8.7434 126.6205 56.8396 41.4122 173.8094 106 G 3.9779 8.4502 117.4538 43.6157 0.0000 171.7825 107 K 3.9119 8.3081 119.1135 57.8895 32.6985 177.9071 108 R 4.3849 7.6223 113.4530 55.9724 32.2956 175.5030 109 F 5.6111 7.7933 116.0308 55.4200 43.3520 174.1133 110 A 5.3412 9.2995 122.1472 50.7207 22.8986 175.0450 111 T 5.2170 9.2297 117.7342 61.8499 71.5245 173.5312 112 A 5.2668 9.1473 126.1905 50.5805 23.2354 174.4500 113 H 5.5905 9.3835 115.9843 54.1147 32.5380 173.2007 114 A 5.9019 9.3130 121.6939 49.4051 23.2529 175.2329 115 R 4.9582 8.3971 116.9011 54.5186 34.5677 174.2869 116 V 4.7723 9.0162 124.3626 61.2515 33.5900 174.4523 117 L 5.2260 9.4652 128.4806 54.3497 45.5050 176.2623 118 D 4.2877 9.2006 123.2773 54.9684 37.5475 177.9519 *120 D 4.4239 9.2774 117.9150 53.0355 43.2197 176.0718 121 G 3.9062 8.5728 107.6397 45.6377 0.0000 173.1488 122 N 4.5909 8.2782 117.5701 51.7202 39.4335 174.4375 123 L 4.5437 8.4361 124.8682 55.2742 42.4145 176.4429 124 V 4.2932 8.8169 120.2304 63.0591 33.4980 175.8116 125 A 5.0664 7.7785 119.9328 51.1952 22.8818 174.9385 126 S 4.9045 8.3491 113.1948 57.1907 67.4544 172.9389 127 G 4.2992 8.1145 106.9911 46.2705 0.0000 171.9767 128 R 5.4486 8.6604 115.4122 54.8424 33.1284 174.4299 129 A 4.6378 8.6994 119.4582 50.7542 23.0153 174.8932 130 L 4.9133 7.9772 123.3233 53.8248 43.4899 175.4330 131 Y 5.0637 9.3827 123.2602 56.1426 41.8461 174.0650 132 L 4.8371 8.5494 124.3848 53.8512 43.6842 175.6480 133 I 4.5389 8.6949 128.0458 59.5627 38.5116 176.0964 134 R 4.1149 8.3618 122.9471 56.2423 29.5257 175.0316 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 S 8.18 4.42 0.00 3.85 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 3 S 8.39 4.05 0.00 4.14 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 4 T 8.18 3.82 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 1.19 0.00 0.00 5 A 7.49 4.06 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 6 L 7.88 4.06 0.00 2.03 1.75 0.90 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 7 E 8.10 3.97 0.00 2.19 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 2.22 2.45 0.00 *9 A 7.94 4.12 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 10 S 7.70 3.93 0.00 4.07 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 11 R 7.28 3.81 0.00 1.78 1.54 0.00 3.32 0.00 0.00 3.15 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.63 0.00 12 F 7.53 4.68 0.00 3.01 2.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 V 7.79 3.34 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 0.96 0.00 0.00 0.38 0.00 0.00 14 N 7.75 4.58 0.00 2.76 2.86 0.00 0.00 7.14 6.98 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 15 R 7.69 4.20 0.00 2.05 2.08 0.00 3.25 0.00 0.00 3.23 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.98 0.00 16 S 7.47 4.74 0.00 3.95 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 17 P 0.00 4.35 0.00 2.28 2.17 0.00 3.74 0.00 0.00 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.21 0.00 18 F 8.32 4.55 0.00 3.05 3.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 N 8.05 4.28 0.00 3.09 2.92 0.00 0.00 7.12 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 R 8.27 4.07 0.00 2.07 2.02 0.00 3.17 0.00 0.00 3.31 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.94 0.00 21 W 8.42 4.21 0.00 3.36 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 22 L 8.22 3.96 0.00 1.74 1.51 0.44 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 23 G 7.44 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 *25 S 8.13 4.21 0.00 3.91 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 26 V 8.09 4.46 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 0.78 0.00 0.00 0.81 0.00 0.00 27 L 9.08 4.37 0.00 1.53 1.70 0.97 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 28 E 7.95 4.85 0.00 1.86 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 0.00 2.28 2.30 0.00 29 A 8.10 4.96 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 30 G 8.14 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 31 E 9.14 4.04 0.00 1.95 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 2.29 2.26 0.00 32 Q 8.29 4.16 0.00 2.02 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.14 0.00 0.00 0.00 0.00 0.00 2.36 2.42 0.00 33 G 6.09 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 34 I 8.03 5.09 1.92 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 1.18 1.65 1.08 0.00 0.00 35 V 8.99 4.97 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.00 0.00 0.95 0.00 0.00 36 L 9.25 5.27 0.00 1.64 1.56 1.14 0.54 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 37 G 8.87 4.58 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 0.00 0.00 0.00 38 I 8.55 4.80 1.97 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 1.25 0.96 0.89 0.00 0.00 39 K 8.45 4.94 0.00 1.54 1.74 0.00 1.72 0.00 0.00 1.62 0.00 0.00 2.79 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.54 1.46 7.81 40 W 9.54 4.37 0.00 3.29 3.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 R 6.74 4.05 0.00 1.60 1.49 0.00 2.21 0.00 0.00 2.25 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 1.04 0.00 42 E 8.11 3.47 0.00 1.89 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 2.52 2.38 0.00 43 E 7.66 4.18 0.00 2.09 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 0.00 2.55 2.47 0.00 44 L 7.62 4.25 0.00 1.50 1.64 0.78 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 45 I 7.38 4.31 2.06 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.71 1.03 0.00 0.00 46 S 8.56 4.23 0.00 3.74 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 47 S 7.88 4.53 0.00 3.92 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 48 P 0.00 4.48 0.00 2.25 2.20 0.00 3.85 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.01 0.00 49 E 7.77 4.06 0.00 2.05 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.31 0.00 50 I 7.69 4.11 1.88 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 1.42 0.69 0.91 0.00 0.00 51 R 7.63 3.83 0.00 1.96 2.06 0.00 3.19 0.00 0.00 3.28 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.68 0.00 52 S 7.47 4.79 0.00 3.92 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 53 T 9.14 4.65 4.44 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 1.35 0.00 0.00 54 H 9.37 4.13 0.00 3.42 3.23 0.00 5.59 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 G 8.83 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 56 G 8.59 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 57 I 7.88 3.94 2.14 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 1.68 1.11 0.99 0.00 0.00 58 L 8.15 4.09 0.00 2.15 1.85 1.19 1.18 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 59 A 8.59 4.02 1.46 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 0.00 0.00 60 T 8.23 3.94 4.60 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 1.45 0.00 0.00 61 L 8.01 4.08 0.00 2.00 1.77 0.99 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 62 V 7.74 3.61 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 1.01 0.00 0.00 0.99 0.00 0.00 63 D 8.44 4.40 0.00 2.84 2.72 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 64 A 8.30 3.74 1.55 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 0.00 0.00 65 A 8.10 4.13 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.02 3.86 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 0.00 0.00 0.00 67 D 7.89 3.37 0.00 2.54 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 0.00 0.00 0.00 0.00 68 Y 7.63 4.56 0.00 3.10 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 69 A 7.91 4.02 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 70 V 7.81 3.59 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 1.11 0.00 0.00 0.83 0.00 0.00 71 A 8.24 4.27 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 L 7.95 4.05 0.00 1.77 1.75 0.96 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 73 K 7.91 4.18 0.00 1.40 1.10 0.00 1.37 0.00 0.00 0.88 0.00 0.00 2.87 0.00 0.00 2.71 0.00 0.00 0.00 0.00 1.14 1.20 7.81 74 T 7.84 4.34 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 1.36 0.00 0.00 75 G 9.82 4.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 H 7.95 4.49 0.00 3.22 3.33 0.00 5.47 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 77 P 0.00 4.38 0.00 1.96 1.98 0.00 3.24 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.35 0.00 78 V 8.27 4.72 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 0.69 0.00 0.00 0.70 0.00 0.00 79 P 0.00 4.52 0.00 2.16 2.21 0.00 3.95 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.03 0.00 80 T 8.35 4.60 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.00 0.00 *82 D 8.08 4.25 0.00 2.87 2.83 0.00 0.00 0.00 0.00 0.00 0.00 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 H 8.34 4.83 0.00 3.22 3.21 0.00 5.61 0.00 0.00 0.00 0.00 6.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 V 7.88 4.70 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.63 0.00 0.00 0.42 0.00 0.00 86 D 8.85 4.72 0.00 2.47 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 87 Y 8.39 4.62 0.00 2.83 2.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 H 9.20 4.89 0.00 3.03 3.36 0.00 5.80 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 R 7.80 4.72 0.00 1.79 1.80 0.00 3.24 0.00 0.00 3.17 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.65 0.00 90 V 8.38 3.52 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 0.79 0.00 0.00 0.94 0.00 0.00 91 A 8.52 4.58 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 92 T 8.27 4.41 4.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 93 P 0.00 3.62 0.00 1.24 0.52 0.00 3.62 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 2.12 0.00 94 G 7.36 4.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 D 8.06 4.73 0.00 2.59 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 96 L 8.28 5.11 0.00 1.65 1.57 1.03 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 97 R 9.06 5.23 0.00 1.85 1.74 0.00 3.04 0.00 0.00 3.19 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.56 0.00 98 A 8.96 5.28 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 99 E 9.30 4.87 0.00 1.95 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.28 0.00 100 G 9.19 4.60 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 0.00 101 Q 8.62 4.90 0.00 2.14 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.96 0.00 0.00 0.00 0.00 0.00 2.26 2.53 0.00 102 V 8.46 4.19 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 0.91 0.00 0.00 0.94 0.00 0.00 103 I 9.09 4.26 1.93 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.16 0.89 0.00 0.00 104 H 8.09 4.98 0.00 3.24 3.15 0.00 5.80 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 F 8.74 4.90 0.00 2.93 2.90 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 0.00 106 G 8.45 3.98 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 K 8.31 3.91 0.00 1.62 1.71 0.00 1.63 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.33 1.30 7.81 108 R 7.62 4.38 0.00 1.09 1.74 0.00 3.08 0.00 0.00 3.16 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.18 0.00 109 F 7.79 5.61 0.00 2.99 2.91 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 0.00 110 A 9.30 5.34 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 0.00 111 T 9.23 5.22 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 1.26 0.00 0.00 112 A 9.15 5.27 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 0.00 113 H 9.38 5.59 0.00 3.05 3.18 0.00 5.58 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 A 9.31 5.90 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 R 8.40 4.96 0.00 1.74 1.80 0.00 3.12 0.00 0.00 3.47 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.63 0.00 116 V 9.02 4.77 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 1.14 0.00 0.00 0.97 0.00 0.00 117 L 9.47 5.23 0.00 1.55 1.52 0.98 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 118 D 9.20 4.29 0.00 2.90 2.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *120 D 9.28 4.42 0.00 2.85 2.79 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 0.00 121 G 8.57 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 0.00 0.00 0.00 122 N 8.28 4.59 0.00 3.10 2.75 0.00 0.00 6.67 6.13 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 0.00 123 L 8.44 4.54 0.00 1.59 1.60 1.05 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 124 V 8.82 4.29 2.30 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 0.77 0.00 0.00 1.04 0.00 0.00 125 A 7.78 5.07 1.15 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 0.00 0.00 126 S 8.35 4.90 0.00 4.00 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 0.00 127 G 8.11 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 0.00 128 R 8.66 5.45 0.00 1.96 1.95 0.00 3.12 0.00 0.00 3.24 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.58 0.00 129 A 8.70 4.64 0.96 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 0.00 130 L 7.98 4.91 0.00 1.56 1.55 0.94 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 131 Y 9.38 5.06 0.00 3.02 2.84 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 0.00 132 L 8.55 4.84 0.00 1.81 1.65 0.95 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 133 I 8.69 4.54 1.79 0.00 0.00 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.74 0.90 0.00 0.00 134 R 8.36 4.11 0.00 1.81 1.78 0.00 3.05 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.56 0.00 * Residues marked with a * may have inaccurate shift predictions.