NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *2 F 4.5518 8.3249 119.0086 56.2286 39.6871 174.3692 3 E 4.1958 8.4386 120.5014 56.1970 30.2497 174.8057 4 K 4.6945 8.3364 119.4523 55.2022 35.1947 176.0347 5 Q 4.4199 8.5528 121.5016 54.6036 31.7036 174.2700 6 F 4.4923 8.8713 128.1902 58.2570 40.3868 173.7195 7 N 5.0498 7.9167 123.5839 52.0248 43.2377 172.6871 8 H 5.2461 8.3314 118.7122 55.1186 33.3987 172.7281 9 R 4.4864 8.8263 122.5975 54.7828 34.7388 174.2350 10 T 4.5393 8.5409 122.3711 63.5337 69.8289 174.7373 *11 L 4.6726 8.6876 128.7146 52.9524 43.4109 172.8015 12 E 4.5877 8.7638 125.3772 55.6347 30.2677 176.7169 13 T 4.6730 8.0355 112.2500 60.2429 72.0495 173.7055 14 S 4.3460 8.5975 114.3930 59.8206 63.4915 174.3228 15 L 4.5112 7.5941 121.9065 54.2453 41.6952 177.0766 16 G 3.9611 8.1036 106.5074 43.8221 0.0000 170.9680 17 P 4.7298 0.0000 0.0000 63.3346 32.3378 177.0450 18 V 4.3207 9.1480 123.0211 59.5216 34.6815 173.4348 19 E 4.4179 8.9691 127.3498 55.4899 30.2399 176.4998 20 I 4.8946 8.5723 127.8404 59.9359 38.7264 174.9845 21 E 4.8583 8.5372 124.7137 54.5328 33.4769 175.0649 22 G 4.4131 7.3326 108.0788 45.5541 0.0000 169.3586 23 P 5.0728 0.0000 0.0000 63.4035 31.8642 177.2427 24 V 4.2231 8.4868 122.3690 59.5418 32.6211 173.3757 25 T 4.2095 8.3557 114.9257 60.6124 69.6185 175.4607 26 S 4.0781 8.6200 117.4927 61.7204 62.5130 176.8793 27 Q 3.9028 7.8847 119.0305 59.2343 29.0365 178.5428 28 I 3.7915 7.3431 123.2168 64.3408 36.8219 179.2233 *29 L 4.1024 8.2883 123.0266 58.9048 40.4769 181.1020 30 A 4.2602 7.6213 118.1397 55.0121 18.4911 179.3665 31 T 3.9478 7.4466 114.1030 65.5918 68.3526 174.3862 32 Y 4.8082 6.6249 117.9806 57.2693 39.7910 174.9680 33 K 4.5333 9.0066 120.8231 54.5802 35.4154 175.9147 34 L 4.5540 8.6342 127.0180 54.5077 42.5168 178.0405 35 D 4.6245 8.3947 122.8232 55.0596 41.8054 170.8757 *36 P 4.4478 0.0000 0.0000 60.9065 30.8776 171.5113 37 G 4.0655 8.6992 97.6576 46.7721 0.0000 173.3572 38 L 5.1202 7.5708 126.1869 54.8488 43.1645 176.8548 39 T 4.9531 7.8396 109.5287 62.2705 70.0260 176.2516 40 A 4.2039 8.3078 127.1848 54.8934 19.3888 179.5939 *41 F 4.5014 7.8068 117.3656 55.3516 38.5717 176.1087 42 R 4.3936 8.3995 125.4321 55.7554 29.5781 176.5671 43 Q 4.1925 8.4126 118.8204 55.1388 30.8396 175.9427 44 P 4.2037 0.0000 0.0000 65.7948 31.0546 178.4944 45 A 4.0475 8.2172 121.3990 56.0606 18.4572 180.0200 46 E 3.9013 8.2586 118.5997 61.7549 30.0219 181.4164 47 Q 4.2744 8.4649 121.4331 60.0015 28.1968 180.6444 48 H 4.2283 8.1893 118.6714 59.6831 30.0364 176.8990 49 E 3.8781 7.7786 120.5488 59.2270 29.4359 178.6143 50 A 4.0268 7.9943 122.8109 55.7885 18.4507 180.2429 51 L 3.8496 7.5823 120.3587 59.5298 40.6774 181.5863 52 V 3.7736 7.2528 117.6911 65.7841 31.5841 177.7278 53 E 4.0930 8.2385 118.4264 59.4066 29.3172 179.3836 54 I 3.6656 7.6016 119.0705 64.4178 36.9907 178.4177 55 A 4.0403 7.6492 119.4838 54.9359 18.2195 179.1544 56 A 4.0960 7.5118 118.1931 53.5912 18.4029 178.0906 57 L 4.1983 7.1893 117.7559 54.2259 42.4078 177.8636 58 E 4.2119 8.8239 121.8286 58.4228 29.7161 177.4192 59 E 4.4086 7.8745 113.9992 55.9429 31.5388 176.4425 60 G 3.8514 7.1503 107.1962 46.7282 0.0000 173.3499 61 R 4.8832 9.1155 120.0843 54.4507 35.3855 174.7643 62 I 5.0387 8.2912 121.8485 59.9297 40.6882 173.9962 63 I 4.7610 8.5716 128.5920 60.2031 38.8299 175.3678 64 I 5.1262 8.7394 118.6341 59.0231 41.4441 173.9812 65 A 5.1252 8.8746 126.0336 50.2797 21.0716 175.7931 66 R 4.9043 8.8218 118.4176 54.7127 33.8711 174.8527 67 Q 4.4491 8.6511 118.5342 54.0079 31.9083 176.9652 68 G 3.9978 8.9999 117.6064 47.0167 0.0000 172.6586 69 N 5.0437 9.0416 121.5188 52.6064 38.8461 172.8633 70 D 5.3448 7.7425 119.5418 52.5032 43.1426 175.6983 71 I 4.2007 8.2962 128.1812 61.8751 37.2534 177.0432 72 I 4.1238 8.5936 127.3682 60.5157 36.7681 171.6849 73 G 4.3015 7.5697 106.3823 47.1440 0.0000 171.8223 74 Y 5.4721 7.9050 117.8031 56.1279 42.1186 173.7027 75 V 5.0078 8.9390 119.4117 60.3606 34.9719 174.3231 76 T 5.1216 8.6337 113.8141 60.1568 71.9405 173.1827 77 F 5.1505 8.6817 120.9249 56.0465 43.5668 173.7276 78 L 4.5508 8.6495 121.7907 55.0165 44.0776 173.3203 79 Y 4.7801 8.5425 117.5318 57.2560 38.2636 174.9600 80 P 5.1101 0.0000 0.0000 61.7975 32.2934 175.7096 81 D 4.3999 8.7692 119.7662 53.8742 41.4390 175.1715 82 P 4.2333 0.0000 0.0000 66.0800 31.3638 176.7600 83 Y 4.6633 8.1692 112.8435 58.6283 38.2501 174.6290 84 E 4.8384 8.2504 120.1424 54.1683 32.7215 177.0580 85 T 3.9659 7.9788 115.4926 65.9657 68.3886 176.5116 86 W 4.6401 7.6147 118.9922 58.0868 29.5899 176.7959 87 S 4.5817 8.0201 112.9926 59.2172 63.5173 174.3738 88 E 3.9712 7.6535 120.7801 58.4153 29.4450 178.1549 89 G 3.9102 8.8137 112.0801 44.9011 0.0000 172.7574 90 N 3.9707 8.0167 116.6438 54.1513 36.4423 174.2228 91 N 4.5725 7.6258 118.4028 52.4440 40.0938 173.7270 92 P 4.2915 0.0000 0.0000 65.1752 31.8717 176.4989 93 Y 4.3505 9.1794 116.3363 58.2443 38.2227 174.5581 94 I 4.8587 7.7132 122.0804 59.9610 38.0631 174.9728 95 L 4.7958 8.7092 129.6802 53.3514 45.1987 174.4498 96 E 5.0384 9.0076 123.2418 54.1263 32.7119 174.6934 97 L 3.6763 9.1437 130.0106 54.5360 41.3599 176.8047 98 G 3.8475 8.3117 114.0233 48.5820 0.0000 171.7144 99 A 4.7485 7.8433 121.6931 50.3001 23.3330 174.7313 100 I 4.7073 8.0910 119.2949 59.3157 40.7751 174.0684 101 E 4.5941 8.4442 129.7870 54.3466 33.2580 174.2313 102 V 4.7251 8.0738 124.1467 60.5978 35.0836 174.6378 103 A 4.4188 9.1110 128.8167 51.6508 19.0932 178.5426 104 A 4.0189 8.9636 124.0774 55.2082 18.7690 180.3407 105 R 3.9412 7.9765 111.0365 58.8701 29.7399 177.2124 106 F 4.5119 7.9550 116.1956 57.1364 38.8326 176.0187 107 R 4.0019 7.5948 117.6548 57.2444 29.6529 176.3245 108 G 3.8666 8.6793 106.4587 47.2009 0.0000 173.9390 109 Q 4.5365 7.9491 115.0527 54.5923 29.6402 175.4991 110 Q 3.3444 7.9988 114.9069 57.0078 26.7417 176.5804 111 I 3.8441 7.7956 118.7369 64.4974 37.7853 177.6733 112 G 3.6971 8.1645 108.4508 48.5512 0.0000 176.0688 113 K 3.9739 7.8872 125.2390 59.5921 31.7204 181.2697 114 K 4.2754 7.6393 118.3311 58.7370 32.0330 179.4588 115 L 3.9672 8.0806 119.7419 57.7423 41.3103 179.5382 116 L 4.0547 7.5603 117.1619 57.8037 41.6764 178.8423 117 E 4.1068 7.7306 116.7179 59.8315 29.5798 179.6057 118 V 3.7285 7.6949 116.3562 65.7178 31.5530 178.7964 119 S 4.1426 7.6407 112.6373 58.8561 62.7025 175.2949 *121 L 4.2295 7.9206 123.4223 54.4660 43.3901 176.8306 122 D 4.5117 7.8978 118.2043 52.8482 41.3850 174.2462 123 P 4.3455 0.0000 0.0000 65.3537 31.9313 178.1254 124 A 4.2746 8.5019 125.0570 51.6826 17.1453 178.6264 *126 E 4.3753 8.1177 120.2845 57.2240 31.6854 177.6095 127 H 4.4998 8.1880 114.6616 56.3465 29.7872 174.5031 128 Y 4.9906 7.7601 117.0739 56.1234 41.4181 174.6895 129 L 4.6496 9.4095 124.9332 53.8795 43.4673 175.0208 130 I 4.8904 8.6367 129.0858 60.0323 38.8118 175.3649 131 L 4.9363 8.6704 126.8694 54.3277 43.9532 175.1487 132 T 4.9802 8.0036 112.7358 60.8566 71.0402 172.0473 133 T 4.6736 8.3297 116.8950 59.8640 71.4048 173.1559 134 E 4.7427 8.4491 123.2396 54.7953 33.6477 174.2254 135 Y 4.7210 7.6261 120.5367 55.6449 41.1107 176.5222 136 Y 2.0000 8.5753 121.0300 58.5581 38.1455 177.7772 137 W 3.8555 5.7185 115.2460 57.2881 28.4128 175.9123 138 H 4.9539 6.5899 113.4733 54.9405 28.6587 173.7652 139 W 4.4687 7.1635 120.3020 56.7268 29.3878 176.4374 140 D 4.7380 8.5014 122.2860 53.3059 39.6637 176.7489 141 L 4.2543 8.4566 127.7639 57.7662 41.8390 179.3171 142 K 4.1226 8.1043 122.0808 59.9564 31.8773 180.8769 143 G 4.2561 8.2961 106.2164 46.2321 0.0000 174.7482 144 S 4.5426 7.7794 114.0756 57.9025 62.7692 174.7120 145 G 3.9396 8.3009 108.7063 45.9916 0.0000 172.9199 146 L 4.7666 7.7505 118.1001 52.4160 44.1833 177.2113 147 S 4.6177 8.3184 117.1601 57.4665 65.6719 175.5836 148 V 3.8358 8.3492 120.0506 66.2159 31.2361 177.5660 149 W 4.0721 8.3887 127.5862 60.2551 30.6597 177.6004 150 D 4.3290 8.0196 118.0967 57.3932 40.0469 178.0459 151 Y 3.6252 7.9136 118.8730 60.5009 38.8467 177.6857 152 R 3.5714 7.6770 120.6121 59.8854 30.4015 178.8311 153 K 3.9159 7.6310 123.3911 59.6489 31.3617 181.0382 154 I 3.7086 6.9574 117.4698 61.5842 36.8405 176.7757 *156 E 4.2511 8.0527 122.0485 56.1569 31.1952 177.0381 157 K 4.1468 7.3721 121.5615 56.6360 29.7290 176.1066 *160 N 5.2473 8.0835 119.4897 53.1456 40.8585 176.5644 161 H 4.0691 8.0440 116.7296 58.7192 29.9716 176.1014 162 G 3.7392 8.0021 105.8727 45.9535 0.0000 174.2416 163 G 3.9723 8.1495 108.6020 44.8749 0.0000 173.8305 164 L 4.4722 7.6361 120.3412 54.2730 42.6367 176.0044 165 V 4.7771 8.1916 115.5262 58.9508 35.3615 175.4136 166 F 4.4404 8.8071 125.4672 58.6503 39.9884 174.3083 167 F 4.8301 8.1627 124.1339 54.7470 41.8700 173.5303 168 P 4.3754 0.0000 0.0000 63.3012 31.9054 175.4694 169 T 4.7772 8.0621 113.6376 61.4007 70.0622 172.9165 170 D 4.8260 8.6970 125.5615 53.0390 39.9674 176.5934 171 D 4.3724 8.1885 120.6383 54.4277 41.9312 174.7877 172 P 4.3845 0.0000 0.0000 65.9616 31.6412 178.1590 173 E 4.3256 8.4444 116.4823 59.7568 29.2010 179.3770 174 I 3.9724 8.4042 119.1170 64.4847 37.0572 178.2924 175 A 4.3633 8.5914 120.4340 54.2318 18.2895 179.2877 176 S 4.3665 7.8290 112.2079 60.1149 63.7807 174.0271 177 H 4.8425 7.8314 121.2398 53.8746 32.8547 172.3460 178 P 4.4989 0.0000 0.0000 65.4381 31.5189 177.5196 179 A 4.4310 8.4638 121.5563 55.0823 18.6529 177.5973 180 N 4.8180 7.9073 111.9186 54.2380 39.4940 174.6367 181 C 4.8149 8.6690 113.9480 57.5576 33.5307 172.7717 182 L 5.0065 8.3188 121.7211 52.6687 44.8774 174.5817 *184 A 4.5585 8.1908 122.0562 51.8897 20.4906 175.5636 185 R 4.8403 9.2939 121.9572 54.7375 32.3054 175.2611 186 I 4.3623 8.4975 128.7720 59.7531 37.6512 176.1530 187 G 3.8554 8.6950 117.5050 46.8420 0.0000 174.3586 188 K 4.0395 9.7265 124.3667 57.1126 31.8096 177.9690 189 H 4.7596 8.0363 112.7534 55.5764 28.9160 175.1684 190 V 3.5768 7.5160 120.7406 62.3335 31.8965 175.9132 191 A 4.2136 8.0747 129.4829 51.1161 19.2157 176.4786 192 P 4.2932 0.0000 0.0000 65.6973 31.3010 179.1652 193 E 3.9677 8.0740 117.1762 59.2489 29.4153 179.3333 194 V 3.6722 7.5920 118.5423 65.9187 31.5324 178.3385 195 V 3.6996 7.7879 117.4236 65.9426 31.4949 177.7206 196 A 4.0078 8.4154 120.9558 55.3239 18.2025 179.1549 197 H 4.1840 8.3490 116.8991 59.2946 29.9692 177.1900 198 F 4.3640 8.4281 122.5238 61.6341 39.2070 176.8216 199 D 3.9971 8.3857 118.3258 57.2339 40.3404 178.7074 200 A 4.0026 7.6273 120.4100 54.7989 18.3773 179.4978 201 L 3.9611 7.5543 117.2995 57.8793 42.0362 179.4991 202 R 4.3049 8.0472 115.9621 57.6100 30.6109 176.3817 203 L 4.9640 7.3128 118.9960 53.3430 41.1094 176.6326 204 R 4.0002 7.9000 118.3679 57.2646 30.9306 177.4934 205 R 3.8120 9.6649 117.2701 56.8508 28.2135 178.2796 206 R 3.4645 7.9494 118.0638 58.1309 30.3262 175.7234 207 F 4.8114 7.2273 115.1155 55.8546 40.9663 174.5259 *209 Y 4.4542 8.4510 122.4585 58.2487 38.0755 175.3460 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 F 8.32 4.55 0.00 2.32 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 0.00 0.00 0.00 0.00 3 E 8.44 4.20 0.00 2.29 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 1.96 0.00 4 K 8.34 4.69 0.00 2.00 1.72 0.00 1.84 0.00 0.00 1.63 0.00 0.00 2.87 0.00 0.00 2.71 0.00 0.00 0.00 0.00 1.36 0.97 7.81 5 Q 8.55 4.42 0.00 1.98 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.83 0.00 0.00 0.00 0.00 0.00 2.30 2.33 0.00 6 F 8.87 4.49 0.00 3.02 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 7 N 7.92 5.05 0.00 2.43 2.47 0.00 0.00 6.13 7.67 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 8 H 8.33 5.25 0.00 3.04 3.14 0.00 5.69 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 R 8.83 4.49 0.00 1.57 1.63 0.00 3.26 0.00 0.00 3.08 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.67 0.00 10 T 8.54 4.54 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 1.23 0.00 0.00 *11 L 8.69 4.67 0.00 1.30 1.54 0.92 0.74 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 12 E 8.76 4.59 0.00 1.84 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.25 0.00 13 T 8.04 4.67 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 1.33 0.00 0.00 14 S 8.60 4.35 0.00 3.96 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 15 L 7.59 4.51 0.00 1.55 1.52 -0.12 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 16 G 8.10 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 17 P 0.00 4.73 0.00 2.11 2.08 0.00 3.74 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 2.01 1.99 0.00 18 V 9.15 4.32 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 0.00 0.00 0.93 0.00 0.00 19 E 8.97 4.42 0.00 1.89 1.99 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 2.33 2.44 0.00 20 I 8.57 4.89 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 1.22 0.90 0.90 0.00 0.00 21 E 8.54 4.86 0.00 1.89 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 2.26 2.46 0.00 22 G 7.33 4.41 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 0.00 23 P 0.00 5.07 0.00 2.13 2.09 0.00 3.91 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 1.95 0.00 24 V 8.49 4.22 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 0.00 0.00 0.93 0.00 0.00 25 T 8.36 4.21 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 1.21 0.00 0.00 26 S 8.62 4.08 0.00 3.86 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 27 Q 7.88 3.90 0.00 1.95 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 7.07 0.00 0.00 0.00 0.00 0.00 2.33 2.48 0.00 28 I 7.34 3.79 1.81 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 1.60 0.76 0.00 0.00 *29 L 8.29 4.10 0.00 1.64 1.68 0.92 1.13 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 30 A 7.62 4.26 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 31 T 7.45 3.95 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 1.10 0.00 0.00 32 Y 6.62 4.81 0.00 2.85 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 33 K 9.01 4.53 0.00 1.88 1.63 0.00 1.75 0.00 0.00 1.65 0.00 0.00 2.74 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.32 1.26 7.81 34 L 8.63 4.55 0.00 1.61 1.67 1.01 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 35 D 8.39 4.62 0.00 2.68 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 *36 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2.36 1.93 0.00 111 I 7.80 3.84 1.82 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.63 0.80 0.00 0.00 112 G 8.16 3.70 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 0.00 0.00 0.00 113 K 7.89 3.97 0.00 1.77 1.83 0.00 1.79 0.00 0.00 1.82 0.00 0.00 2.90 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.44 1.10 7.81 114 K 7.64 4.28 0.00 1.97 1.83 0.00 1.61 0.00 0.00 1.72 0.00 0.00 2.91 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.40 1.57 7.81 115 L 8.08 3.97 0.00 1.84 1.71 0.93 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 116 L 7.56 4.05 0.00 1.85 1.77 0.94 0.75 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 0.00 117 E 7.73 4.11 0.00 2.16 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 2.40 2.65 0.00 118 V 7.69 3.73 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 0.68 0.00 0.00 0.87 0.00 0.00 119 S 7.64 4.14 0.00 4.12 3.71 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.92 4.23 0.00 1.74 1.87 0.85 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 122 D 7.90 4.51 0.00 2.58 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 0.00 123 P 0.00 4.35 0.00 2.11 2.15 0.00 3.75 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.10 0.00 124 A 8.50 4.27 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.12 4.38 0.00 2.26 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 2.33 2.30 0.00 127 H 8.19 4.50 0.00 3.14 3.24 0.00 5.62 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 Y 7.76 4.99 0.00 2.90 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 0.00 129 L 9.41 4.65 0.00 1.67 1.54 0.74 0.53 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 0.00 130 I 8.64 4.89 1.92 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.87 1.08 0.00 0.00 131 L 8.67 4.94 0.00 1.54 1.41 0.63 0.40 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 0.00 132 T 8.00 4.98 4.16 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 1.16 0.00 0.00 133 T 8.33 4.67 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 0.87 0.00 0.00 134 E 8.45 4.74 0.00 1.95 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.46 0.00 135 Y 7.63 4.72 0.00 1.43 1.43 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.58 2.00 0.00 2.59 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 0.00 137 W 5.72 3.86 0.00 3.09 2.37 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 0.00 138 H 6.59 4.95 0.00 3.17 3.49 0.00 5.75 0.00 0.00 0.00 0.00 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 139 W 7.16 4.47 0.00 2.91 1.74 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 0.00 140 D 8.50 4.74 0.00 2.85 2.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 141 L 8.46 4.25 0.00 1.82 1.96 1.05 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 142 K 8.10 4.12 0.00 1.85 1.73 0.00 1.81 0.00 0.00 1.71 0.00 0.00 2.97 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.36 1.08 7.81 143 G 8.30 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 0.00 0.00 0.00 0.00 144 S 7.78 4.54 0.00 4.05 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 0.00 145 G 8.30 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 0.00 146 L 7.75 4.77 0.00 1.79 1.66 0.71 0.91 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 0.00 147 S 8.32 4.62 0.00 4.16 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 0.00 148 V 8.35 3.84 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 1.38 0.00 0.00 1.09 0.00 0.00 149 W 8.39 4.07 0.00 3.60 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 0.00 150 D 8.02 4.33 0.00 2.97 2.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 151 Y 7.91 3.63 0.00 3.00 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 0.00 152 R 7.68 3.57 0.00 1.67 1.60 0.00 3.28 0.00 0.00 2.55 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.06 0.00 153 K 7.63 3.92 0.00 1.79 1.81 0.00 1.86 0.00 0.00 1.65 0.00 0.00 2.89 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.37 1.36 7.81 154 I 6.96 3.71 1.68 0.00 0.00 0.71 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 0.84 0.63 0.00 0.00 *156 E 8.05 4.25 0.00 1.90 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 2.12 2.28 0.00 157 K 7.37 4.15 0.00 1.86 1.60 0.00 1.83 0.00 0.00 1.65 0.00 0.00 2.88 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.43 1.29 7.81 *160 N 8.08 5.25 0.00 3.02 2.86 0.00 0.00 7.25 8.16 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 0.00 161 H 8.04 4.07 0.00 3.02 3.31 0.00 5.94 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 162 G 8.00 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 0.00 0.00 0.00 163 G 8.15 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 0.00 164 L 7.64 4.47 0.00 1.78 1.62 0.97 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 165 V 8.19 4.78 1.93 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 0.61 0.00 0.00 0.61 0.00 0.00 166 F 8.81 4.44 0.00 3.14 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 0.00 167 F 8.16 4.83 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 0.00 168 P 0.00 4.38 0.00 2.11 2.12 0.00 3.86 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 2.16 2.33 0.00 169 T 8.06 4.78 4.36 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 1.35 0.00 0.00 170 D 8.70 4.83 0.00 2.83 2.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 171 D 8.19 4.37 0.00 2.95 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 0.00 172 P 0.00 4.38 0.00 2.19 2.26 0.00 3.82 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 2.24 2.50 0.00 173 E 8.44 4.33 0.00 2.64 2.37 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 2.49 2.57 0.00 174 I 8.40 3.97 2.11 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.63 1.00 0.00 0.00 175 A 8.59 4.36 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 0.00 176 S 7.83 4.37 0.00 4.15 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 0.00 177 H 7.83 4.84 0.00 3.29 3.25 0.00 5.59 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 178 P 0.00 4.50 0.00 2.40 2.24 0.00 3.34 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.89 0.00 179 A 8.46 4.43 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 0.00 0.00 0.00 0.00 0.00 0.00 180 N 7.91 4.82 0.00 3.12 2.72 0.00 0.00 6.84 7.08 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 0.00 181 C 8.67 4.81 0.00 3.27 3.38 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 0.00 0.00 0.00 0.00 182 L 8.32 5.01 0.00 1.62 1.54 0.41 1.37 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 *184 A 8.19 4.56 1.09 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 0.00 185 R 9.29 4.84 0.00 1.83 1.82 0.00 3.19 0.00 0.00 3.18 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.67 0.00 186 I 8.50 4.36 1.93 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.75 0.92 0.00 0.00 187 G 8.70 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 0.00 188 K 9.73 4.04 0.00 1.75 1.75 0.00 1.80 0.00 0.00 1.70 0.00 0.00 2.92 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.39 1.29 7.81 189 H 8.04 4.76 0.00 2.99 3.16 0.00 5.82 0.00 0.00 0.00 0.00 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 190 V 7.52 3.58 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.70 0.00 0.00 1.03 0.00 0.00 191 A 8.07 4.21 1.12 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 0.00 0.00 192 P 0.00 4.29 0.00 2.16 2.12 0.00 3.56 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 2.10 2.17 0.00 193 E 8.07 3.97 0.00 2.01 1.99 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 2.39 2.42 0.00 194 V 7.59 3.67 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 1.10 0.00 0.00 0.78 0.00 0.00 195 V 7.79 3.70 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 1.15 0.00 0.00 0.99 0.00 0.00 196 A 8.42 4.01 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 197 H 8.35 4.18 0.00 3.43 3.56 0.00 5.62 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 198 F 8.43 4.36 0.00 3.08 3.22 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 0.00 199 D 8.39 4.00 0.00 2.86 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 0.00 200 A 7.63 4.00 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 0.00 201 L 7.55 3.96 0.00 1.92 1.76 1.12 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 202 R 8.05 4.30 0.00 2.03 2.00 0.00 2.57 0.00 0.00 2.25 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.45 0.00 203 L 7.31 4.96 0.00 1.72 1.60 0.91 0.85 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 0.00 204 R 7.90 4.00 0.00 1.63 1.82 0.00 3.49 0.00 0.00 3.05 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.41 0.00 205 R 9.66 3.81 0.00 1.80 1.90 0.00 3.13 0.00 0.00 3.09 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.67 0.00 206 R 7.95 3.46 0.00 1.39 1.29 0.00 2.82 0.00 0.00 2.90 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.07 0.00 207 F 7.23 4.81 0.00 3.19 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 *209 Y 8.45 4.45 0.00 3.02 2.92 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 * Residues marked with a * may have inaccurate shift predictions.