NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 E 4.3459 8.4293 121.4711 56.0917 30.3139 174.7140 4 E 4.6512 8.3742 123.0820 53.1811 32.5919 171.1328 5 E 4.6344 8.7230 118.6885 54.2284 33.5550 176.2753 6 A 4.0696 8.5387 124.5170 52.0799 19.0495 176.9195 7 E 4.0052 8.5542 122.0006 55.8862 30.2291 176.7404 8 Q 4.1416 8.6374 125.6386 56.2087 29.3464 175.4261 9 N 5.0877 8.3804 119.3002 50.2908 43.0571 175.3033 10 L 3.8688 8.5331 122.4088 58.4335 42.3340 179.5409 11 S 4.3808 8.0322 114.1784 60.7765 62.6809 175.4598 12 E 4.1824 7.9832 120.9746 58.0752 29.4983 177.8028 13 L 4.3298 7.5664 117.5080 56.0144 42.2378 177.4705 14 S 4.7963 7.4222 115.0663 58.7066 63.8822 175.2177 15 G 3.7937 8.3704 110.1939 44.0931 0.0000 169.8643 16 P 5.1094 0.0000 0.0000 62.8078 32.3266 175.7027 17 W 5.4931 9.0512 123.0243 54.9833 33.1595 174.8996 18 R 5.0530 9.5779 120.4977 54.7791 34.0166 174.8228 19 T 4.1332 8.8080 119.1272 63.9186 68.8510 173.6420 20 V 3.9422 8.3349 125.8179 64.0995 32.5813 175.0841 21 Y 5.0093 7.2173 116.5437 56.2981 42.6214 173.8323 22 I 4.8830 8.3930 121.8044 59.7463 41.0888 174.7901 23 G 4.2677 9.1616 114.1731 44.5880 0.0000 172.0413 24 S 5.2560 8.2666 115.2832 56.5318 65.1060 174.2157 25 T 4.0278 8.6994 116.5811 63.4990 69.7956 173.7712 26 N 4.8187 8.0341 120.7565 50.4728 40.0297 172.5439 27 P 4.3101 0.0000 0.0000 66.0185 31.2211 177.9145 28 E 4.0232 8.3665 116.8874 59.3065 29.2740 179.3467 29 K 4.3106 8.2694 119.1105 58.0340 31.8564 178.0691 30 I 4.5792 7.4159 109.8959 60.3819 38.4294 175.5101 31 Q 4.3063 7.6149 120.6404 54.8547 29.4806 174.7597 32 E 4.0203 8.5206 119.3771 58.4706 29.6254 176.5910 33 N 4.6285 8.4072 120.6818 53.8447 35.9429 174.5592 34 G 3.9499 8.3733 108.9790 44.2747 0.0000 173.7002 35 P 4.3266 0.0000 0.0000 64.7175 31.5933 177.1298 36 F 4.5946 8.3377 116.6531 57.3453 39.3647 177.0327 37 R 4.3730 7.5437 123.1859 54.9610 28.1682 175.2900 38 T 4.7976 7.5925 109.0205 60.5098 70.7317 174.7811 39 Y 4.5616 9.2939 125.0529 56.4878 38.7981 175.2704 40 F 4.9299 9.4461 124.2082 58.3046 39.7575 174.7779 41 R 4.7173 9.5255 119.4583 57.5282 32.6442 175.5726 42 E 5.3988 8.0266 116.1789 55.0761 34.5152 173.7588 43 L 4.9832 9.0454 121.0684 52.8681 46.1476 175.8031 44 V 4.5623 8.1594 122.0593 61.2158 34.2690 174.0200 45 F 4.9909 9.3393 127.5696 56.0412 40.8879 175.3288 46 D 4.7056 8.9546 122.4623 52.5060 42.8365 175.7655 47 D 4.4761 9.0500 126.6285 57.5581 41.3129 178.4131 48 E 4.1388 8.4043 116.9682 59.4979 29.5213 178.5389 49 K 4.0792 8.4795 116.1251 56.9049 32.7816 176.9449 50 G 3.8613 8.3830 107.4712 46.8902 0.0000 172.7486 51 T 5.3217 7.6215 107.0656 59.6629 73.4188 173.2832 52 V 4.4637 8.3815 121.2757 61.1976 34.9077 173.5872 53 D 5.0189 8.6876 128.1914 52.7612 42.9586 175.2389 54 F 4.5551 8.9970 122.6881 55.7560 41.5267 174.3555 55 Y 4.8906 8.5628 121.0216 56.1129 41.0559 174.8397 56 F 5.4908 8.4260 118.5455 55.9503 42.4291 173.0641 57 S 5.6182 9.6165 114.1037 57.0183 66.6067 174.1064 58 V 5.1725 9.1003 121.7795 60.3574 34.9319 173.4081 59 K 4.2350 8.3548 124.5784 55.3075 33.7538 175.3848 60 R 4.5630 8.7140 127.1395 55.6265 32.9078 174.6019 61 D 4.3750 9.6330 125.4899 55.6523 38.1605 174.5091 62 G 3.8645 8.1474 103.9411 45.7658 0.0000 173.7756 63 K 4.6521 7.5849 118.8901 53.8678 35.7545 175.6770 64 W 4.7751 8.9001 124.5683 56.6445 29.9936 175.7800 65 K 4.8173 9.4468 123.4510 54.6970 35.6027 174.7265 66 N 5.3109 8.7908 120.7852 52.0191 40.0681 174.6351 67 V 4.2804 8.6686 123.4408 61.0344 35.1154 173.4523 68 H 4.8569 8.4684 125.7760 54.1422 32.3955 172.8264 69 V 4.1858 8.1647 124.6831 60.8387 34.8520 173.6282 70 K 4.8404 8.5693 128.5623 54.7430 33.6832 174.8975 71 A 5.0499 8.9694 129.4356 50.6126 22.0936 175.2601 72 T 5.0729 8.6488 116.7423 61.4324 71.7662 173.7916 73 K 3.7917 8.9866 128.1644 56.2474 33.0296 176.3322 74 Q 4.5750 8.7721 125.4316 53.8953 31.1184 176.4887 75 D 4.3410 8.6940 119.3156 57.8062 40.7475 178.0619 76 D 4.4352 7.9122 115.0565 54.2173 39.4560 176.9031 77 G 3.9053 8.3188 110.0327 45.3580 0.0000 173.8938 78 T 4.5271 8.5090 110.7060 61.6251 70.9053 173.0575 79 Y 5.2420 9.2941 118.7674 56.3103 41.8276 175.4248 80 V 5.1102 8.7673 115.0036 59.9203 35.2903 174.6401 81 A 4.8337 8.7952 124.0603 50.8312 23.1811 174.7420 82 D 4.9611 8.4574 120.4528 53.3188 42.3849 175.6882 83 Y 4.3784 9.0688 125.0784 57.9322 41.8063 173.8000 84 E 3.4573 9.5556 129.1206 57.7727 27.7116 172.7244 85 G 3.8090 7.7366 103.6948 44.2192 0.0000 172.4761 86 Q 4.9845 8.5434 117.5733 54.6599 31.1982 174.9535 87 N 5.6169 8.9575 119.0895 51.5379 43.2826 173.6134 88 V 4.7861 8.7437 121.9031 61.2273 34.6093 173.7388 89 F 5.3018 9.7461 131.1008 56.2658 41.9359 173.8084 90 K 4.8954 8.7353 127.3818 54.5944 35.0628 174.6828 91 I 4.1865 8.5150 128.2169 60.8629 37.1592 175.7296 92 V 3.9936 8.6924 128.5035 65.0000 32.4808 176.3506 93 S 4.7755 7.8382 113.6534 56.9559 65.9048 172.8662 94 L 5.1247 8.4255 127.8373 54.1289 44.8347 174.6151 95 S 4.6115 8.8263 119.2976 57.0730 66.0672 174.4527 96 R 3.7153 8.7255 119.7495 59.0091 29.8386 176.8567 97 T 4.5564 7.9962 106.0437 61.4661 71.4960 173.4145 98 H 5.8775 8.1593 116.6429 54.1579 33.0037 172.2360 99 L 5.1790 9.3738 120.4587 53.8467 45.6982 174.5031 100 V 5.0528 9.2137 126.3520 61.1855 34.2248 174.1286 101 A 5.0122 9.0301 128.2241 50.4283 23.3650 173.8299 102 H 5.2705 8.6954 119.0032 54.2910 32.9270 172.0425 103 N 5.4081 9.3444 124.2351 51.7683 42.4515 172.7422 104 I 4.8049 8.5938 126.0985 59.4972 39.9386 173.9515 105 N 5.5140 9.2177 126.1579 51.6400 42.2252 173.2392 106 V 4.8134 8.6241 125.2547 61.1484 34.5143 175.2437 107 D 5.0705 8.8421 129.0208 52.0057 40.8409 177.0175 108 K 4.0004 8.4722 117.4004 59.3120 32.3147 176.9820 109 H 4.7103 9.0274 116.0685 55.4098 29.1588 175.3908 110 G 3.9052 8.3430 108.0277 45.3375 0.0000 173.4208 111 Q 4.1814 8.0117 121.4097 55.5176 29.8773 173.9715 112 T 5.0557 8.3207 119.8177 60.9665 69.1597 173.6532 113 T 4.7056 8.9171 124.5701 61.7905 72.8999 172.5178 114 E 5.1140 9.0610 124.9574 54.6002 32.5435 175.1135 115 L 5.4177 9.1183 123.2054 53.1004 46.1945 175.5674 116 T 5.1687 8.7511 113.3261 60.9894 72.3872 173.2351 *117 E 5.0449 8.8285 119.3506 55.2657 34.9373 174.2646 118 L 5.1218 8.3133 123.8423 53.2065 45.1044 175.3102 119 F 5.4926 9.5028 124.7238 55.6181 43.2696 174.3734 120 V 5.1339 9.1532 121.0465 59.9160 34.5332 174.3896 121 K 3.8329 8.2393 124.4728 55.0261 33.3778 175.9476 122 L 4.3829 8.1334 127.0312 53.5698 42.3538 175.7849 123 N 4.6491 8.5299 122.1105 51.3285 40.0036 174.7832 124 V 4.1912 8.1666 122.9394 60.8384 33.1743 175.0454 125 E 4.3354 8.4424 127.8546 55.3589 31.8228 176.3478 126 D 4.4319 8.6956 125.2839 57.7570 41.0271 179.2210 127 E 4.0256 8.1989 117.2514 59.4961 29.5558 178.7350 128 D 4.4201 8.0601 119.5054 57.0352 40.9422 178.4617 129 L 4.1111 8.0216 119.6917 57.7177 41.5855 179.0983 130 E 4.1376 8.5766 119.4360 59.3214 29.5972 179.0368 131 K 3.9963 8.1760 118.5992 59.3483 32.1198 179.1152 132 F 4.0241 8.3244 120.8954 61.1762 39.2699 177.3341 133 W 4.0163 8.4094 118.7325 59.2664 28.6898 178.5867 134 K 4.4029 8.3275 121.2608 59.0078 31.8516 178.5819 135 L 3.8737 7.7889 120.6128 58.5202 42.0429 179.1098 136 T 3.6975 7.5986 115.8364 66.4432 68.2028 176.5199 137 E 4.0811 8.4523 119.6481 59.3124 29.5025 178.8583 138 D 4.4004 8.1279 119.6247 56.7723 40.9157 177.8068 139 K 4.3787 7.7413 115.9848 55.5072 32.2897 176.8975 140 G 3.8586 7.7756 107.1800 46.6175 0.0000 173.7957 141 I 4.2408 7.4546 120.4840 59.2765 38.3303 175.7471 142 D 4.5716 8.5150 125.1435 53.6924 41.7977 177.1302 143 K 4.3646 8.7502 125.1257 59.1784 32.1937 178.1579 144 K 4.2739 8.6282 116.8093 58.2977 32.8516 177.0506 145 N 4.9827 8.2845 117.6680 53.1948 39.0009 174.5886 146 V 4.5009 7.8692 117.1068 60.9790 34.1747 174.4491 147 V 4.1872 8.4703 126.1761 61.2260 33.4362 175.3220 148 N 4.7481 8.2901 125.0149 52.4929 39.0546 175.3790 149 F 4.0792 8.8291 127.9264 59.9009 39.2267 177.3161 150 L 3.9919 7.9752 119.8648 58.2944 41.7780 178.7509 151 E 4.1367 8.0965 116.7453 59.0092 29.8466 178.6522 152 N 4.4650 7.6410 116.1428 56.4319 38.4207 177.3075 153 E 4.0015 8.1157 118.6228 59.2801 29.6049 178.6967 154 N 4.5958 8.0043 114.9652 54.6337 40.0698 175.0892 155 H 4.8368 7.5832 116.1754 53.4991 29.3186 170.5940 156 P 4.4907 0.0000 0.0000 62.8595 33.3615 174.7146 157 H 4.5536 7.9635 114.8041 55.4528 30.8086 172.3380 *158 P 4.2054 0.0000 0.0000 62.4899 31.2936 172.5941 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 E 8.43 4.35 0.00 1.95 1.96 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 2.19 2.31 0.00 4 E 8.37 4.65 0.00 2.14 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.31 0.00 5 E 8.72 4.63 0.00 2.02 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.36 0.00 6 A 8.54 4.07 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 7 E 8.55 4.01 0.00 1.95 1.88 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 2.30 2.34 0.00 8 Q 8.64 4.14 0.00 2.09 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.54 0.00 0.00 0.00 0.00 0.00 2.37 2.39 0.00 9 N 8.38 5.09 0.00 2.69 2.64 0.00 0.00 6.74 6.74 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 10 L 8.53 3.87 0.00 1.74 1.96 0.69 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 11 S 8.03 4.38 0.00 3.95 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 12 E 7.98 4.18 0.00 1.97 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 2.33 2.41 0.00 13 L 7.57 4.33 0.00 1.57 1.55 0.95 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 14 S 7.42 4.80 0.00 4.13 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 15 G 8.37 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 0.00 0.00 0.00 16 P 0.00 5.11 0.00 2.14 2.44 0.00 3.64 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 1.99 0.00 17 W 9.05 5.49 0.00 3.34 3.40 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 18 R 9.58 5.05 0.00 1.73 1.88 0.00 3.42 0.00 0.00 3.51 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.79 0.00 19 T 8.81 4.13 4.06 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 0.00 0.00 0.89 0.00 0.00 20 V 8.33 3.94 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 0.23 0.00 0.00 0.84 0.00 0.00 21 Y 7.22 5.01 0.00 2.74 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 22 I 8.39 4.88 1.84 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 1.12 0.38 0.99 0.00 0.00 23 G 9.16 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 0.00 0.00 0.00 0.00 24 S 8.27 5.26 0.00 3.81 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 25 T 8.70 4.03 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 1.24 0.00 0.00 26 N 8.03 4.82 0.00 2.70 2.70 0.00 0.00 6.76 7.73 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 27 P 0.00 4.31 0.00 2.31 2.31 0.00 3.76 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 2.08 2.04 0.00 28 E 8.37 4.02 0.00 2.28 2.28 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 2.63 2.39 0.00 29 K 8.27 4.31 0.00 1.99 2.11 0.00 1.82 0.00 0.00 1.80 0.00 0.00 3.05 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.49 1.59 7.81 30 I 7.42 4.58 1.93 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 1.40 0.70 1.05 0.00 0.00 31 Q 7.61 4.31 0.00 2.29 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.95 6.94 0.00 0.00 0.00 0.00 0.00 2.40 2.57 0.00 32 E 8.52 4.02 0.00 1.94 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.32 0.00 33 N 8.41 4.63 0.00 2.92 2.95 0.00 0.00 7.26 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 34 G 8.37 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 35 P 0.00 4.33 0.00 1.85 2.08 0.00 3.84 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.02 0.00 36 F 8.34 4.59 0.00 3.26 3.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 R 7.54 4.37 0.00 2.00 1.98 0.00 3.47 0.00 0.00 3.37 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.65 0.00 38 T 7.59 4.80 4.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.00 0.00 39 Y 9.29 4.56 0.00 3.18 3.11 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 40 F 9.45 4.93 0.00 3.09 3.21 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 41 R 9.53 4.72 0.00 1.93 2.04 0.00 3.17 0.00 0.00 3.26 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.72 0.00 42 E 8.03 5.40 0.00 1.87 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.30 0.00 43 L 9.05 4.98 0.00 1.21 0.58 -0.20 -0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 44 V 8.16 4.56 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 1.03 0.00 0.00 0.99 0.00 0.00 45 F 9.34 4.99 0.00 3.00 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 46 D 8.95 4.71 0.00 2.72 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 47 D 9.05 4.48 0.00 2.75 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 48 E 8.40 4.14 0.00 2.14 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 2.33 2.36 0.00 49 K 8.48 4.08 0.00 1.78 1.89 0.00 1.82 0.00 0.00 1.72 0.00 0.00 2.99 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.48 1.40 7.81 50 G 8.38 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 51 T 7.62 5.32 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 1.24 0.00 0.00 52 V 8.38 4.46 1.44 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 -0.50 0.00 0.00 0.43 0.00 0.00 53 D 8.69 5.02 0.00 2.61 2.41 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 54 F 9.00 4.56 0.00 2.70 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 55 Y 8.56 4.89 0.00 3.03 2.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 F 8.43 5.49 0.00 3.35 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 57 S 9.62 5.62 0.00 3.94 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 V 9.10 5.17 2.48 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 0.91 0.00 0.00 1.14 0.00 0.00 59 K 8.35 4.24 0.00 0.79 1.11 0.00 1.18 0.00 0.00 1.44 0.00 0.00 2.36 0.00 0.00 2.44 0.00 0.00 0.00 0.00 0.98 0.28 7.81 60 R 8.71 4.56 0.00 1.71 1.68 0.00 3.44 0.00 0.00 3.15 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.70 0.00 61 D 9.63 4.37 0.00 2.82 2.69 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.15 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 63 K 7.58 4.65 0.00 1.80 1.69 0.00 1.68 0.00 0.00 1.65 0.00 0.00 2.99 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.35 1.51 7.81 64 W 8.90 4.78 0.00 3.22 3.16 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 65 K 9.45 4.82 0.00 1.70 1.70 0.00 1.70 0.00 0.00 1.71 0.00 0.00 2.83 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.56 1.55 7.81 66 N 8.79 5.31 0.00 2.62 2.75 0.00 0.00 6.68 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 67 V 8.67 4.28 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 0.00 0.00 0.58 0.00 0.00 0.89 0.00 0.00 68 H 8.47 4.86 0.00 2.84 2.99 0.00 5.92 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 V 8.16 4.19 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 0.76 0.00 0.00 0.79 0.00 0.00 70 K 8.57 4.84 0.00 1.67 1.61 0.00 1.79 0.00 0.00 1.71 0.00 0.00 2.80 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.32 1.49 7.81 71 A 8.97 5.05 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 72 T 8.65 5.07 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 1.21 0.00 0.00 73 K 8.99 3.79 0.00 1.26 1.47 0.00 1.64 0.00 0.00 1.60 0.00 0.00 2.96 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.13 0.49 7.81 74 Q 8.77 4.57 0.00 2.22 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.97 6.53 0.00 0.00 0.00 0.00 0.00 2.26 2.40 0.00 75 D 8.69 4.34 0.00 2.65 2.73 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 76 D 7.91 4.44 0.00 2.77 2.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 G 8.32 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 78 T 8.51 4.53 4.34 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 1.28 0.00 0.00 79 Y 9.29 5.24 0.00 3.10 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 80 V 8.77 5.11 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.74 0.00 0.00 1.03 0.00 0.00 81 A 8.80 4.83 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 82 D 8.46 4.96 0.00 2.69 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 83 Y 9.07 4.38 0.00 2.88 2.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 E 9.56 3.46 0.00 1.64 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 1.47 1.47 0.00 85 G 7.74 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 Q 8.54 4.98 0.00 2.05 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.88 6.70 0.00 0.00 0.00 0.00 0.00 2.32 2.33 0.00 87 N 8.96 5.62 0.00 2.82 2.75 0.00 0.00 6.36 7.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 V 8.74 4.79 2.11 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 1.07 0.00 0.00 0.97 0.00 0.00 89 F 9.75 5.30 0.00 3.05 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 90 K 8.74 4.90 0.00 1.75 1.56 0.00 1.71 0.00 0.00 1.68 0.00 0.00 2.87 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.38 1.56 7.81 91 I 8.51 4.19 2.03 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.01 0.99 0.00 0.00 92 V 8.69 3.99 2.20 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 0.71 0.00 0.00 0.91 0.00 0.00 93 S 7.84 4.78 0.00 3.98 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 L 8.43 5.12 0.00 1.65 1.48 0.99 0.75 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 95 S 8.83 4.61 0.00 4.07 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 96 R 8.73 3.72 0.00 1.80 2.02 0.00 3.17 0.00 0.00 3.27 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.61 0.00 97 T 8.00 4.56 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 1.16 0.00 0.00 98 H 8.16 5.88 0.00 3.22 3.51 0.00 5.44 0.00 0.00 0.00 0.00 6.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 116 T 8.75 5.17 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 1.17 0.00 0.00 *117 E 8.83 5.04 0.00 1.65 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.13 0.00 118 L 8.31 5.12 0.00 1.69 1.45 1.01 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 119 F 9.50 5.49 0.00 3.28 3.28 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 0.00 120 V 9.15 5.13 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 0.89 0.00 0.00 0.91 0.00 0.00 121 K 8.24 3.83 0.00 0.79 0.91 0.00 1.56 0.00 0.00 1.63 0.00 0.00 2.80 0.00 0.00 2.91 0.00 0.00 0.00 0.00 0.88 0.55 7.81 122 L 8.13 4.38 0.00 1.47 1.54 0.90 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 123 N 8.53 4.65 0.00 2.61 2.68 0.00 0.00 6.92 7.68 0.00 0.00 0.00 0.00 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0.00 1.48 1.65 7.81 132 F 8.32 4.02 0.00 3.01 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 0.00 133 W 8.41 4.02 0.00 3.47 3.16 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 0.00 134 K 8.33 4.40 0.00 1.90 1.96 0.00 1.58 0.00 0.00 1.78 0.00 0.00 2.98 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.45 1.34 7.81 135 L 7.79 3.87 0.00 1.74 1.69 0.88 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 136 T 7.60 3.70 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 1.12 0.00 0.00 137 E 8.45 4.08 0.00 2.20 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.35 0.00 138 D 8.13 4.40 0.00 2.81 2.76 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 0.00 0.00 0.00 139 K 7.74 4.38 0.00 1.72 1.81 0.00 1.81 0.00 0.00 1.69 0.00 0.00 3.00 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.64 1.55 7.81 140 G 7.78 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 0.00 141 I 7.45 4.24 2.01 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.62 0.95 0.00 0.00 142 D 8.52 4.57 0.00 2.70 2.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 143 K 8.75 4.36 0.00 1.80 1.93 0.00 1.64 0.00 0.00 1.33 0.00 0.00 2.88 0.00 0.00 2.66 0.00 0.00 0.00 0.00 1.52 1.46 7.81 144 K 8.63 4.27 0.00 1.88 1.96 0.00 1.60 0.00 0.00 1.72 0.00 0.00 2.99 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.75 1.44 7.81 145 N 8.28 4.98 0.00 2.93 2.90 0.00 0.00 6.65 7.23 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 0.00 146 V 7.87 4.50 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 0.94 0.00 0.00 1.16 0.00 0.00 147 V 8.47 4.19 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 0.18 0.00 0.00 0.88 0.00 0.00 148 N 8.29 4.75 0.00 2.87 2.70 0.00 0.00 7.22 7.71 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 0.00 149 F 8.83 4.08 0.00 3.07 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 0.00 150 L 7.98 3.99 0.00 1.76 1.68 0.93 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 151 E 8.10 4.14 0.00 1.98 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 2.46 2.35 0.00 152 N 7.64 4.46 0.00 2.98 2.78 0.00 0.00 6.87 7.54 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 0.00 153 E 8.12 4.00 0.00 2.10 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 2.34 2.53 0.00 154 N 8.00 4.60 0.00 2.79 2.83 0.00 0.00 6.79 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 0.00 155 H 7.58 4.84 0.00 3.10 3.17 0.00 5.85 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 156 P 0.00 4.49 0.00 2.03 1.97 0.00 3.78 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 1.88 0.00 157 H 7.96 4.55 0.00 3.20 3.34 0.00 5.75 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *158 P 0.00 4.21 0.00 1.86 1.90 0.00 3.65 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 2.08 0.00 * Residues marked with a * may have inaccurate shift predictions.