NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -1 N 4.9256 8.6604 118.6018 53.7025 40.9050 174.7417 0 A 4.0887 7.8981 121.1954 51.8165 18.3816 173.2965 2 S 3.7508 8.4924 121.6010 58.5871 63.9230 170.4888 3 V 4.0801 8.2736 122.5923 63.2370 32.2399 175.1490 4 V 4.4353 8.9951 127.7536 61.1266 34.0281 174.0897 5 I 5.1052 8.5221 128.5691 59.5717 39.1819 174.6434 6 E 4.9150 8.9949 125.0445 53.9011 33.1905 175.2464 7 R 3.7624 8.7500 122.4544 56.5391 30.5557 175.5042 8 I 4.6611 7.9925 119.8413 58.0541 40.4515 173.7929 9 P 4.3898 0.0000 0.0000 62.3552 32.2164 177.3641 10 K 3.9121 8.8139 120.4993 60.0029 32.1428 178.8878 11 E 4.0000 8.2182 116.0519 58.7805 29.4825 177.3384 12 A 4.6352 8.1425 120.8239 51.5136 19.1809 176.9614 13 I 3.8101 7.0732 111.5883 61.9343 38.1608 176.1192 14 P 4.5826 0.0000 0.0000 61.6687 28.9028 176.7043 15 K 3.8769 8.2595 126.4767 60.8056 32.2812 178.4385 16 S 4.1836 8.0299 114.5365 61.4092 61.8237 176.3643 17 L 4.0149 7.8814 122.7213 58.1090 41.9169 178.8799 18 L 4.5541 8.1449 119.0698 57.7134 41.3356 179.4144 19 L 4.4944 7.8543 119.5945 56.9770 41.5359 178.9510 20 L 4.1124 7.5376 118.4488 57.9645 41.6778 179.0503 21 A 4.5427 7.3858 119.4447 53.4300 18.9365 176.8683 22 D 4.5127 8.2375 117.4771 52.4030 42.4945 173.8705 23 P 4.3559 0.0000 0.0000 63.8825 31.7207 176.4542 24 S 4.7311 8.3823 114.5657 56.4885 63.1183 174.1935 25 E 3.9623 8.9338 128.4759 59.5486 29.1422 179.2223 26 R 3.8270 7.9151 118.0838 59.6548 29.9235 178.4424 27 Q 3.9360 8.1364 117.7476 58.7560 28.6014 178.8212 28 I 2.6367 7.7090 120.6658 63.9964 37.1600 178.1122 29 A 3.8888 7.8758 121.5432 55.4651 17.9810 179.8490 30 T 3.7466 7.4445 114.1898 67.0225 68.5667 176.5216 31 Y 4.3361 7.1067 118.0580 59.9184 37.9897 178.1968 32 V 3.7865 7.7354 113.8714 64.1794 31.6651 177.8888 33 Q 4.0826 7.9706 118.8381 58.9821 28.9925 177.8889 34 R 4.3746 7.8819 117.3527 57.9643 30.8614 176.0187 35 G 4.3366 8.2144 105.9508 44.4268 0.0000 172.2398 36 L 4.8455 8.8379 119.9180 53.2798 44.6500 176.0173 37 T 5.0144 8.3231 120.6316 61.9895 71.1217 173.0923 38 Y 4.8036 8.7983 123.7792 56.1141 41.2865 174.9783 39 V 4.8267 8.5526 116.9335 59.4860 34.9461 174.6078 40 A 5.0559 8.5883 126.2613 51.0652 20.3737 176.5487 41 K 5.1473 9.4332 121.4570 54.6287 36.7708 175.2097 42 Q 4.4875 8.7545 123.2822 54.9149 32.4141 175.1997 43 G 3.9957 10.0492 114.9866 46.5659 0.0000 174.2542 44 G 3.9117 8.5878 106.8554 44.7858 0.0000 173.8762 45 S 4.6643 7.6485 114.9588 55.8667 63.8797 173.4000 46 V 4.1066 8.4132 127.9599 63.2502 31.7719 175.1904 47 I 4.5739 8.6332 119.1366 60.2734 39.7395 174.8295 48 G 4.4903 7.9049 108.6135 46.3229 0.0000 172.5005 49 V 5.3010 8.4021 118.4798 60.9083 34.6449 172.4067 50 Y 5.5027 8.9248 119.8822 55.7921 41.8576 173.5678 51 V 4.8788 8.9080 121.1201 61.2948 34.4439 174.0901 52 L 5.0592 9.2950 127.9724 53.0565 44.2375 175.1506 53 L 4.9768 8.6645 124.9788 52.9965 44.6534 175.4548 54 E 4.2736 8.9697 128.1548 57.7492 30.1726 173.8530 55 T 4.1995 8.9687 115.5394 61.7391 69.2597 176.7701 56 R 4.1593 8.9943 118.6253 54.5758 31.5715 173.9526 57 P 4.3946 0.0000 0.0000 64.5007 31.8210 176.4175 58 K 3.8697 8.8345 119.7029 57.5268 29.9531 174.5772 59 T 5.4369 7.3920 115.0054 60.5687 71.7311 172.2291 *61 E 4.4808 8.2676 121.2183 56.5867 30.8488 175.6285 62 I 4.7662 8.4637 126.9093 60.1830 38.7473 174.7687 *64 N 4.5452 8.4288 121.0247 53.8050 40.3414 172.9308 65 I 5.2526 8.2707 124.3730 59.9075 41.3299 173.5143 66 A 4.8017 9.2416 129.9957 50.6505 22.8999 174.8798 67 V 4.8715 8.2949 120.1246 60.4334 34.6027 175.1359 68 A 4.0247 8.7078 128.4114 52.6078 18.7320 178.4094 69 E 3.8764 9.1965 121.7959 59.8947 29.6323 178.1677 70 H 4.5503 8.2627 110.4394 56.4397 28.7785 175.3644 71 L 4.5762 7.8111 120.1470 54.6543 42.0052 176.2702 72 Q 4.2802 7.8634 117.7959 56.8856 29.2554 176.6245 73 G 3.9198 8.8358 108.3616 45.8329 0.0000 174.0457 74 K 4.3001 7.5588 117.1613 55.8500 32.0259 177.1158 75 G 3.9402 8.1853 107.1319 46.5071 0.0000 175.7834 76 I 3.9918 7.7555 122.7466 63.5479 37.2017 178.0242 77 G 3.8028 8.1370 106.2646 47.9636 0.0000 175.2034 78 K 3.9563 8.1139 121.7778 59.1645 32.2630 178.7730 79 K 4.0046 7.7301 117.7169 59.3824 31.9231 179.3563 80 L 4.1169 8.3715 119.6461 57.7692 41.5936 179.4926 81 L 3.8381 8.1882 119.1891 57.7853 41.6015 179.4030 82 R 3.8570 8.1223 118.6491 59.9244 29.9343 178.0385 83 H 4.0953 8.1464 117.1282 59.0720 29.8880 176.9769 84 A 3.7119 7.7584 124.1047 54.2484 17.9493 179.7979 85 V 3.4421 7.7422 116.6036 66.3284 31.6105 178.2336 86 E 3.9005 8.0458 118.2801 59.5650 29.3039 179.5397 87 T 3.7802 8.2305 116.1170 66.4541 68.2638 176.6562 88 A 4.1179 7.8534 121.5711 55.1012 18.8369 179.3048 89 K 4.0833 8.3025 117.4103 59.8196 31.9403 179.7324 90 G 3.5640 8.0304 104.5898 47.7914 0.0000 174.5470 91 Y 4.5485 7.6194 116.0841 57.6282 38.9519 175.3816 92 G 3.6817 7.6126 109.3713 45.9098 0.0000 173.4109 *94 S 4.4851 8.0376 118.7743 57.6401 65.8692 173.4924 95 K 4.8314 8.1827 121.8423 54.6280 36.1922 174.3312 96 L 4.9110 8.5243 127.6857 53.3325 45.1257 174.7425 97 E 5.5524 8.8307 124.5869 54.8374 33.6436 175.1322 98 V 4.4359 8.4335 120.5534 60.3301 34.9145 173.5474 99 G 4.3512 8.4353 110.4753 44.9374 0.0000 172.1292 100 T 4.9218 8.7631 116.3917 59.8950 71.3158 173.6641 101 G 3.7938 8.6610 112.4136 45.8662 0.0000 174.4575 102 N 4.4937 8.5029 118.5945 55.3848 37.4136 176.7616 103 S 4.2323 7.7616 112.0354 60.3050 64.3025 175.6451 104 S 4.4516 7.4594 119.7872 57.7959 58.9539 174.7613 105 V 3.5831 7.4014 124.7956 65.8051 31.9421 177.1824 106 S 4.1061 7.8744 113.6148 61.2682 62.9963 176.3798 107 Q 3.3963 7.7434 121.3339 58.3871 28.2845 178.2295 108 L 3.8638 7.7370 119.7726 57.6533 41.6657 179.2554 109 A 3.9551 7.8878 120.4894 55.1365 18.2619 179.3290 110 L 3.8656 7.8470 118.5520 58.6740 42.1398 178.6813 111 Y 4.5143 8.0981 116.9106 61.5587 37.6853 178.9501 112 Q 4.9591 8.0336 120.2129 58.3646 28.5945 178.7528 113 K 4.0640 8.1195 119.0054 59.4947 32.2074 178.3688 114 C 4.4903 8.1500 114.2435 60.0129 28.3431 174.3805 115 G 3.9890 7.7326 108.5977 44.8248 0.0000 174.2033 116 F 4.5258 8.7129 119.8024 57.2051 40.4805 174.3642 117 R 4.9788 8.9231 123.3625 54.2170 32.5736 175.0374 118 I 4.4173 8.6512 127.6167 61.9048 37.1323 175.6819 119 F 5.0296 8.8893 120.3348 56.4163 39.5070 174.2952 120 S 4.4661 6.9766 112.3311 57.6422 65.7278 173.3956 121 I 4.4455 7.8857 122.9547 59.3706 40.5978 175.0059 122 D 4.6161 8.2265 126.5861 52.6413 41.7836 175.9946 123 F 4.4433 8.6078 123.1579 58.5881 39.8318 175.5081 124 D 4.7154 10.1266 123.3041 55.6167 39.3084 174.9743 125 Y 4.0136 7.7726 121.3023 61.2761 38.6583 178.7387 126 F 4.4672 8.3433 118.0866 60.6264 38.8345 177.9372 127 S 4.2904 8.2985 113.6747 61.5558 62.7325 176.5180 128 K 4.0779 7.9350 120.2177 59.7923 31.9818 178.9118 129 H 3.9370 7.7438 114.5977 56.3376 28.8805 175.2763 130 Y 4.8306 7.1297 117.3817 55.7366 41.2040 174.9508 131 E 4.0350 9.2236 125.8080 59.1168 29.9965 176.6269 132 E 4.2341 8.0848 118.8539 55.0696 30.2674 175.3939 133 E 4.1753 8.8292 127.6449 56.7071 30.6382 175.6379 134 I 4.5544 8.4066 126.3838 59.5452 40.1669 174.3586 135 I 4.9413 8.3045 126.4621 59.4715 40.3558 174.7359 136 E 4.4525 9.0218 126.4021 55.4783 31.9570 175.9840 137 N 4.0865 9.7996 122.7424 54.4680 36.1609 175.2183 138 G 3.9134 8.3947 102.0060 45.7302 0.0000 173.3889 139 I 4.4362 7.3762 120.6921 58.6376 39.6486 175.3100 140 V 3.8548 8.3427 125.3958 62.9701 31.7392 174.9509 141 C 4.1859 8.8297 128.9521 58.8182 30.9379 171.9372 142 R 4.7081 9.0155 126.0547 57.4195 32.9805 173.3334 143 D 5.3247 8.9114 119.7957 54.2675 44.9491 176.2808 *145 I 4.0270 8.2690 125.1847 62.2556 39.0337 174.4112 146 R 4.6128 8.4626 126.1066 54.3597 32.1490 175.4077 147 L 5.5276 8.8714 123.1539 53.5465 46.0408 175.8925 148 A 5.6352 8.8214 120.6449 51.4956 22.6104 174.4141 *150 E 4.3515 8.6539 113.4051 56.5287 30.8538 176.4668 151 L 4.2538 8.6673 123.1303 54.8405 41.5059 176.5213 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 -1 N 8.66 4.93 0.00 2.71 2.92 0.00 0.00 6.99 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 0 A 7.90 4.09 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 2 S 8.49 3.75 0.00 4.17 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 V 8.27 4.08 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 0.95 0.00 0.00 4 V 9.00 4.44 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 0.95 0.00 0.00 0.98 0.00 0.00 5 I 8.52 5.11 1.60 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.80 0.89 0.00 0.00 6 E 8.99 4.91 0.00 2.02 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 2.18 2.21 0.00 7 R 8.75 3.76 0.00 1.11 1.69 0.00 2.76 0.00 0.00 2.81 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.42 0.00 8 I 7.99 4.66 1.81 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 1.21 0.76 0.86 0.00 0.00 9 P 0.00 4.39 0.00 2.37 2.18 0.00 3.69 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 1.96 0.00 10 K 8.81 3.91 0.00 1.82 1.92 0.00 1.66 0.00 0.00 1.99 0.00 0.00 3.16 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.68 1.49 7.81 11 E 8.22 4.00 0.00 1.92 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 2.30 2.36 0.00 12 A 8.14 4.64 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 13 I 7.07 3.81 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 1.47 0.64 0.99 0.00 0.00 14 P 0.00 4.58 0.00 2.31 2.27 0.00 3.73 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 2.10 2.06 0.00 15 K 8.26 3.88 0.00 1.83 1.93 0.00 1.67 0.00 0.00 1.82 0.00 0.00 2.92 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.54 1.69 7.81 16 S 8.03 4.18 0.00 3.88 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 17 L 7.88 4.01 0.00 1.82 1.76 0.95 0.67 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 18 L 8.14 4.55 0.00 1.96 1.80 0.98 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 19 L 7.85 4.49 0.00 1.83 1.76 0.94 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 20 L 7.54 4.11 0.00 1.83 1.77 1.02 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 21 A 7.39 4.54 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 22 D 8.24 4.51 0.00 2.90 2.74 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 23 P 0.00 4.36 0.00 2.07 2.07 0.00 3.28 0.00 0.00 3.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.94 0.00 24 S 8.38 4.73 0.00 4.08 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 25 E 8.93 3.96 0.00 2.05 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.39 0.00 26 R 7.92 3.83 0.00 1.84 1.88 0.00 3.14 0.00 0.00 3.29 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.69 0.00 27 Q 8.14 3.94 0.00 2.30 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.58 0.00 0.00 0.00 0.00 0.00 2.36 2.33 0.00 28 I 7.71 2.64 1.90 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.80 0.84 0.00 0.00 29 A 7.88 3.89 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 30 T 7.44 3.75 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 1.22 0.00 0.00 31 Y 7.11 4.34 0.00 3.23 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 32 V 7.74 3.79 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 0.84 0.00 0.00 0.91 0.00 0.00 33 Q 7.97 4.08 0.00 2.20 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.92 0.00 0.00 0.00 0.00 0.00 2.36 2.44 0.00 34 R 7.88 4.37 0.00 1.84 1.99 0.00 3.21 0.00 0.00 3.26 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.65 0.00 35 G 8.21 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 0.00 0.00 0.00 0.00 36 L 8.84 4.85 0.00 1.77 1.64 0.68 0.63 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 37 T 8.32 5.01 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 1.18 0.00 0.00 38 Y 8.80 4.80 0.00 1.51 2.42 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 0.00 0.00 0.00 0.00 39 V 8.55 4.83 2.23 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 0.77 0.00 0.00 0.93 0.00 0.00 40 A 8.59 5.06 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 41 K 9.43 5.15 0.00 1.64 1.68 0.00 1.62 0.00 0.00 1.66 0.00 0.00 2.77 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.35 1.35 7.81 42 Q 8.75 4.49 0.00 2.04 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.26 0.00 0.00 0.00 0.00 0.00 2.25 2.45 0.00 43 G 10.05 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 0.00 0.00 0.00 44 G 8.59 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 45 S 7.65 4.66 0.00 3.91 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 46 V 8.41 4.11 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 0.89 0.00 0.00 0.94 0.00 0.00 47 I 8.63 4.57 1.88 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 1.26 1.15 0.97 0.00 0.00 48 G 7.90 4.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.40 5.30 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 0.76 0.00 0.00 0.97 0.00 0.00 50 Y 8.92 5.50 0.00 3.14 3.07 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 51 V 8.91 4.88 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 1.14 0.00 0.00 1.11 0.00 0.00 52 L 9.29 5.06 0.00 1.78 1.63 1.10 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 53 L 8.66 4.98 0.00 1.58 1.49 0.97 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 54 E 8.97 4.27 0.00 1.96 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.39 0.00 55 T 8.97 4.20 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 1.26 0.00 0.00 56 R 8.99 4.16 0.00 1.90 1.90 0.00 3.16 0.00 0.00 3.35 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.67 0.00 57 P 0.00 4.39 0.00 2.03 2.00 0.00 3.82 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.12 0.00 58 K 8.83 3.87 0.00 1.91 1.93 0.00 1.81 0.00 0.00 1.83 0.00 0.00 2.92 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.44 1.38 7.81 59 T 7.39 5.44 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 1.21 0.00 0.00 *61 E 8.27 4.48 0.00 2.06 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 2.17 2.34 0.00 62 I 8.46 4.77 1.60 0.00 0.00 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 1.40 0.85 0.00 0.00 *64 N 8.43 4.55 0.00 2.80 2.81 0.00 0.00 6.27 7.94 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 65 I 8.27 5.25 1.91 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 1.37 1.12 0.99 0.00 0.00 66 A 9.24 4.80 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 67 V 8.29 4.87 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 0.86 0.00 0.00 0.96 0.00 0.00 68 A 8.71 4.02 1.28 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 0.00 0.00 69 E 9.20 3.88 0.00 2.00 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 2.33 2.34 0.00 70 H 8.26 4.55 0.00 3.28 3.40 0.00 5.48 0.00 0.00 0.00 0.00 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 L 7.81 4.58 0.00 1.72 1.60 0.85 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.59 0.00 0.00 0.00 0.00 0.00 0.00 72 Q 7.86 4.28 0.00 2.03 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.80 0.00 0.00 0.00 0.00 0.00 2.35 2.34 0.00 73 G 8.84 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 74 K 7.56 4.30 0.00 1.69 1.82 0.00 1.76 0.00 0.00 1.71 0.00 0.00 2.81 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.38 1.54 7.81 75 G 8.19 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 76 I 7.76 3.99 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 1.59 0.66 0.95 0.00 0.00 77 G 8.14 3.80 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 0.00 0.00 0.00 78 K 8.11 3.96 0.00 1.86 2.01 0.00 1.75 0.00 0.00 1.83 0.00 0.00 2.98 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.54 1.58 7.81 79 K 7.73 4.00 0.00 2.08 1.88 0.00 1.74 0.00 0.00 1.67 0.00 0.00 2.97 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.49 1.50 7.81 80 L 8.37 4.12 0.00 1.88 1.83 1.10 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 81 L 8.19 3.84 0.00 1.88 1.83 1.19 0.68 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 82 R 8.12 3.86 0.00 1.96 2.10 0.00 3.09 0.00 0.00 3.10 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.64 0.00 83 H 8.15 4.10 0.00 3.40 3.50 0.00 5.65 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 84 A 7.76 3.71 0.68 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 0.00 0.00 85 V 7.74 3.44 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 0.85 0.00 0.00 86 E 8.05 3.90 0.00 1.92 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 2.45 2.45 0.00 87 T 8.23 3.78 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 1.34 0.00 0.00 88 A 7.85 4.12 1.38 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 0.00 0.00 89 K 8.30 4.08 0.00 2.00 1.85 0.00 1.62 0.00 0.00 1.61 0.00 0.00 2.88 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.43 1.42 7.81 90 G 8.03 3.56 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 0.00 0.00 0.00 91 Y 7.62 4.55 0.00 3.17 3.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 G 7.61 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 0.00 0.00 0.00 *94 S 8.04 4.49 0.00 3.91 4.15 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 95 K 8.18 4.83 0.00 1.77 1.58 0.00 1.49 0.00 0.00 1.60 0.00 0.00 2.62 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.29 1.29 7.81 96 L 8.52 4.91 0.00 1.76 1.45 0.94 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 97 E 8.83 5.55 0.00 1.96 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.31 0.00 98 V 8.43 4.44 1.33 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 -0.60 0.00 0.00 0.31 0.00 0.00 99 G 8.44 4.35 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 0.00 100 T 8.76 4.92 4.50 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 1.23 0.00 0.00 101 G 8.66 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 0.00 102 N 8.50 4.49 0.00 2.88 2.97 0.00 0.00 6.97 6.93 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 0.00 103 S 7.76 4.23 0.00 4.05 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 0.00 104 S 7.46 4.45 0.00 3.92 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 0.00 105 V 7.40 3.58 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 1.04 0.00 0.00 0.89 0.00 0.00 106 S 7.87 4.11 0.00 4.02 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 0.00 107 Q 7.74 3.40 0.00 1.90 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.92 0.00 0.00 0.00 0.00 0.00 2.19 2.26 0.00 108 L 7.74 3.86 0.00 1.82 1.68 0.88 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 109 A 7.89 3.96 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 0.00 110 L 7.85 3.87 0.00 1.72 1.60 0.95 0.98 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 0.00 111 Y 8.10 4.51 0.00 2.92 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 0.00 112 Q 8.03 4.96 0.00 2.10 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.80 0.00 0.00 0.00 0.00 0.00 2.62 2.54 0.00 113 K 8.12 4.06 0.00 2.03 1.91 0.00 1.71 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.49 1.60 7.81 114 C 8.15 4.49 0.00 3.35 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 0.00 115 G 7.73 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 0.00 0.00 0.00 116 F 8.71 4.53 0.00 3.16 3.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 R 8.92 4.98 0.00 1.89 1.82 0.00 3.13 0.00 0.00 3.21 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.63 0.00 118 I 8.65 4.42 1.90 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.71 0.87 0.00 0.00 119 F 8.89 5.03 0.00 2.91 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 0.00 120 S 6.98 4.47 0.00 3.44 3.07 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 0.00 121 I 7.89 4.45 0.93 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 1.11 0.56 0.11 0.00 0.00 122 D 8.23 4.62 0.00 2.43 2.66 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 0.00 123 F 8.61 4.44 0.00 3.09 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 0.00 124 D 10.13 4.72 0.00 2.93 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 0.00 125 Y 7.77 4.01 0.00 3.15 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 0.00 126 F 8.34 4.47 0.00 3.56 3.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 127 S 8.30 4.29 0.00 4.00 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 0.00 128 K 7.94 4.08 0.00 1.76 1.71 0.00 1.66 0.00 0.00 1.67 0.00 0.00 3.07 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.44 1.61 7.81 129 H 7.74 3.94 0.00 2.35 2.07 0.00 5.79 0.00 0.00 0.00 0.00 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 Y 7.13 4.83 0.00 3.18 2.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 131 E 9.22 4.04 0.00 1.95 2.04 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 2.32 2.39 0.00 132 E 8.08 4.23 0.00 2.00 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 2.30 2.37 0.00 133 E 8.83 4.18 0.00 2.05 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.39 0.00 134 I 8.41 4.55 1.73 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.67 0.76 0.00 0.00 135 I 8.30 4.94 1.84 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 1.33 0.59 0.94 0.00 0.00 136 E 9.02 4.45 0.00 1.85 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 2.12 2.10 0.00 137 N 9.80 4.09 0.00 2.77 2.83 0.00 0.00 7.19 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 0.00 138 G 8.39 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 0.00 139 I 7.38 4.44 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 1.16 0.93 0.89 0.00 0.00 140 V 8.34 3.85 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 0.78 0.00 0.00 0.93 0.00 0.00 141 C 8.83 4.19 0.00 2.68 2.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 142 R 9.02 4.71 0.00 2.05 2.02 0.00 3.23 0.00 0.00 3.41 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.70 0.00 143 D 8.91 5.32 0.00 2.57 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 0.00 0.00 0.00 0.00 *145 I 8.27 4.03 1.83 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 1.43 0.96 0.84 0.00 0.00 146 R 8.46 4.61 0.00 0.67 1.21 0.00 2.95 0.00 0.00 2.88 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 1.32 0.00 147 L 8.87 5.53 0.00 1.58 1.71 1.07 0.82 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 0.00 148 A 8.82 5.64 1.19 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 0.00 0.00 *150 E 8.65 4.35 0.00 1.82 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 2.14 2.27 0.00 151 L 8.67 4.25 0.00 1.43 1.51 0.90 0.74 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 * Residues marked with a * may have inaccurate shift predictions.