NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 Q 4.0902 8.1876 121.7184 53.7327 31.3693 175.3721 2 N 4.0210 7.6349 115.2321 53.0797 35.6396 171.9799 3 I 4.2710 7.9221 126.8733 61.9194 39.6120 175.6385 4 D 5.1209 9.5489 125.3744 52.5357 43.9840 174.5296 5 Q 4.9882 8.4930 122.1829 54.5468 32.2246 171.9565 *7 P 4.4987 0.0000 0.0000 62.7371 33.0424 177.7673 8 T 4.0665 8.5381 118.5447 66.4687 69.1248 173.7434 9 E 5.2711 7.9710 118.5851 55.2193 33.2429 173.7800 10 M 4.9780 9.2902 122.3325 54.1645 37.0973 174.0662 11 T 5.0504 8.4594 117.3550 61.8192 71.6692 173.2787 12 A 4.7033 8.6796 126.5059 50.7723 22.9432 175.5277 13 T 4.7791 8.4618 117.0908 62.2920 70.5239 174.4601 14 E 4.1018 8.7431 122.9314 58.0275 29.9620 177.6973 15 G 3.7834 9.4347 110.2154 45.2490 0.0000 172.8948 16 A 4.5804 7.3062 120.9027 50.4896 22.1377 175.9892 17 I 5.1611 8.2853 117.5730 58.8316 40.0753 175.7631 18 V 4.3076 8.1342 126.7966 59.7384 34.3204 174.3941 19 Q 4.7052 8.3327 123.3189 54.3872 31.3630 174.2675 20 I 4.3853 8.6893 127.9851 59.7792 39.0033 174.7827 21 N 5.3538 8.8870 124.9228 53.0240 40.1042 175.4679 22 C 5.3551 9.8906 122.9167 55.5086 42.9486 172.5288 23 T 5.3469 9.3808 117.2888 59.9498 71.2793 172.5724 24 Y 4.9884 7.9441 122.1749 54.6023 41.0589 175.7487 25 Q 4.6157 7.8569 124.1371 55.4932 28.3247 174.8665 26 T 4.6962 7.6492 112.7113 60.2733 70.4555 173.0895 27 S 4.6347 8.5261 122.1273 57.6278 65.3277 174.6581 28 G 4.1506 8.8232 105.5871 45.8046 0.0000 173.1524 29 F 4.5088 7.7714 122.0320 58.5168 39.8868 174.9189 30 N 4.6905 8.7450 128.2357 53.0049 39.2468 173.9794 31 G 4.1565 5.3800 104.4381 44.5410 0.0000 172.4338 32 L 5.0231 8.4484 122.9299 52.9967 45.4525 175.3215 33 F 5.5033 9.2048 124.4261 55.7080 42.3672 174.4589 34 W 5.5602 9.0349 120.7739 55.3658 32.0872 174.4015 35 Y 5.2620 9.4701 121.1952 56.3101 41.8559 174.0640 36 Q 4.7226 9.0953 123.4652 54.5355 31.6640 174.1286 37 Q 4.7252 8.7248 127.0600 54.5428 32.2638 174.2622 38 H 4.6926 8.8969 123.3599 54.8331 30.6324 174.5970 39 A 3.7408 8.6068 122.9599 54.5556 18.1313 177.0172 40 G 4.2870 8.9720 117.7547 46.0451 0.0000 174.5674 41 E 4.2062 7.2182 116.9103 54.9696 31.1010 175.6063 42 A 4.3488 8.2959 120.1079 51.3959 19.5460 176.2399 43 P 4.8298 0.0000 0.0000 62.7118 32.2506 175.9445 44 T 4.9121 9.3333 114.8360 59.3671 71.6236 173.3460 45 F 3.4688 9.1627 126.5239 59.3209 39.5411 173.2870 46 L 4.3908 7.7572 122.9500 55.8174 43.7271 176.8252 47 S 4.5802 6.9198 112.4336 57.0765 68.0506 171.9302 48 Y 5.0824 8.7797 122.2559 55.9462 41.9219 173.7634 49 N 5.1646 8.3208 123.5472 51.5178 41.9210 175.5435 50 V 4.5811 8.1371 118.0927 60.9461 34.6734 174.6992 51 L 4.7476 7.4485 119.6243 52.2709 44.0839 175.8051 52 D 4.3005 8.5962 121.4857 54.5131 41.4735 177.1590 53 G 4.0011 6.2528 108.6961 43.9735 0.0000 171.3737 54 L 4.9233 7.8394 121.9485 53.1178 43.9048 174.9375 55 E 4.5124 8.7625 124.7044 54.8340 31.2027 175.0839 56 E 4.5291 8.7278 125.8157 53.9887 30.8364 176.5320 57 K 4.6591 8.5585 126.1264 55.0669 33.5187 175.9900 58 G 3.9583 7.4686 118.7579 46.3527 0.0000 175.6687 *61 R 4.5587 8.4952 124.7529 55.3014 32.8514 173.5086 62 F 5.2544 8.3176 118.0133 55.9897 41.0766 175.1551 63 S 5.3059 9.0368 119.6490 56.8213 66.6013 173.2970 64 S 5.0703 8.6962 117.9174 56.7430 66.6073 172.9136 65 F 5.5454 8.7730 124.7909 55.1444 42.7345 173.2407 66 L 4.7742 7.1490 125.7072 53.1898 46.1548 174.9792 67 S 4.2982 9.0350 119.5965 56.4328 64.3193 174.5880 68 R 3.7990 9.2600 128.3779 59.2358 30.1066 179.9433 69 S 4.1012 8.0639 112.6517 60.6519 62.8957 174.9654 70 K 4.2840 7.8212 116.0753 54.9549 33.6860 175.7807 71 G 3.0622 7.5026 107.8472 45.6285 0.0000 172.6350 72 Y 5.2332 7.7958 118.5088 56.3312 43.4778 174.5447 73 S 4.9684 8.7554 119.6897 57.0053 66.5877 172.1832 74 Y 5.5542 8.7177 123.6120 55.2218 41.8249 173.5654 75 L 4.6505 8.3670 122.9492 53.0331 44.5283 174.6521 76 L 4.8163 8.7423 128.2778 53.2176 44.9802 174.8466 77 L 4.3682 8.2817 127.1041 52.8673 43.3490 176.3881 78 K 4.3173 8.9289 124.2740 55.0065 33.5701 177.0833 79 E 3.6768 8.4251 118.5116 57.4180 26.7948 175.0511 80 L 4.2072 8.1113 121.7740 55.0832 42.8854 176.1039 81 Q 4.8414 9.9160 125.3318 53.9976 32.0047 176.6137 82 M 4.1948 8.5114 117.9316 58.4376 32.0872 179.4072 83 K 4.1692 8.0576 116.6619 59.6068 32.9360 177.8678 84 D 4.6296 7.7272 117.9738 56.6862 40.8776 176.3919 85 S 4.4754 8.2315 113.8851 58.5894 62.8251 173.2958 86 A 4.2508 8.2380 127.3968 52.0820 22.4137 174.1539 87 S 5.1644 8.4153 113.4226 57.4786 64.9276 172.5857 88 Y 5.2872 9.1868 122.2662 56.2795 41.1689 174.4455 89 L 5.2052 9.5634 124.5154 53.2126 44.8261 174.4992 90 C 4.4119 8.7827 123.2903 54.9144 45.8053 171.9094 91 A 5.0155 8.4569 127.5930 49.9270 22.2889 174.7575 92 V 4.5681 8.4282 120.6139 61.1613 35.1213 174.2005 93 Q 4.8551 8.7705 126.9932 54.8432 30.1169 174.7776 94 A 5.1599 8.3185 124.2985 50.2341 22.2949 175.8507 95 S 2.9956 9.2089 115.8977 63.2268 62.9692 177.3662 96 G 3.0925 7.9495 99.8183 47.9407 0.0000 175.1889 97 G 3.5662 7.8814 111.2269 45.5210 0.0000 174.2528 98 S 4.0351 7.1043 110.8592 57.1870 65.3634 174.9604 *102 Y 4.8123 8.1666 117.3812 57.9175 38.5422 175.5814 103 I 4.3297 8.2547 120.9543 59.0435 38.7118 174.3116 104 P 4.0351 0.0000 0.0000 63.7064 31.9231 175.6254 105 T 4.5330 8.3360 121.7146 61.8910 70.3785 173.9400 106 F 4.9286 8.9772 125.4746 56.3356 40.8214 176.3069 107 G 3.9926 8.9076 110.4976 45.3155 0.0000 173.8590 108 R 4.1087 8.7320 118.2224 59.4776 30.1235 178.0548 109 G 4.2214 8.2935 102.4531 44.8891 0.0000 172.6020 110 T 5.0577 8.6994 116.4792 60.7675 71.5416 173.5898 111 S 4.8866 8.9514 123.7354 57.7897 64.0640 173.1102 112 L 4.9305 9.0708 128.6995 53.8348 43.5732 175.4161 113 I 4.4050 8.6103 128.9567 60.1568 38.3859 175.6260 114 V 4.4345 8.2780 129.2727 62.0567 31.7494 175.2413 115 H 4.8036 9.7236 128.2980 54.8264 29.7802 173.5746 116 P 4.6975 0.0000 0.0000 62.5393 32.5092 175.4390 117 Y 4.2843 8.4699 124.1604 57.2158 38.6079 175.2479 118 I 3.8552 7.8078 129.4226 59.5980 37.2402 175.6201 119 Q 3.5663 8.1724 127.0912 58.4718 29.0244 176.7063 120 N 4.8933 7.4950 116.5236 49.8622 38.7261 171.0324 121 P 4.2729 0.0000 0.0000 62.5117 32.1659 176.7596 122 D 4.8327 8.5965 122.3031 51.7732 40.3535 172.3293 123 P 4.5407 0.0000 0.0000 62.7327 32.5434 176.5657 124 A 4.5855 8.8066 126.4363 50.0933 22.8974 174.4888 125 V 4.6279 8.0670 121.2869 61.4316 33.3424 174.5133 126 Y 5.0242 8.8427 125.2560 56.2399 41.2862 174.3875 127 Q 4.8496 8.9951 125.3534 55.4907 30.1826 174.6786 128 L 4.9622 9.1702 126.1122 53.1867 45.0466 175.5844 129 R 4.7365 8.3489 119.3299 54.2546 33.1449 175.2464 130 D 4.0530 8.1740 120.7222 54.7550 41.1607 174.9617 131 S 4.3350 9.0184 121.5851 57.8655 63.6095 172.7319 132 K 4.4292 7.6739 122.7328 56.0472 34.4709 178.2824 133 S 4.2101 8.7994 119.2421 58.4644 59.8737 168.4639 134 S 4.9716 9.0838 119.0508 57.2287 67.9422 175.0215 135 D 5.0780 7.8793 124.6153 54.9450 40.5536 176.6723 136 K 4.9048 7.8915 118.6070 56.3164 40.3500 174.9991 137 S 4.9213 7.8154 114.5382 57.5925 66.9775 172.7075 138 V 4.9082 8.5228 118.8910 61.6919 35.1905 172.8778 139 C 5.3729 10.2633 126.3704 55.6267 43.4130 172.3200 140 L 5.3094 9.5314 126.7864 53.4508 43.9376 175.3436 141 F 5.2287 9.2087 131.0844 57.8679 39.7767 174.1852 142 T 4.6088 8.5719 120.8216 59.8638 71.2152 173.3887 143 D 4.2879 8.2735 119.1152 54.7953 39.0414 174.3194 144 F 4.8384 6.7214 114.2027 55.6511 39.4859 174.4521 145 D 4.6825 8.3569 120.2236 52.3046 40.3845 177.6549 146 S 4.1188 8.4421 115.5724 61.3683 62.8553 175.7881 147 Q 4.2429 8.0480 117.7211 57.1894 28.9157 176.3183 148 T 4.0134 7.6819 115.8119 63.1519 68.8389 173.8421 149 N 4.4606 8.6356 124.4532 52.6603 39.2859 174.6642 150 V 4.2232 8.1219 123.2754 60.8696 32.1225 175.5186 151 S 4.3494 8.4919 123.4485 58.4907 63.3518 174.4850 152 Q 4.2915 8.2671 121.4251 55.2615 29.2763 176.3966 153 S 4.2061 7.9487 114.7795 58.3111 63.7951 173.2132 154 K 4.4615 7.4839 121.9285 54.6673 35.2500 175.8003 155 D 4.1238 9.4886 114.3829 53.8938 38.3255 176.6753 156 S 3.9939 7.7135 117.0579 60.1483 62.9083 172.1566 157 D 4.5190 8.0227 117.6726 53.6783 42.0571 176.0728 158 V 3.9028 6.9173 119.2172 60.7707 34.6541 173.5476 159 Y 4.6444 7.8997 124.3873 55.9819 40.8728 174.6030 160 I 5.0646 8.1451 124.0470 59.7344 40.3791 175.5204 161 T 4.5509 8.8280 117.7369 60.1235 70.6442 174.1083 162 D 4.5747 8.6383 121.1120 53.7581 41.8548 175.4570 163 K 4.3415 8.5519 125.0572 57.0378 32.9742 175.5095 164 C 4.9014 8.8975 125.7952 57.7357 35.5732 172.3371 165 V 4.8570 8.4433 124.4573 60.9791 33.2032 174.5870 166 L 4.8260 8.4233 127.3036 53.8893 43.7275 175.0553 167 D 4.6826 8.5024 120.0600 52.8754 43.6654 175.5401 168 M 4.2870 9.2060 128.0785 54.4343 31.1536 177.5569 169 R 3.9192 8.8478 122.5514 59.3728 30.7472 179.3956 170 S 4.1201 8.1148 110.8047 61.5475 62.9211 175.0606 171 M 4.2194 8.0592 117.4275 54.8516 32.1797 175.1656 172 D 4.4026 7.8493 117.3704 55.1134 40.6670 172.3538 173 F 5.0622 8.0454 117.9409 55.9498 41.7814 174.1633 174 K 5.2695 7.9374 124.0637 53.7745 35.5973 175.2542 175 S 4.3083 7.8112 115.6314 57.2976 66.6308 172.7711 176 N 5.0618 8.0687 117.8599 52.6952 40.7376 174.3702 177 S 4.9822 8.2590 113.6770 57.3946 66.8829 173.4225 178 A 5.3070 9.6491 124.7369 50.2227 22.6523 174.9183 179 V 5.1801 8.9918 118.7397 61.2525 34.9884 174.4972 180 A 5.9201 9.9479 127.9322 49.3940 22.4923 175.0489 181 W 5.5480 8.4339 118.0902 55.3837 32.1475 173.7855 182 S 4.4463 8.1719 114.5160 57.0609 64.6365 174.5504 183 N 4.8554 7.8796 124.0559 50.9221 36.2506 174.0299 184 K 4.5365 7.5221 119.4042 54.9877 35.6555 175.8327 185 S 4.3305 8.7027 120.1444 61.1453 63.8857 174.4413 186 D 4.6399 7.8580 122.0130 52.7686 39.7544 177.7103 187 F 4.5620 7.7407 120.6932 57.4613 41.2727 172.5355 188 A 4.5251 7.7739 130.4970 49.9389 21.0997 175.5051 189 C 4.0610 7.6951 116.9673 58.9972 41.0582 173.9173 190 A 4.2139 7.7909 127.4304 50.6308 16.3479 177.1760 191 N 5.0248 7.4797 129.4459 53.0626 37.6449 176.3707 192 A 4.2887 8.0866 122.5770 52.5828 18.8681 177.6229 193 F 4.8037 7.6405 114.2431 58.1856 39.7890 175.0632 194 N 4.5225 7.9944 121.6550 53.6469 38.4290 175.8672 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 Q 8.19 4.09 0.00 2.17 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.92 6.21 0.00 0.00 0.00 0.00 0.00 2.34 2.46 0.00 2 N 7.63 4.02 0.00 3.07 3.22 0.00 0.00 6.04 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 3 I 7.92 4.27 1.91 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 1.27 0.90 1.04 0.00 0.00 4 D 9.55 5.12 0.00 2.76 2.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 Q 8.49 4.99 0.00 2.40 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.43 0.00 0.00 0.00 0.00 0.00 2.41 2.52 0.00 *7 P 0.00 4.50 0.00 2.29 2.10 0.00 4.08 0.00 0.00 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.16 0.00 8 T 8.54 4.07 4.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 9 E 7.97 5.27 0.00 1.96 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 2.29 2.43 0.00 10 M 9.29 4.98 0.00 1.89 1.86 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.52 0.00 11 T 8.46 5.05 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 1.05 0.00 0.00 12 A 8.68 4.70 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 T 8.46 4.78 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 14 E 8.74 4.10 0.00 2.21 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 2.38 2.31 0.00 15 G 9.43 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 0.00 0.00 0.00 16 A 7.31 4.58 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 17 I 8.29 5.16 1.78 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 1.07 0.83 0.00 0.00 18 V 8.13 4.31 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 0.46 0.00 0.00 0.80 0.00 0.00 19 Q 8.33 4.71 0.00 1.68 1.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.67 6.79 0.00 0.00 0.00 0.00 0.00 1.93 1.64 0.00 20 I 8.69 4.39 1.42 0.00 0.00 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.15 1.07 0.00 0.00 21 N 8.89 5.35 0.00 2.78 3.03 0.00 0.00 6.85 7.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 C 9.89 5.36 0.00 3.13 3.26 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 23 T 9.38 5.35 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 1.41 0.00 0.00 24 Y 7.94 4.99 0.00 3.12 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 25 Q 7.86 4.62 0.00 2.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.64 0.00 0.00 0.00 0.00 0.00 2.27 2.22 0.00 26 T 7.65 4.70 4.46 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 1.58 0.00 0.00 27 S 8.53 4.63 0.00 4.10 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 G 8.82 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 0.00 0.00 0.00 29 F 7.77 4.51 0.00 3.03 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 30 N 8.75 4.69 0.00 2.47 2.58 0.00 0.00 7.44 7.96 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 31 G 5.38 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 0.00 0.00 0.00 0.00 32 L 8.45 5.02 0.00 1.64 1.41 0.82 0.72 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 33 F 9.20 5.50 0.00 3.18 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 34 W 9.03 5.56 0.00 3.28 3.10 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 35 Y 9.47 5.26 0.00 3.09 2.98 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 36 Q 9.10 4.72 0.00 2.23 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.75 0.00 0.00 0.00 0.00 0.00 1.93 1.49 0.00 37 Q 8.72 4.73 0.00 2.08 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.71 0.00 0.00 0.00 0.00 0.00 2.21 2.42 0.00 38 H 8.90 4.69 0.00 3.24 3.20 0.00 5.71 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 39 A 8.61 3.74 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 40 G 8.97 4.29 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 0.00 41 E 7.22 4.21 0.00 2.21 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 2.34 2.29 0.00 42 A 8.30 4.35 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 P 0.00 4.83 0.00 1.87 1.99 0.00 3.56 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 1.77 1.95 0.00 44 T 9.33 4.91 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 1.29 0.00 0.00 45 F 9.16 3.47 0.00 2.79 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 46 L 7.76 4.39 0.00 1.65 1.64 1.33 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 47 S 6.92 4.58 0.00 3.80 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 Y 8.78 5.08 0.00 3.05 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 49 N 8.32 5.16 0.00 2.42 2.43 0.00 0.00 6.13 8.53 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 50 V 8.14 4.58 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0.00 1.18 0.85 0.16 -0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 78 K 8.93 4.32 0.00 1.67 1.70 0.00 1.84 0.00 0.00 1.67 0.00 0.00 2.89 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.36 1.37 7.81 79 E 8.43 3.68 0.00 2.04 1.94 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 2.23 2.26 0.00 80 L 8.11 4.21 0.00 1.96 1.51 0.84 0.64 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 81 Q 9.92 4.84 0.00 2.09 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.02 6.59 0.00 0.00 0.00 0.00 0.00 2.31 2.50 0.00 82 M 8.51 4.19 0.00 2.06 2.13 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.69 2.49 0.00 83 K 8.06 4.17 0.00 1.95 2.00 0.00 1.62 0.00 0.00 1.82 0.00 0.00 3.02 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.46 1.55 7.81 84 D 7.73 4.63 0.00 2.97 2.93 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 0.00 0.00 0.00 0.00 85 S 8.23 4.48 0.00 4.18 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 86 A 8.24 4.25 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 S 8.42 5.16 0.00 3.89 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 88 Y 9.19 5.29 0.00 3.05 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 89 L 9.56 5.21 0.00 1.91 1.86 0.88 0.70 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 90 C 8.78 4.41 0.00 2.54 2.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 A 8.46 5.02 0.47 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 92 V 8.43 4.57 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 0.90 0.00 0.00 0.79 0.00 0.00 93 Q 8.77 4.86 0.00 2.15 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.44 0.00 0.00 0.00 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.96 0.00 122 D 8.60 4.83 0.00 2.67 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 0.00 123 P 0.00 4.54 0.00 2.11 2.23 0.00 3.72 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 2.18 0.00 124 A 8.81 4.59 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 V 8.07 4.63 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 0.91 0.00 0.00 0.60 0.00 0.00 126 Y 8.84 5.02 0.00 3.01 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 0.00 127 Q 9.00 4.85 0.00 2.13 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.74 6.79 0.00 0.00 0.00 0.00 0.00 2.39 2.46 0.00 128 L 9.17 4.96 0.00 1.72 1.58 1.14 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 129 R 8.35 4.74 0.00 1.69 1.84 0.00 3.23 0.00 0.00 3.18 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.62 0.00 130 D 8.17 4.05 0.00 2.82 2.59 0.00 0.00 0.00 0.00 0.00 0.00 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 S 9.02 4.34 0.00 3.86 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 0.00 132 K 7.67 4.43 0.00 1.71 1.65 0.00 1.75 0.00 0.00 1.69 0.00 0.00 3.10 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.33 1.49 7.81 133 S 8.80 4.21 0.00 4.04 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 0.00 134 S 9.08 4.97 0.00 3.79 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 0.00 135 D 7.88 5.08 0.00 2.70 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 0.00 0.00 0.00 136 K 7.89 4.90 0.00 1.77 1.75 0.00 1.79 0.00 0.00 1.92 0.00 0.00 3.17 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.49 1.43 7.81 137 S 7.82 4.92 0.00 4.12 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 0.00 138 V 8.52 4.91 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 1.21 0.00 0.00 1.04 0.00 0.00 139 C 10.26 5.37 0.00 3.11 3.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 140 L 9.53 5.31 0.00 1.90 1.92 1.13 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 141 F 9.21 5.23 0.00 2.09 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 0.00 142 T 8.57 4.61 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 1.51 0.00 0.00 143 D 8.27 4.29 0.00 3.08 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 0.00 144 F 6.72 4.84 0.00 2.89 2.67 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 0.00 0.00 0.00 0.00 145 D 8.36 4.68 0.00 2.88 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 0.00 146 S 8.44 4.12 0.00 3.86 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 0.00 147 Q 8.05 4.24 0.00 2.19 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.83 0.00 0.00 0.00 0.00 0.00 2.42 2.51 0.00 148 T 7.68 4.01 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 0.93 0.00 0.00 149 N 8.64 4.46 0.00 2.71 2.76 0.00 0.00 6.92 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 0.00 150 V 8.12 4.22 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 1.09 0.00 0.00 0.80 0.00 0.00 151 S 8.49 4.35 0.00 3.92 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 0.00 152 Q 8.27 4.29 0.00 2.05 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 7.04 0.00 0.00 0.00 0.00 0.00 2.39 2.30 0.00 153 S 7.95 4.21 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 0.00 154 K 7.48 4.46 0.00 1.73 1.65 0.00 1.74 0.00 0.00 1.62 0.00 0.00 2.88 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.27 1.24 7.81 155 D 9.49 4.12 0.00 2.80 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 0.00 156 S 7.71 3.99 0.00 3.98 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 0.00 157 D 8.02 4.52 0.00 2.51 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 0.00 0.00 0.00 0.00 158 V 6.92 3.90 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 0.80 0.00 0.00 0.73 0.00 0.00 159 Y 7.90 4.64 0.00 1.43 1.77 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 0.00 160 I 8.15 5.06 1.82 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 1.13 0.40 1.11 0.00 0.00 161 T 8.83 4.55 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 1.54 0.00 0.00 162 D 8.64 4.57 0.00 2.74 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 0.00 163 K 8.55 4.34 0.00 2.02 1.83 0.00 1.89 0.00 0.00 1.85 0.00 0.00 2.90 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.49 1.59 7.81 164 C 8.90 4.90 0.00 3.06 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 0.00 165 V 8.44 4.86 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 0.85 0.00 0.00 0.97 0.00 0.00 166 L 8.42 4.83 0.00 1.77 1.69 0.87 0.70 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 0.00 167 D 8.50 4.68 0.00 2.60 2.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 168 M 9.21 4.29 0.00 2.07 2.17 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.86 2.61 0.00 169 R 8.85 3.92 0.00 1.88 2.02 0.00 3.14 0.00 0.00 3.40 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.66 0.00 170 S 8.11 4.12 0.00 3.98 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 0.00 171 M 8.06 4.22 0.00 2.09 2.20 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.50 0.00 172 D 7.85 4.40 0.00 2.77 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 0.00 173 F 8.05 5.06 0.00 3.15 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 0.00 174 K 7.94 5.27 0.00 1.35 1.43 0.00 1.80 0.00 0.00 2.35 0.00 0.00 2.97 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.34 1.11 7.81 175 S 7.81 4.31 0.00 3.67 3.47 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 0.00 176 N 8.07 5.06 0.00 1.68 1.89 0.00 0.00 6.36 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177 S 8.26 4.98 0.00 3.90 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 178 A 9.65 5.31 1.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 179 V 8.99 5.18 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 1.41 0.00 0.00 1.10 0.00 0.00 180 A 9.95 5.92 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 0.00 181 W 8.43 5.55 0.00 3.56 3.36 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 0.00 182 S 8.17 4.45 0.00 2.72 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 0.00 183 N 7.88 4.86 0.00 2.76 2.81 0.00 0.00 6.74 7.49 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 0.00 184 K 7.52 4.54 0.00 1.60 1.58 0.00 1.75 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.54 1.42 7.81 185 S 8.70 4.33 0.00 4.05 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 0.00 186 D 7.86 4.64 0.00 2.70 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 0.00 187 F 7.74 4.56 0.00 2.86 3.15 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 0.00 188 A 7.77 4.53 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 0.00 189 C 7.70 4.06 0.00 2.95 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 0.00 190 A 7.79 4.21 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 191 N 7.48 5.02 0.00 2.86 3.02 0.00 0.00 6.00 8.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 192 A 8.09 4.29 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 193 F 7.64 4.80 0.00 2.71 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 0.00 194 N 7.99 4.52 0.00 2.68 2.70 0.00 0.00 7.05 7.56 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 * Residues marked with a * may have inaccurate shift predictions.