NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 31 L 4.1715 8.1849 120.6033 53.2505 43.9489 176.3981 32 H 3.9755 7.9218 114.3791 56.7051 25.8894 172.2086 33 L 5.0505 8.4164 120.1214 53.0878 45.2896 175.9883 34 A 4.9255 8.9279 124.0490 50.9360 23.6190 174.1631 35 F 5.1463 8.2777 112.0140 56.1774 41.7702 173.5464 36 S 5.2550 9.4417 113.9718 56.9221 66.5286 172.1479 37 C 5.6549 9.5902 125.6140 57.5974 35.1652 172.3864 38 W 4.8442 9.6785 126.3163 54.9213 31.2315 174.3239 39 L 5.3388 8.9576 128.0736 53.6379 43.5167 175.1931 40 F 5.8619 9.7756 124.7901 55.9922 43.0686 174.7338 41 N 4.8912 9.0104 119.6445 51.2835 39.4903 175.3670 42 E 3.9600 8.5877 118.4186 58.9203 29.7496 176.9431 43 D 4.4752 7.9255 116.3029 54.5099 41.1351 177.0046 44 G 4.0487 8.2496 107.7347 45.5866 0.0000 173.7826 45 Q 4.6325 7.8171 118.3574 55.2949 30.6827 174.5262 46 L 4.5023 9.0725 124.6425 53.8962 44.0804 175.3794 47 L 4.1664 8.5379 129.1533 54.1271 42.2776 175.7028 48 V 4.3719 8.6477 128.2961 61.6620 33.3206 174.8525 49 T 5.0825 8.6418 117.5428 59.8953 72.2305 172.9178 50 R 4.3602 8.1398 123.3565 54.0059 32.1759 175.3604 51 R 4.1969 8.6073 126.6788 56.2535 31.2894 176.8637 52 S 4.5088 8.6547 117.6898 58.3648 63.8754 175.3781 53 L 4.0502 8.5201 120.0139 56.9644 41.5606 178.2601 54 S 4.5114 7.4174 110.3841 58.0549 63.5527 174.7136 55 K 4.1633 7.4987 121.9801 56.4425 32.3296 177.3863 56 K 4.0336 8.8648 122.6448 58.4767 32.3180 177.2217 57 A 4.5781 7.8371 120.4919 51.2231 21.1503 176.1452 58 W 3.7151 8.3642 122.6905 56.8451 25.5598 173.3284 59 P 4.4010 0.0000 0.0000 64.1904 31.5863 177.2535 60 G 3.5045 8.5430 108.4673 45.8933 0.0000 173.1007 61 V 4.3418 6.9201 118.2236 60.6612 33.8415 175.0992 62 W 4.7292 8.5549 127.0187 57.1179 30.6328 175.1647 63 T 4.7444 9.0919 118.2016 60.8032 71.1265 171.9533 64 N 4.0798 8.0183 121.5491 52.2279 37.7918 175.4464 65 S 4.1872 8.1602 114.8844 61.4644 63.1596 175.4267 66 V 4.6817 7.8234 117.8587 61.6560 35.1138 173.0591 67 C 4.8693 8.4650 119.8804 56.1552 33.1817 173.7382 68 G 3.4637 5.9743 105.1660 46.2111 0.0000 171.6523 69 H 5.1071 8.4565 115.5896 53.1917 32.6999 171.6293 70 P 4.6877 0.0000 0.0000 62.7486 32.3955 175.9091 71 Q 4.6367 8.9763 118.9360 54.0097 31.0747 174.0401 72 Q 4.0785 8.8084 115.7086 58.2519 28.4080 176.8368 73 G 3.9964 8.6331 112.5801 46.5522 0.0000 172.1429 74 E 4.7358 7.7201 117.9055 53.8226 32.1241 176.0992 75 T 4.2163 8.8172 116.6193 61.4340 71.0652 176.0259 76 T 3.7325 8.2787 118.2559 66.7659 68.4525 176.4646 77 E 3.5255 7.9084 119.8013 59.5024 29.4474 179.1559 78 E 3.8339 8.0934 118.0138 59.3892 29.4313 179.3744 79 A 4.0196 7.8484 120.6455 55.0231 18.3114 179.7552 80 I 2.9552 7.0412 118.1524 64.3564 37.1553 178.5518 81 I 3.6283 7.5628 120.6066 64.4204 36.9196 178.4684 82 R 3.8877 8.0798 119.4163 59.6721 29.9456 178.8539 83 R 4.1878 8.3452 117.9634 59.1643 30.0783 178.8214 84 C 4.1993 8.5116 117.2960 62.7248 28.1043 176.0502 85 R 4.0959 8.1481 120.3545 59.3824 29.4680 178.4161 86 F 4.3141 8.2245 119.3948 61.3547 39.7052 176.8523 87 E 3.9204 8.7965 118.6113 58.1720 29.4194 178.0854 88 L 4.5175 7.8860 116.3997 53.0697 42.8598 177.6402 89 G 4.2866 8.1368 106.1643 45.5973 0.0000 173.5957 90 V 4.5805 7.6233 117.3580 59.5676 34.1527 174.8078 91 E 4.7679 9.0479 122.3473 55.4749 31.4760 175.1615 92 I 5.2919 8.1280 114.5378 59.9450 41.4696 173.4012 93 T 4.5555 8.9269 116.8117 60.6238 71.7003 172.2046 94 D 4.5751 8.7921 119.5293 54.6414 39.4415 173.5470 95 L 4.4315 8.1901 116.9070 55.6883 42.5080 177.6122 96 T 4.8110 9.3053 120.2796 61.0648 72.7379 171.7796 97 P 4.0191 0.0000 0.0000 62.7795 31.4914 176.5722 98 V 4.1527 8.6893 115.8360 61.1489 34.6728 175.2785 99 Y 5.1757 7.1727 119.9564 56.3591 39.7493 172.7675 100 P 4.2439 0.0000 0.0000 64.9108 32.0918 177.2372 101 H 4.8367 8.1955 112.8530 55.5443 29.2104 174.8521 102 F 3.9827 7.6786 123.6272 58.2379 40.2287 173.9962 103 S 4.6983 7.3574 120.2947 56.6586 66.9085 172.5159 104 Y 4.4190 8.4331 124.9548 55.8391 40.6100 174.1163 105 R 4.7920 8.1032 127.1747 54.4531 32.0741 174.5711 106 A 4.8157 8.7911 128.8861 50.1043 21.9810 174.6356 107 T 5.1324 8.5075 112.0324 59.7987 71.5953 173.9413 108 D 4.7449 8.6783 124.3549 51.5590 40.9091 175.4034 109 P 4.2159 0.0000 0.0000 65.0857 31.2008 177.1506 110 N 4.6533 8.7457 114.2155 52.6767 38.7808 175.6727 111 G 3.8947 8.3849 106.6326 45.5670 0.0000 173.6792 112 I 3.9324 7.8144 121.2205 61.0051 38.0767 174.9773 113 V 4.8296 8.3929 126.8684 61.1846 33.6603 174.4342 114 E 4.7417 9.3665 126.6462 54.6038 32.3190 174.5510 115 N 5.4999 8.7487 121.7243 51.3592 41.5892 173.7763 116 E 4.9156 8.6329 119.5268 54.8288 33.7052 175.0290 117 V 4.0036 8.2965 115.6742 61.6133 32.9015 175.5384 118 C 5.6574 8.9457 123.7228 56.5048 31.3149 171.4372 119 P 4.6164 0.0000 0.0000 63.1805 32.6838 176.4263 120 V 5.0921 8.3801 121.9212 61.4552 33.9715 174.4137 121 F 5.2802 9.4625 124.5725 55.7057 43.2632 173.7390 122 A 5.3940 9.0027 122.6577 50.6556 21.8189 175.5161 123 A 5.1664 8.8097 119.8468 50.8119 23.6440 175.0130 124 R 5.3786 9.1540 119.4964 54.5117 32.7406 175.0509 125 A 4.9403 9.2092 129.0222 52.1872 19.0440 177.2591 126 T 4.7182 9.1637 110.9534 61.3571 70.1108 173.2464 127 S 4.8943 7.8610 115.8205 56.5858 66.7113 173.9153 128 V 3.9091 8.3097 119.2031 61.2887 31.8501 175.9704 129 L 4.2518 8.3782 121.7805 55.3105 42.3480 177.5001 130 Q 4.5168 8.8169 120.7386 54.0226 29.7517 173.6136 131 V 3.7443 7.8165 121.1982 62.5086 33.0703 174.6637 132 N 4.6244 8.8563 127.4663 52.5292 38.9597 175.9590 133 S 4.6592 8.6533 121.3375 60.3198 63.3841 175.3454 134 E 4.1185 8.2375 120.0520 58.1623 29.7557 177.2594 135 E 4.3786 8.3380 118.2577 57.0447 31.1813 175.6578 136 V 4.9399 6.9435 115.2066 59.6586 35.2245 172.7081 *138 D 4.6090 8.1830 120.1417 54.4183 42.4081 173.2260 139 Y 5.3154 7.5703 116.9252 56.8905 40.2757 173.1634 140 Q 4.6406 8.9118 119.4170 54.2614 33.6600 174.0574 141 W 5.0922 8.9748 123.9356 56.3990 29.9153 175.6882 142 S 4.8659 9.5545 119.6392 56.0812 66.1693 173.1180 143 E 4.4757 8.8310 124.8737 56.2372 30.1043 177.8243 144 F 4.2191 9.3669 125.4915 61.5124 39.5900 177.2567 145 K 4.0545 8.4809 117.5740 59.7998 31.9666 179.3004 146 S 4.0878 8.0223 114.7487 61.5430 62.8356 176.6150 147 V 3.3911 7.7191 120.9453 65.7315 31.1866 177.8858 148 W 4.1561 8.1254 128.2357 60.1779 30.4765 177.9611 149 K 3.5675 7.8146 118.4140 59.6580 31.4652 179.4091 150 S 4.0542 7.7059 114.6538 61.2073 62.5393 176.6809 151 L 3.7347 7.3821 121.2157 57.3470 41.2865 179.3658 152 L 3.6067 6.8895 118.0256 57.4933 41.5966 179.0772 153 A 4.1405 7.4321 119.4368 54.0294 19.9537 178.1526 154 T 3.9375 7.8327 107.4277 58.7003 68.6060 172.6100 155 P 4.2286 0.0000 0.0000 66.0373 31.9417 179.2912 156 W 4.3475 7.4487 114.0889 58.1693 28.0831 176.2149 157 A 4.2408 7.2870 121.4446 52.4391 18.0587 176.3523 158 F 5.0174 7.6941 114.3111 54.9386 43.1157 174.7721 159 S 3.5799 8.1614 116.9386 57.3228 62.8517 173.1493 160 P 4.3347 0.0000 0.0000 65.3988 31.3562 177.3009 161 W 4.5543 7.1262 116.0804 56.6772 28.0922 176.7153 *163 V 3.9473 7.8249 115.6623 64.2057 32.2121 176.3906 *165 Q 4.0703 8.0976 117.9473 55.5464 30.2092 177.4505 166 A 3.9210 8.0938 117.8015 54.3873 18.6699 178.5148 167 S 4.4527 7.8739 110.7692 60.4121 63.4156 174.7074 168 D 4.3814 7.7182 120.6014 53.5155 41.7252 176.0437 169 E 3.7137 8.6773 127.6568 59.5215 29.7559 178.8167 170 Q 3.7763 7.7993 117.1851 58.8571 28.7872 178.3944 171 A 3.9914 7.9653 123.3915 54.4628 18.2764 179.6855 172 R 3.5055 7.8479 117.4360 59.3866 30.0627 178.5575 173 E 3.8164 8.1121 118.5877 59.3370 29.1814 179.5712 174 R 3.7543 7.5526 116.9881 59.1899 30.2940 178.7958 175 L 3.7590 7.7369 119.0448 57.5618 41.2742 179.3909 176 L 3.5654 7.5740 119.4536 57.1181 42.3401 177.7376 177 N 4.6914 7.5736 114.1799 52.9294 38.6892 176.0430 178 Y 3.9619 7.2796 123.3666 61.0725 38.6866 177.9428 179 C 3.6372 7.5140 115.2532 62.0268 28.4284 174.3748 180 Q 4.1028 7.2488 115.5180 54.9125 28.9069 175.9621 181 R 4.0300 7.2853 122.2963 56.6325 30.6992 175.8780 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 31 L 8.18 4.17 0.00 1.64 1.80 0.93 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 32 H 7.92 3.98 0.00 3.46 3.57 0.00 5.55 0.00 0.00 0.00 0.00 6.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 L 8.42 5.05 0.00 1.55 1.62 0.96 0.82 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 34 A 8.93 4.93 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 35 F 8.28 5.15 0.00 3.21 3.18 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 0.00 0.00 0.00 0.00 36 S 9.44 5.26 0.00 3.96 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 37 C 9.59 5.65 0.00 3.17 2.87 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 38 W 9.68 4.84 0.00 3.35 3.13 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 39 L 8.96 5.34 0.00 1.78 1.49 1.14 0.80 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 40 F 9.78 5.86 0.00 3.34 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 41 N 9.01 4.89 0.00 2.18 1.42 0.00 0.00 6.80 8.47 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 42 E 8.59 3.96 0.00 1.88 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 2.26 2.35 0.00 43 D 7.93 4.48 0.00 2.62 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 44 G 8.25 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 0.00 0.00 0.00 45 Q 7.82 4.63 0.00 2.35 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.92 0.00 0.00 0.00 0.00 0.00 2.68 2.45 0.00 46 L 9.07 4.50 0.00 1.75 1.83 0.74 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 47 L 8.54 4.17 0.00 0.27 1.10 -0.21 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 48 V 8.65 4.37 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 1.25 0.00 0.00 0.85 0.00 0.00 49 T 8.64 5.08 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 1.10 0.00 0.00 50 R 8.14 4.36 0.00 0.67 0.95 0.00 2.25 0.00 0.00 2.69 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.50 0.00 51 R 8.61 4.20 0.00 1.93 1.88 0.00 3.48 0.00 0.00 3.51 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.71 0.00 52 S 8.65 4.51 0.00 3.86 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 53 L 8.52 4.05 0.00 1.63 1.75 0.89 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 54 S 7.42 4.51 0.00 4.02 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 55 K 7.50 4.16 0.00 1.79 1.94 0.00 1.75 0.00 0.00 1.72 0.00 0.00 3.05 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.64 1.60 7.81 56 K 8.86 4.03 0.00 1.75 1.87 0.00 1.71 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.45 1.45 7.81 57 A 7.84 4.58 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 W 8.36 3.72 0.00 3.69 3.42 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 59 P 0.00 4.40 0.00 2.21 2.37 0.00 3.74 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 2.06 1.95 0.00 60 G 8.54 3.50 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 0.00 0.00 0.00 0.00 61 V 6.92 4.34 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.00 0.00 1.19 0.00 0.00 62 W 8.55 4.73 0.00 3.17 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 63 T 9.09 4.74 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 1.27 0.00 0.00 64 N 8.02 4.08 0.00 1.44 1.42 0.00 0.00 5.99 7.64 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 65 S 8.16 4.19 0.00 3.84 3.84 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 66 V 7.82 4.68 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 1.17 0.00 0.00 0.95 0.00 0.00 67 C 8.46 4.87 0.00 2.60 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 68 G 5.97 3.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 H 8.46 5.11 0.00 3.08 3.15 0.00 5.71 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 P 0.00 4.69 0.00 2.21 2.11 0.00 4.05 0.00 0.00 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.04 0.00 71 Q 8.98 4.64 0.00 2.19 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.93 0.00 0.00 0.00 0.00 0.00 2.44 2.25 0.00 72 Q 8.81 4.08 0.00 2.17 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.87 0.00 0.00 0.00 0.00 0.00 2.32 2.32 0.00 73 G 8.63 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 74 E 7.72 4.74 0.00 1.96 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 2.17 2.17 0.00 75 T 8.82 4.22 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 1.19 0.00 0.00 76 T 8.28 3.73 4.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 77 E 7.91 3.53 0.00 1.92 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 2.32 2.22 0.00 78 E 8.09 3.83 0.00 2.10 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 0.00 2.28 2.27 0.00 79 A 7.85 4.02 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 80 I 7.04 2.96 1.55 0.00 0.00 0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.34 -0.36 0.74 0.00 0.00 81 I 7.56 3.63 1.94 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 1.36 0.90 0.89 0.00 0.00 82 R 8.08 3.89 0.00 1.89 2.07 0.00 3.01 0.00 0.00 3.12 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.65 0.00 83 R 8.35 4.19 0.00 2.11 2.28 0.00 3.46 0.00 0.00 3.25 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.07 0.00 84 C 8.51 4.20 0.00 3.01 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.15 4.10 0.00 2.03 2.13 0.00 3.12 0.00 0.00 3.13 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.67 0.00 86 F 8.22 4.31 0.00 3.06 3.13 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 87 E 8.80 3.92 0.00 2.10 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.60 0.00 88 L 7.89 4.52 0.00 1.76 1.50 0.82 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 89 G 8.14 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 90 V 7.62 4.58 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 0.85 0.00 0.00 1.08 0.00 0.00 91 E 9.05 4.77 0.00 1.93 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 2.30 2.41 0.00 92 I 8.13 5.29 2.01 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 1.24 0.68 0.98 0.00 0.00 93 T 8.93 4.56 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 1.27 0.00 0.00 94 D 8.79 4.58 0.00 2.88 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 95 L 8.19 4.43 0.00 1.60 1.70 0.65 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 96 T 9.31 4.81 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 1.28 0.00 0.00 97 P 0.00 4.02 0.00 1.74 1.56 0.00 3.62 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.13 0.00 98 V 8.69 4.15 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 0.59 0.00 0.00 0.77 0.00 0.00 99 Y 7.17 5.18 0.00 2.72 2.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 P 0.00 4.24 0.00 1.88 2.00 0.00 3.73 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.98 0.00 101 H 8.20 4.84 0.00 3.38 3.41 0.00 5.70 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 F 7.68 3.98 0.00 1.51 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 0.00 103 S 7.36 4.70 0.00 3.50 3.49 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 0.00 104 Y 8.43 4.42 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 0.00 105 R 8.10 4.79 0.00 1.81 1.62 0.00 3.19 0.00 0.00 3.35 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.53 0.00 106 A 8.79 4.82 1.23 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 0.00 0.00 107 T 8.51 5.13 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 1.20 0.00 0.00 108 D 8.68 4.74 0.00 2.94 2.87 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 0.00 109 P 0.00 4.22 0.00 2.06 2.17 0.00 3.65 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 2.02 2.12 0.00 110 N 8.75 4.65 0.00 2.78 2.83 0.00 0.00 7.06 7.38 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 0.00 111 G 8.38 3.89 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 0.00 112 I 7.81 3.93 2.21 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 1.23 0.79 0.91 0.00 0.00 113 V 8.39 4.83 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 0.76 0.00 0.00 0.98 0.00 0.00 114 E 9.37 4.74 0.00 1.88 1.83 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 2.22 2.26 0.00 115 N 8.75 5.50 0.00 2.48 2.62 0.00 0.00 6.91 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 0.00 116 E 8.63 4.92 0.00 2.10 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 2.44 2.34 0.00 117 V 8.30 4.00 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 0.75 0.00 0.00 1.04 0.00 0.00 118 C 8.95 5.66 0.00 2.95 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 0.00 119 P 0.00 4.62 0.00 2.36 2.26 0.00 4.12 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.17 0.00 120 V 8.38 5.09 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 1.14 0.00 0.00 0.98 0.00 0.00 121 F 9.46 5.28 0.00 3.09 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 0.00 122 A 9.00 5.39 0.30 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 0.00 123 A 8.81 5.17 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 0.00 0.00 0.00 0.00 0.00 0.00 124 R 9.15 5.38 0.00 2.12 1.90 0.00 3.28 0.00 0.00 3.49 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.71 0.00 125 A 9.21 4.94 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 126 T 9.16 4.72 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 1.30 0.00 0.00 127 S 7.86 4.89 0.00 3.86 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 0.00 128 V 8.31 3.91 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 0.78 0.00 0.00 1.00 0.00 0.00 129 L 8.38 4.25 0.00 1.57 1.47 0.59 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 130 Q 8.82 4.52 0.00 1.93 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 7.00 0.00 0.00 0.00 0.00 0.00 2.28 2.30 0.00 131 V 7.82 3.74 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 0.64 0.00 0.00 0.19 0.00 0.00 132 N 8.86 4.62 0.00 2.57 2.47 0.00 0.00 6.74 8.35 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 0.00 133 S 8.65 4.66 0.00 3.99 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 0.00 134 E 8.24 4.12 0.00 2.09 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 2.24 0.00 135 E 8.34 4.38 0.00 1.94 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 2.01 2.11 0.00 136 V 6.94 4.94 2.00 0.00 0.00 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 0.84 0.00 0.00 *138 D 8.18 4.61 0.00 2.59 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 139 Y 7.57 5.32 0.00 2.85 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 0.00 140 Q 8.91 4.64 0.00 1.90 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 7.00 0.00 0.00 0.00 0.00 0.00 2.35 2.23 0.00 141 W 8.97 5.09 0.00 3.27 3.30 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 0.00 142 S 9.55 4.87 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 0.00 143 E 8.83 4.48 0.00 2.12 1.98 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 2.48 2.31 0.00 144 F 9.37 4.22 0.00 3.51 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 0.00 145 K 8.48 4.05 0.00 1.94 1.97 0.00 1.80 0.00 0.00 1.90 0.00 0.00 3.04 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.72 1.73 7.81 146 S 8.02 4.09 0.00 4.03 3.88 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 0.00 147 V 7.72 3.39 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 0.78 0.00 0.00 0.91 0.00 0.00 148 W 8.13 4.16 0.00 2.95 3.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 149 K 7.81 3.57 0.00 1.97 1.72 0.00 1.68 0.00 0.00 1.60 0.00 0.00 2.94 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.39 1.71 7.81 150 S 7.71 4.05 0.00 3.86 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 0.00 151 L 7.38 3.73 0.00 1.48 1.57 1.01 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 152 L 6.89 3.61 0.00 1.14 1.29 0.52 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 153 A 7.43 4.14 1.18 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 0.00 0.00 0.00 0.00 0.00 0.00 154 T 7.83 3.94 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 1.03 0.00 0.00 155 P 0.00 4.23 0.00 2.27 2.44 0.00 3.52 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 1.97 0.00 156 W 7.45 4.35 0.00 3.57 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 0.00 157 A 7.29 4.24 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 158 F 7.69 5.02 0.00 2.86 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 0.00 159 S 8.16 3.58 0.00 2.72 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 0.00 160 P 0.00 4.33 0.00 2.43 2.29 0.00 2.20 0.00 0.00 2.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.65 0.00 161 W 7.13 4.55 0.00 3.30 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 *163 V 7.82 3.95 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.99 0.00 0.00 *165 Q 8.10 4.07 0.00 2.46 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.19 6.70 0.00 0.00 0.00 0.00 0.00 1.16 1.66 0.00 166 A 8.09 3.92 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 167 S 7.87 4.45 0.00 4.09 4.12 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 0.00 168 D 7.72 4.38 0.00 2.67 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 169 E 8.68 3.71 0.00 1.96 1.83 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 2.28 2.30 0.00 170 Q 7.80 3.78 0.00 2.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.68 0.00 0.00 0.00 0.00 0.00 2.34 2.27 0.00 171 A 7.97 3.99 0.91 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 0.00 172 R 7.85 3.51 0.00 1.66 1.68 0.00 2.21 0.00 0.00 2.25 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 1.41 0.00 173 E 8.11 3.82 0.00 2.03 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 2.21 2.36 0.00 174 R 7.55 3.75 0.00 1.72 1.84 0.00 3.27 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 1.54 1.84 0.00 175 L 7.74 3.76 0.00 1.08 0.76 -0.24 0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 176 L 7.57 3.57 0.00 1.45 1.71 1.05 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 177 N 7.57 4.69 0.00 2.78 2.68 0.00 0.00 6.56 7.53 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 0.00 178 Y 7.28 3.96 0.00 2.81 2.43 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 0.00 179 C 7.51 3.64 0.00 2.81 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 0.00 180 Q 7.25 4.10 0.00 2.05 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.11 0.00 0.00 0.00 0.00 0.00 2.26 2.23 0.00 181 R 7.29 4.03 0.00 1.89 1.81 0.00 3.09 0.00 0.00 3.16 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.34 0.00 * Residues marked with a * may have inaccurate shift predictions.