NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 29 G 3.8475 8.3501 109.7265 45.7516 0.0000 173.2734 30 A 4.6762 8.3429 127.9311 49.8333 20.6959 175.0733 31 Q 4.1781 8.6869 115.2152 56.4507 29.9948 174.3867 32 Q 4.8063 8.5824 117.4714 55.0782 29.4082 174.6435 33 Y 4.7375 6.8710 114.7142 56.9493 40.0642 173.0074 34 V 4.5004 8.0586 111.1566 59.7161 35.6390 174.5063 35 N 5.1389 8.7264 119.6763 53.1655 39.8510 175.0944 36 I 4.3045 8.6346 124.3855 60.3128 38.3416 174.2062 37 N 5.2085 8.5981 126.1942 50.7957 41.0859 172.3972 38 P 4.5655 0.0000 0.0000 61.4491 33.0329 176.6074 39 P 5.0539 0.0000 0.0000 61.1019 30.0906 172.3425 *41 P 4.2108 0.0000 0.0000 62.9352 32.6627 173.9521 42 S 5.1113 8.2260 114.6597 57.2892 65.5085 173.2881 43 D 4.8695 8.2856 117.3098 55.9474 39.7248 175.4868 44 T 3.5735 7.8875 104.6064 63.4715 68.5350 169.6362 45 P 4.7026 0.0000 0.0000 62.2309 32.8531 174.9910 46 G 4.7025 8.3596 117.0912 45.5702 0.0000 171.7401 47 K 4.6781 7.4536 119.9551 54.6519 33.7836 176.2426 48 I 4.0697 9.4236 127.7464 60.9179 38.3608 174.5922 49 E 4.8706 8.8427 128.7505 55.2059 31.4628 174.7040 50 V 4.8954 8.9184 126.7768 61.1386 34.4962 173.8553 51 L 4.9870 9.3619 128.6754 52.8858 44.2720 174.9262 52 E 4.3459 8.7041 125.6118 54.2654 31.4671 174.5763 53 F 4.9240 8.9727 127.9193 56.9116 40.5759 175.3250 54 F 5.3417 8.5864 117.9627 55.8846 42.2394 172.9527 55 A 4.3334 8.5219 118.1169 51.0358 21.6163 177.3665 56 Y 4.2608 8.6877 120.9138 61.2963 38.1498 178.1064 57 T 4.2293 8.0327 108.2538 63.6361 69.6312 174.5657 58 C 4.4324 8.3395 124.0107 58.3339 32.1177 172.0892 59 P 4.1138 0.0000 0.0000 65.9803 30.8654 177.9710 60 H 4.1641 8.1922 117.9181 59.3714 29.9666 176.7980 61 C 4.0914 8.1544 117.9020 62.5498 27.7789 175.7167 62 A 2.9666 7.8103 121.1502 54.9919 18.1195 179.0507 63 A 3.9769 7.8311 117.9754 55.1268 18.4898 178.9146 64 I 3.9778 7.5295 114.4919 61.7509 38.4793 176.7596 65 E 3.9227 7.5219 120.8213 58.9533 29.3691 178.6087 66 P 4.5899 0.0000 0.0000 62.6477 31.0306 178.3526 *68 V 4.0811 7.9946 120.0243 64.1769 33.2133 177.0116 69 E 4.0754 8.4752 118.3192 59.4461 29.6180 178.5570 70 D 4.4823 8.2438 118.1388 57.0800 41.3615 177.9360 71 W 4.1241 8.3972 128.2253 60.5950 30.1657 177.6052 72 A 3.9440 8.6225 120.6114 54.9909 17.5677 179.7225 73 K 4.0704 7.8028 116.0554 58.5274 32.1272 177.9672 74 T 4.2841 7.0066 106.0530 60.7481 69.2296 174.3361 75 A 3.4759 6.6771 124.0698 51.2289 19.0359 176.1091 76 P 4.2816 0.0000 0.0000 62.6426 31.8556 178.0909 77 Q 4.0903 8.6739 120.9497 58.2138 28.7987 176.9494 78 D 4.9143 7.9780 117.1023 52.7917 39.9197 175.2868 79 V 5.0493 7.7158 118.9423 61.7395 34.4003 175.0053 80 V 4.5824 8.7856 126.1352 59.8090 34.5787 173.8870 81 L 5.1230 8.6673 125.4011 53.5269 43.7264 175.1514 82 K 4.5920 9.1742 127.5211 54.7682 35.1248 174.4411 83 Q 4.7269 8.7866 126.6854 54.5241 30.3180 175.0871 84 V 4.2619 8.4674 125.2072 60.0747 33.8031 172.9354 85 P 3.3374 0.0000 0.0000 62.1072 31.9496 175.4134 86 I 4.4985 7.6396 115.2209 58.9242 41.0978 174.9599 87 A 4.2620 7.8335 124.0306 50.6894 20.4613 176.1438 88 F 4.7499 8.5250 121.3059 59.4663 39.6947 175.8504 89 N 5.0247 7.8229 115.9995 50.7401 40.0223 174.0038 90 A 4.1052 8.9729 123.2554 55.7683 18.4339 180.6499 91 G 3.8137 7.8102 105.4227 45.1997 0.0000 174.7970 *93 K 4.7458 8.1379 121.4273 55.7092 34.1017 175.7129 94 P 4.4966 0.0000 0.0000 65.5640 31.0040 178.5003 95 L 4.2660 8.0206 117.4463 57.4605 41.4426 179.3815 96 Q 3.8766 7.8683 117.8586 59.0009 28.7812 178.0545 97 Q 3.8836 8.0887 119.0610 58.9262 28.7059 178.7414 98 L 4.2595 8.2304 121.2360 58.6335 42.0717 178.1320 99 Y 4.3553 8.0129 119.0181 61.4258 38.6940 178.0410 100 Y 3.9821 7.7250 116.7360 61.1925 38.0067 178.6375 101 T 3.8690 8.2834 117.1141 66.7022 68.4970 176.6506 102 L 4.1426 8.1105 120.8223 57.7081 41.5518 179.7212 103 Q 3.8417 7.6716 117.4990 58.9028 28.5035 178.4266 104 A 4.0329 8.2131 120.8198 55.0031 18.5008 178.9610 105 L 4.1565 8.0308 114.3945 54.5024 42.1325 176.6907 106 E 3.8104 8.2338 117.6506 57.8326 28.1261 175.1506 107 R 4.8159 8.0519 112.6595 54.0081 30.9764 175.4505 108 P 4.4658 0.0000 0.0000 64.9273 31.6154 177.6671 109 D 4.4380 8.0124 118.3525 56.0881 39.8184 177.6314 110 L 4.3499 8.0801 120.1607 56.8297 41.2268 177.9368 111 H 4.2382 7.9472 119.1837 59.3309 29.2183 175.2673 112 P 4.7513 0.0000 0.0000 65.6688 31.0735 178.3730 113 K 4.1497 7.6887 119.2220 59.3742 31.9827 179.1061 114 V 2.6060 7.6629 118.4882 65.6584 31.1394 178.0618 115 F 4.2860 7.8283 116.7164 60.9806 38.8677 177.4457 116 T 3.9077 7.7559 114.0678 66.8114 68.2611 176.4849 117 A 3.9896 8.1462 122.7066 55.0618 17.8480 179.8355 118 I 3.6761 7.4807 119.4727 64.2129 37.0917 178.3082 119 H 4.1988 8.6199 115.6302 58.8160 28.9544 177.1582 120 T 4.1612 7.8306 115.5298 66.1625 68.6662 175.5800 121 E 4.2276 8.4980 118.3198 56.0380 29.9289 176.8789 122 R 3.9908 7.4462 116.2134 56.8071 28.1477 176.1929 123 K 4.0951 8.0865 118.6845 56.3657 32.9562 177.9490 124 R 3.9444 8.0779 124.2627 55.1062 29.0182 177.8615 125 L 4.0765 6.2195 123.5915 53.3962 40.6662 177.2325 126 F 5.0224 7.4054 115.2384 57.2202 40.8019 175.8199 127 D 4.9922 7.5596 119.4532 50.8126 42.4918 175.8961 128 K 3.4950 8.9050 121.5434 59.7672 32.4028 177.4298 129 K 3.8492 8.3755 118.7942 59.7256 32.1197 179.1651 130 A 3.8486 7.8835 117.3692 53.0143 17.8676 179.2061 *132 G 3.1151 8.1606 109.9710 46.7615 0.0000 175.8423 133 E 3.8184 8.1295 119.6895 58.9775 29.5635 179.2690 134 W 3.9982 8.1260 128.0117 60.2663 30.8289 177.6007 135 A 3.5998 7.9103 119.9872 55.2264 17.6900 179.3681 136 A 4.6443 7.8163 120.4765 54.8340 18.1681 179.7586 137 S 3.8968 7.5560 110.8619 61.0794 62.4583 175.4876 138 Q 4.0652 6.9954 117.9458 55.5366 28.6462 176.2984 139 G 3.9578 7.7637 109.1574 45.2429 0.0000 173.5591 140 V 4.1829 7.4361 118.9045 60.7934 33.2233 174.5891 141 D 4.7959 8.4380 125.2246 53.6906 42.1333 176.8596 142 R 3.9321 8.7771 127.0408 59.6219 30.0751 178.0299 143 A 4.0229 8.1254 119.8125 55.2200 18.3672 179.6321 144 K 3.9397 8.5200 116.9320 59.4546 32.1669 179.2153 145 F 4.0634 8.6910 121.3105 61.5272 38.8045 176.4527 146 D 4.4537 8.8639 118.6284 57.8481 40.7176 179.3399 147 S 4.1604 8.0503 114.9493 61.8019 62.7071 177.0609 148 V 3.5827 7.8185 119.6884 65.9695 31.3102 177.5857 149 F 4.2751 8.3531 120.9766 59.8351 39.2098 175.7720 150 D 4.7998 7.4941 115.6527 53.1726 42.3673 176.6863 151 S 4.2022 7.3098 114.9130 58.6183 63.4498 175.6333 152 F 4.3138 8.8364 123.5039 61.0036 39.1255 177.8108 153 S 3.8959 7.9634 114.0287 61.2497 62.9669 176.4974 154 V 3.3110 7.4711 121.4896 65.6483 31.0772 177.7342 155 Q 3.8401 7.6886 118.7619 59.3171 28.6460 178.7224 156 T 3.7886 7.0564 116.4719 66.5388 68.5484 176.7823 157 Q 3.6230 7.4870 119.9132 58.8047 28.5150 179.2785 158 V 3.6095 7.4096 119.0770 65.9097 31.5065 178.1096 159 Q 3.8926 7.4799 117.5718 59.0145 28.6169 178.6027 160 R 3.8300 8.1742 119.7875 59.5660 29.9653 177.9128 161 A 4.0343 8.4107 120.6111 55.6922 18.3467 179.7416 162 S 3.9929 8.3224 112.7752 61.4999 62.9102 176.8295 163 Q 3.9237 8.4808 122.7201 59.3310 28.9047 178.6039 164 L 4.0440 8.4145 120.0982 57.7224 41.7669 179.2521 165 A 3.1641 8.2020 120.8784 54.9528 18.3131 179.6139 166 E 3.8649 8.2904 117.0450 59.3856 29.4049 179.2812 167 A 3.9758 7.8893 119.2479 54.0888 18.4980 178.4694 168 A 4.2299 7.4295 117.0199 51.2963 20.2284 176.3151 169 H 3.9614 7.6383 113.0789 56.3372 26.6502 175.9758 170 I 3.6771 7.3268 119.1161 61.7672 37.6104 176.7720 171 D 4.4860 8.8256 125.4966 55.6825 40.4574 176.4892 172 G 4.1178 7.4751 106.8304 45.7853 0.0000 172.0785 173 T 4.7790 8.5527 110.1730 59.2427 71.7743 171.9974 174 P 4.8179 0.0000 0.0000 62.5797 32.6766 175.3799 175 A 4.8764 8.2756 121.7764 50.5325 22.8926 175.1765 176 F 5.3799 9.6317 119.5653 55.5683 42.3125 174.5520 177 A 5.1360 9.3247 124.8621 50.1630 21.9193 175.2418 178 V 4.5671 9.1228 122.5755 61.6499 34.3945 175.7413 179 G 3.9495 10.2947 115.4436 45.9401 0.0000 173.8262 180 G 3.9195 8.3286 103.9602 45.7377 0.0000 174.5945 181 R 4.3010 7.8449 118.5463 55.6192 32.0251 173.8862 182 Y 5.6325 7.0112 113.2685 55.8938 42.7236 173.6981 *184 T 4.6277 8.2857 113.6690 63.2076 69.3754 172.6682 185 S 4.9489 8.1470 116.9332 55.9669 65.8340 173.9220 186 P 4.2927 0.0000 0.0000 65.6716 31.2244 179.0750 187 V 3.7834 7.7188 117.4720 64.9238 31.4264 178.3624 188 L 4.0937 8.1657 119.3527 56.3388 41.1999 178.1555 189 A 4.7293 7.7083 118.6448 51.5898 19.3137 178.3797 190 G 3.9809 7.6216 105.6966 46.9120 0.0000 173.9871 191 N 4.3613 7.6016 121.3253 51.8926 38.6154 175.5196 192 D 4.5982 7.8871 124.2989 52.0770 40.1435 175.6129 193 Y 4.3365 7.6343 121.9489 60.8329 38.2908 177.8122 194 A 4.1663 8.2126 121.0974 54.9758 18.5168 179.6454 195 G 3.6236 9.1904 105.8187 47.2772 0.0000 175.6056 196 A 4.0135 8.2709 123.6886 55.0327 18.3389 179.7290 197 L 4.0232 7.7350 117.4720 57.9316 41.7580 179.9734 198 K 3.9806 8.2411 118.6210 59.3773 31.9282 179.6345 199 V 3.7705 8.2513 119.0865 65.7863 31.4599 178.0422 200 V 3.5664 8.3531 118.4210 66.3185 31.4386 177.6034 201 D 4.4036 8.3851 118.6485 57.6481 40.6904 179.0143 202 Q 4.0169 7.9504 118.1091 58.8616 28.6967 178.7094 203 L 3.9938 8.4864 120.3253 57.7852 41.5784 179.3750 204 I 3.6575 8.1731 120.1055 64.7321 36.9125 178.5809 205 V 3.5606 7.4224 116.7803 65.9800 31.0733 177.5559 206 Q 4.1051 8.1343 119.7138 59.1157 28.7249 178.2272 207 S 4.2421 8.3604 114.7185 61.2003 63.2834 176.0402 208 R 3.9803 8.1737 121.8881 58.6874 29.8076 176.5609 209 E 4.3542 7.6785 121.0019 56.3653 29.8293 175.7118 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 29 G 8.35 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 0.00 0.00 0.00 30 A 8.34 4.68 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 31 Q 8.69 4.18 0.00 1.47 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 7.55 0.00 0.00 0.00 0.00 0.00 2.15 2.04 0.00 32 Q 8.58 4.81 0.00 2.15 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.80 0.00 0.00 0.00 0.00 0.00 2.42 2.32 0.00 33 Y 6.87 4.74 0.00 3.13 2.95 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 34 V 8.06 4.50 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 0.91 0.00 0.00 1.03 0.00 0.00 35 N 8.73 5.14 0.00 2.70 2.86 0.00 0.00 6.93 7.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 I 8.63 4.30 2.02 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 1.18 0.94 0.96 0.00 0.00 37 N 8.60 5.21 0.00 2.70 2.69 0.00 0.00 7.27 7.69 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 38 P 0.00 4.57 0.00 2.22 2.04 0.00 3.86 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 1.99 1.95 0.00 39 P 0.00 5.05 0.00 2.16 1.99 0.00 3.40 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.95 0.00 *41 P 0.00 4.21 0.00 2.09 2.11 0.00 3.63 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 2.11 0.00 42 S 8.23 5.11 0.00 3.82 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 43 D 8.29 4.87 0.00 2.72 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 44 T 7.89 3.57 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 1.21 0.00 0.00 45 P 0.00 4.70 0.00 2.21 1.97 0.00 3.89 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.47 0.00 46 G 8.36 4.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 K 7.45 4.68 0.00 1.64 1.77 0.00 1.64 0.00 0.00 1.71 0.00 0.00 3.01 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.39 1.53 7.81 48 I 9.42 4.07 1.93 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 1.15 0.76 0.98 0.00 0.00 49 E 8.84 4.87 0.00 2.22 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 2.35 2.33 0.00 50 V 8.92 4.90 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 1.10 0.00 0.00 51 L 9.36 4.99 0.00 1.28 0.82 0.93 -0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 52 E 8.70 4.35 0.00 1.78 1.59 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 1.76 1.47 0.00 53 F 8.97 4.92 0.00 2.96 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 54 F 8.59 5.34 0.00 3.07 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 55 A 8.52 4.33 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 56 Y 8.69 4.26 0.00 3.00 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 57 T 8.03 4.23 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 1.45 0.00 0.00 58 C 8.34 4.43 0.00 3.16 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 59 P 0.00 4.11 0.00 2.34 2.41 0.00 3.86 0.00 0.00 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.10 0.00 60 H 8.19 4.16 0.00 3.26 3.33 0.00 5.69 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 61 C 8.15 4.09 0.00 3.36 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 62 A 7.81 2.97 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 A 7.83 3.98 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 64 I 7.53 3.98 1.98 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.90 0.94 0.00 0.00 65 E 7.52 3.92 0.00 1.37 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 2.22 2.41 0.00 66 P 0.00 4.59 0.00 2.26 2.25 0.00 3.77 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 2.04 1.92 0.00 *68 V 7.99 4.08 2.21 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 1.08 0.00 0.00 1.08 0.00 0.00 69 E 8.48 4.08 0.00 2.01 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 2.42 2.59 0.00 70 D 8.24 4.48 0.00 2.96 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 71 W 8.40 4.12 0.00 3.44 3.41 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 72 A 8.62 3.94 1.57 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 0.00 0.00 73 K 7.80 4.07 0.00 1.90 1.85 0.00 1.67 0.00 0.00 1.76 0.00 0.00 3.09 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.47 1.64 7.81 74 T 7.01 4.28 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 1.14 0.00 0.00 75 A 6.68 3.48 0.52 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 0.00 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0.00 1.96 1.97 0.82 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 111 H 7.95 4.24 0.00 3.34 3.64 0.00 5.78 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 0.00 112 P 0.00 4.75 0.00 2.42 2.68 0.00 3.95 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 2.29 2.16 0.00 113 K 7.69 4.15 0.00 2.57 2.44 0.00 1.85 0.00 0.00 1.70 0.00 0.00 2.95 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.71 1.71 7.81 114 V 7.66 2.61 1.08 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 -0.27 0.00 0.00 0.46 0.00 0.00 115 F 7.83 4.29 0.00 3.33 3.06 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 0.00 116 T 7.76 3.91 4.48 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 1.33 0.00 0.00 117 A 8.15 3.99 0.94 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 0.00 118 I 7.48 3.68 1.97 0.00 0.00 0.66 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 0.00 0.00 0.00 0.00 0.00 0.00 153 S 7.96 3.90 0.00 4.00 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 0.00 154 V 7.47 3.31 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 0.78 0.00 0.00 0.94 0.00 0.00 155 Q 7.69 3.84 0.00 2.10 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.61 0.00 0.00 0.00 0.00 0.00 2.26 2.35 0.00 156 T 7.06 3.79 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 0.99 0.00 0.00 157 Q 7.49 3.62 0.00 1.03 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.80 0.00 0.00 0.00 0.00 0.00 2.04 2.32 0.00 158 V 7.41 3.61 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 1.03 0.00 0.00 0.95 0.00 0.00 159 Q 7.48 3.89 0.00 2.18 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.54 0.00 0.00 0.00 0.00 0.00 2.31 2.56 0.00 160 R 8.17 3.83 0.00 1.84 1.96 0.00 3.26 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.75 0.00 161 A 8.41 4.03 1.52 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 0.00 0.00 162 S 8.32 3.99 0.00 3.85 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 0.00 163 Q 8.48 3.92 0.00 2.31 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.81 0.00 0.00 0.00 0.00 0.00 2.35 2.39 0.00 164 L 8.41 4.04 0.00 2.07 1.97 0.97 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 165 A 8.20 3.16 1.14 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 0.00 0.00 0.00 166 E 8.29 3.86 0.00 2.11 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 2.40 2.44 0.00 167 A 7.89 3.98 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 0.00 168 A 7.43 4.23 1.20 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 0.00 0.00 169 H 7.64 3.96 0.00 3.35 3.34 0.00 5.67 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 170 I 7.33 3.68 1.75 0.00 0.00 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 -0.36 1.02 0.00 0.00 171 D 8.83 4.49 0.00 2.73 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 0.00 172 G 7.48 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 0.00 0.00 0.00 173 T 8.55 4.78 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 1.25 0.00 0.00 174 P 0.00 4.82 0.00 1.98 1.85 0.00 3.42 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 1.89 2.03 0.00 175 A 8.28 4.88 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 0.00 176 F 9.63 5.38 0.00 2.81 2.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177 A 9.32 5.14 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 178 V 9.12 4.57 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 1.09 0.00 0.00 1.01 0.00 0.00 179 G 10.29 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 0.00 180 G 8.33 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 0.00 181 R 7.84 4.30 0.00 1.40 0.66 0.00 2.75 0.00 0.00 3.07 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 1.36 0.00 182 Y 7.01 5.63 0.00 2.87 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 *184 T 8.29 4.63 4.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 185 S 8.15 4.95 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 0.00 186 P 0.00 4.29 0.00 2.10 2.24 0.00 3.75 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.21 0.00 187 V 7.72 3.78 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 0.85 0.00 0.00 0.93 0.00 0.00 188 L 8.17 4.09 0.00 1.91 1.81 0.98 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 189 A 7.71 4.73 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 0.00 190 G 7.62 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 0.00 0.00 0.00 191 N 7.60 4.36 0.00 2.40 1.84 0.00 0.00 6.70 8.06 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 0.00 192 D 7.89 4.60 0.00 2.60 2.46 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 0.00 193 Y 7.63 4.34 0.00 3.11 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 0.00 194 A 8.21 4.17 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 0.00 195 G 9.19 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 196 A 8.27 4.01 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 0.00 197 L 7.73 4.02 0.00 1.84 1.75 0.94 0.94 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 0.00 198 K 8.24 3.98 0.00 1.99 1.86 0.00 1.67 0.00 0.00 1.58 0.00 0.00 2.90 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.47 1.70 7.81 199 V 8.25 3.77 2.22 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 0.99 0.00 0.00 0.97 0.00 0.00 200 V 8.35 3.57 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 0.92 0.00 0.00 0.99 0.00 0.00 201 D 8.39 4.40 0.00 2.92 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 0.00 202 Q 7.95 4.02 0.00 2.29 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.80 0.00 0.00 0.00 0.00 0.00 2.38 2.64 0.00 203 L 8.49 3.99 0.00 1.81 1.72 0.92 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 204 I 8.17 3.66 2.06 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 1.41 0.85 0.91 0.00 0.00 205 V 7.42 3.56 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 0.79 0.00 0.00 0.97 0.00 0.00 206 Q 8.13 4.11 0.00 2.30 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.59 0.00 0.00 0.00 0.00 0.00 2.35 2.36 0.00 207 S 8.36 4.24 0.00 4.02 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 0.00 208 R 8.17 3.98 0.00 1.91 2.17 0.00 3.25 0.00 0.00 3.22 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.68 0.00 209 E 7.68 4.35 0.00 2.02 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 2.29 2.59 0.00 * Residues marked with a * may have inaccurate shift predictions.