NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 4.6682 8.3349 116.8063 58.4765 63.8040 172.7844 3 R 4.3955 12.0000 125.6682 55.0111 31.6739 174.2917 4 I 4.9177 8.9630 124.4229 59.3735 40.8363 173.9328 5 L 5.0486 8.8722 128.2752 53.2712 44.5879 174.6482 6 A 4.9433 9.0690 129.2434 50.2549 21.2692 175.2146 7 V 4.3344 8.5993 123.8555 61.6679 33.6305 174.1482 8 H 5.6015 8.7549 125.1412 53.7157 30.1141 175.2303 9 A 4.5351 8.8785 125.1061 51.8000 20.2185 176.9571 10 S 4.1353 7.8271 111.2560 57.0828 63.1427 172.8802 11 P 4.5471 0.0000 0.0000 63.5853 31.8282 176.6791 12 R 4.4301 7.7124 118.5080 55.5800 32.7660 176.4278 13 G 3.7547 8.7713 109.5451 45.8446 0.0000 175.6534 14 E 3.8750 9.6749 120.8289 59.5721 29.9713 178.2404 15 R 4.2050 7.7935 114.2165 56.7801 31.0162 176.8045 16 S 4.3123 8.1675 115.0847 58.1054 63.3294 174.4847 17 Q 4.0949 8.7426 128.8339 58.9577 28.3707 178.5246 18 S 4.1206 8.0230 114.9249 61.3709 63.0319 176.4781 19 R 3.8349 8.0602 122.3488 59.0082 29.8596 178.4468 20 R 3.8651 7.8601 118.1911 59.5486 30.0184 178.4886 21 L 4.0229 8.1342 118.6030 57.7830 41.5799 179.4138 22 A 4.1119 7.8122 120.1701 54.9945 18.3621 179.5308 23 E 4.0748 8.3874 117.2130 59.1354 29.4579 179.7055 24 V 3.5979 7.8275 118.7422 65.9733 31.5543 177.8271 25 F 4.1240 8.1029 120.3257 61.3683 39.2260 177.1225 26 L 4.0025 8.2633 118.4815 57.4382 41.4249 179.3801 27 A 3.9242 8.2699 120.6707 55.0391 18.4122 179.2871 28 A 3.8830 7.8154 119.3439 55.7453 18.4678 179.2637 29 Y 3.7979 7.9869 118.0243 60.8450 38.5134 178.5622 30 R 4.0541 7.7827 118.3372 59.0651 30.1827 178.5138 31 E 4.0462 8.0933 117.7454 59.2940 29.5207 178.8803 32 A 4.0540 7.5256 119.3411 53.7122 19.9936 177.4156 33 H 4.7440 7.7687 114.1377 52.6252 29.0852 172.1105 34 P 4.4533 0.0000 0.0000 65.3994 31.3596 178.1709 35 Q 4.2928 7.9070 114.9296 55.8619 29.3566 175.7518 36 A 4.2437 8.1059 122.1168 52.1284 19.1884 176.8284 37 R 4.6186 8.4391 119.6936 54.7059 32.4272 175.4941 38 V 4.7785 8.4812 123.0709 61.1583 33.7711 174.1946 39 A 4.8407 9.0540 130.4648 50.3703 21.4592 175.4189 40 R 4.9952 8.5337 119.5825 54.2777 33.4911 175.4118 41 R 4.4583 9.0827 123.4550 54.3985 32.9175 173.6632 42 E 4.5570 8.8289 128.3958 55.8051 30.2514 176.1511 43 V 4.3541 8.8986 118.2552 61.0881 33.3898 177.1364 44 G 3.8461 8.2790 109.3673 46.2343 0.0000 175.5340 45 R 4.4006 8.3574 116.3124 55.8341 30.5750 176.5651 46 V 4.4864 7.2433 117.3694 60.0046 34.6108 172.9620 47 P 4.4565 0.0000 0.0000 62.3287 32.0655 175.2795 48 L 4.6949 8.2093 122.3406 52.2806 44.1767 174.2233 49 P 4.1906 0.0000 0.0000 63.1210 31.7950 176.0600 50 A 4.2612 8.2464 124.7227 50.9822 19.5007 177.3445 51 V 3.2352 8.0425 120.1438 63.1370 32.0680 176.6016 52 T 4.5605 8.1978 117.6055 60.0435 72.4524 174.9936 53 E 4.0009 8.5952 119.9936 59.3823 29.6403 178.3217 54 A 4.0895 8.0473 120.5125 54.9914 18.4032 179.2434 55 F 4.0382 8.1886 118.9623 61.3842 39.3547 177.5976 56 V 3.9838 8.2276 117.8042 66.0530 31.1233 177.8943 57 A 4.0687 8.0868 119.4257 55.0393 18.3951 179.2261 58 A 4.0604 8.0150 118.8953 55.2314 18.4418 179.8137 59 A 3.7004 7.8739 117.9624 53.9351 18.2563 178.3038 60 F 4.7743 7.4439 114.5480 57.3146 39.7041 175.0847 61 H 4.2591 7.7091 121.3320 55.7669 30.0405 173.8814 62 P 4.4861 0.0000 0.0000 64.9886 31.8402 176.4390 63 Q 4.5838 7.7427 118.0213 52.3545 29.0228 173.4583 64 P 4.2173 0.0000 0.0000 65.3503 31.8650 178.6025 65 E 3.8837 8.2037 114.3585 59.0382 29.2901 177.4708 66 Q 4.3917 8.0801 117.1444 55.5735 28.9264 176.0342 67 R 3.8589 7.7317 118.6902 55.8448 30.6964 177.4528 68 S 4.4453 8.2961 117.0665 57.7338 65.4828 175.3868 69 L 3.9661 8.3504 121.1547 57.7602 41.0450 179.5921 70 A 4.0065 7.8667 119.4005 55.5212 18.6448 179.1046 71 M 4.3046 7.9616 116.9701 58.6891 32.0140 179.0743 72 Q 3.9636 8.1969 118.0453 58.8056 28.6729 178.5747 73 A 4.0513 8.1253 121.8579 55.2458 18.1593 179.3486 74 D 4.4328 7.8125 116.0425 56.3245 41.0881 177.7285 75 L 4.5888 7.6518 117.5844 54.1483 42.2664 177.9876 76 A 3.9666 7.5446 122.8083 55.1262 18.3054 179.6313 77 L 3.9080 7.9307 118.2738 58.3680 42.1569 178.6938 78 S 4.1443 8.2469 112.5210 61.7434 62.3039 175.6906 79 D 4.3355 8.3814 121.5849 57.4257 40.6375 178.5715 80 Q 4.0085 8.1318 119.9354 59.2256 28.5282 178.4842 81 L 4.1536 8.2608 120.1356 58.1045 41.7372 180.0208 82 V 3.8828 8.2945 112.7979 64.0899 31.4222 178.7381 83 G 3.7895 8.2807 105.7580 48.0916 0.0000 175.5505 84 E 4.1068 7.9917 119.4028 58.9830 29.7453 178.9578 85 L 4.2184 7.7563 119.5592 58.1923 42.0031 178.9648 86 F 3.8727 8.8035 117.0760 60.4049 38.9523 176.6143 87 D 4.6997 8.1957 116.0357 54.2546 41.0465 176.1735 88 S 4.9784 7.2871 114.2472 56.7309 65.6892 173.3551 89 D 4.7752 9.0013 121.0205 54.8939 43.2451 176.3244 90 L 5.1051 7.7177 119.8928 52.9606 45.5203 174.8343 91 L 4.9657 8.6935 128.4245 53.4125 44.3226 174.8304 92 V 4.6360 8.7421 126.9999 61.1239 33.9559 174.0988 93 I 4.8698 8.7535 129.3334 59.4135 40.0121 174.4730 94 S 5.2258 8.6174 122.4144 56.9763 65.2429 173.1427 95 T 4.7993 8.7136 117.2833 60.3593 70.9817 170.8339 96 P 5.0469 0.0000 0.0000 61.8810 33.6503 174.6392 97 M 4.4043 8.4173 121.1618 54.9019 32.9878 175.0974 98 Y 4.6625 8.8806 125.4187 57.1140 39.7501 176.0301 99 N 3.7566 9.3483 124.7123 54.4080 36.3338 174.8511 100 F 3.9021 7.6744 111.2118 58.0632 37.5391 175.2359 101 S 4.6056 7.6763 115.6309 57.9343 64.2364 173.2030 102 V 4.5892 7.9640 111.7122 58.7148 33.9397 173.7113 103 P 4.4851 0.0000 0.0000 62.8793 31.9193 177.9361 104 S 4.2429 8.8632 116.1716 61.5803 62.7317 177.0352 105 G 3.8527 8.0480 110.3113 47.1325 0.0000 175.2831 106 L 4.1623 7.8433 122.7778 57.6892 42.1094 178.9380 107 K 4.2097 8.1627 119.1775 59.4809 32.2597 178.5466 108 A 4.0584 8.1487 121.2073 54.5928 18.0236 179.4783 109 W 4.1127 8.0137 126.3701 60.6482 31.2266 177.8927 110 I 3.6219 8.1006 119.7960 64.6699 36.4296 178.2246 111 D 4.4241 7.9876 117.8910 57.1687 40.5964 178.4181 112 Q 4.1558 7.5341 117.6288 57.8290 28.9748 177.4852 113 I 4.2066 7.0179 112.2781 60.9792 38.2654 176.0539 114 V 4.0596 7.5273 120.0540 62.0075 30.7989 174.8130 115 R 4.6514 9.2336 127.0403 53.6222 33.4455 175.3389 116 L 3.1052 8.0334 124.7238 56.0333 42.4330 177.7261 117 G 3.8420 8.7194 114.1555 44.7927 0.0000 173.2462 118 V 4.1753 7.3315 115.9055 64.1868 33.3628 176.2531 119 T 4.8201 8.1646 107.9291 61.4492 70.4403 173.0194 120 F 5.2058 7.6103 115.9310 56.6277 40.7367 172.0407 121 D 5.0003 9.3094 119.5008 53.2592 45.3838 173.1766 122 F 5.3436 8.2958 114.5290 55.4878 41.2693 173.6925 123 V 4.3824 8.8645 117.9318 60.0907 35.1788 174.0034 124 L 4.6262 8.4340 121.2611 54.8083 42.8740 175.4527 125 D 3.4144 8.8121 115.2223 55.0609 39.8545 177.7307 *128 V 3.8928 8.4707 118.0485 61.6069 33.6987 174.6842 129 A 4.6388 8.7173 130.1670 52.3808 19.1506 176.2027 130 Q 4.5217 9.5157 122.1838 54.3435 31.0948 174.9043 131 Y 5.2019 8.6575 121.8642 57.4566 39.8052 175.1232 132 R 4.7551 9.2302 122.2229 54.2063 33.8081 172.5416 133 P 4.7678 0.0000 0.0000 62.7370 32.3371 175.9043 134 L 4.6889 8.4594 119.7954 54.5729 43.1605 176.1908 135 L 4.3615 7.8955 120.9572 53.4098 43.1343 176.2426 136 R 4.4603 8.0796 121.7404 55.6043 33.8247 175.4421 137 G 3.8924 8.9671 108.4461 45.6965 0.0000 173.0457 138 K 4.8998 7.7014 117.2783 54.4509 34.8758 175.5704 139 R 4.9672 8.5927 120.6809 54.4162 34.3795 174.4679 140 A 5.1720 8.9133 121.3557 50.1643 23.0380 174.8121 141 L 4.8848 9.1254 123.2249 53.2253 45.0888 175.1044 142 I 4.7493 8.9201 127.8043 59.7206 39.4233 174.8086 143 V 4.5862 8.6977 128.9659 61.6030 33.0233 174.5179 144 T 5.7852 8.7372 122.2333 59.4626 71.2888 172.3237 145 S 5.2953 8.4873 119.0604 56.6755 66.0200 172.7473 146 R 4.9330 9.1095 124.2994 54.5969 33.3016 175.8696 147 G 3.6048 9.0286 111.3082 47.7134 0.0000 173.9335 148 G 4.3145 7.8442 109.1784 44.3121 0.0000 171.5447 149 H 5.2712 8.2888 113.7365 55.0121 31.9320 173.1877 150 G 3.7095 9.1192 105.7970 45.9540 0.0000 174.8516 151 F 4.5168 8.3992 117.1151 57.6987 39.4923 176.2699 152 G 4.0309 7.7199 110.6264 43.2383 0.0000 171.1082 153 P 4.4374 0.0000 0.0000 64.0689 31.4648 177.4853 154 G 3.8986 9.2706 110.4352 45.6705 0.0000 174.1376 155 G 3.8093 7.9971 109.3790 44.6184 0.0000 174.7960 156 E 3.8581 8.7422 121.1441 58.8674 29.9848 177.8425 157 N 4.8117 7.8169 114.7841 52.8893 39.1911 176.7857 158 Q 3.9964 7.8430 122.8860 59.3205 29.1190 178.5098 159 A 4.1818 7.8771 118.4557 54.4859 18.6103 177.8492 160 M 4.1154 7.7690 113.9197 56.4414 32.3792 176.0460 161 N 4.6259 7.9649 118.2285 53.7297 38.5195 173.7378 162 H 4.9532 8.9016 122.6704 55.4387 29.9308 174.6667 163 A 4.3881 8.1580 123.8692 53.8907 19.1429 179.9292 164 D 4.4566 8.4324 117.6657 54.9569 39.9929 177.1934 165 P 4.3307 0.0000 0.0000 64.8838 31.3685 178.3179 166 W 4.1898 8.2574 127.1251 60.2686 30.6797 177.9594 167 L 2.9750 7.9098 119.0485 57.2774 40.8710 179.6628 168 R 3.8032 7.6612 117.5228 59.5173 29.9031 179.0734 169 T 3.7784 7.3921 114.9435 66.7011 68.1946 176.5628 170 A 3.8375 7.4002 122.4453 55.0066 18.3809 179.6972 171 L 4.0533 8.0976 118.1028 57.8443 41.6173 180.0136 172 G 3.6264 8.3801 106.0520 47.6323 0.0000 175.5238 173 F 4.2480 7.8719 122.2754 60.0638 39.6775 176.1447 174 I 4.4056 7.1743 111.1067 59.9604 37.8537 176.3204 175 G 4.0029 7.2034 106.6751 46.2943 0.0000 174.8749 176 I 4.1000 7.6445 121.7718 60.1059 35.7079 175.0000 177 D 4.6826 8.3074 122.0821 52.7121 40.4273 176.5860 178 E 4.4523 7.8848 120.9272 55.3228 30.4849 174.9856 179 V 4.8176 8.1594 124.0222 61.2928 34.7557 174.4413 180 T 4.6373 8.8104 124.2892 61.6859 71.3433 173.1602 181 V 4.7106 8.3909 125.6583 61.0872 33.7313 174.6067 182 V 4.4124 8.8435 128.2515 61.1211 33.4984 173.9668 183 A 5.3750 8.7321 128.9916 50.0034 22.0014 174.8253 184 A 4.6168 8.6905 122.0929 50.4153 21.8814 175.5575 185 E 5.3825 8.6472 122.8970 54.4644 32.9504 178.2165 186 G 3.7193 8.9810 112.4440 47.7571 0.0000 174.9520 *193 S 4.3564 8.6509 119.8726 57.2951 63.7079 174.1382 194 F 4.4183 8.0665 121.6402 61.0247 39.2108 176.8642 195 E 3.8785 8.2232 118.6898 58.9188 29.3489 178.4681 196 D 4.2553 7.8117 118.7743 57.4224 41.1345 178.3365 197 S 4.0659 7.6456 113.3171 61.5649 62.2234 176.0804 198 C 3.9634 7.8609 119.5133 62.6205 27.8547 175.5206 199 D 4.2857 8.2455 119.8405 57.0446 40.7315 178.1720 200 E 3.8732 8.5379 119.4385 59.4428 29.5645 179.0428 201 A 3.9757 7.9809 120.7054 55.2916 18.4114 179.3214 202 E 3.9418 8.3907 117.8107 59.4332 29.7113 179.1199 203 Q 4.0265 8.0622 118.3817 58.7942 28.7705 178.4731 204 R 3.9473 8.2176 119.9051 59.3539 30.0250 178.6520 205 L 4.2121 8.0227 118.9169 57.6177 41.5395 179.2650 206 L 3.9844 8.0109 118.7376 57.7595 41.3534 179.3998 207 A 4.0300 7.7514 119.3367 55.3587 18.1674 179.5066 208 L 4.1896 8.1122 117.1838 57.7432 41.4353 179.6083 209 A 4.0093 8.2058 120.5218 54.8048 18.3824 178.9698 210 R 4.1235 7.6923 115.3000 57.5384 30.3292 176.7571 211 S 4.6164 7.6867 109.3164 58.2206 64.1805 173.8963 212 A 4.4032 8.1423 129.1242 52.6410 18.9983 177.1038 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 2 S 8.33 4.67 0.00 3.99 4.04 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 3 R 12.00 4.40 0.00 1.88 1.86 0.00 3.11 0.00 0.00 3.30 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.83 0.00 4 I 8.96 4.92 1.79 0.00 0.00 0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.61 0.84 0.00 0.00 5 L 8.87 5.05 0.00 1.75 1.51 0.93 1.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 6 A 9.07 4.94 1.09 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 0.00 0.00 7 V 8.60 4.33 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 0.20 0.00 0.00 0.04 0.00 0.00 8 H 8.75 5.60 0.00 3.25 3.10 0.00 5.65 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 9 A 8.88 4.54 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 10 S 7.83 4.14 0.00 3.78 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 11 P 0.00 4.55 0.00 2.28 2.30 0.00 3.34 0.00 0.00 3.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.14 0.00 12 R 7.71 4.43 0.00 1.87 1.91 0.00 3.16 0.00 0.00 3.26 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.63 0.00 13 G 8.77 3.75 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 0.00 0.00 0.00 14 E 9.67 3.88 0.00 1.97 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 2.32 2.31 0.00 15 R 7.79 4.20 0.00 1.81 1.98 0.00 3.21 0.00 0.00 3.16 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.62 0.00 16 S 8.17 4.31 0.00 3.90 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 Q 8.74 4.09 0.00 2.24 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.02 6.67 0.00 0.00 0.00 0.00 0.00 2.61 2.73 0.00 18 S 8.02 4.12 0.00 4.22 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 19 R 8.06 3.83 0.00 1.85 1.90 0.00 3.16 0.00 0.00 2.97 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.28 0.00 20 R 7.86 3.87 0.00 2.09 2.06 0.00 3.16 0.00 0.00 3.18 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.68 0.00 21 L 8.13 4.02 0.00 1.73 1.70 0.89 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 22 A 7.81 4.11 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 23 E 8.39 4.07 0.00 2.18 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 2.49 2.44 0.00 24 V 7.83 3.60 2.36 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 1.04 0.00 0.00 1.00 0.00 0.00 25 F 8.10 4.12 0.00 3.16 3.22 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 26 L 8.26 4.00 0.00 1.82 1.75 1.03 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 27 A 8.27 3.92 1.32 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 0.00 0.00 28 A 7.82 3.88 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 29 Y 7.99 3.80 0.00 2.53 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 30 R 7.78 4.05 0.00 2.17 1.99 0.00 3.25 0.00 0.00 3.25 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.74 0.00 31 E 8.09 4.05 0.00 2.07 1.95 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 2.31 2.30 0.00 32 A 7.53 4.05 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 33 H 7.77 4.74 0.00 3.03 3.08 0.00 5.84 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 P 0.00 4.45 0.00 2.14 2.19 0.00 3.46 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 1.96 2.08 0.00 35 Q 7.91 4.29 0.00 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1.93 1.91 1.10 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 86 F 8.80 3.87 0.00 3.14 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 D 8.20 4.70 0.00 2.89 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 88 S 7.29 4.98 0.00 4.10 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 89 D 9.00 4.78 0.00 2.56 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 90 L 7.72 5.11 0.00 1.68 1.38 0.93 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 91 L 8.69 4.97 0.00 1.82 1.63 0.96 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 92 V 8.74 4.64 1.95 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 0.58 0.00 0.00 0.75 0.00 0.00 93 I 8.75 4.87 1.76 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 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8.10 3.62 2.31 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.42 1.01 0.00 0.00 111 D 7.99 4.42 0.00 2.73 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 0.00 112 Q 7.53 4.16 0.00 2.07 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.89 0.00 0.00 0.00 0.00 0.00 2.46 2.50 0.00 113 I 7.02 4.21 1.55 0.00 0.00 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 -0.26 0.07 0.36 0.00 0.00 114 V 7.53 4.06 2.17 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 0.93 0.00 0.00 0.99 0.00 0.00 115 R 9.23 4.65 0.00 1.81 1.68 0.00 3.38 0.00 0.00 3.17 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.70 0.00 116 L 8.03 3.11 0.00 1.35 1.14 1.16 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 117 G 8.72 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 0.00 0.00 0.00 118 V 7.33 4.18 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 0.80 0.00 0.00 0.87 0.00 0.00 119 T 8.16 4.82 4.33 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 1.38 0.00 0.00 120 F 7.61 5.21 0.00 3.00 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 0.00 121 D 9.31 5.00 0.00 2.62 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 0.00 122 F 8.30 5.34 0.00 2.83 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 0.00 123 V 8.86 4.38 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 0.77 0.00 0.00 0.83 0.00 0.00 124 L 8.43 4.63 0.00 1.59 1.66 0.98 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 125 D 8.81 3.41 0.00 2.82 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 *128 V 8.47 3.89 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 0.97 0.00 0.00 0.95 0.00 0.00 129 A 8.72 4.64 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 Q 9.52 4.52 0.00 1.92 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.81 0.00 0.00 0.00 0.00 0.00 2.28 2.30 0.00 131 Y 8.66 5.20 0.00 2.99 2.85 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 0.00 132 R 9.23 4.76 0.00 1.84 1.74 0.00 3.08 0.00 0.00 3.22 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.57 0.00 133 P 0.00 4.77 0.00 2.13 2.08 0.00 3.75 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.94 0.00 134 L 8.46 4.69 0.00 1.72 1.79 0.95 0.95 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 0.00 135 L 7.90 4.36 0.00 1.82 1.40 0.80 0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 136 R 8.08 4.46 0.00 1.70 1.74 0.00 3.25 0.00 0.00 3.22 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.56 0.00 137 G 8.97 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 0.00 138 K 7.70 4.90 0.00 1.56 1.66 0.00 1.52 0.00 0.00 1.57 0.00 0.00 2.43 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.47 1.36 7.81 139 R 8.59 4.97 0.00 1.72 1.76 0.00 3.07 0.00 0.00 3.18 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.53 0.00 140 A 8.91 5.17 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 0.00 141 L 9.13 4.88 0.00 1.44 1.18 0.78 -0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 142 I 8.92 4.75 1.82 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 1.05 0.59 0.87 0.00 0.00 143 V 8.70 4.59 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 0.96 0.00 0.00 0.79 0.00 0.00 144 T 8.74 5.79 4.23 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 1.27 0.00 0.00 145 S 8.49 5.30 0.00 3.96 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 0.00 146 R 9.11 4.93 0.00 1.82 1.85 0.00 3.62 0.00 0.00 3.19 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.61 0.00 147 G 9.03 3.60 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 0.00 0.00 0.00 148 G 7.84 4.31 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 0.00 149 H 8.29 5.27 0.00 3.25 3.27 0.00 5.56 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 150 G 9.12 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 0.00 0.00 0.00 151 F 8.40 4.52 0.00 3.27 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 0.00 152 G 7.72 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 0.00 0.00 0.00 153 P 0.00 4.44 0.00 2.07 2.03 0.00 3.80 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 2.05 2.12 0.00 154 G 9.27 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 0.00 0.00 0.00 155 G 8.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 156 E 8.74 3.86 0.00 1.85 1.84 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 2.23 2.30 0.00 157 N 7.82 4.81 0.00 2.05 2.39 0.00 0.00 6.68 6.59 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 0.00 158 Q 7.84 4.00 0.00 2.25 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.83 0.00 0.00 0.00 0.00 0.00 2.40 2.46 0.00 159 A 7.88 4.18 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 0.00 160 M 7.77 4.12 0.00 1.99 2.58 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.32 0.00 161 N 7.96 4.63 0.00 2.94 2.91 0.00 0.00 6.93 7.91 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 0.00 162 H 8.90 4.95 0.00 3.42 3.25 0.00 5.70 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 163 A 8.16 4.39 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 0.00 164 D 8.43 4.46 0.00 2.89 2.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 165 P 0.00 4.33 0.00 2.25 2.18 0.00 3.79 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.18 0.00 166 W 8.26 4.19 0.00 3.49 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 167 L 7.91 2.98 0.00 1.82 1.51 0.95 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 168 R 7.66 3.80 0.00 1.99 1.92 0.00 3.12 0.00 0.00 3.15 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.64 0.00 169 T 7.39 3.78 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 1.17 0.00 0.00 170 A 7.40 3.84 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 171 L 8.10 4.05 0.00 1.62 1.68 0.88 0.80 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 0.00 172 G 8.38 3.63 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 0.00 0.00 0.00 173 F 7.87 4.25 0.00 2.91 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 0.00 174 I 7.17 4.41 1.96 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.60 1.10 0.00 0.00 175 G 7.20 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 0.00 176 I 7.64 4.10 1.94 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 1.30 0.57 0.88 0.00 0.00 177 D 8.31 4.68 0.00 2.72 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 0.00 178 E 7.88 4.45 0.00 1.93 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 2.33 2.28 0.00 179 V 8.16 4.82 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 0.77 0.00 0.00 0.89 0.00 0.00 180 T 8.81 4.64 4.18 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 1.18 0.00 0.00 181 V 8.39 4.71 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 0.77 0.00 0.00 0.91 0.00 0.00 182 V 8.84 4.41 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.00 0.00 0.89 0.00 0.00 183 A 8.73 5.38 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 0.00 184 A 8.69 4.62 1.11 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 0.00 0.00 185 E 8.65 5.38 0.00 1.98 2.31 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 2.40 2.34 0.00 186 G 8.98 3.72 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 0.00 0.00 0.00 *193 S 8.65 4.36 0.00 3.92 3.93 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 0.00 194 F 8.07 4.42 0.00 3.29 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 0.00 195 E 8.22 3.88 0.00 2.09 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 2.38 2.38 0.00 196 D 7.81 4.26 0.00 2.99 2.68 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 0.00 197 S 7.65 4.07 0.00 3.84 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 198 C 7.86 3.96 0.00 2.96 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 0.00 199 D 8.25 4.29 0.00 2.86 2.62 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 0.00 200 E 8.54 3.87 0.00 2.21 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 2.32 2.31 0.00 201 A 7.98 3.98 1.35 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 0.00 202 E 8.39 3.94 0.00 2.22 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 0.00 2.31 2.36 0.00 203 Q 8.06 4.03 0.00 2.29 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.58 0.00 0.00 0.00 0.00 0.00 2.57 2.50 0.00 204 R 8.22 3.95 0.00 1.93 2.10 0.00 3.16 0.00 0.00 3.18 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.74 0.00 205 L 8.02 4.21 0.00 2.00 1.95 0.99 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 206 L 8.01 3.98 0.00 1.90 1.73 0.93 0.69 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 0.00 207 A 7.75 4.03 1.42 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 0.00 0.00 208 L 8.11 4.19 0.00 2.14 2.01 0.94 0.98 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 0.00 209 A 8.21 4.01 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 0.00 210 R 7.69 4.12 0.00 1.74 2.08 0.00 3.18 0.00 0.00 3.26 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.59 0.00 211 S 7.69 4.62 0.00 4.02 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 0.00 212 A 8.14 4.40 1.48 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 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.