NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 23 G 3.7883 8.3549 109.7160 45.3493 0.0000 174.3368 24 Q 3.9893 8.1070 118.6544 54.0954 31.1155 175.2797 25 R 3.8759 8.2168 120.6483 59.5173 30.6161 179.1946 26 W 4.3039 8.0880 115.4287 59.4153 27.9461 177.8478 27 E 2.9211 6.9907 119.1439 58.5795 28.9227 178.8273 28 L 3.8870 7.6639 118.9925 57.3667 41.6070 179.3969 29 A 3.9631 7.9663 120.8271 55.1809 18.4294 179.4101 30 L 4.1329 8.0221 119.0464 58.3185 42.0283 179.3245 31 G 3.7989 8.4035 106.0459 48.0084 0.0000 175.8877 32 R 4.0535 8.0624 120.2607 58.8558 30.0693 178.8990 33 F 4.1617 8.4064 120.8090 60.9748 39.4516 177.1181 34 W 4.3703 9.3017 128.5077 60.6564 30.6421 177.7968 35 D 4.3575 8.6913 119.2696 57.3936 40.3485 178.1086 36 Y 3.9349 8.0202 120.0626 60.6505 38.8462 177.8689 37 L 3.8712 7.9777 121.2921 57.8851 41.8418 178.9063 38 R 3.5686 7.4323 118.2242 58.7227 30.2492 178.0386 39 W 4.1959 7.9363 127.9946 60.4647 30.6787 177.9729 40 V 2.8594 7.5340 118.1333 65.9581 30.6200 177.5698 41 Q 3.8167 7.6983 118.2589 59.3607 28.7838 178.4193 42 T 3.7909 7.4785 109.7628 62.2284 69.2854 174.0391 43 L 3.2714 7.5714 121.3284 55.2272 40.0096 174.8382 44 S 4.3658 7.1666 112.4034 57.2949 65.6939 173.5377 45 E 3.8584 8.6457 120.8803 60.0330 29.1071 179.6971 46 Q 3.9955 8.0382 118.5782 58.9571 29.1709 178.1697 47 V 2.8061 7.0610 118.3848 65.8169 31.2523 177.9125 48 Q 3.9427 8.0532 116.6353 59.0120 28.6741 178.4344 49 E 4.1261 8.2782 119.4491 59.8002 29.5428 179.3361 50 E 4.1853 8.2754 117.2894 58.4143 29.3055 179.0597 51 L 4.1806 7.6187 118.9215 56.9708 41.9461 178.2417 52 L 4.3523 7.6522 117.0380 55.4470 42.1590 176.3622 53 S 4.7762 7.7658 113.5917 57.0473 65.6529 174.4338 54 S 4.7029 8.2953 113.6487 58.6202 62.8538 175.3442 55 Q 3.9801 8.4048 125.9401 59.6928 28.8086 178.5277 56 V 4.3345 7.9478 120.6636 66.0034 31.6823 178.1909 57 T 3.9808 7.9366 108.9835 64.7710 68.8039 176.4384 58 Q 4.0051 8.3297 121.1133 58.8872 28.8999 178.3235 59 E 3.9700 8.5734 119.8906 59.0482 29.3737 179.3551 60 L 3.8055 7.9254 119.3978 57.4173 41.5758 179.3658 61 R 3.9314 8.0777 118.6681 59.2437 30.0491 178.4228 62 A 3.9948 7.8968 120.2573 55.2722 18.3984 179.6743 63 L 4.0461 7.8250 117.0472 58.0013 41.6261 179.4925 64 M 3.8985 8.4924 118.3926 58.6585 32.1329 177.9820 65 D 4.3441 8.4308 119.4282 57.4117 40.9600 178.4334 66 E 3.9485 8.3081 119.7325 59.4981 29.5785 179.0121 67 T 3.9663 7.9714 115.7672 67.0928 68.5652 176.6361 68 M 4.0312 8.2205 120.6443 58.0482 31.9714 178.7769 69 K 3.9334 8.3451 120.1211 59.7098 32.3502 178.8428 70 E 4.0962 8.4975 118.9648 59.0799 29.3549 179.0549 71 L 3.7441 8.1064 120.6951 58.0364 42.1329 179.2670 72 K 3.9098 8.2159 118.2206 59.3422 31.9846 179.2306 73 A 4.0195 7.9787 120.9609 55.2146 18.2234 179.0256 74 Y 4.2051 8.3775 118.3277 60.8167 38.9197 178.1611 75 K 3.6520 8.0148 120.4976 59.5118 32.0308 178.5364 76 S 4.0738 7.8880 112.1637 61.6042 62.5916 175.7772 77 E 4.1337 8.3792 121.1693 59.1558 29.2174 179.2411 78 L 3.9363 8.0160 119.6169 57.5432 41.4357 178.6492 79 E 4.1470 7.9462 115.6436 57.5688 29.4057 177.9023 80 E 4.3561 7.8055 118.4982 56.9646 30.8961 176.1899 81 Q 4.5567 7.8433 117.8245 54.5822 29.8353 175.0581 82 L 4.2727 7.4660 117.0579 54.1911 44.4608 176.4737 83 T 3.5104 8.5810 119.7879 65.4165 67.2545 176.2567 *86 A 4.1419 8.6613 134.4320 52.3814 20.9060 177.7093 87 E 3.8771 8.7479 116.3524 59.8456 29.5657 178.6822 88 E 3.9083 8.2521 118.6560 59.8597 29.4732 178.8888 89 T 3.8842 7.8057 115.0550 66.5136 68.6319 176.5391 90 R 3.8655 8.0740 120.4667 59.4802 29.7295 178.5163 91 A 4.0651 8.3891 120.7963 54.8009 18.1991 179.6852 92 R 3.8870 7.8746 117.5466 59.5974 30.1930 178.7051 93 L 4.0281 8.3337 119.2296 57.7963 41.6036 179.4477 94 S 3.9979 8.3872 113.2693 60.9423 62.2949 176.0529 95 K 3.9869 7.8050 122.0690 59.1903 31.9784 178.7479 96 E 3.9578 8.4266 119.2894 59.0905 29.3075 179.0701 97 L 3.7699 7.9979 120.5600 58.2250 42.2320 178.9654 98 Q 3.8580 7.9787 117.7700 58.8648 28.5319 178.9201 99 A 3.9331 7.9471 121.6157 55.0216 18.5744 179.5322 100 A 3.8939 7.8822 119.3171 55.3131 18.4031 179.8449 101 Q 3.7873 8.1652 116.4299 58.9514 28.7568 178.9576 102 A 3.9180 7.7525 121.4759 55.1511 18.4599 179.6543 103 R 3.8409 8.0348 116.6738 59.4689 30.1761 178.9988 104 L 4.0267 7.8303 119.6042 58.1253 42.1064 179.2311 105 G 3.5334 8.0344 105.4428 47.7258 0.0000 175.5213 106 A 4.0326 8.4668 123.6598 54.8389 17.9846 179.3793 107 D 4.3395 8.5442 117.7220 58.0547 41.0650 179.0782 108 M 4.3117 8.1399 118.9629 58.4844 31.7862 178.7712 109 E 4.0906 8.2497 118.8851 59.3396 29.5762 179.0247 110 D 4.4042 8.3829 119.3840 57.1456 40.8665 178.9602 111 V 3.5897 7.8695 118.6560 66.1197 31.6142 178.0723 112 R 4.0939 8.0617 117.7804 59.4787 29.9116 179.2525 113 G 3.6443 8.5188 105.6584 47.8983 0.0000 175.7106 114 R 3.9146 8.2588 121.1870 59.1001 30.0552 178.6275 115 L 4.1212 8.1119 118.9722 57.4854 41.5809 179.5363 116 V 3.6510 7.9927 118.5880 65.8241 31.4210 177.8748 117 Q 3.9507 8.3693 119.5957 59.2262 28.9261 177.3913 118 Y 4.0775 8.0791 120.5487 60.9496 38.4522 178.0338 119 R 3.8467 8.1300 119.5092 59.6312 30.0577 178.6650 120 G 3.5567 7.8404 104.8987 47.7393 0.0000 175.6656 121 E 3.9548 8.0342 120.1845 59.0351 29.8322 179.2727 122 V 3.5407 7.4448 118.4121 65.9926 31.5288 178.1485 123 Q 3.9548 7.7190 117.2345 58.8629 28.3028 178.6246 124 A 4.0556 7.6843 120.8467 55.0551 18.7085 179.1130 125 M 4.0798 7.9032 116.2672 55.7335 32.2419 176.3177 126 L 3.4441 8.8144 118.3598 55.6880 39.8362 175.5594 127 G 3.9644 8.3066 106.2224 45.2883 0.0000 174.2907 128 Q 4.1557 7.2762 117.9915 55.2278 29.3157 176.0893 129 S 4.1310 8.5082 114.4756 59.4898 62.8142 174.6141 130 T 4.5307 8.3434 116.0490 61.5040 68.9564 175.7318 131 E 3.9038 7.8790 123.8349 60.2094 29.6222 178.9120 132 E 4.0178 8.1426 117.8155 59.3527 29.5557 179.2041 133 L 4.0864 7.9255 118.6502 57.9257 41.6610 179.6086 134 R 3.9663 8.4068 118.2079 58.8936 30.0850 179.2391 135 V 3.5565 7.7243 118.3887 65.9382 31.4429 178.4008 136 R 3.9141 7.9908 117.8262 59.1317 29.9821 178.6437 137 L 3.8973 8.0723 119.9324 58.1054 42.0384 178.7401 138 A 3.8711 8.1474 120.8781 55.3416 18.1580 179.6249 139 S 4.0284 7.9101 111.0757 61.6901 62.4144 175.8596 140 H 4.2315 8.5006 121.1927 59.3064 29.6145 177.1352 141 L 3.9318 8.4122 121.2310 57.7845 41.3826 179.4559 142 R 3.9646 7.8222 118.1013 59.5256 30.0058 178.8243 143 K 4.0770 7.8835 118.2643 59.4374 32.0518 179.4563 144 L 4.1235 8.2840 119.4985 57.8547 41.5250 179.7518 145 R 4.3062 8.6124 118.4880 58.8238 29.9729 179.2545 146 K 4.1270 8.1024 118.7466 59.5426 32.0870 179.2993 147 R 3.9494 8.1097 119.0414 59.3332 29.9974 178.3117 148 L 4.3014 8.0271 121.6156 57.5507 42.0919 178.7624 149 L 3.6076 8.1563 120.4428 57.8223 41.9914 178.7682 150 R 3.8632 8.1081 118.7266 59.7688 29.9792 178.3168 151 D 4.4021 8.3790 118.3256 57.0300 40.7187 178.6537 152 A 4.0849 8.0924 121.6364 55.0171 18.3187 179.1978 153 D 4.2179 8.2493 116.7214 57.4298 41.3287 177.9143 154 D 4.2977 8.0422 118.5548 57.3339 41.2744 177.9060 155 L 3.8965 8.2772 121.2094 58.2326 42.0494 178.7482 156 Q 4.2531 8.5107 119.6375 59.2933 28.6770 178.3444 157 K 4.0555 8.3422 119.5983 59.5274 32.1572 179.5889 158 R 4.2186 8.0263 118.5049 59.0928 29.7701 179.0224 159 L 4.0853 7.9587 117.9643 57.5140 41.6880 178.7805 160 A 4.2359 8.1094 120.5108 54.9491 18.2788 179.5439 161 V 3.8952 7.1619 116.8513 64.5469 32.2095 176.2404 162 Y 4.2179 7.7904 123.1124 57.5827 38.7774 175.3708 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 23 G 8.35 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 Q 8.11 3.99 0.00 1.62 1.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.33 6.70 0.00 0.00 0.00 0.00 0.00 2.23 2.38 0.00 25 R 8.22 3.88 0.00 1.87 2.02 0.00 3.16 0.00 0.00 3.44 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.70 0.00 26 W 8.09 4.30 0.00 3.56 3.27 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 27 E 6.99 2.92 0.00 1.71 1.49 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 1.47 1.47 0.00 28 L 7.66 3.89 0.00 1.79 1.66 0.87 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 29 A 7.97 3.96 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 30 L 8.02 4.13 0.00 1.85 1.62 1.00 0.91 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 31 G 8.40 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 R 8.06 4.05 0.00 2.16 2.06 0.00 3.16 0.00 0.00 3.11 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.86 0.00 33 F 8.41 4.16 0.00 3.20 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 34 W 9.30 4.37 0.00 3.63 3.33 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 35 D 8.69 4.36 0.00 2.94 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 36 Y 8.02 3.93 0.00 3.14 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 37 L 7.98 3.87 0.00 1.51 1.41 0.80 0.81 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 38 R 7.43 3.57 0.00 1.49 1.96 0.00 3.26 0.00 0.00 3.12 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.50 0.00 39 W 7.94 4.20 0.00 3.22 3.14 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 40 V 7.53 2.86 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.00 0.00 0.79 0.00 0.00 41 Q 7.70 3.82 0.00 1.87 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.78 0.00 0.00 0.00 0.00 0.00 2.25 2.29 0.00 42 T 7.48 3.79 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 1.22 0.00 0.00 43 L 7.57 3.27 0.00 1.56 1.55 0.71 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 44 S 7.17 4.37 0.00 3.99 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 45 E 8.65 3.86 0.00 1.99 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 2.39 2.33 0.00 46 Q 8.04 4.00 0.00 2.27 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.91 0.00 0.00 0.00 0.00 0.00 2.66 2.93 0.00 47 V 7.06 2.81 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 0.50 0.00 0.00 -0.65 0.00 0.00 48 Q 8.05 3.94 0.00 2.17 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.68 0.00 0.00 0.00 0.00 0.00 2.33 2.62 0.00 49 E 8.28 4.13 0.00 2.20 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.53 0.00 50 E 8.28 4.19 0.00 2.11 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 2.53 2.70 0.00 51 L 7.62 4.18 0.00 1.92 1.89 0.60 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 52 L 7.65 4.35 0.00 1.61 1.71 0.91 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 53 S 7.77 4.78 0.00 3.99 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 54 S 8.30 4.70 0.00 4.09 4.13 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 55 Q 8.40 3.98 0.00 2.19 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.85 0.00 0.00 0.00 0.00 0.00 2.51 2.45 0.00 56 V 7.95 4.33 2.16 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 1.33 0.00 0.00 1.04 0.00 0.00 57 T 7.94 3.98 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 1.31 0.00 0.00 58 Q 8.33 4.01 0.00 2.33 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.84 0.00 0.00 0.00 0.00 0.00 2.58 2.56 0.00 59 E 8.57 3.97 0.00 2.03 1.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.42 0.00 60 L 7.93 3.81 0.00 1.92 1.79 0.95 0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 61 R 8.08 3.93 0.00 2.02 2.11 0.00 3.23 0.00 0.00 3.19 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.67 0.00 62 A 7.90 3.99 1.37 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 0.00 0.00 0.00 63 L 7.82 4.05 0.00 2.08 1.96 0.62 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 64 M 8.49 3.90 0.00 2.32 2.05 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.54 0.00 65 D 8.43 4.34 0.00 2.94 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 66 E 8.31 3.95 0.00 2.19 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 2.35 2.38 0.00 67 T 7.97 3.97 4.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 68 M 8.22 4.03 0.00 1.99 2.09 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.83 0.00 69 K 8.35 3.93 0.00 1.82 2.14 0.00 1.65 0.00 0.00 1.66 0.00 0.00 2.95 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.47 1.51 7.81 70 E 8.50 4.10 0.00 2.30 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 2.59 2.53 0.00 71 L 8.11 3.74 0.00 1.92 1.48 0.58 -0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 72 K 8.22 3.91 0.00 1.98 1.82 0.00 1.70 0.00 0.00 1.63 0.00 0.00 2.91 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.41 1.39 7.81 73 A 7.98 4.02 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.38 4.21 0.00 3.18 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 75 K 8.01 3.65 0.00 1.78 1.84 0.00 1.34 0.00 0.00 1.53 0.00 0.00 2.80 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.47 1.18 7.81 76 S 7.89 4.07 0.00 3.97 4.08 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 77 E 8.38 4.13 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 2.35 2.51 0.00 78 L 8.02 3.94 0.00 1.77 1.68 0.65 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.59 0.00 0.00 0.00 0.00 0.00 0.00 79 E 7.95 4.15 0.00 2.14 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 0.00 2.41 2.54 0.00 80 E 7.81 4.36 0.00 2.14 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 2.45 2.47 0.00 81 Q 7.84 4.56 0.00 1.95 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.85 0.00 0.00 0.00 0.00 0.00 2.26 2.29 0.00 82 L 7.47 4.27 0.00 1.49 1.37 0.73 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 83 T 8.58 3.51 4.17 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 1.17 0.00 0.00 *86 A 8.66 4.14 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 87 E 8.75 3.88 0.00 2.08 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 2.37 2.43 0.00 88 E 8.25 3.91 0.00 2.11 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 2.38 2.48 0.00 89 T 7.81 3.88 4.40 0.00 0.00 0.00 0.00 0.00 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 90 R 8.07 3.87 0.00 1.91 2.08 0.00 3.08 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 1.70 0.00 91 A 8.39 4.07 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 92 R 7.87 3.89 0.00 1.93 2.18 0.00 3.21 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.67 0.00 93 L 8.33 4.03 0.00 1.89 1.95 0.96 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 94 S 8.39 4.00 0.00 4.09 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 95 K 7.81 3.99 0.00 1.86 1.99 0.00 1.67 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.41 1.45 7.81 96 E 8.43 3.96 0.00 2.22 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 2.39 0.00 97 L 8.00 3.77 0.00 1.50 1.49 0.67 -0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 98 Q 7.98 3.86 0.00 2.26 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.59 0.00 0.00 0.00 0.00 0.00 2.29 2.53 0.00 99 A 7.95 3.93 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 0.00 100 A 7.88 3.89 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 101 Q 8.17 3.79 0.00 2.17 2.04 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 2.14 2.15 0.00 102 A 7.75 3.92 1.37 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 0.00 0.00 0.00 103 R 8.03 3.84 0.00 2.01 2.16 0.00 3.13 0.00 0.00 3.09 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.84 0.00 104 L 7.83 4.03 0.00 1.76 1.75 0.95 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 105 G 8.03 3.53 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 0.00 106 A 8.47 4.03 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 D 8.54 4.34 0.00 2.87 2.81 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 0.00 108 M 8.14 4.31 0.00 1.77 2.07 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.03 0.00 109 E 8.25 4.09 0.00 2.26 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 0.00 2.34 2.50 0.00 110 D 8.38 4.40 0.00 2.93 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 0.00 111 V 7.87 3.59 2.45 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 1.09 0.00 0.00 1.15 0.00 0.00 112 R 8.06 4.09 0.00 2.19 2.04 0.00 3.36 0.00 0.00 3.25 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.99 0.00 113 G 8.52 3.64 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 0.00 114 R 8.26 3.91 0.00 1.98 2.06 0.00 3.15 0.00 0.00 3.07 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.65 0.00 115 L 8.11 4.12 0.00 1.94 1.73 0.91 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 116 V 7.99 3.65 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 1.02 0.00 0.00 1.03 0.00 0.00 117 Q 8.37 3.95 0.00 2.26 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.53 0.00 0.00 0.00 0.00 0.00 2.39 2.39 0.00 118 Y 8.08 4.08 0.00 3.10 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 0.00 119 R 8.13 3.85 0.00 2.14 2.17 0.00 3.34 0.00 0.00 3.37 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.64 0.00 120 G 7.84 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 E 8.03 3.95 0.00 1.92 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 2.52 0.00 122 V 7.44 3.54 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 0.90 0.00 0.00 0.25 0.00 0.00 123 Q 7.72 3.95 0.00 2.25 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.57 0.00 0.00 0.00 0.00 0.00 2.47 2.48 0.00 124 A 7.68 4.06 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 0.00 125 M 7.90 4.08 0.00 2.04 2.25 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.88 0.00 126 L 8.81 3.44 0.00 1.76 1.70 0.91 0.99 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 0.00 127 G 8.31 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 0.00 0.00 0.00 128 Q 7.28 4.16 0.00 2.12 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.72 0.00 0.00 0.00 0.00 0.00 2.38 2.41 0.00 129 S 8.51 4.13 0.00 3.82 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 0.00 130 T 8.34 4.53 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 1.20 0.00 0.00 131 E 7.88 3.90 0.00 2.06 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 0.00 2.31 2.41 0.00 132 E 8.14 4.02 0.00 2.02 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 2.40 2.35 0.00 133 L 7.93 4.09 0.00 1.94 1.90 0.82 1.01 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 0.00 134 R 8.41 3.97 0.00 2.10 1.92 0.00 3.10 0.00 0.00 3.21 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.93 0.00 135 V 7.72 3.56 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 1.03 0.00 0.00 0.95 0.00 0.00 136 R 7.99 3.91 0.00 1.93 1.98 0.00 3.36 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 2.01 1.81 0.00 137 L 8.07 3.90 0.00 1.73 1.65 0.82 0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 138 A 8.15 3.87 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 0.00 139 S 7.91 4.03 0.00 4.04 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 0.00 140 H 8.50 4.23 0.00 3.34 3.24 0.00 5.67 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 0.00 141 L 8.41 3.93 0.00 1.83 1.75 0.75 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 142 R 7.82 3.96 0.00 2.03 2.09 0.00 3.10 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 1.65 1.69 0.00 143 K 7.88 4.08 0.00 2.03 1.89 0.00 1.72 0.00 0.00 1.65 0.00 0.00 2.96 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.48 1.50 7.81 144 L 8.28 4.12 0.00 1.87 1.78 0.80 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 145 R 8.61 4.31 0.00 2.07 2.04 0.00 2.92 0.00 0.00 3.27 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.76 0.00 146 K 8.10 4.13 0.00 2.10 1.92 0.00 1.71 0.00 0.00 1.62 0.00 0.00 2.92 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.54 1.64 7.81 147 R 8.11 3.95 0.00 1.95 2.15 0.00 3.13 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 1.78 1.78 0.00 148 L 8.03 4.30 0.00 2.03 2.17 0.98 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 149 L 8.16 3.61 0.00 1.77 1.75 0.02 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 150 R 8.11 3.86 0.00 1.98 2.21 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 1.64 1.69 0.00 151 D 8.38 4.40 0.00 2.83 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 0.00 152 A 8.09 4.08 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 0.00 153 D 8.25 4.22 0.00 2.81 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 0.00 154 D 8.04 4.30 0.00 2.85 2.81 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 0.00 155 L 8.28 3.90 0.00 1.77 1.93 0.68 0.18 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 0.00 156 Q 8.51 4.25 0.00 2.40 2.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.57 0.00 0.00 0.00 0.00 0.00 2.44 2.54 0.00 157 K 8.34 4.06 0.00 2.12 1.87 0.00 1.97 0.00 0.00 1.66 0.00 0.00 2.95 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.48 1.51 7.81 158 R 8.03 4.22 0.00 2.00 1.92 0.00 3.07 0.00 0.00 3.13 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.86 0.00 159 L 7.96 4.09 0.00 1.96 1.96 0.72 0.56 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 0.00 160 A 8.11 4.24 1.43 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 0.00 0.00 161 V 7.16 3.90 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 0.88 0.00 0.00 0.99 0.00 0.00 162 Y 7.79 4.22 0.00 3.12 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 * Residues marked with a * may have inaccurate shift predictions.