NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 39 T 4.2957 8.1749 115.2420 62.2116 69.3097 174.4102 40 H 4.4077 7.8858 116.8079 55.2580 29.8116 174.0729 41 D 4.8891 8.4218 121.1723 54.4760 43.4059 174.3815 42 S 5.0351 8.4135 113.0418 57.8140 67.1003 173.4589 43 V 5.0167 8.7368 112.5004 59.8496 35.9858 175.0598 44 T 5.2937 8.5463 113.3906 60.0791 72.6014 173.2718 45 V 4.9504 8.4813 121.1942 60.5581 34.6309 173.6659 46 L 4.5673 9.0810 128.5661 53.5064 43.6869 174.7773 47 L 4.9808 8.4080 126.1598 52.9913 44.3020 174.9627 48 F 5.2208 8.7572 125.8075 56.5269 41.8691 173.7014 49 N 4.8607 9.0771 126.8089 52.0378 38.8012 175.7492 50 S 3.5888 8.5620 123.3602 60.7845 63.7437 177.0626 51 S 4.0921 7.8835 116.6215 61.6551 62.4604 175.6364 52 R 4.1550 8.1001 114.9702 55.6261 31.0200 176.0057 53 R 4.0285 7.4317 117.4374 57.1553 29.1458 175.2215 54 S 5.1519 8.2314 112.8373 57.0624 68.2800 175.3159 55 L 4.6862 8.9450 123.8962 54.3512 43.1318 175.8435 56 V 4.5336 8.3975 123.3358 61.4139 32.9167 174.7545 57 L 4.9454 9.1630 127.0184 53.1902 46.7223 175.0746 58 V 5.0650 8.4965 118.8102 61.5302 34.7798 174.1854 59 K 5.6651 8.9205 121.6994 56.9091 36.0836 174.4610 60 Q 4.6899 8.3308 118.2390 54.9529 31.9809 172.9639 61 F 4.5931 8.8809 122.9866 58.5113 40.4885 174.6463 62 R 4.3062 7.7613 124.1442 53.5210 32.5976 174.2450 63 P 4.2319 0.0000 0.0000 65.8356 31.3266 178.3332 64 A 3.9960 7.8925 118.6688 55.2547 18.5008 179.7401 65 V 3.5143 7.5749 116.2623 65.9336 31.5419 177.5739 66 Y 3.9558 7.8434 119.2574 60.7662 38.6280 177.0986 67 A 4.0287 8.6781 121.9270 55.7872 18.1748 179.6585 68 G 3.6055 8.3351 103.2876 48.0409 0.0000 175.2178 69 E 4.0638 8.0035 120.2875 58.9331 29.2689 179.3360 70 V 3.3665 7.5043 117.8241 65.9863 31.6713 177.4695 71 E 4.1840 8.1002 117.3389 57.4816 30.0798 177.0054 72 R 4.3740 7.2274 117.2246 54.5191 29.6097 175.9333 73 R 4.1012 7.8545 121.5836 55.2792 31.2786 176.1347 *93 L 4.1949 7.9804 118.0047 54.5978 42.5893 175.6570 94 P 4.5559 0.0000 0.0000 63.7522 32.1811 176.5473 95 G 4.1030 7.9359 106.5248 46.1714 0.0000 171.5000 96 S 4.6521 8.6494 112.0383 59.3005 70.0800 175.3849 97 A 4.4767 8.1138 132.5936 50.6327 17.7929 177.4078 98 G 4.2609 8.5409 113.7462 46.7144 0.0000 171.7505 99 V 4.6921 7.9425 120.7370 62.1663 32.5726 175.1970 100 T 4.8515 8.9129 118.5100 59.9536 72.0164 173.1713 101 V 4.8507 8.3718 123.6521 61.9105 33.3961 174.6200 102 E 5.1650 9.1299 126.4091 54.1790 34.1726 175.0121 103 L 4.4853 8.4755 120.8468 54.4944 42.8608 176.8400 104 C 4.3011 8.6832 122.3821 60.4158 32.3397 172.2390 105 A 5.0607 8.9081 126.3898 51.4686 22.5117 175.0753 106 G 4.0224 8.3463 104.8017 45.7032 0.0000 173.2065 107 L 4.7244 8.6119 120.4281 54.4131 43.0477 177.9331 108 V 3.9766 8.2723 122.1649 62.2802 29.8212 174.8777 109 D 4.3339 8.3157 124.2778 55.4506 42.0777 177.0343 110 Q 3.9254 7.9556 121.0847 55.6424 28.9820 174.1282 111 P 4.4220 0.0000 0.0000 63.5319 32.3172 175.8994 112 G 3.8748 8.7585 106.6030 46.4973 0.0000 173.1639 113 L 4.7160 7.6698 118.1430 51.7157 44.8990 177.5029 114 S 4.2789 8.6186 119.1919 58.8301 64.8300 175.6786 115 L 4.0954 8.4762 123.6086 58.0110 41.4885 179.7021 116 E 3.3442 7.9756 116.9308 58.7892 29.5582 178.9094 117 E 3.8798 7.8660 119.5111 59.2654 29.5750 179.1682 118 V 3.5540 7.6711 117.6323 65.7279 31.5686 177.7431 119 A 4.0282 7.9874 120.5564 55.6108 18.2123 179.4036 120 C 4.0978 8.0435 115.0118 62.6809 28.1579 176.2590 121 K 3.9811 8.2317 121.2305 59.7725 31.8663 178.7663 122 E 4.0359 8.4406 118.6138 59.3223 29.3559 179.0866 123 A 4.1319 8.5678 121.3418 54.8580 18.2664 179.6075 124 W 4.2855 8.3469 126.7533 60.8628 30.7277 178.2935 125 E 3.7766 8.7007 117.4066 59.1742 28.9974 178.8238 126 E 4.1693 8.4539 117.4881 58.7213 30.0761 177.4480 127 C 4.4692 8.0356 113.0571 58.8278 29.5113 173.7945 128 G 3.3539 7.7251 107.9568 46.7974 0.0000 172.3555 129 Y 5.0181 8.1099 116.4618 55.9888 40.5679 175.3921 130 H 4.8311 9.2782 124.6899 55.6218 30.4357 174.2845 131 L 4.8918 8.5159 124.4038 52.8178 45.5679 175.6021 132 A 4.6731 8.9339 123.4896 49.5327 21.5623 176.2263 133 P 4.1583 0.0000 0.0000 65.7402 31.4899 178.6942 134 S 4.3721 7.8448 110.4947 60.1466 63.4493 174.9307 135 D 4.4703 8.3658 121.5621 56.7733 40.9209 177.3344 136 L 4.2636 7.1476 116.9652 54.6242 42.2746 176.2322 137 R 4.8179 9.0241 122.3680 54.3362 33.3700 174.3273 138 R 4.2185 9.0005 127.0350 56.8511 30.2106 175.7620 139 V 3.9790 9.0543 127.4379 64.5676 32.5646 175.4164 140 A 4.5599 7.1720 118.6129 51.7687 22.3856 175.1000 141 T 4.8211 8.3455 115.0978 62.1825 72.5554 172.9843 142 Y 4.8984 7.6388 122.0322 56.5273 41.9045 172.7375 143 W 4.9893 9.2752 119.4079 55.3083 31.1703 175.8986 144 S 4.8251 9.2351 117.8184 57.6501 64.8607 174.8646 145 G 4.0190 8.8446 112.3930 46.2730 0.0000 176.2869 146 V 3.1698 6.4798 112.8390 62.8105 27.4848 175.2850 *149 T 4.4277 7.6908 107.5324 60.9355 71.4503 174.9621 150 G 4.2252 7.7148 113.8709 45.4868 0.0000 174.1741 151 S 4.7235 9.1002 119.8903 56.6235 66.8840 172.9889 152 R 3.3455 8.1392 120.3404 56.2679 31.4694 174.7463 153 Q 5.2731 7.5321 122.7679 55.8809 33.1711 172.9675 154 T 4.5894 8.1289 122.1777 61.6951 72.0022 172.2330 155 M 4.8813 8.5705 126.0098 53.8463 34.4460 174.6124 156 F 5.1936 8.7744 124.3338 55.9907 42.5609 173.9267 157 Y 5.3320 9.3396 122.0262 56.5355 42.3765 174.0520 158 T 4.2651 7.6245 117.6026 60.6577 71.4708 171.7364 159 E 4.8780 8.3256 127.1746 55.5308 31.0154 175.3852 160 V 5.0589 9.5279 119.4719 58.7236 36.8001 173.9589 161 T 5.1029 8.2938 110.3892 59.8377 72.3378 174.7278 162 D 4.4083 8.8399 121.0569 57.1424 40.9045 178.9963 163 A 4.0696 7.6449 121.1331 54.5607 18.4489 177.9894 164 Q 4.5795 8.4834 114.2815 55.7528 29.1179 175.7243 165 R 4.3435 7.4614 117.0667 54.2686 31.4434 176.2356 *178 L 4.3236 8.1912 120.3289 54.9334 43.9637 177.5618 179 I 4.6122 7.2028 118.1684 59.3082 35.5194 174.4061 180 E 4.2388 8.4099 125.8717 56.4996 31.4499 176.0967 181 V 4.8133 8.2215 122.5125 59.9063 33.8273 175.0581 182 V 4.4805 9.0506 123.3389 61.3959 34.6261 173.6223 183 H 5.1731 8.8806 124.0059 53.8903 31.1348 173.1200 184 L 4.4765 8.7667 126.2902 52.3187 44.0284 174.0262 185 P 4.7977 0.0000 0.0000 62.4237 32.4979 177.3009 186 L 4.0524 8.7339 125.6657 58.9476 41.3885 180.1743 187 E 4.0982 8.3929 115.9640 61.6618 29.4488 181.0361 188 G 3.9569 7.8922 105.0067 46.4123 0.0000 175.2497 189 A 4.1535 7.7675 123.2036 55.4697 18.2363 179.5411 190 Q 3.9156 8.1091 117.1536 59.3433 29.3382 177.6368 191 A 4.0912 8.2342 121.3656 55.3552 17.9355 179.3736 192 F 4.0348 7.7311 116.6675 61.3797 39.6952 176.7699 193 A 3.9607 8.0602 119.0546 55.6647 18.2460 179.2143 194 D 4.5890 8.3056 115.9506 56.0715 40.8131 176.1902 195 D 4.3213 7.6613 119.8183 53.6689 40.8059 174.7455 196 P 4.3827 0.0000 0.0000 64.4081 31.8141 176.8640 197 D 4.4213 8.5704 118.5723 55.3242 41.0072 176.0495 198 I 4.2986 6.9787 120.5470 58.5107 37.9502 173.6592 199 P 4.3894 0.0000 0.0000 63.1963 32.1846 175.8542 200 K 5.0878 8.2644 121.5374 55.5227 36.5043 175.3592 201 T 4.3043 8.3538 111.8998 60.8177 70.2464 175.7461 202 L 4.0506 8.7103 123.4740 58.3444 41.9835 179.3186 203 G 3.6166 8.0919 105.2743 47.6719 0.0000 175.5737 204 V 3.6838 7.8569 120.6201 65.8795 31.5200 178.2476 205 I 3.7335 7.4580 119.2811 64.5592 37.0203 178.2398 206 F 4.5604 9.3819 122.7140 61.1249 39.1247 177.3059 207 G 3.4344 8.4369 105.8558 47.9057 0.0000 175.9255 208 V 3.7408 8.1560 121.7876 65.2246 31.5025 177.9259 209 S 4.0888 8.1390 113.0382 61.2862 62.2319 175.9139 210 W 3.9976 8.2473 131.0121 60.2916 30.3355 177.6074 211 F 3.8309 8.4771 120.4591 61.4132 38.6859 177.2290 212 L 3.8624 7.7582 117.2807 57.2514 41.3912 179.4942 213 S 4.0906 7.7309 113.6100 61.4416 63.4267 176.1504 214 Q 3.7183 7.2959 120.8856 57.0556 28.9821 177.6586 215 V 3.5378 6.8528 118.4495 64.3295 31.8701 177.7334 216 A 3.5363 6.7337 120.1691 54.3260 18.4748 176.7289 217 P 4.2927 0.0000 0.0000 65.8798 31.6452 177.5683 218 N 4.3823 7.9117 115.3525 55.4853 38.7771 175.5886 219 L 4.0253 7.2682 118.2460 55.3259 42.6905 176.2608 220 D 4.5018 8.6214 122.1195 54.5974 41.2112 175.9305 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 39 T 8.17 4.30 4.22 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 1.09 0.00 0.00 40 H 7.89 4.41 0.00 3.17 3.17 0.00 5.75 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 D 8.42 4.89 0.00 2.61 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 42 S 8.41 5.04 0.00 3.95 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 43 V 8.74 5.02 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 0.93 0.00 0.00 1.07 0.00 0.00 44 T 8.55 5.29 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 1.25 0.00 0.00 45 V 8.48 4.95 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.69 0.00 0.00 0.94 0.00 0.00 46 L 9.08 4.57 0.00 1.79 1.69 0.91 0.78 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 47 L 8.41 4.98 0.00 1.36 1.18 0.55 0.78 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 48 F 8.76 5.22 0.00 2.97 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 49 N 9.08 4.86 0.00 2.68 2.75 0.00 0.00 6.52 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 S 8.56 3.59 0.00 3.90 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 51 S 7.88 4.09 0.00 4.02 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 52 R 8.10 4.15 0.00 1.80 1.97 0.00 3.27 0.00 0.00 3.08 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.74 0.00 53 R 7.43 4.03 0.00 2.10 1.96 0.00 3.14 0.00 0.00 3.26 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.85 0.00 54 S 8.23 5.15 0.00 3.86 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 L 8.94 4.69 0.00 1.47 1.46 0.75 0.23 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 56 V 8.40 4.53 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 0.64 0.00 0.00 0.67 0.00 0.00 57 L 9.16 4.95 0.00 1.48 1.64 0.87 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 58 V 8.50 5.07 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 1.10 0.00 0.00 0.94 0.00 0.00 59 K 8.92 5.67 0.00 2.03 1.88 0.00 1.72 0.00 0.00 1.83 0.00 0.00 2.98 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.35 1.26 7.81 60 Q 8.33 4.69 0.00 2.21 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 7.13 0.00 0.00 0.00 0.00 0.00 2.35 2.39 0.00 61 F 8.88 4.59 0.00 3.04 2.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 R 7.76 4.31 0.00 1.55 1.68 0.00 3.36 0.00 0.00 3.16 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.67 0.00 63 P 0.00 4.23 0.00 2.22 2.32 0.00 3.62 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 2.24 2.52 0.00 64 A 7.89 4.00 1.30 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 65 V 7.57 3.51 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 0.98 0.00 0.00 0.87 0.00 0.00 66 Y 7.84 3.96 0.00 2.86 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 67 A 8.68 4.03 1.40 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 0.00 0.00 0.00 68 G 8.34 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 E 8.00 4.06 0.00 2.01 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 2.36 2.43 0.00 70 V 7.50 3.37 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 0.70 0.00 0.00 0.28 0.00 0.00 71 E 8.10 4.18 0.00 2.09 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 0.00 2.30 2.34 0.00 72 R 7.23 4.37 0.00 1.81 1.83 0.00 3.19 0.00 0.00 3.19 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.69 0.00 73 R 7.85 4.10 0.00 1.76 1.86 0.00 3.26 0.00 0.00 3.42 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.75 0.00 *93 L 7.98 4.19 0.00 1.85 1.82 1.12 1.03 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 94 P 0.00 4.56 0.00 2.06 2.13 0.00 3.71 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.09 0.00 95 G 7.94 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 0.00 0.00 0.00 0.00 96 S 8.65 4.65 0.00 4.00 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 97 A 8.11 4.48 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 98 G 8.54 4.26 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 0.00 0.00 0.00 99 V 7.94 4.69 2.15 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 0.89 0.00 0.00 1.06 0.00 0.00 100 T 8.91 4.85 4.24 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 1.16 0.00 0.00 101 V 8.37 4.85 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 1.16 0.00 0.00 1.13 0.00 0.00 102 E 9.13 5.17 0.00 1.91 1.81 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 2.24 2.29 0.00 103 L 8.48 4.49 0.00 1.57 1.63 1.01 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 104 C 8.68 4.30 0.00 3.01 3.01 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 0.00 105 A 8.91 5.06 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 0.00 106 G 8.35 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 0.00 0.00 0.00 107 L 8.61 4.72 0.00 1.74 1.62 0.95 0.93 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 0.00 108 V 8.27 3.98 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 0.71 0.00 0.00 0.91 0.00 0.00 109 D 8.32 4.33 0.00 2.68 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 0.00 110 Q 7.96 3.93 0.00 1.98 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 7.03 0.00 0.00 0.00 0.00 0.00 2.33 2.41 0.00 111 P 0.00 4.42 0.00 2.21 2.02 0.00 3.89 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.95 0.00 112 G 8.76 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 0.00 0.00 0.00 113 L 7.67 4.72 0.00 1.77 1.53 0.90 0.92 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 0.00 114 S 8.62 4.28 0.00 3.87 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 0.00 115 L 8.48 4.10 0.00 1.93 2.01 0.93 0.80 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 0.00 116 E 7.98 3.34 0.00 1.77 1.30 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 2.20 2.16 0.00 117 E 7.87 3.88 0.00 2.21 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 2.33 2.32 0.00 118 V 7.67 3.55 2.24 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 1.06 0.00 0.00 0.94 0.00 0.00 119 A 7.99 4.03 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 0.00 120 C 8.04 4.10 0.00 3.11 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 0.00 121 K 8.23 3.98 0.00 1.84 2.00 0.00 1.67 0.00 0.00 1.67 0.00 0.00 2.96 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.51 1.57 7.81 122 E 8.44 4.04 0.00 2.19 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 2.54 2.57 0.00 123 A 8.57 4.13 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 0.00 124 W 8.35 4.29 0.00 3.49 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 0.00 125 E 8.70 3.78 0.00 1.97 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 2.47 2.71 0.00 126 E 8.45 4.17 0.00 2.03 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 2.32 2.56 0.00 127 C 8.04 4.47 0.00 3.29 3.20 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 0.00 128 G 7.73 3.35 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 0.00 129 Y 8.11 5.02 0.00 2.86 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 0.00 130 H 9.28 4.83 0.00 3.19 3.33 0.00 5.89 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 131 L 8.52 4.89 0.00 1.45 1.43 0.88 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 132 A 8.93 4.67 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 0.00 133 P 0.00 4.16 0.00 2.10 2.02 0.00 3.52 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 2.05 2.00 0.00 134 S 7.84 4.37 0.00 3.96 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 0.00 135 D 8.37 4.47 0.00 2.70 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 0.00 136 L 7.15 4.26 0.00 1.39 1.34 0.42 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 137 R 9.02 4.82 0.00 1.98 2.12 0.00 3.33 0.00 0.00 3.53 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.72 0.00 138 R 9.00 4.22 0.00 2.00 1.89 0.00 3.16 0.00 0.00 3.09 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.25 0.00 139 V 9.05 3.98 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 -0.49 0.00 0.00 0.40 0.00 0.00 140 A 7.17 4.56 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 0.00 141 T 8.35 4.82 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 0.92 0.00 0.00 142 Y 7.64 4.90 0.00 3.09 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 0.00 143 W 9.28 4.99 0.00 3.37 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 0.00 144 S 9.24 4.83 0.00 3.98 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 0.00 145 G 8.84 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 0.00 0.00 0.00 146 V 6.48 3.17 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 0.81 0.00 0.00 0.97 0.00 0.00 *149 T 7.69 4.43 4.26 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 1.22 0.00 0.00 150 G 7.71 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 0.00 0.00 0.00 0.00 151 S 9.10 4.72 0.00 3.88 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 0.00 152 R 8.14 3.35 0.00 1.10 1.52 0.00 2.26 0.00 0.00 2.92 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.50 0.00 153 Q 7.53 5.27 0.00 1.87 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.53 0.00 0.00 0.00 0.00 0.00 1.74 1.92 0.00 154 T 8.13 4.59 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 0.49 0.00 0.00 155 M 8.57 4.88 0.00 2.06 2.03 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.33 0.00 156 F 8.77 5.19 0.00 3.03 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 0.00 157 Y 9.34 5.33 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 0.00 158 T 7.62 4.27 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 1.03 0.00 0.00 159 E 8.33 4.88 0.00 2.18 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 2.14 2.33 0.00 160 V 9.53 5.06 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 0.58 0.00 0.00 161 T 8.29 5.10 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 1.18 0.00 0.00 162 D 8.84 4.41 0.00 2.83 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 0.00 163 A 7.64 4.07 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 0.00 164 Q 8.48 4.58 0.00 2.44 2.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.96 6.73 0.00 0.00 0.00 0.00 0.00 2.38 2.49 0.00 165 R 7.46 4.34 0.00 1.80 1.63 0.00 2.81 0.00 0.00 2.44 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.54 1.38 0.00 *178 L 8.19 4.32 0.00 1.62 1.73 0.95 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 179 I 7.20 4.61 1.87 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.77 0.92 0.00 0.00 180 E 8.41 4.24 0.00 2.09 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 2.31 2.27 0.00 181 V 8.22 4.81 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 0.78 0.00 0.00 0.99 0.00 0.00 182 V 9.05 4.48 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 0.93 0.00 0.00 183 H 8.88 5.17 0.00 3.01 3.20 0.00 5.89 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 0.00 184 L 8.77 4.48 0.00 1.40 1.35 0.37 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 185 P 0.00 4.80 0.00 2.23 1.98 0.00 3.63 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 2.11 2.12 0.00 186 L 8.73 4.05 0.00 1.76 1.82 1.03 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 187 E 8.39 4.10 0.00 2.06 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 2.24 1.98 0.00 188 G 7.89 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 0.00 189 A 7.77 4.15 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 0.00 190 Q 8.11 3.92 0.00 2.22 2.14 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 2.44 2.66 0.00 191 A 8.23 4.09 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 0.00 192 F 7.73 4.03 0.00 3.09 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 0.00 193 A 8.06 3.96 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 0.00 194 D 8.31 4.59 0.00 2.67 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 0.00 195 D 7.66 4.32 0.00 2.86 2.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 196 P 0.00 4.38 0.00 2.18 2.11 0.00 3.78 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 1.96 1.95 0.00 197 D 8.57 4.42 0.00 2.81 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 0.00 198 I 6.98 4.30 1.64 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.56 0.99 0.00 0.00 199 P 0.00 4.39 0.00 2.06 1.96 0.00 3.62 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 2.12 2.12 0.00 200 K 8.26 5.09 0.00 1.56 1.69 0.00 1.55 0.00 0.00 1.52 0.00 0.00 2.60 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.11 1.41 7.81 201 T 8.35 4.30 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 1.24 0.00 0.00 202 L 8.71 4.05 0.00 1.76 1.70 0.91 0.95 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 0.00 203 G 8.09 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 0.00 204 V 7.86 3.68 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 1.37 0.00 0.00 1.09 0.00 0.00 205 I 7.46 3.73 2.04 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.36 0.96 0.00 0.00 206 F 9.38 4.56 0.00 2.86 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 0.00 207 G 8.44 3.43 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 0.00 208 V 8.16 3.74 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 1.13 0.00 0.00 209 S 8.14 4.09 0.00 4.16 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 0.00 210 W 8.25 4.00 0.00 2.97 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 0.00 211 F 8.48 3.83 0.00 3.28 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 0.00 212 L 7.76 3.86 0.00 1.88 1.64 0.97 0.77 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 0.00 213 S 7.73 4.09 0.00 3.89 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 0.00 214 Q 7.30 3.72 0.00 0.93 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.82 0.00 0.00 0.00 0.00 0.00 1.68 1.80 0.00 215 V 6.85 3.54 0.84 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 0.85 0.00 0.00 0.16 0.00 0.00 216 A 6.73 3.54 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 0.00 217 P 0.00 4.29 0.00 2.07 2.07 0.00 3.28 0.00 0.00 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.91 0.00 218 N 7.91 4.38 0.00 2.66 2.87 0.00 0.00 6.81 7.85 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 0.00 219 L 7.27 4.03 0.00 1.67 1.76 1.23 1.12 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 0.00 220 D 8.62 4.50 0.00 2.71 2.58 0.00 0.00 0.00 0.00 0.00 0.00 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.