NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.5573 8.1233 122.4651 51.7639 20.7969 175.1717 2 K 4.8018 9.6027 121.6427 53.9802 34.3481 170.0757 3 V 4.8338 9.3838 125.7044 60.9754 34.7446 173.4094 4 L 4.6595 8.6632 130.2087 53.1876 44.2475 174.9301 5 V 4.6512 8.7498 127.1033 61.3976 33.2819 173.9585 6 L 5.2071 8.7362 131.2685 53.3499 44.5194 174.7515 7 Y 5.3180 8.3132 122.8207 55.8475 42.1320 172.9223 8 Y 4.8055 8.7139 120.9326 55.7322 41.5351 174.7159 9 S 4.4689 7.4807 119.5973 56.7367 65.2602 173.2169 10 M 3.9093 8.4290 126.8279 57.0889 32.3128 176.5683 11 Y 4.6668 7.8012 111.6064 57.3461 39.6462 176.4030 12 G 3.9850 8.2138 110.0378 45.7873 0.0000 175.8379 13 H 4.2625 8.0728 116.9016 59.1981 28.8349 177.5950 14 I 3.8451 7.7799 121.1054 64.0845 36.8932 177.8234 15 E 3.0415 8.0667 119.8391 59.4342 29.4403 178.9505 16 T 3.7711 7.8906 115.5015 66.8386 68.4682 176.5131 17 M 3.9135 8.2202 120.4379 58.3853 31.9225 178.7119 18 A 3.7944 8.3260 121.1806 55.1965 18.4607 179.9355 19 R 3.7517 8.0370 116.4522 59.0215 30.0185 179.2984 20 A 3.8428 7.6854 120.6571 55.0321 18.4488 179.4964 21 V 3.5216 7.7271 117.0424 66.3854 31.3586 178.1011 22 A 3.9418 8.1241 120.4338 54.9767 17.9287 179.1518 23 E 3.9178 8.1633 117.2954 59.3505 30.1401 178.9986 24 G 3.6965 8.1833 105.4999 47.8058 0.0000 175.4582 25 A 4.1497 8.0792 123.7682 54.7965 18.2084 179.6229 26 S 4.2536 8.1352 111.2081 60.5312 63.2282 176.0951 27 K 4.2062 7.6513 120.9698 56.8293 32.3014 176.7202 28 V 3.9935 7.3424 120.8921 61.1016 32.1715 174.7031 29 D 4.4197 8.6282 127.6127 56.5084 40.7640 176.7574 30 G 3.8795 9.1594 112.6317 44.7567 0.0000 172.2135 31 A 4.7005 7.5566 121.8409 50.6613 20.3693 176.5229 32 E 4.5314 9.3593 124.3271 54.4856 31.6730 174.6190 33 V 4.9246 8.4509 126.9643 61.2571 33.7916 175.0470 34 V 4.6076 8.8038 120.1820 59.5221 35.8551 174.4714 35 V 4.8995 8.4327 123.4162 61.2399 33.5885 174.7684 36 K 4.9835 9.2221 126.3041 54.7401 36.9915 175.2695 37 R 4.3956 8.3655 117.9126 54.1595 32.4321 175.7650 38 V 3.9059 7.6523 114.0114 59.8798 32.4524 174.7432 39 P 4.4237 0.0000 0.0000 62.2947 31.9592 175.9287 40 E 3.9802 8.3504 120.4033 57.9294 30.0495 177.3127 41 T 3.3230 8.2574 120.1083 64.0774 66.3386 171.8515 *55 Q 4.1667 7.6967 119.6747 55.7881 29.8653 175.5596 56 T 4.0185 8.5829 112.0066 64.1870 69.4403 175.1544 57 A 4.2049 7.9274 123.3018 51.3461 19.0698 175.9730 58 P 4.4594 0.0000 0.0000 62.6178 33.0048 175.7742 59 V 4.5305 8.1687 115.1592 60.6267 32.5069 176.1160 60 A 4.7163 8.7282 127.7531 51.8364 19.0396 176.8590 61 T 4.8016 8.9121 109.8717 59.1193 71.5206 174.0700 62 P 4.1382 0.0000 0.0000 65.8476 31.9808 178.5606 63 Q 4.0617 8.4079 116.7115 59.4808 28.2920 178.5682 64 E 4.2350 8.0165 117.8739 58.0391 29.3535 178.7776 65 L 4.2898 8.1361 120.1674 57.7585 41.4284 178.8677 66 A 4.1617 7.8273 119.5024 54.8046 18.3408 178.6277 67 D 4.3354 7.9934 115.7032 54.9360 41.3138 175.8335 68 Y 4.6153 6.9254 116.8993 56.2039 40.5885 175.4900 69 D 4.7459 9.1006 122.2801 56.4424 42.4066 176.3709 70 A 5.1800 7.9301 118.8487 50.3571 23.1644 175.0735 71 I 4.7013 8.9345 121.5792 59.4392 41.1563 174.4755 72 I 4.8488 8.7664 128.0624 59.7205 39.5470 174.4808 73 F 5.0669 9.7054 127.3400 55.9129 41.0536 175.2146 74 G 3.1006 8.9594 111.0770 44.1326 0.0000 171.8523 75 T 5.1107 8.1666 117.9599 59.9587 71.5453 171.4032 76 P 4.8032 0.0000 0.0000 62.9665 33.1754 174.8298 77 T 5.0064 7.8208 117.4855 62.0093 70.4059 174.7728 78 R 4.1675 9.0968 126.0904 55.1833 32.1600 175.4915 79 F 3.7490 9.1359 126.7822 58.7241 36.4387 176.6258 80 G 3.9156 8.4410 104.9314 45.5978 0.0000 171.6744 81 N 5.0230 8.0205 117.7514 51.2356 42.4673 173.1674 82 M 4.5728 8.3615 116.8843 54.4641 32.0327 176.0988 83 S 4.1284 8.4691 114.7738 58.8444 63.6875 175.8632 84 G 3.7066 8.8398 109.0663 48.2832 0.0000 175.9745 85 Q 3.7394 7.5537 119.4825 58.9372 28.6203 178.3445 86 M 4.0600 7.7204 118.8381 58.4983 32.2469 178.2598 87 R 3.8748 8.0078 118.9730 59.6870 30.0636 178.5430 88 T 3.8266 8.0997 114.8328 66.5117 68.8298 175.9339 89 F 4.2066 8.1398 122.2402 61.5309 39.5891 177.2604 90 L 4.0630 8.4968 118.8338 57.8361 41.1432 179.0367 91 D 4.4330 8.5327 118.4957 57.0592 40.7013 177.7270 92 Q 4.5513 7.4704 116.6994 56.1064 29.6984 176.5167 93 T 4.6483 7.4437 109.2454 61.7682 69.5153 176.1148 94 G 3.8261 8.1737 111.4069 48.6144 0.0000 176.3169 95 G 3.6462 8.0838 107.5138 47.5483 0.0000 175.6044 96 L 4.0873 7.9981 121.1481 57.2173 41.7015 179.2358 97 W 4.0677 8.7388 128.3772 60.6163 30.5148 177.9106 98 A 3.7785 8.4338 119.5747 54.4844 17.9041 178.7175 99 S 4.4722 7.8339 109.7050 57.5349 63.8591 174.6480 100 G 3.8076 7.8387 110.6198 46.5801 0.0000 175.9693 101 A 4.0285 8.2865 125.3600 54.3533 18.6002 179.5081 102 L 4.5585 7.8705 113.3154 54.4897 42.4452 175.6750 103 Y 4.3882 7.1743 120.8110 58.4566 38.8988 176.6971 104 G 3.9099 8.2637 115.5149 45.3325 0.0000 173.7414 105 K 4.3543 7.7083 119.5195 55.9020 33.7203 176.3879 106 L 4.7220 8.4297 122.4270 54.7098 43.0002 176.0538 107 A 5.8282 9.1498 124.0467 49.5348 22.8993 174.8456 108 S 5.1165 8.7578 113.5489 57.1525 66.8176 172.7365 109 V 5.3923 8.8194 122.7687 61.2058 35.1210 174.0135 110 F 5.7224 9.2103 121.5566 55.5092 41.8627 173.5035 111 S 5.6326 8.8900 113.4719 57.7016 67.0168 172.5682 112 S 5.2312 8.4343 114.7332 56.7383 65.9937 174.1650 113 T 4.3574 8.5794 117.6449 62.1503 68.9221 173.2713 114 G 4.1058 8.1913 111.5051 43.4219 0.0000 171.6582 115 T 3.8057 8.2197 113.5367 63.5988 67.2958 174.0719 116 G 3.9028 9.1539 115.9834 45.6214 0.0000 174.4495 117 G 3.8632 7.8930 107.6798 47.3968 0.0000 176.0239 118 G 4.0916 8.9278 113.6298 45.3438 0.0000 174.4544 119 Q 3.9601 8.0577 119.8421 59.2355 28.3825 178.4399 120 E 4.0292 8.1017 120.0034 59.1614 29.6468 178.8075 121 Q 3.8429 8.0166 119.1065 59.4505 29.1574 178.1327 122 T 3.8173 8.1224 117.0073 66.7468 68.3938 176.5951 123 I 3.4917 7.4259 121.1356 64.5868 37.2866 178.7437 124 T 2.8922 7.4750 110.6047 64.4325 68.3470 176.7561 125 S 4.1090 8.4161 118.4344 61.6777 62.7579 176.7492 126 T 3.8270 7.8470 118.5096 66.2818 68.1358 176.5636 127 W 4.4613 8.2756 121.2163 60.2840 29.1135 178.5131 128 T 3.9619 7.9320 114.9454 67.0682 68.0498 176.7315 129 T 3.8749 7.6689 117.5130 66.7858 68.5513 176.8757 130 L 4.1238 8.1909 120.6447 57.5768 41.4879 179.3676 131 A 4.0173 8.5999 121.4070 55.4948 18.0513 179.3490 132 H 4.1250 8.0823 113.3600 59.2777 28.9810 176.1697 133 H 4.6504 8.1871 113.9336 55.6841 28.9098 176.1790 134 G 3.6354 8.3958 108.3961 46.3953 0.0000 173.5208 135 M 4.5300 7.6292 118.5059 54.6219 33.0270 176.4191 136 V 3.7801 8.5954 123.0033 62.7068 32.9573 174.6638 137 I 4.6139 8.1042 128.4933 59.7162 38.7952 175.4557 138 V 4.3503 8.5333 121.2531 58.8378 33.1267 174.1353 139 P 5.1667 0.0000 0.0000 61.7575 32.2962 176.1812 140 I 4.3520 8.5617 110.6530 59.9973 39.2379 177.0299 141 G 3.8893 8.0749 110.6237 46.5030 0.0000 173.1986 142 Y 4.5765 8.5568 111.8148 57.2540 37.2732 175.3376 143 A 4.3680 7.4049 117.6893 51.6432 20.4194 176.5373 *156 G 3.7117 7.9009 106.0104 46.9247 0.0000 172.9077 157 T 4.3560 7.6948 115.0633 59.0622 70.7344 172.6934 158 P 4.3416 0.0000 0.0000 63.6666 31.6092 177.7946 159 Y 4.7388 7.6571 118.4083 59.8387 38.0193 175.4449 160 G 4.7144 7.1702 105.6165 45.4736 0.0000 172.7288 161 A 4.5561 8.8818 122.7368 52.2657 19.4366 176.9173 162 T 5.7206 8.2749 109.3220 59.4156 72.7671 172.8853 163 T 4.9241 8.2060 115.3401 60.3904 70.8667 173.6467 164 I 4.0648 8.6718 127.2218 61.1487 38.8468 176.4666 165 A 4.3262 7.2725 128.6043 52.6443 17.4263 179.0460 *172 Q 4.2399 8.5387 115.6747 56.1840 30.0838 173.9004 173 P 4.3943 0.0000 0.0000 63.9225 31.9752 177.0028 174 S 4.5112 8.9914 117.6840 57.7408 65.4026 175.5856 175 Q 3.9916 8.4743 121.1628 58.9457 28.3866 178.7112 176 E 3.8933 8.0936 119.8949 59.4046 29.7696 178.5837 177 E 3.9732 8.2210 118.5349 59.4570 29.4362 179.4248 178 L 3.9637 8.0654 119.0537 57.6931 41.6504 179.3988 179 S 4.1062 8.3452 113.4129 61.4905 62.2293 176.4030 180 I 3.7889 7.8801 122.3372 64.1768 36.8245 178.1875 181 A 3.8971 8.1374 121.7118 55.1904 18.1905 179.8171 182 R 3.9690 8.3029 116.9146 59.5734 30.1261 178.5442 183 Y 3.9814 8.1334 119.2125 60.7451 38.7847 177.9597 184 Q 4.1047 8.4822 120.6466 59.2137 29.1061 178.5811 185 G 3.5316 7.9650 106.7010 47.7444 0.0000 175.3228 186 E 3.9806 8.1489 121.8719 59.0097 29.6414 178.3308 187 Y 4.0562 7.9704 119.9767 60.8405 38.7998 178.3344 188 V 3.2882 7.8190 113.1543 64.1168 31.6397 178.4347 189 A 4.0331 8.2217 120.9021 55.0598 18.1936 179.9004 190 G 3.5413 8.1411 104.2862 47.8179 0.0000 175.7448 191 L 3.8835 7.8003 122.4758 57.7448 42.0623 178.8821 192 A 3.9407 8.1071 120.9844 55.1594 18.3446 179.8390 193 V 3.5575 7.9189 116.8268 65.8683 31.3597 178.2682 194 K 3.9759 7.9435 119.0406 58.9872 32.1697 178.2160 195 L 4.2945 7.9931 118.3313 56.9190 40.8576 177.0407 196 N 4.8355 9.1102 114.8332 55.7717 40.5079 174.6432 197 G 3.4670 7.5312 112.0426 45.0989 0.0000 173.0932 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 1 A 8.12 4.56 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 2 K 9.60 4.80 0.00 1.69 1.80 0.00 1.57 0.00 0.00 1.44 0.00 0.00 2.76 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.51 1.41 7.81 3 V 9.38 4.83 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 0.91 0.00 0.00 0.94 0.00 0.00 4 L 8.66 4.66 0.00 0.27 0.87 0.56 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 5 V 8.75 4.65 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 1.12 0.00 0.00 0.90 0.00 0.00 6 L 8.74 5.21 0.00 1.43 1.05 0.55 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 7 Y 8.31 5.32 0.00 3.11 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 8 Y 8.71 4.81 0.00 2.85 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 9 S 7.48 4.47 0.00 4.00 3.70 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 10 M 8.43 3.91 0.00 1.04 1.42 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.62 0.00 11 Y 7.80 4.67 0.00 2.72 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 12 G 8.21 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 0.00 0.00 0.00 13 H 8.07 4.26 0.00 3.27 3.37 0.00 5.63 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 14 I 7.78 3.85 2.01 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 1.60 0.94 1.05 0.00 0.00 15 E 8.07 3.04 0.00 1.94 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 2.22 2.22 0.00 16 T 7.89 3.77 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 1.18 0.00 0.00 17 M 8.22 3.91 0.00 2.02 2.45 0.00 0.00 0.00 0.00 0.00 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.74 2.87 0.00 18 A 8.33 3.79 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 19 R 8.04 3.75 0.00 1.92 1.92 0.00 3.04 0.00 0.00 3.11 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.62 0.00 20 A 7.69 3.84 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 21 V 7.73 3.52 1.82 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 0.87 0.00 0.00 0.26 0.00 0.00 22 A 8.12 3.94 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 23 E 8.16 3.92 0.00 1.91 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 0.00 2.29 2.35 0.00 24 G 8.18 3.70 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 25 A 8.08 4.15 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 26 S 8.14 4.25 0.00 4.01 4.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 K 7.65 4.21 0.00 1.91 1.90 0.00 1.69 0.00 0.00 1.63 0.00 0.00 2.96 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.46 1.66 7.81 28 V 7.34 3.99 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 1.00 0.00 0.00 0.98 0.00 0.00 29 D 8.63 4.42 0.00 2.70 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 30 G 9.16 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 0.00 0.00 0.00 31 A 7.56 4.70 1.28 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 0.00 0.00 0.00 32 E 9.36 4.53 0.00 2.00 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 2.26 2.24 0.00 33 V 8.45 4.92 2.08 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 0.85 0.00 0.00 0.92 0.00 0.00 34 V 8.80 4.61 2.14 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 0.74 0.00 0.00 0.99 0.00 0.00 35 V 8.43 4.90 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 0.99 0.00 0.00 0.93 0.00 0.00 36 K 9.22 4.98 0.00 1.54 1.60 0.00 1.77 0.00 0.00 1.70 0.00 0.00 2.93 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.33 1.32 7.81 37 R 8.37 4.40 0.00 1.24 0.96 0.00 2.62 0.00 0.00 3.08 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.38 0.00 38 V 7.65 3.91 1.72 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 -0.22 0.00 0.00 0.90 0.00 0.00 39 P 0.00 4.42 0.00 2.21 2.09 0.00 3.90 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.07 0.00 40 E 8.35 3.98 0.00 1.99 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.41 0.00 41 T 8.26 3.32 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 1.19 0.00 0.00 *55 Q 7.70 4.17 0.00 2.09 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 7.12 0.00 0.00 0.00 0.00 0.00 2.47 2.36 0.00 56 T 8.58 4.02 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 57 A 7.93 4.20 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 P 0.00 4.46 0.00 2.09 1.99 0.00 3.82 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 2.13 2.13 0.00 59 V 8.17 4.53 2.08 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 0.65 0.00 0.00 0.95 0.00 0.00 60 A 8.73 4.72 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 61 T 8.91 4.80 4.55 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 0.00 0.00 1.28 0.00 0.00 62 P 0.00 4.14 0.00 2.04 1.75 0.00 3.58 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.19 0.00 63 Q 8.41 4.06 0.00 2.27 2.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 72 I 8.77 4.85 1.99 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 1.28 0.80 1.29 0.00 0.00 73 F 9.71 5.07 0.00 2.89 2.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 G 8.96 3.10 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 75 T 8.17 5.11 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 76 P 0.00 4.80 0.00 2.17 2.02 0.00 3.77 0.00 0.00 4.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.16 0.00 77 T 7.82 5.01 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 1.26 0.00 0.00 78 R 9.10 4.17 0.00 1.79 1.80 0.00 3.40 0.00 0.00 3.23 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 2.01 0.00 79 F 9.14 3.75 0.00 3.21 3.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 G 8.44 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 81 N 8.02 5.02 0.00 2.70 2.65 0.00 0.00 6.93 7.63 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 82 M 8.36 4.57 0.00 2.13 2.04 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.50 0.00 83 S 8.47 4.13 0.00 4.01 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 0.00 84 G 8.84 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 85 Q 7.55 3.74 0.00 0.93 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.86 0.00 0.00 0.00 0.00 0.00 1.31 2.22 0.00 86 M 7.72 4.06 0.00 2.17 2.08 0.00 0.00 0.00 0.00 0.00 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.63 0.00 87 R 8.01 3.87 0.00 2.02 2.01 0.00 3.27 0.00 0.00 3.14 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.69 0.00 88 T 8.10 3.83 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 1.20 0.00 0.00 89 F 8.14 4.21 0.00 3.25 3.25 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 0.00 90 L 8.50 4.06 0.00 1.72 1.71 0.79 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 91 D 8.53 4.43 0.00 2.79 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 92 Q 7.47 4.55 0.00 1.97 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 7.36 0.00 0.00 0.00 0.00 0.00 2.28 2.42 0.00 93 T 7.44 4.65 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 1.18 0.00 0.00 94 G 8.17 3.83 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 0.00 0.00 0.00 95 G 8.08 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 0.00 0.00 0.00 96 L 8.00 4.09 0.00 2.05 1.86 1.01 0.90 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 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0.00 0.00 0.00 0.00 2.56 2.41 0.00 122 T 8.12 3.82 4.39 0.00 0.00 0.00 0.00 0.00 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 0.00 123 I 7.43 3.49 1.77 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 1.56 0.76 0.36 0.00 0.00 124 T 7.48 2.89 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 0.08 0.00 0.00 125 S 8.42 4.11 0.00 3.87 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 0.00 126 T 7.85 3.83 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 1.04 0.00 0.00 127 W 8.28 4.46 0.00 3.50 3.09 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 0.00 128 T 7.93 3.96 4.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 129 T 7.67 3.87 4.32 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 1.18 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 0.66 0.00 0.00 0.88 0.00 0.00 139 P 0.00 5.17 0.00 2.40 2.55 0.00 3.14 0.00 0.00 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 1.82 0.00 140 I 8.56 4.35 2.10 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 1.55 0.87 1.18 0.00 0.00 141 G 8.07 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 0.00 142 Y 8.56 4.58 0.00 2.89 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 0.00 143 A 7.40 4.37 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *156 G 7.90 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 0.00 157 T 7.69 4.36 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 1.16 0.00 0.00 158 P 0.00 4.34 0.00 2.16 1.47 0.00 3.23 0.00 0.00 3.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.76 0.00 159 Y 7.66 4.74 0.00 2.95 2.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 160 G 7.17 4.71 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 0.00 161 A 8.88 4.56 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 0.00 162 T 8.27 5.72 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 1.30 0.00 0.00 163 T 8.21 4.92 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 1.32 0.00 0.00 164 I 8.67 4.06 1.85 0.00 0.00 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 1.21 0.93 0.95 0.00 0.00 165 A 7.27 4.33 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *172 Q 8.54 4.24 0.00 2.17 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.97 6.80 0.00 0.00 0.00 0.00 0.00 2.20 2.27 0.00 173 P 0.00 4.39 0.00 2.06 2.05 0.00 3.71 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.12 0.00 174 S 8.99 4.51 0.00 4.03 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 0.00 175 Q 8.47 3.99 0.00 2.07 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.94 0.00 0.00 0.00 0.00 0.00 2.44 2.35 0.00 176 E 8.09 3.89 0.00 2.02 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.39 0.00 177 E 8.22 3.97 0.00 2.20 2.08 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 2.39 2.34 0.00 178 L 8.07 3.96 0.00 1.82 1.68 0.90 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 179 S 8.35 4.11 0.00 3.87 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 0.00 180 I 7.88 3.79 2.01 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 1.41 0.48 0.93 0.00 0.00 181 A 8.14 3.90 1.21 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 0.00 0.00 182 R 8.30 3.97 0.00 2.02 1.99 0.00 3.12 0.00 0.00 3.07 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.81 0.00 183 Y 8.13 3.98 0.00 3.14 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 0.00 184 Q 8.48 4.10 0.00 2.28 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.58 0.00 0.00 0.00 0.00 0.00 2.44 2.54 0.00 185 G 7.97 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 0.00 186 E 8.15 3.98 0.00 2.08 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.28 0.00 187 Y 7.97 4.06 0.00 2.11 2.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 188 V 7.82 3.29 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 0.74 0.00 0.00 0.89 0.00 0.00 189 A 8.22 4.03 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 8.14 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.80 3.88 0.00 1.55 1.61 0.84 0.75 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 0.00 192 A 8.11 3.94 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 0.00 193 V 7.92 3.56 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 1.01 0.00 0.00 1.00 0.00 0.00 194 K 7.94 3.98 0.00 1.92 1.92 0.00 1.85 0.00 0.00 1.76 0.00 0.00 3.07 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.45 1.44 7.81 195 L 7.99 4.29 0.00 1.83 1.76 0.91 0.84 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 0.00 196 N 9.11 4.84 0.00 2.81 2.86 0.00 0.00 6.99 7.79 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 0.00 197 G 7.53 3.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.