NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 L 4.4688 8.1844 120.6275 54.2115 43.0756 176.0440 1 V 3.6223 8.1063 122.1913 62.7742 32.1414 174.2739 2 K 4.3743 9.0083 126.1689 57.2172 35.3196 175.7330 3 K 5.0582 8.0025 121.3235 54.4680 34.7978 175.1613 4 V 5.0351 8.5618 126.5206 61.0146 35.1903 173.5597 5 L 5.0776 9.0006 129.6386 53.3705 44.2407 174.5182 6 L 5.0221 9.4359 130.0472 53.9937 43.7649 174.8914 7 I 5.1200 8.7719 127.5063 59.6899 39.9539 174.4556 8 N 5.4642 9.3855 124.2231 51.6490 42.0576 174.6744 9 G 4.4239 8.6719 113.0203 43.6726 0.0000 170.9939 10 P 4.4879 0.0000 0.0000 64.4207 31.7586 176.4081 11 N 4.6508 9.2205 118.8830 53.4510 38.1301 176.4432 12 L 4.3388 7.5692 117.4790 56.9674 41.8381 178.9618 13 N 4.3694 8.0841 115.3025 55.5015 37.4642 176.0384 14 L 4.1777 8.3481 118.8624 55.9084 42.2851 176.7698 15 L 4.4057 7.8204 121.0142 55.2018 41.0283 176.4479 16 G 4.1876 8.0007 108.4019 44.1614 0.0000 172.1653 17 T 4.4218 8.5714 115.8962 61.1701 70.4798 176.1736 18 R 4.0338 8.0304 121.7652 58.7979 30.5727 176.4341 *23 Y 4.5500 7.7346 115.5902 56.9968 39.8453 174.5339 24 G 3.7243 7.5111 108.5426 43.8222 0.0000 174.9994 25 T 4.0935 8.0334 105.6182 62.3025 67.4154 174.3314 26 T 4.1994 7.6506 120.8460 63.7236 69.0088 174.6945 27 S 5.5299 8.3352 123.1439 56.0350 66.5471 174.9837 28 L 3.9294 8.1709 122.6318 57.9846 41.7347 178.7269 29 S 4.1673 7.9327 112.8787 61.3327 62.3606 175.2533 30 D 4.3537 7.8980 121.6630 57.7326 40.6531 178.9778 31 I 3.5856 7.4300 119.2209 64.5987 37.0341 178.3412 32 E 3.8605 7.9403 118.9272 59.4146 29.3249 179.2941 33 Q 3.9423 8.4591 118.1873 58.9644 28.7425 178.6444 34 A 3.9858 8.1684 121.6048 55.4142 18.3812 179.5684 35 A 3.9333 7.9875 118.8474 55.3607 18.4637 179.6858 36 I 3.6610 8.0438 118.6770 64.7432 37.0963 178.5731 37 E 3.9294 8.3161 119.1302 59.3723 28.9589 178.7457 38 Q 3.9365 8.3727 119.7939 59.4963 28.8352 178.9198 39 A 4.0073 7.8880 120.8931 55.0147 18.4414 179.5168 40 K 3.8380 7.9777 117.0572 59.8789 31.9740 179.3768 41 L 4.0119 8.0226 117.8327 57.5787 41.5624 179.3433 42 K 4.0495 7.8411 117.0987 56.6261 33.3219 176.3296 43 N 4.1690 8.0562 117.0212 53.7676 37.3859 174.1733 44 N 4.8580 7.6434 111.5753 52.1644 37.8228 174.5284 45 D 4.3825 8.2672 113.6347 56.6629 38.7119 174.3537 46 S 4.7614 7.4407 112.6312 58.6139 64.4619 174.4304 47 E 4.7408 8.9648 121.7169 54.9713 33.5231 173.8592 48 V 4.8345 8.3129 124.8615 61.1848 33.7687 174.8670 49 L 4.6276 9.2513 128.3647 54.1617 43.5397 176.2080 50 V 5.0556 8.2457 113.8575 59.7823 35.1191 174.8303 51 F 5.0951 9.8238 126.1921 56.9091 43.3403 172.9028 52 Q 5.3323 7.3473 123.6678 54.5427 32.1397 173.4837 53 S 4.5847 8.2139 118.6062 57.2501 65.6989 174.3106 54 N 4.5402 8.8872 121.5681 54.9292 39.2813 175.4096 55 T 4.2791 7.6416 116.3441 62.0073 69.3564 174.7195 56 E 3.7033 9.0565 127.8035 59.6036 29.3429 179.2088 57 G 3.8024 7.9510 104.6658 47.7902 0.0000 175.2334 58 F 4.7351 8.2808 119.5126 60.2054 39.1031 178.1483 59 I 3.9960 7.9556 119.2484 64.3677 36.9122 178.3881 60 I 3.6373 7.7135 120.7462 64.3823 36.9624 178.0630 61 D 4.1731 8.3083 120.0688 57.5080 40.5795 179.0459 62 R 3.6468 7.9292 118.9038 58.9982 29.9651 178.7060 63 I 3.6800 7.3035 119.5753 64.4365 37.2082 177.8614 64 H 4.2014 8.2075 117.2365 58.9048 28.5323 177.3074 65 E 3.8637 8.2509 120.7421 59.1745 29.5403 178.4042 66 A 3.9343 8.1668 121.1347 55.2286 18.2670 179.4129 67 K 3.8239 7.8459 117.1815 59.9862 32.1021 179.0448 68 R 3.8864 7.5601 116.1266 59.2851 30.0506 178.2863 69 Q 4.3139 7.9024 115.5797 55.7435 29.0096 176.7325 70 G 3.8286 7.9652 108.2143 45.7015 0.0000 173.7023 71 V 3.5147 7.4506 118.4957 63.6385 31.5205 176.2425 72 G 4.0506 8.7120 114.1278 47.7417 0.0000 173.2384 73 F 4.9568 7.9401 121.1232 57.0380 43.2344 172.7075 74 V 4.9085 8.4529 123.9284 61.1403 34.5990 174.1845 75 V 4.9023 8.9487 128.2704 61.4528 33.3260 174.1455 76 I 5.0773 8.9037 128.2563 59.3185 41.5274 173.5620 77 N 5.3448 9.3355 127.3939 50.7153 40.1765 174.0746 78 A 4.4125 8.6333 126.4224 51.3300 20.0911 178.4658 79 G 3.5922 8.2444 106.2581 46.2763 0.0000 176.8190 80 A 4.1220 8.4286 122.5266 55.3976 18.7301 179.2665 81 Y 4.6102 7.7205 114.7910 60.5323 37.6385 178.3372 82 T 3.9730 7.8928 117.3248 66.7975 68.3375 174.9578 83 H 5.0302 8.4084 115.6057 56.1505 29.9416 175.5933 84 T 4.6312 7.9387 108.5552 60.7945 70.4492 173.0617 85 S 4.6844 8.1502 117.2613 56.1144 61.9050 174.1963 86 V 3.4754 7.6638 127.3925 64.0981 31.4552 177.5794 87 G 3.5229 7.6272 105.1801 47.9262 0.0000 175.7451 88 I 3.6422 7.6443 122.2128 64.0913 37.0943 178.4826 89 R 3.8172 7.4747 118.9551 59.6405 29.8859 178.4037 90 D 4.3715 8.2038 118.3732 56.9412 40.7203 178.6795 91 A 4.0017 8.0068 121.6042 55.2100 18.5574 179.7277 92 L 3.9325 7.7610 117.4093 57.8737 41.4276 179.7796 93 L 4.1881 8.0030 118.2813 57.7312 41.6234 179.5099 94 G 3.7195 8.2059 105.3640 47.6495 0.0000 175.2859 95 T 4.1175 8.0466 109.5597 61.1696 69.4929 174.3537 96 A 3.7572 7.5010 123.2369 53.1884 16.7823 176.9008 97 I 4.2742 7.6894 119.9800 60.6427 38.8298 174.5931 98 P 4.4876 0.0000 0.0000 62.6398 32.8755 174.8687 99 F 5.7446 7.4421 114.2548 54.9165 42.0716 172.8549 100 I 4.9881 8.4994 118.7958 59.5341 41.1691 174.0111 101 E 4.9905 9.0137 127.4065 54.9197 31.3642 174.6477 102 V 4.7530 8.8696 127.2150 61.3388 34.5926 173.8160 103 H 4.8227 9.2047 124.0557 54.0748 31.7876 174.3482 104 I 3.7605 8.7560 124.4867 64.4184 37.7623 176.5955 105 T 4.4416 7.6896 109.4819 59.7160 70.7567 174.2769 106 N 4.4525 8.3188 120.5923 52.8090 37.9097 175.1438 107 V 3.4450 8.2692 126.6820 66.2113 31.5435 177.3403 108 H 4.0499 8.0846 114.2384 57.0363 28.4316 175.7933 109 Q 4.3008 7.8957 117.9436 56.2278 29.3582 175.5595 110 R 4.6348 7.3286 117.6305 54.1866 32.8219 175.3060 111 E 3.8858 8.3758 117.4245 56.7782 30.0743 176.2321 112 P 3.6886 0.0000 0.0000 66.1543 30.8790 178.6194 113 F 4.2964 7.8972 113.4029 59.5262 37.5591 176.6837 114 R 3.6461 7.3101 116.5546 57.2715 30.0500 177.7559 115 H 4.3155 8.0113 117.0215 57.3707 29.1351 175.8476 116 Q 4.2797 7.1669 117.9037 55.4517 29.4650 175.2449 117 S 4.8905 8.2177 114.7362 56.9818 65.3681 172.9425 118 Y 4.5908 8.9815 123.7947 58.3501 38.1837 176.0251 119 L 4.7764 8.3806 121.9061 56.3296 43.3264 178.9198 120 S 4.2656 8.3232 114.6345 61.7055 62.8038 175.8324 121 D 4.5626 8.1156 116.7992 54.6343 39.4524 176.5222 122 K 4.3933 8.3274 117.7437 55.9749 33.8556 176.3530 123 A 2.5800 7.1115 121.4916 51.1772 18.9732 177.9121 124 V 3.7615 7.9323 120.7357 65.5694 31.8649 176.0390 125 A 4.7367 7.5879 119.7832 50.2569 23.2438 174.4690 126 V 4.7637 8.1441 117.8600 61.3286 34.6829 174.5371 127 I 4.6037 8.7676 129.0355 59.5798 39.6951 174.4400 128 C 5.0356 8.7943 121.7570 57.4651 32.1449 174.2099 129 G 4.0484 9.1401 111.7358 45.4923 0.0000 173.2758 130 L 4.4207 7.9341 119.3116 53.6922 42.7210 178.3640 131 G 3.9107 7.7743 106.8384 46.1702 0.0000 175.1770 132 V 4.0040 8.3367 110.2881 64.2624 32.1226 177.6027 133 Y 4.3957 8.3125 120.2153 59.6508 38.5881 177.4314 134 G 3.7964 8.1723 107.4468 48.4172 0.0000 175.2263 135 Y 4.1007 7.9476 119.3117 60.7815 37.7912 178.4816 136 T 4.1101 8.1771 117.2907 66.1164 68.6853 176.2611 137 A 3.7528 7.7982 122.5562 54.8536 18.2075 179.4761 138 A 3.8986 7.9451 119.2345 55.5342 18.4951 179.9878 139 I 3.6513 8.0586 118.5166 64.3781 36.8760 178.4698 140 E 3.9208 8.2436 119.1267 59.6179 29.7143 178.5565 141 Y 4.0358 7.9542 119.0812 60.4127 38.9842 177.3367 142 A 2.7039 8.0240 122.0864 55.1369 18.1851 179.7107 143 L 4.0520 7.6119 115.1495 56.8496 41.6939 178.3483 144 N 4.7023 7.2540 114.2023 52.0028 39.4431 173.8800 145 Y 4.1218 7.1060 123.1140 56.3232 39.7189 174.8210 146 Q 4.2441 7.9921 126.3205 55.7952 29.4227 176.2768 147 L 4.2047 8.5024 121.5759 55.1408 41.5012 177.0859 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 0 L 8.18 4.47 0.00 1.65 1.66 0.89 0.54 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 1 V 8.11 3.62 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.00 0.00 1.21 0.00 0.00 2 K 9.01 4.37 0.00 1.74 1.94 0.00 1.69 0.00 0.00 1.92 0.00 0.00 2.95 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.47 1.48 7.81 3 K 8.00 5.06 0.00 1.88 1.67 0.00 1.73 0.00 0.00 1.76 0.00 0.00 2.87 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.41 1.48 7.81 4 V 8.56 5.04 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 1.03 0.00 0.00 0.96 0.00 0.00 5 L 9.00 5.08 0.00 1.81 1.55 0.99 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 6 L 9.44 5.02 0.00 1.81 1.56 1.24 -0.32 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 7 I 8.77 5.12 1.96 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.71 1.08 0.00 0.00 8 N 9.39 5.46 0.00 2.65 2.69 0.00 0.00 6.44 7.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 G 8.67 4.42 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 0.00 10 P 0.00 4.49 0.00 1.86 1.90 0.00 3.63 0.00 0.00 3.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.44 0.00 11 N 9.22 4.65 0.00 2.92 3.10 0.00 0.00 6.74 6.68 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 12 L 7.57 4.34 0.00 1.74 1.75 1.09 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 13 N 8.08 4.37 0.00 2.77 3.05 0.00 0.00 6.09 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 14 L 8.35 4.18 0.00 1.81 1.75 0.92 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 15 L 7.82 4.41 0.00 1.87 1.82 0.98 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 16 G 8.00 4.19 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 T 8.57 4.42 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 18 R 8.03 4.03 0.00 1.82 2.02 0.00 3.28 0.00 0.00 3.16 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.62 0.00 *23 Y 7.73 4.55 0.00 3.01 3.03 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 24 G 7.51 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 25 T 8.03 4.09 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 1.12 0.00 0.00 26 T 7.65 4.20 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 1.21 0.00 0.00 27 S 8.34 5.53 0.00 3.98 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 28 L 8.17 3.93 0.00 1.92 1.66 0.84 0.69 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 29 S 7.93 4.17 0.00 3.90 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 30 D 7.90 4.35 0.00 2.92 2.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 I 7.43 3.59 1.83 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.87 0.13 0.00 0.00 32 E 7.94 3.86 0.00 2.10 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 2.24 2.51 0.00 33 Q 8.46 3.94 0.00 2.19 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.73 0.00 0.00 0.00 0.00 0.00 2.36 2.52 0.00 34 A 8.17 3.99 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 35 A 7.99 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 36 I 8.04 3.66 2.03 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 1.62 0.67 0.92 0.00 0.00 37 E 8.32 3.93 0.00 2.25 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 2.46 0.00 38 Q 8.37 3.94 0.00 2.19 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.83 0.00 0.00 0.00 0.00 0.00 2.38 2.42 0.00 39 A 7.89 4.01 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 K 7.98 3.84 0.00 2.00 1.89 0.00 1.84 0.00 0.00 1.65 0.00 0.00 2.93 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.47 1.64 7.81 41 L 8.02 4.01 0.00 1.86 1.76 0.93 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 42 K 7.84 4.05 0.00 1.68 1.87 0.00 1.86 0.00 0.00 1.63 0.00 0.00 2.98 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.74 1.58 7.81 43 N 8.06 4.17 0.00 2.74 2.76 0.00 0.00 6.95 7.32 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 44 N 7.64 4.86 0.00 2.80 2.81 0.00 0.00 6.46 8.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 D 8.27 4.38 0.00 2.80 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 46 S 7.44 4.76 0.00 4.02 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 47 E 8.96 4.74 0.00 2.02 1.73 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 2.22 2.27 0.00 48 V 8.31 4.83 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.00 0.00 0.95 0.00 0.00 49 L 9.25 4.63 0.00 1.62 1.59 0.93 0.75 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 50 V 8.25 5.06 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 0.69 0.00 0.00 0.95 0.00 0.00 51 F 9.82 5.10 0.00 2.96 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 52 Q 7.35 5.33 0.00 1.91 1.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.59 6.50 0.00 0.00 0.00 0.00 0.00 2.30 2.06 0.00 53 S 8.21 4.58 0.00 3.81 3.77 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 54 N 8.89 4.54 0.00 2.72 2.83 0.00 0.00 6.94 7.54 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 55 T 7.64 4.28 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 0.56 0.00 0.00 56 E 9.06 3.70 0.00 1.31 1.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 1.74 0.00 57 G 7.95 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 58 F 8.28 4.74 0.00 3.37 3.28 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 59 I 7.96 4.00 2.08 0.00 0.00 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 2.00 1.62 1.02 0.00 0.00 60 I 7.71 3.64 1.97 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.51 0.75 0.00 0.00 61 D 8.31 4.17 0.00 2.78 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 62 R 7.93 3.65 0.00 1.01 1.52 0.00 2.57 0.00 0.00 2.25 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.64 1.30 0.00 63 I 7.30 3.68 1.96 0.00 0.00 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 1.45 0.79 0.89 0.00 0.00 64 H 8.21 4.20 0.00 3.24 3.30 0.00 5.65 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 E 8.25 3.86 0.00 2.00 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 2.23 2.32 0.00 66 A 8.17 3.93 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 67 K 7.85 3.82 0.00 1.90 1.95 0.00 1.55 0.00 0.00 1.65 0.00 0.00 3.10 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.43 1.53 7.81 68 R 7.56 3.89 0.00 1.94 1.99 0.00 3.19 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 1.66 1.68 0.00 69 Q 7.90 4.31 0.00 2.19 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.27 0.00 0.00 0.00 0.00 0.00 2.35 2.59 0.00 70 G 7.97 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 71 V 7.45 3.51 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.00 0.00 0.99 0.00 0.00 72 G 8.71 4.05 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 F 7.94 4.96 0.00 3.03 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 74 V 8.45 4.91 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 0.91 0.00 0.00 0.94 0.00 0.00 75 V 8.95 4.90 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 1.03 0.00 0.00 1.10 0.00 0.00 76 I 8.90 5.08 1.86 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 1.15 1.25 0.87 0.00 0.00 77 N 9.34 5.34 0.00 2.84 2.81 0.00 0.00 6.98 8.11 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 78 A 8.63 4.41 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 79 G 8.24 3.59 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 0.00 0.00 0.00 80 A 8.43 4.12 1.25 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 0.00 0.00 81 Y 7.72 4.61 0.00 3.18 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 82 T 7.89 3.97 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 1.33 0.00 0.00 83 H 8.41 5.03 0.00 3.34 3.53 0.00 5.59 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 T 7.94 4.63 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 1.35 0.00 0.00 85 S 8.15 4.68 0.00 3.76 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 V 7.66 3.48 1.79 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 0.84 0.00 0.00 -0.07 0.00 0.00 87 G 7.63 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 I 7.64 3.64 1.81 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.85 0.81 0.00 0.00 89 R 7.47 3.82 0.00 2.23 1.93 0.00 3.18 0.00 0.00 3.24 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.78 0.00 90 D 8.20 4.37 0.00 2.79 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 91 A 8.01 4.00 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 92 L 7.76 3.93 0.00 1.74 1.74 -0.22 0.46 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 93 L 8.00 4.19 0.00 1.65 1.76 0.97 0.91 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 94 G 8.21 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 95 T 8.05 4.12 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 1.24 0.00 0.00 96 A 7.50 3.76 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 97 I 7.69 4.27 1.86 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 1.47 0.76 0.86 0.00 0.00 98 P 0.00 4.49 0.00 1.04 1.88 0.00 3.68 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.87 0.00 99 F 7.44 5.74 0.00 2.99 2.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 I 8.50 4.99 2.06 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 1.19 0.93 0.97 0.00 0.00 101 E 9.01 4.99 0.00 2.23 1.86 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 2.17 2.30 0.00 102 V 8.87 4.75 1.80 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 0.23 0.00 0.00 0.79 0.00 0.00 103 H 9.20 4.82 0.00 3.03 3.16 0.00 5.68 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 I 8.76 3.76 1.92 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.29 0.98 0.00 0.00 105 T 7.69 4.44 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 1.24 0.00 0.00 106 N 8.32 4.45 0.00 2.81 2.76 0.00 0.00 6.48 7.71 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 0.00 107 V 8.27 3.45 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 0.75 0.00 0.00 0.72 0.00 0.00 108 H 8.08 4.05 0.00 3.24 3.22 0.00 5.70 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 Q 7.90 4.30 0.00 2.20 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.03 6.63 0.00 0.00 0.00 0.00 0.00 2.32 2.29 0.00 110 R 7.33 4.63 0.00 1.76 1.74 0.00 3.13 0.00 0.00 3.13 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.50 0.00 111 E 8.38 3.89 0.00 1.28 1.67 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 2.40 2.29 0.00 112 P 0.00 3.69 0.00 2.16 2.18 0.00 3.60 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 2.06 2.01 0.00 113 F 7.90 4.30 0.00 3.31 3.39 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 0.00 114 R 7.31 3.65 0.00 1.53 1.72 0.00 2.95 0.00 0.00 3.13 7.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.82 0.00 115 H 8.01 4.32 0.00 3.19 3.38 0.00 5.67 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 Q 7.17 4.28 0.00 2.19 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.61 0.00 0.00 0.00 0.00 0.00 2.59 2.44 0.00 117 S 8.22 4.89 0.00 3.87 3.76 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 0.00 118 Y 8.98 4.59 0.00 3.04 2.99 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 0.00 119 L 8.38 4.78 0.00 1.87 2.02 0.89 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 120 S 8.32 4.27 0.00 3.91 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 0.00 121 D 8.12 4.56 0.00 2.80 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 0.00 122 K 8.33 4.39 0.00 1.89 1.93 0.00 1.78 0.00 0.00 1.73 0.00 0.00 3.02 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.43 1.59 7.81 123 A 7.11 2.58 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 0.00 124 V 7.93 3.76 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 0.86 0.00 0.00 125 A 7.59 4.74 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 126 V 8.14 4.76 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 0.95 0.00 0.00 0.99 0.00 0.00 127 I 8.77 4.60 1.77 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.56 0.84 0.00 0.00 128 C 8.79 5.04 0.00 2.94 2.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 129 G 9.14 4.05 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 L 7.93 4.42 0.00 1.61 1.80 0.99 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 131 G 7.77 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 0.00 0.00 0.00 132 V 8.34 4.00 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 0.83 0.00 0.00 1.04 0.00 0.00 133 Y 8.31 4.40 0.00 3.07 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 0.00 134 G 8.17 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 0.00 135 Y 7.95 4.10 0.00 3.10 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 0.00 136 T 8.18 4.11 4.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 137 A 7.80 3.75 0.99 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 0.00 138 A 7.95 3.90 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 0.00 139 I 8.06 3.65 2.20 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 1.57 0.63 0.92 0.00 0.00 140 E 8.24 3.92 0.00 2.09 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 2.34 2.48 0.00 141 Y 7.95 4.04 0.00 2.98 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 0.00 142 A 8.02 2.70 1.03 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 0.00 143 L 7.61 4.05 0.00 1.73 1.70 0.91 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 144 N 7.25 4.70 0.00 2.62 2.67 0.00 0.00 6.91 7.20 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 0.00 145 Y 7.11 4.12 0.00 2.85 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 0.00 146 Q 7.99 4.24 0.00 1.76 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.62 0.00 0.00 0.00 0.00 0.00 2.25 2.21 0.00 147 L 8.50 4.20 0.00 1.65 1.64 0.94 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.