NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 P 4.4653 0.0000 0.0000 62.4441 33.7340 178.2006 6 E 4.2262 7.8532 118.7404 57.2312 30.1276 177.2669 7 R 3.7961 8.1402 117.9729 59.1295 30.3831 178.5994 8 R 3.3096 7.7308 117.7403 59.1764 30.1876 178.2615 9 A 3.9591 7.4061 120.8123 55.1220 18.4617 179.3238 10 A 3.9108 8.2404 119.5393 55.4149 18.3409 179.8643 11 L 4.0149 7.6615 116.9542 57.6283 41.6981 179.7795 12 V 3.5666 8.0886 118.7641 65.8079 31.4422 177.8333 13 N 4.2419 8.3394 116.1111 56.3467 38.4691 176.9672 14 A 3.9805 7.8617 121.6037 55.3406 18.2974 179.5578 15 A 3.8459 8.1334 119.0479 55.3369 18.4746 179.9647 16 I 3.6027 7.7982 118.3920 64.4301 37.1525 178.5425 17 E 3.9264 8.6107 119.9241 59.4425 29.2497 179.6128 18 V 3.5908 7.8151 118.2548 65.7703 31.4792 178.1440 19 L 3.9304 8.1947 118.8730 57.8415 41.3072 179.3849 20 A 4.0392 7.7115 119.1800 54.9457 18.3184 179.3742 21 R 4.1480 7.7960 115.6223 57.9572 30.5472 177.4289 22 E 4.5018 8.2160 116.8782 57.8762 31.8488 174.4798 23 G 3.7928 7.6345 102.4481 42.8735 0.0000 174.5350 24 A 4.2104 8.9943 124.0042 56.0515 18.4175 180.1409 25 R 4.1412 8.0943 112.6647 59.1365 29.7069 180.0620 26 G 3.6897 8.0800 105.9507 48.0642 0.0000 173.4607 27 L 3.9091 7.5500 122.2221 55.2457 42.1404 176.3257 28 T 4.4360 7.8956 118.6225 59.6049 71.9361 174.0075 29 F 4.5662 8.3169 123.0281 60.5923 38.9157 178.0996 30 R 3.9612 8.1523 117.1104 59.4702 30.0178 178.8667 31 A 4.0471 7.9624 119.8932 54.9820 18.4330 179.6495 32 V 3.5445 8.1233 117.1557 66.1328 31.3718 178.0775 33 D 4.3225 8.0978 118.3016 57.4118 40.5253 178.5652 34 V 3.6608 7.2975 116.8640 66.4107 31.5223 177.4719 35 E 4.0631 8.0262 116.8798 57.8035 29.7155 176.8847 36 A 4.2809 7.0748 120.9289 51.6581 19.0604 177.2894 37 N 4.5189 8.5914 116.7918 54.8672 38.8921 176.3072 38 V 4.2861 7.3715 117.3904 59.1195 31.2535 172.6562 39 P 5.2508 0.0000 0.0000 63.5554 31.0236 179.0500 40 K 4.1021 7.8273 120.6551 55.6002 31.9902 181.7346 41 G 4.4887 7.1260 106.9204 45.3483 0.0000 174.9126 42 T 4.0142 7.8920 119.2087 66.0826 69.2952 176.9864 43 A 4.1113 8.8170 123.5065 55.4533 18.1526 179.6735 44 S 3.2072 7.7035 109.2227 60.5599 62.5471 175.1136 45 N 4.4580 7.9266 117.5270 54.5835 38.6364 175.1673 46 Y 3.8992 7.5485 116.3236 57.6939 38.1779 175.7009 47 F 4.9212 7.4579 118.2607 54.9110 42.1180 173.6250 48 P 4.5308 0.0000 0.0000 65.2684 31.6874 177.2619 49 S 4.9770 7.8729 108.5091 55.8451 67.4925 175.0007 50 R 3.5641 8.7407 122.6841 59.5987 29.5899 178.3052 51 D 4.4493 8.2004 117.5399 57.2717 41.2694 177.3681 52 D 4.5986 8.3542 118.3324 56.3809 41.1335 177.9207 53 L 3.2934 8.1048 121.2349 58.1199 42.0968 178.6988 54 F 3.9473 7.9419 117.0263 60.8021 38.4150 177.5151 55 D 4.4653 8.0618 119.2675 58.1861 40.7075 179.1103 56 Q 4.1215 8.0717 121.0037 60.5719 28.0201 180.7543 57 V 3.8575 7.6239 119.9826 65.8910 31.3331 178.1870 58 G 3.8700 8.5535 107.0312 48.5509 0.0000 175.7398 59 K 4.3551 8.3901 126.7281 58.7072 32.2946 181.3368 60 R 4.6504 7.7168 118.1052 59.6002 30.2490 183.1846 61 I 3.8560 7.9230 117.8264 65.0902 38.0052 177.1069 62 H 4.3681 8.3646 116.4788 57.7781 28.5673 176.4443 63 E 4.2125 8.2250 115.6983 57.2330 29.8598 182.5863 64 R 4.2578 7.9922 117.6186 57.3412 30.8580 176.0762 65 L 4.0427 7.2975 116.5635 52.7835 43.6751 180.8292 *81 N 4.7711 8.3407 112.2699 54.9469 40.5809 175.7729 82 L 4.2418 7.7560 118.6608 57.5253 42.1139 178.2642 83 E 4.0212 8.2044 118.5326 59.1585 29.3544 178.7415 84 L 4.0092 7.8939 119.8020 57.8117 42.1067 178.3495 85 A 4.0905 7.4322 118.6099 55.4296 18.3742 179.3948 86 I 3.8264 7.5710 116.7040 64.7442 37.5824 177.9576 87 E 4.4213 8.4757 120.8457 58.9745 29.2962 179.1741 88 Y 3.9182 8.2956 115.3243 59.0508 38.6059 177.3858 *90 Q 4.3818 8.0865 119.4813 55.6775 31.1689 177.8081 91 G 3.6397 8.0964 104.5613 47.4742 0.0000 175.6625 92 L 3.8513 7.9002 122.3056 57.6814 42.1678 178.2811 93 F 4.4266 8.1430 118.3215 59.6772 39.8709 176.7253 94 G 3.6585 7.5165 104.0372 47.6915 0.0000 175.2663 95 R 4.1837 7.7483 118.3918 56.9616 29.7380 177.9323 96 I 3.8878 7.1572 117.6127 65.4287 38.0843 177.5405 97 T 3.9815 7.6777 114.7960 66.3177 68.3984 176.3889 98 R 4.0596 7.7819 120.2237 59.5021 30.3262 177.5756 99 D 4.6831 7.9792 116.5219 54.4395 40.6163 178.0984 100 R 3.9826 7.5608 122.6366 60.2964 29.9964 178.4883 101 T 3.9817 7.9219 114.7587 66.5476 68.4968 176.8516 102 G 3.4420 7.8219 107.1691 48.0054 0.0000 175.2937 103 Y 4.3304 7.7795 119.2295 60.6284 37.8340 178.3903 104 L 4.0369 8.2260 119.9292 57.7302 41.7572 179.3266 105 A 4.0025 8.1501 120.7912 54.8120 18.1728 179.2654 106 L 3.9166 7.9387 118.9517 58.5418 42.2702 179.1727 107 Q 4.0237 8.0940 117.7274 59.2322 28.3871 178.7896 108 E 4.0179 8.3540 119.3996 59.5557 29.4617 179.5399 109 L 4.1044 8.4919 119.2896 57.7571 41.4570 179.5653 110 R 3.9515 8.0788 117.3154 59.5319 30.4195 178.8198 111 L 4.1272 7.8423 118.2689 57.7665 41.5829 179.2368 112 E 3.9352 8.3646 119.0410 58.8688 29.2557 178.5471 113 A 3.9207 7.8241 120.5393 55.1256 18.4371 179.2634 114 V 3.6241 7.2258 114.5036 65.9544 31.5693 177.7504 115 R 4.5116 7.6785 115.5269 55.7213 30.9337 176.1439 116 R 4.4398 7.7272 117.7363 53.3273 31.6226 174.6025 117 P 4.2840 0.0000 0.0000 65.1716 31.4149 178.4517 118 E 3.9341 8.0579 118.0798 59.1047 29.6890 178.3797 119 L 4.2117 7.7885 121.3041 57.5711 42.1217 178.6602 120 R 3.9036 8.0126 118.6555 59.6772 29.9866 178.5689 121 T 3.8541 8.0119 115.3930 67.0330 68.5705 176.7684 122 T 3.8598 7.7821 117.2209 66.5760 68.5108 176.6596 123 L 3.9782 8.4372 122.6467 58.2839 42.0467 178.7766 124 T 3.8894 8.1314 116.0257 66.8792 68.4096 176.4958 125 R 3.8880 7.9029 119.4128 59.6226 30.1502 178.9109 126 T 3.8333 7.7118 115.1763 67.0350 68.5327 176.6266 127 I 3.6617 7.8304 121.1331 64.3790 37.1793 178.5100 128 S 4.0465 8.2990 116.3800 61.8833 62.6836 176.8835 129 E 3.9631 8.5240 121.3561 59.3028 29.2067 178.8414 130 N 4.2735 8.2310 117.1589 56.6737 39.0343 176.6742 131 L 3.8463 8.3409 122.1086 57.8272 42.0338 178.6589 132 K 3.8687 8.5005 120.0158 59.6883 32.0976 178.9277 133 R 3.9611 8.1761 118.2273 59.4745 29.9771 178.8338 134 D 4.5049 8.1687 118.6856 57.2330 40.6631 178.9893 135 I 3.8330 7.9807 120.5227 64.3156 37.1799 178.4238 136 G 3.7586 8.3560 106.9065 47.9049 0.0000 175.0535 137 F 4.0260 8.8175 123.6485 61.3080 39.1697 176.5816 138 H 4.0869 8.3949 116.1665 59.4016 29.7557 176.8172 139 L 4.1318 8.0375 119.7263 57.9759 41.5404 179.0260 140 D 4.4277 8.0203 117.7852 56.6368 40.8408 178.4714 141 S 3.9482 7.4762 113.9968 59.1894 63.1601 175.5147 142 G 3.8855 7.9919 109.5989 45.0598 0.0000 173.7328 143 L 4.0665 7.2925 119.7439 53.8454 42.1544 175.4471 144 P 4.3661 0.0000 0.0000 63.2168 32.0178 175.0511 145 G 4.2992 8.2162 105.4712 43.5848 0.0000 173.2257 146 D 5.2736 8.4635 119.7475 51.7129 41.8209 176.7033 147 R 3.9969 8.6599 115.5334 60.0867 29.8740 178.7629 148 S 4.1308 8.0376 113.4755 61.7259 62.8622 176.2816 149 T 4.1217 7.8376 117.7471 66.9513 68.5903 176.3915 150 V 3.8253 7.3431 118.8417 65.7054 31.4794 178.1978 151 L 4.2214 7.9069 114.8350 55.7770 40.8276 178.7069 *153 L 4.2526 7.8059 121.2299 55.1098 43.6473 178.3981 154 Y 4.1652 8.5099 118.5471 60.8388 39.0979 177.5568 155 L 3.8544 8.7424 119.6264 57.9690 41.8876 180.6250 156 A 3.7547 7.2690 118.1871 53.0445 18.0615 178.9828 *158 N 4.3956 8.3731 117.5051 54.7401 40.5316 177.0519 159 A 3.9584 7.7338 119.7198 54.7039 18.3315 179.3631 160 L 3.8244 8.1389 119.3421 58.3907 42.1349 179.2838 161 I 3.7223 7.6346 119.0842 64.4315 37.0581 178.3869 162 V 3.5349 7.6110 118.9738 65.8934 31.2764 177.5971 163 E 3.9027 8.3920 119.1918 59.6045 29.2937 178.2637 164 H 4.1788 8.1195 116.8498 59.4188 30.0363 176.9775 165 L 4.0808 8.0461 119.9426 56.9187 41.4666 178.6401 166 T 4.3839 7.8265 108.3041 62.4702 71.3966 175.4434 167 L 4.7659 7.7007 122.1753 51.0231 41.6731 175.1918 168 P 4.2340 0.0000 0.0000 65.6015 31.3997 179.7882 169 G 3.6534 8.0696 107.2215 47.8557 0.0000 175.5976 170 V 3.5907 7.9414 119.7415 65.2649 31.7491 176.5725 171 L 4.5548 7.6578 117.5897 54.1747 42.0724 177.4723 172 E 3.8836 7.8138 121.0762 59.4562 29.3969 178.0702 173 G 3.9161 8.0248 103.7800 45.4657 0.0000 172.7599 174 V 4.1415 7.7194 120.6709 61.2310 32.6458 176.9792 175 D 4.6439 8.3549 127.0400 53.8410 39.2927 176.3617 176 T 3.7458 8.0116 115.7765 63.6152 69.2783 176.2508 177 E 3.8503 8.0039 122.3337 59.3017 29.8199 178.4836 178 R 3.8956 7.8989 118.8906 59.0579 30.0303 178.0788 179 L 3.8652 8.1474 120.6503 58.2719 42.1108 179.2637 180 V 3.4645 7.6379 117.7120 65.6885 31.4114 177.8283 181 A 3.9943 7.8626 120.2159 55.3283 18.2786 179.3528 182 D 4.3015 8.4616 117.8423 57.2711 40.8473 178.8498 183 L 3.9060 8.1100 120.9885 58.1377 42.2604 179.1939 184 V 3.5974 7.8057 118.1043 66.4801 31.2936 178.1566 185 T 3.9315 7.7648 114.1012 66.5248 67.9730 176.4370 186 R 4.1632 8.2190 119.7070 58.6349 30.0652 178.7599 187 A 4.0465 7.9800 120.0572 55.2325 18.2850 179.8903 188 V 3.7078 7.9054 110.2401 63.0560 31.6792 176.7858 189 A 4.1909 7.0479 120.6291 52.5084 19.2786 177.4146 190 T 4.6524 7.9743 108.7815 59.6703 68.4894 171.0782 191 P 4.4910 0.0000 0.0000 63.0472 32.8695 175.8915 192 D 4.6069 8.3365 118.4168 53.1298 41.5878 176.8561 193 A 4.1885 8.5459 126.0390 52.4361 18.5698 176.8396 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 5 P 0.00 4.47 0.00 2.26 2.35 0.00 3.75 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.02 0.00 6 E 7.85 4.23 0.00 2.07 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.40 0.00 7 R 8.14 3.80 0.00 1.84 1.78 0.00 3.21 0.00 0.00 3.26 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.71 0.00 8 R 7.73 3.31 0.00 1.91 2.08 0.00 3.32 0.00 0.00 3.45 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.68 0.00 9 A 7.41 3.96 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 10 A 8.24 3.91 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 11 L 7.66 4.01 0.00 1.99 1.86 0.43 0.56 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 12 V 8.09 3.57 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 1.02 0.00 0.00 1.12 0.00 0.00 13 N 8.34 4.24 0.00 2.98 2.82 0.00 0.00 6.88 7.15 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 14 A 7.86 3.98 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 15 A 8.13 3.85 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 16 I 7.80 3.60 1.95 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 1.48 0.95 0.86 0.00 0.00 17 E 8.61 3.93 0.00 2.07 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.43 0.00 18 V 7.82 3.59 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 1.06 0.00 0.00 1.02 0.00 0.00 19 L 8.19 3.93 0.00 1.83 1.70 0.84 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 20 A 7.71 4.04 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 21 R 7.80 4.15 0.00 1.86 1.98 0.00 3.10 0.00 0.00 3.14 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.74 0.00 22 E 8.22 4.50 0.00 1.98 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 2.20 2.32 0.00 23 G 7.63 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 A 8.99 4.21 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 25 R 8.09 4.14 0.00 1.84 1.86 0.00 3.28 0.00 0.00 3.23 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.20 0.00 26 G 8.08 3.69 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 0.00 0.00 0.00 27 L 7.55 3.91 0.00 1.63 1.66 0.74 -0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 28 T 7.90 4.44 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 1.26 0.00 0.00 29 F 8.32 4.57 0.00 3.18 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 30 R 8.15 3.96 0.00 1.89 2.02 0.00 3.16 0.00 0.00 3.37 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.78 0.00 31 A 7.96 4.05 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 32 V 8.12 3.54 2.20 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 1.08 0.00 0.00 0.96 0.00 0.00 33 D 8.10 4.32 0.00 2.96 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 V 7.30 3.66 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 0.79 0.00 0.00 0.94 0.00 0.00 35 E 8.03 4.06 0.00 2.00 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 0.00 2.48 2.35 0.00 36 A 7.07 4.28 1.34 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 0.00 0.00 0.00 0.00 0.00 0.00 37 N 8.59 4.52 0.00 2.68 2.87 0.00 0.00 6.72 7.68 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 38 V 7.37 4.29 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 0.76 0.00 0.00 0.94 0.00 0.00 39 P 0.00 5.25 0.00 2.18 2.31 0.00 3.11 0.00 0.00 4.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.26 0.00 40 K 7.83 4.10 0.00 1.80 1.69 0.00 1.86 0.00 0.00 1.71 0.00 0.00 2.93 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.36 1.01 7.81 41 G 7.13 4.49 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 0.00 0.00 0.00 0.00 0.00 0.00 42 T 7.89 4.01 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 1.31 0.00 0.00 43 A 8.82 4.11 1.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.70 3.21 0.00 3.63 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 N 7.93 4.46 0.00 2.88 2.71 0.00 0.00 6.90 6.96 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 46 Y 7.55 3.90 0.00 2.52 1.70 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 47 F 7.46 4.92 0.00 3.19 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 48 P 0.00 4.53 0.00 2.13 2.17 0.00 4.04 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 2.10 2.11 0.00 49 S 7.87 4.98 0.00 4.09 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 50 R 8.74 3.56 0.00 1.56 1.92 0.00 3.02 0.00 0.00 3.22 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.18 0.00 51 D 8.20 4.45 0.00 2.87 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 D 8.35 4.60 0.00 2.98 2.99 0.00 0.00 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0.00 2.09 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 2.41 2.81 0.00 119 L 7.79 4.21 0.00 1.79 1.80 1.04 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 120 R 8.01 3.90 0.00 2.14 2.05 0.00 3.15 0.00 0.00 3.28 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.68 0.00 121 T 8.01 3.85 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 1.22 0.00 0.00 122 T 7.78 3.86 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 1.23 0.00 0.00 123 L 8.44 3.98 0.00 1.94 1.68 0.98 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 124 T 8.13 3.89 4.45 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 1.21 0.00 0.00 125 R 7.90 3.89 0.00 2.00 1.98 0.00 3.16 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 1.65 1.88 0.00 126 T 7.71 3.83 4.36 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 0.00 143 L 7.29 4.07 0.00 1.34 1.55 0.95 0.95 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 0.00 144 P 0.00 4.37 0.00 2.19 2.06 0.00 3.75 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.97 0.00 145 G 8.22 4.30 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 0.00 146 D 8.46 5.27 0.00 2.81 2.80 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 0.00 147 R 8.66 4.00 0.00 1.88 2.02 0.00 3.13 0.00 0.00 3.34 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.72 0.00 148 S 8.04 4.13 0.00 4.00 3.94 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 0.00 149 T 7.84 4.12 4.36 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 1.16 0.00 0.00 150 V 7.34 3.83 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 0.96 0.00 0.00 0.90 0.00 0.00 151 L 7.91 4.22 0.00 1.76 1.71 0.94 0.40 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 *153 L 7.81 4.25 0.00 1.85 1.80 0.95 0.81 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 0.00 154 Y 8.51 4.17 0.00 2.91 3.29 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 0.00 155 L 8.74 3.85 0.00 1.74 1.69 1.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 0.00 0.00 0.00 0.00 0.00 0.00 156 A 7.27 3.75 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 *158 N 8.37 4.40 0.00 2.76 2.70 0.00 0.00 6.91 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 0.00 159 A 7.73 3.96 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 0.00 160 L 8.14 3.82 0.00 1.75 1.57 0.67 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 161 I 7.63 3.72 1.73 0.00 0.00 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.43 0.08 0.00 0.00 162 V 7.61 3.53 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 0.98 0.00 0.00 163 E 8.39 3.90 0.00 2.25 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 2.31 2.38 0.00 164 H 8.12 4.18 0.00 3.42 3.49 0.00 5.81 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 0.00 165 L 8.05 4.08 0.00 1.65 1.71 1.01 0.73 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 0.00 166 T 7.83 4.38 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 1.24 0.00 0.00 167 L 7.70 4.77 0.00 1.80 1.60 0.96 0.87 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 0.00 168 P 0.00 4.23 0.00 2.19 2.30 0.00 3.76 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 1.92 0.00 169 G 8.07 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 0.00 170 V 7.94 3.59 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 0.79 0.00 0.00 0.98 0.00 0.00 171 L 7.66 4.55 0.00 1.77 1.68 0.99 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 172 E 7.81 3.88 0.00 2.02 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 2.34 2.30 0.00 173 G 8.02 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 0.00 174 V 7.72 4.14 2.22 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 0.73 0.00 0.00 0.92 0.00 0.00 175 D 8.35 4.64 0.00 2.74 2.53 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 0.00 176 T 8.01 3.75 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 1.15 0.00 0.00 177 E 8.00 3.85 0.00 2.06 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.38 0.00 178 R 7.90 3.90 0.00 1.87 2.02 0.00 3.14 0.00 0.00 3.08 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.62 0.00 179 L 8.15 3.87 0.00 1.77 1.68 0.86 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 180 V 7.64 3.46 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.00 0.00 0.71 0.00 0.00 181 A 7.86 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 0.00 182 D 8.46 4.30 0.00 2.86 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 0.00 183 L 8.11 3.91 0.00 1.74 1.89 0.90 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 184 V 7.81 3.60 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 1.02 0.00 0.00 0.99 0.00 0.00 185 T 7.76 3.93 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 1.22 0.00 0.00 186 R 8.22 4.16 0.00 1.93 1.96 0.00 3.12 0.00 0.00 3.16 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.72 0.00 187 A 7.98 4.05 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 0.00 188 V 7.91 3.71 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 1.04 0.00 0.00 1.01 0.00 0.00 189 A 7.05 4.19 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 0.00 190 T 7.97 4.65 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 1.33 0.00 0.00 191 P 0.00 4.49 0.00 2.20 2.12 0.00 3.86 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.99 0.00 192 D 8.34 4.61 0.00 2.69 2.65 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 0.00 193 A 8.55 4.19 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.