NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 V 4.1334 8.1545 117.9097 60.3196 33.8389 176.8920 4 L 4.0619 7.9978 123.0000 56.0904 41.0728 176.6438 5 V 3.8753 8.3286 120.0763 60.4343 33.3532 175.8214 6 P 4.4346 0.0000 0.0000 62.0938 29.8331 175.5812 *8 V 3.8940 8.0608 112.9778 62.5764 32.6130 175.9259 9 V 4.0449 8.1217 119.1429 63.5799 32.2274 175.5701 10 E 4.5546 7.6153 119.8068 55.9841 30.0080 174.0689 *19 Y 4.4415 7.8305 113.2588 57.2283 39.3563 175.2637 20 D 4.8515 8.2567 121.4718 52.7411 42.0614 177.2018 21 I 3.5338 7.5082 119.3789 64.5552 37.8547 177.6548 22 Y 4.2544 7.7495 116.8489 60.9028 37.4916 178.3337 23 S 4.3005 7.8483 115.0073 61.4054 63.1459 176.2384 24 R 3.4751 8.0045 121.5483 59.2435 29.8389 178.6390 25 L 4.0755 7.9623 118.6457 57.3589 41.5288 179.0640 26 L 4.3196 7.8912 122.0589 57.4809 41.7427 178.9025 27 K 4.2060 7.7280 118.5996 58.8640 32.0462 177.3855 28 D 4.7615 7.6853 116.8239 53.3903 41.3860 176.1637 29 R 3.9055 8.2687 117.8009 57.3424 27.8724 175.3294 30 V 4.5485 7.7202 117.7150 61.2654 33.6652 174.3406 31 I 4.7633 8.6177 128.5503 59.5493 40.3177 174.3360 32 F 4.8032 8.9861 125.3114 56.1414 40.4877 175.2747 33 L 4.6160 9.0246 127.0004 53.5429 42.8623 175.2736 34 V 5.1844 7.3727 117.6180 59.4845 36.1030 176.9128 35 G 3.8240 8.7311 110.3881 44.5350 0.0000 172.7179 36 Q 4.2732 8.4199 117.6040 56.0046 29.6533 176.8652 37 V 3.9594 8.7884 124.8882 62.8619 32.2839 174.5952 38 E 5.0801 8.4926 124.9025 54.7673 32.8865 175.0802 39 D 4.4928 9.0273 118.9501 58.0988 40.8658 178.8727 40 H 4.1015 9.0178 115.3871 57.8618 30.1119 176.1127 *42 A 4.2847 8.0376 121.5071 52.6623 20.2415 179.2695 43 N 4.3858 8.2583 113.3041 56.1955 38.4449 177.8190 44 L 3.9305 7.7515 120.4226 57.4713 41.4587 179.2379 45 A 3.9717 7.8583 119.1768 55.2471 18.5163 179.0097 46 I 3.8023 7.8062 116.9146 64.8391 37.5694 178.1309 47 A 4.2389 8.2802 121.4034 55.1462 18.1233 179.5699 48 Q 4.1009 8.0001 115.7887 56.4840 28.9886 178.4138 *50 L 4.3487 7.9518 122.1390 54.9105 44.0638 179.2810 51 F 4.2792 8.4205 120.2481 61.2227 39.2065 177.2919 52 L 3.6090 8.0685 118.6947 57.6230 41.1880 178.9709 53 E 3.8265 8.0563 117.7226 59.4379 29.6056 178.4195 54 S 4.2018 7.6474 112.1778 61.0748 62.4885 175.7561 55 E 4.2211 7.7294 120.7599 58.0166 28.2320 177.0669 56 N 4.5153 8.0286 120.7238 52.1040 40.2034 172.8627 57 P 4.1788 0.0000 0.0000 64.4128 31.8437 176.9094 58 N 4.6596 8.0729 115.9959 54.5841 39.7812 175.8812 59 K 4.2590 7.3580 116.5917 55.8862 32.7047 177.3753 60 D 4.7253 8.7587 123.1241 55.2463 41.7895 175.8225 61 I 4.4998 8.7850 121.7657 59.7008 40.1863 174.3737 62 N 5.2736 9.1133 124.2317 51.5269 40.9921 173.4921 63 L 4.9315 9.4595 127.9580 53.7727 43.7806 174.6009 64 Y 5.0721 8.5224 125.7264 57.0256 39.5159 174.8087 65 I 4.8055 8.8662 125.9314 59.6365 40.2082 174.8739 66 N 5.3666 9.4428 125.8200 51.8129 39.8968 170.8132 67 S 5.0987 9.7149 116.2562 55.5238 65.3934 172.1972 68 P 4.4843 0.0000 0.0000 63.3646 32.1318 175.2066 69 G 3.8321 7.3101 107.0538 45.3618 0.0000 171.6072 70 G 4.4617 8.5278 104.6685 42.8654 0.0000 172.9427 71 A 4.4280 8.2332 122.8359 50.9505 19.5639 179.2202 72 V 3.6822 8.3563 121.7689 65.9177 31.9809 177.6609 73 T 4.0543 7.8555 109.1752 64.5625 69.2872 175.7515 74 S 4.2415 8.1824 117.9154 61.2761 63.2312 176.9431 75 A 4.2981 7.7141 124.3848 51.6993 17.6485 179.3040 *77 A 4.3022 8.1897 124.3229 53.8766 20.7409 180.1859 78 I 3.7130 7.3912 114.6727 64.6380 37.2162 177.4673 79 Y 4.2283 8.0908 119.2793 61.0733 38.8702 177.8383 80 D 4.5512 8.2818 118.9902 57.5157 40.9435 178.9379 81 T 3.9494 7.8797 114.9135 64.6091 69.0374 175.8439 *83 Q 4.1477 8.0653 121.1540 55.7599 30.8630 176.6603 84 F 4.4000 8.2318 119.6103 60.8310 39.6547 176.5340 85 V 3.7975 7.6644 112.7142 60.6731 31.9760 176.3519 86 K 3.9572 8.6054 124.8552 58.9505 32.2710 176.1192 87 P 4.4804 0.0000 0.0000 62.1399 32.2075 176.4341 88 D 4.4097 8.7164 122.7252 54.6864 42.2914 175.5212 89 V 4.6475 8.2910 122.9177 61.1856 33.2167 174.4099 90 R 4.7238 9.0483 130.7386 56.2491 30.9343 174.9939 91 T 5.1202 8.8505 116.6724 59.8195 71.5886 172.7721 92 L 5.0989 9.0492 127.5859 53.2950 45.3981 174.5261 93 C 4.9536 9.1890 128.0590 58.2092 31.7910 173.9555 94 I 3.4294 8.2891 121.7426 63.7190 37.5939 176.3513 95 G 4.0911 8.3434 107.7567 45.8694 0.0000 171.5887 96 Q 5.2530 9.0869 118.3258 53.3473 32.6464 174.6866 97 A 4.8825 9.0061 124.2776 49.8135 21.0033 176.1652 98 A 4.2344 8.9289 124.4356 51.3274 21.5736 176.7814 99 S 4.0596 8.4714 111.6380 61.9911 61.5498 176.5725 100 A 4.0671 7.9863 122.4575 55.2842 18.1176 179.6608 101 G 3.5713 8.0647 103.3703 47.8963 0.0000 175.4635 102 A 3.9737 8.8079 124.3776 54.6744 18.3270 179.2862 103 L 3.8425 7.9436 118.7831 58.5518 41.9176 179.4122 104 L 4.1191 7.3151 116.3986 57.5132 41.6937 178.9272 105 L 4.0784 8.3171 120.5236 58.2692 41.8891 179.0360 106 A 4.5991 7.7729 120.9429 53.9422 18.3818 178.8164 107 G 3.9151 7.8118 102.2899 44.2294 0.0000 173.9420 108 G 3.9725 7.1784 108.3702 45.5266 0.0000 173.6629 109 A 4.3170 8.8381 122.3868 51.6428 19.5827 177.5101 110 K 4.0240 8.6257 120.4380 57.9609 32.4274 177.9358 111 G 4.0175 9.2953 111.9315 45.6973 0.0000 173.4553 112 K 4.7838 8.2318 119.7460 56.2778 33.6338 175.6662 113 R 4.9885 7.9695 118.5432 53.8801 33.2344 175.1223 114 H 5.7638 9.1819 119.3031 54.6523 34.1533 171.9477 115 C 5.2852 8.0335 113.8842 55.7969 34.0718 172.4746 116 L 4.9056 8.2213 118.6296 52.5497 43.3691 176.6163 117 P 4.1721 0.0000 0.0000 65.5466 31.2626 177.4333 118 H 4.8052 7.9222 111.6743 55.2844 29.2397 174.5392 119 S 4.4737 7.6229 115.7236 59.2529 63.6711 174.0130 120 S 4.6383 9.3456 117.9997 56.8555 64.5125 173.5044 121 V 5.1321 8.2206 126.2303 60.3399 34.6626 174.1098 *123 I 4.2338 7.9795 114.9517 61.1923 38.8749 174.2097 124 H 5.3418 8.2460 118.3325 54.3480 31.7148 172.9703 125 Q 4.3192 8.5987 117.7884 55.7240 29.3342 176.6806 126 V 3.7764 8.3204 113.3714 61.6336 32.2044 175.8878 127 L 4.7531 7.8478 122.2850 53.1948 44.4520 176.9623 128 G 4.0048 7.5461 105.9495 48.1476 0.0000 172.9813 129 G 4.3772 8.1033 113.4567 45.9825 0.0000 170.8632 130 Y 4.7245 7.7690 119.9242 56.0574 41.8529 173.9040 131 Q 4.3853 7.6326 124.1463 52.8277 32.4426 175.6685 132 G 3.9601 8.0451 110.7661 45.6376 0.0000 172.2180 133 Q 4.3297 8.2421 119.4714 55.2424 30.8715 176.8016 134 G 3.9877 8.7404 110.6557 48.7889 0.0000 175.8194 135 T 3.9077 8.0660 118.1008 66.5868 68.4613 176.1445 136 D 4.3231 8.0497 119.9182 57.0845 40.9131 178.5674 137 I 3.6684 8.0697 120.7013 64.5859 37.1001 178.4799 138 Q 3.9593 8.1665 118.7386 58.9945 28.0714 178.8074 139 I 3.6456 7.4515 120.4030 64.5596 37.0352 178.0676 140 H 4.1605 8.1560 116.6048 58.0088 28.6576 177.5042 141 A 3.9922 8.1676 123.0363 55.2352 18.1902 179.8286 142 K 3.8921 7.9849 116.8946 59.6230 32.0584 179.4130 143 Q 3.9229 7.7481 119.2238 59.4754 28.8885 178.3186 144 T 3.8531 8.3390 117.2630 66.6043 68.3536 176.3771 145 Q 3.9159 8.1565 121.5625 58.9789 29.0438 178.0632 146 R 3.8399 8.0731 119.8171 59.5838 30.1036 178.6589 147 V 3.8222 7.8692 119.2968 65.4691 31.3724 177.7224 148 S 4.0665 8.3842 113.2705 61.6695 62.1902 176.0177 149 D 4.3454 8.4869 121.8280 57.3971 40.0630 178.6621 150 Q 4.1177 8.4614 119.0565 58.8248 28.6465 178.7148 151 L 3.8916 8.0450 121.2941 58.2496 42.1184 178.7683 152 N 4.3096 7.8680 116.3867 56.4999 38.4135 177.4695 153 Q 4.0093 8.1923 119.3662 58.8575 28.9082 178.8398 154 I 3.6686 7.7989 120.8025 64.4339 37.1525 178.4808 155 L 4.0320 8.0588 119.6023 57.7241 41.4498 179.4900 156 A 4.0551 8.4481 121.1644 54.9239 18.0959 179.4222 157 K 3.7994 7.9998 117.1670 60.1447 32.3657 178.2340 158 H 4.5224 8.0490 114.1798 57.7999 28.9649 177.0820 159 T 4.4941 7.5019 112.1249 61.2157 69.3424 176.0943 160 G 3.9242 8.1858 109.0352 44.7869 0.0000 173.8035 161 K 4.1334 7.3009 118.6354 55.6960 32.9814 177.2515 162 D 4.5162 8.2561 120.7431 54.2224 42.7048 177.8515 163 I 3.7099 8.3241 123.5908 64.6256 37.2719 178.4191 164 E 3.8963 8.0818 119.6984 59.1286 29.5309 178.7446 165 R 3.8745 7.7345 118.4601 59.2792 30.2900 178.5027 166 V 3.6482 7.8682 118.1594 65.8258 31.3037 177.5210 167 E 3.8838 8.1076 118.2381 59.1434 29.6788 178.4806 168 K 4.0376 7.8651 119.1245 59.7410 32.1021 178.4952 169 D 4.0197 7.8361 117.9761 56.9683 40.9602 177.9982 170 T 4.2404 7.7336 108.0493 61.9742 68.9913 175.9601 171 N 4.3111 7.7000 120.5358 55.6693 39.1167 174.2848 172 R 4.7098 7.0192 115.8162 53.5652 34.3908 174.1059 173 D 4.2799 8.6870 118.3044 55.7085 41.2538 176.2086 174 Y 4.6039 8.2938 124.2271 55.6809 40.4879 174.3673 175 F 4.5553 8.5087 125.2398 56.7522 40.5574 175.2180 176 L 4.9389 8.7310 123.3133 52.6707 44.7897 176.7881 177 T 4.1710 8.9998 113.8161 60.7803 69.8223 173.3913 178 P 4.1843 0.0000 0.0000 66.1409 31.2387 178.6794 179 E 3.9422 8.0906 116.3216 59.6296 29.4969 179.1667 180 E 3.9938 8.6532 118.6631 59.3327 29.5656 179.3016 181 A 4.1182 8.2755 121.2058 54.6603 18.2357 179.9248 182 V 3.7857 7.5727 117.6939 65.7825 31.7603 177.5732 183 E 4.0678 8.1630 117.7516 59.4748 29.4752 177.8018 184 Y 4.1532 8.0235 118.9818 58.8038 39.0165 176.1841 185 G 4.1277 8.1715 106.5295 45.0644 0.0000 175.3565 186 L 4.0890 8.2418 120.5127 56.7602 41.7796 176.6259 187 I 4.8329 7.4357 109.8950 59.1930 40.8975 175.0873 188 D 4.7540 8.7718 120.5165 56.0024 42.0567 177.1101 189 S 4.6449 7.6000 110.4381 57.2399 66.7705 172.8704 190 I 4.7059 8.1287 120.9606 59.6206 39.0180 175.1459 191 F 4.9366 8.2478 125.7950 56.4333 39.5679 175.9483 192 K 4.0881 9.1586 125.9662 58.7411 32.5353 176.2782 193 E 4.7436 7.6278 115.8894 53.5002 32.9289 175.7199 194 R 3.5087 8.5570 120.1263 56.2378 30.2896 174.5532 195 P 4.2272 0.0000 0.0000 62.9844 31.2248 176.0351 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 3 V 8.15 4.13 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 0.90 0.00 0.00 0.93 0.00 0.00 4 L 8.00 4.06 0.00 1.74 1.61 0.92 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 5 V 8.33 3.88 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.74 0.00 0.00 0.84 0.00 0.00 6 P 0.00 4.43 0.00 2.06 2.03 0.00 3.68 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.10 0.00 *8 V 8.06 3.89 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 0.79 0.00 0.00 0.94 0.00 0.00 9 V 8.12 4.04 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 0.69 0.00 0.00 0.88 0.00 0.00 10 E 7.62 4.55 0.00 1.87 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 2.19 2.31 0.00 *19 Y 7.83 4.44 0.00 2.92 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 20 D 8.26 4.85 0.00 2.97 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 21 I 7.51 3.53 1.65 0.00 0.00 0.74 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 0.90 0.26 0.00 0.00 22 Y 7.75 4.25 0.00 3.19 2.91 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 23 S 7.85 4.30 0.00 4.36 4.21 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 24 R 8.00 3.48 0.00 1.58 1.95 0.00 2.77 0.00 0.00 2.64 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.56 0.00 25 L 7.96 4.08 0.00 1.90 1.83 1.07 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 26 L 7.89 4.32 0.00 2.10 2.02 1.19 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 27 K 7.73 4.21 0.00 1.76 1.83 0.00 1.75 0.00 0.00 1.55 0.00 0.00 3.11 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.49 1.61 7.81 28 D 7.69 4.76 0.00 2.79 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 29 R 8.27 3.91 0.00 1.98 2.00 0.00 3.06 0.00 0.00 3.07 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.53 0.00 30 V 7.72 4.55 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 0.44 0.00 0.00 0.71 0.00 0.00 31 I 8.62 4.76 1.86 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 1.29 0.59 0.94 0.00 0.00 32 F 8.99 4.80 0.00 2.63 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 33 L 9.02 4.62 0.00 1.75 1.58 0.94 0.87 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 34 V 7.37 5.18 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 1.39 0.00 0.00 0.95 0.00 0.00 35 G 8.73 3.82 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 Q 8.42 4.27 0.00 1.97 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.30 7.01 0.00 0.00 0.00 0.00 0.00 2.38 2.32 0.00 37 V 8.79 3.96 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 0.97 0.00 0.00 0.95 0.00 0.00 38 E 8.49 5.08 0.00 1.94 1.88 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 2.18 2.59 0.00 39 D 9.03 4.49 0.00 2.75 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 40 H 9.02 4.10 0.00 3.18 3.63 0.00 5.81 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *42 A 8.04 4.28 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 N 8.26 4.39 0.00 2.70 2.85 0.00 0.00 7.11 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 44 L 7.75 3.93 0.00 1.59 1.68 0.87 1.05 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 45 A 7.86 3.97 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 46 I 7.81 3.80 2.02 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 1.48 0.76 0.93 0.00 0.00 47 A 8.28 4.24 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 48 Q 8.00 4.10 0.00 2.38 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.33 0.00 0.00 0.00 0.00 0.00 2.43 2.51 0.00 *50 L 7.95 4.35 0.00 1.98 1.85 0.98 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 51 F 8.42 4.28 0.00 3.15 3.31 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 52 L 8.07 3.61 0.00 1.73 1.63 0.95 0.54 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 53 E 8.06 3.83 0.00 1.92 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 0.00 2.24 2.30 0.00 54 S 7.65 4.20 0.00 3.94 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 55 E 7.73 4.22 0.00 1.79 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 0.00 1.55 1.61 0.00 56 N 8.03 4.52 0.00 2.60 2.58 0.00 0.00 7.03 7.73 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 57 P 0.00 4.18 0.00 2.16 2.10 0.00 3.75 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 1.94 1.94 0.00 58 N 8.07 4.66 0.00 2.82 2.87 0.00 0.00 6.99 7.74 0.00 0.00 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 K 7.36 4.26 0.00 1.73 1.72 0.00 1.71 0.00 0.00 1.68 0.00 0.00 2.94 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.45 1.39 7.81 60 D 8.76 4.73 0.00 2.55 2.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 I 8.78 4.50 1.87 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 1.21 0.81 0.91 0.00 0.00 62 N 9.11 5.27 0.00 2.41 2.79 0.00 0.00 6.31 6.29 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 63 L 9.46 4.93 0.00 1.73 1.71 0.99 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 64 Y 8.52 5.07 0.00 2.03 2.38 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 65 I 8.87 4.81 1.88 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 1.13 1.45 0.93 0.00 0.00 66 N 9.44 5.37 0.00 2.85 2.74 0.00 0.00 6.18 6.70 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 67 S 9.71 5.10 0.00 3.87 3.67 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 68 P 0.00 4.48 0.00 2.25 2.18 0.00 3.98 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 1.98 1.98 0.00 69 G 7.31 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 70 G 8.53 4.46 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 0.00 71 A 8.23 4.43 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 72 V 8.36 3.68 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 0.82 0.00 0.00 0.92 0.00 0.00 73 T 7.86 4.05 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 1.22 0.00 0.00 74 S 8.18 4.24 0.00 4.04 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 75 A 7.71 4.30 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 *77 A 8.19 4.30 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 78 I 7.39 3.71 2.05 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.74 0.95 0.00 0.00 79 Y 8.09 4.23 0.00 2.93 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 80 D 8.28 4.55 0.00 2.78 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 81 T 7.88 3.95 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 1.28 0.00 0.00 *83 Q 8.07 4.15 0.00 1.99 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 7.09 0.00 0.00 0.00 0.00 0.00 1.76 1.89 0.00 84 F 8.23 4.40 0.00 2.98 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 85 V 7.66 3.80 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 0.87 0.00 0.00 0.98 0.00 0.00 86 K 8.61 3.96 0.00 1.60 1.87 0.00 1.73 0.00 0.00 1.64 0.00 0.00 2.92 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.39 1.33 7.81 87 P 0.00 4.48 0.00 1.95 2.20 0.00 3.63 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.10 0.00 88 D 8.72 4.41 0.00 2.81 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 89 V 8.29 4.65 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 1.06 0.00 0.00 0.97 0.00 0.00 90 R 9.05 4.72 0.00 1.99 2.02 0.00 3.39 0.00 0.00 3.44 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.89 0.00 91 T 8.85 5.12 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 1.30 0.00 0.00 92 L 9.05 5.10 0.00 1.70 1.27 0.86 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 93 C 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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 1.20 0.00 0.00 136 D 8.05 4.32 0.00 2.98 2.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 137 I 8.07 3.67 2.07 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.05 0.96 0.00 0.00 138 Q 8.17 3.96 0.00 2.19 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.80 0.00 0.00 0.00 0.00 0.00 2.62 2.53 0.00 139 I 7.45 3.65 1.85 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 1.45 1.06 0.72 0.00 0.00 140 H 8.16 4.16 0.00 2.81 3.21 0.00 5.63 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 0.00 141 A 8.17 3.99 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 142 K 7.98 3.89 0.00 1.78 1.84 0.00 1.63 0.00 0.00 1.54 0.00 0.00 2.88 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.43 1.52 7.81 143 Q 7.75 3.92 0.00 2.10 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.79 0.00 0.00 0.00 0.00 0.00 2.32 2.42 0.00 144 T 8.34 3.85 4.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 145 Q 8.16 3.92 0.00 2.15 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.78 0.00 0.00 0.00 0.00 0.00 2.34 2.39 0.00 146 R 8.07 3.84 0.00 1.90 2.07 0.00 3.13 0.00 0.00 3.25 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.63 0.00 147 V 7.87 3.82 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 1.06 0.00 0.00 0.97 0.00 0.00 148 S 8.38 4.07 0.00 3.95 4.03 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 0.00 149 D 8.49 4.35 0.00 2.83 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 0.00 150 Q 8.46 4.12 0.00 2.18 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.81 0.00 0.00 0.00 0.00 0.00 2.36 2.60 0.00 151 L 8.05 3.89 0.00 1.70 1.78 0.85 0.52 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 0.00 152 N 7.87 4.31 0.00 2.85 2.84 0.00 0.00 7.09 8.03 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 0.00 153 Q 8.19 4.01 0.00 2.08 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.81 0.00 0.00 0.00 0.00 0.00 2.37 2.57 0.00 154 I 7.80 3.67 1.77 0.00 0.00 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 1.10 0.34 0.00 0.00 155 L 8.06 4.03 0.00 1.84 1.79 0.92 0.57 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 0.00 156 A 8.45 4.06 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 157 K 8.00 3.80 0.00 1.82 2.11 0.00 1.82 0.00 0.00 1.76 0.00 0.00 2.96 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.28 1.44 7.81 158 H 8.05 4.52 0.00 3.27 3.53 0.00 5.70 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 159 T 7.50 4.49 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 1.45 0.00 0.00 160 G 8.19 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 0.00 161 K 7.30 4.13 0.00 1.64 1.59 0.00 1.42 0.00 0.00 1.45 0.00 0.00 2.13 0.00 0.00 2.60 0.00 0.00 0.00 0.00 1.07 0.66 7.81 162 D 8.26 4.52 0.00 2.65 2.55 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 0.00 163 I 8.32 3.71 1.85 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 1.51 0.57 0.90 0.00 0.00 164 E 8.08 3.90 0.00 2.01 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 2.36 2.35 0.00 165 R 7.73 3.87 0.00 1.92 2.05 0.00 3.26 0.00 0.00 3.24 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.70 0.00 166 V 7.87 3.65 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 0.97 0.00 0.00 1.00 0.00 0.00 167 E 8.11 3.88 0.00 2.12 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 0.00 2.30 2.30 0.00 168 K 7.87 4.04 0.00 1.87 1.88 0.00 1.67 0.00 0.00 1.62 0.00 0.00 2.94 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.39 1.45 7.81 169 D 7.84 4.02 0.00 2.58 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 0.00 0.00 0.00 170 T 7.73 4.24 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 1.16 0.00 0.00 171 N 7.70 4.31 0.00 2.73 2.93 0.00 0.00 6.88 9.00 0.00 0.00 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 R 7.02 4.71 0.00 1.80 1.79 0.00 3.32 0.00 0.00 3.24 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.62 0.00 173 D 8.69 4.28 0.00 2.56 2.39 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 0.00 174 Y 8.29 4.60 0.00 3.07 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 0.00 175 F 8.51 4.56 0.00 2.87 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 0.00 176 L 8.73 4.94 0.00 1.46 1.41 0.74 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 177 T 9.00 4.17 4.21 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 1.22 0.00 0.00 178 P 0.00 4.18 0.00 2.14 2.13 0.00 3.57 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.18 0.00 179 E 8.09 3.94 0.00 2.04 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 2.39 2.45 0.00 180 E 8.65 3.99 0.00 2.16 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 2.34 2.33 0.00 181 A 8.28 4.12 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 0.00 182 V 7.57 3.79 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 0.96 0.00 0.00 0.95 0.00 0.00 183 E 8.16 4.07 0.00 2.02 2.29 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 2.39 2.44 0.00 184 Y 8.02 4.15 0.00 3.25 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 0.00 185 G 8.17 4.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 186 L 8.24 4.09 0.00 1.91 1.76 0.81 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 0.00 0.00 0.00 0.00 0.00 0.00 187 I 7.44 4.83 1.91 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.93 0.87 0.00 0.00 188 D 8.77 4.75 0.00 2.55 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 0.00 189 S 7.60 4.64 0.00 3.84 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 0.00 190 I 8.13 4.71 1.84 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 1.28 0.58 0.92 0.00 0.00 191 F 8.25 4.94 0.00 2.91 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 0.00 192 K 9.16 4.09 0.00 1.73 1.86 0.00 1.63 0.00 0.00 1.72 0.00 0.00 3.13 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.44 1.54 7.81 193 E 7.63 4.74 0.00 1.90 1.78 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 2.19 2.31 0.00 194 R 8.56 3.51 0.00 1.67 1.79 0.00 3.20 0.00 0.00 3.22 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.45 0.00 195 P 0.00 4.23 0.00 1.98 1.59 0.00 3.21 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.62 0.00 * Residues marked with a * may have inaccurate shift predictions.