NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -1 N 4.6386 8.4201 118.1236 53.1473 40.0028 173.3519 0 A 4.6062 8.0508 125.3004 48.7216 21.9237 173.4673 1 R 4.2012 8.5363 120.8227 56.3105 31.5723 175.2090 2 G 4.0058 9.0096 113.2786 46.0932 0.0000 172.6424 3 R 4.6602 9.5799 120.1686 54.0908 32.8914 175.1795 4 L 5.0613 8.5039 125.2296 53.5215 44.1283 174.5206 5 K 4.9275 9.1258 128.8021 54.0968 34.2096 174.8633 6 V 4.6904 8.0967 127.1789 61.2893 34.0948 174.2525 7 F 4.7934 9.5415 128.0712 56.4310 39.9212 174.4088 8 L 4.9925 9.1610 127.7377 53.8432 43.7077 175.6609 9 G 4.5906 9.0175 111.7146 44.4612 0.0000 173.2749 10 A 4.0955 8.8210 122.3176 54.4860 18.8743 177.3575 11 A 4.5595 7.4535 115.9366 50.7692 21.8412 173.6469 12 P 4.5412 0.0000 0.0000 64.2669 31.7700 177.3164 13 G 4.1831 9.0603 109.2184 45.7434 0.0000 174.9982 14 V 3.8162 7.1595 112.0212 62.4043 32.1121 177.0433 15 G 4.1937 8.3690 108.8944 45.5219 0.0000 175.9063 16 K 4.0201 8.2857 119.9506 59.7048 32.3396 178.8613 17 T 3.9320 7.9968 113.5597 66.7716 68.9946 175.0821 18 Y 3.9859 8.2812 121.7627 60.7205 39.0164 178.4323 19 A 4.0503 8.5366 120.6539 54.1377 17.9483 178.9887 21 L 3.3102 7.7238 118.1712 58.7615 42.0599 177.8351 22 Q 3.8381 7.6654 121.0470 58.7038 28.6027 178.3914 23 A 4.0905 8.0540 121.6023 55.2236 18.4955 179.3285 24 A 3.9663 8.2586 118.7345 55.9794 18.3888 179.5043 25 H 4.0908 8.5399 114.3123 58.7562 28.5760 177.9653 26 A 4.0419 8.1926 122.8746 55.1558 18.1787 179.6910 27 Q 3.9698 8.1381 116.5839 58.9904 28.7747 178.7771 28 L 4.0779 7.9711 121.3396 58.3055 41.9348 179.2146 29 R 4.0368 7.9970 116.8770 58.9808 29.9509 177.9595 30 Q 4.4642 7.4999 116.1256 55.5614 28.8365 176.7770 31 G 3.8996 7.8690 107.9685 45.1894 0.0000 174.3178 32 V 3.6311 7.4054 120.1482 62.8238 32.3595 176.7085 33 R 4.1640 8.6883 126.7385 56.1423 29.8090 175.8702 34 V 4.8364 8.1595 123.4147 60.1008 34.6573 174.2720 *36 A 3.9500 8.2878 123.0224 52.1252 19.2611 177.3788 37 G 3.7342 9.1055 111.1443 48.2398 0.0000 174.9208 38 V 4.4690 7.2947 120.4604 60.3298 34.4712 172.6765 39 V 4.6998 8.3253 124.9880 61.0277 34.3612 174.2940 40 E 4.3468 9.4269 128.8608 55.1484 29.7193 176.0883 41 T 4.1202 8.3223 114.5489 61.8396 69.8749 174.5130 42 H 3.6744 9.0608 118.4173 56.7317 26.3439 175.3728 43 G 3.9889 8.2432 107.3769 45.9540 0.0000 174.9706 44 R 4.0818 7.8756 119.7939 55.6247 30.8716 177.1422 45 A 4.1780 8.6980 126.7886 55.2602 18.3894 179.1000 46 E 4.0495 8.1681 115.6056 59.7146 29.7818 179.4093 47 T 4.0515 7.9218 116.3233 66.3884 68.7853 176.3824 48 E 3.9492 8.4525 120.4854 59.5014 29.2519 179.4373 49 A 4.0052 7.9034 119.5977 55.1225 18.6460 179.3247 50 L 4.0074 7.6743 117.6570 57.8703 41.6649 179.5038 51 L 3.9494 8.0513 120.2317 58.2573 41.8140 178.6878 52 N 4.6334 8.2345 115.1229 55.2944 38.4869 176.0012 53 G 4.0233 7.4553 108.2131 45.4601 0.0000 173.3628 54 L 4.7635 7.5679 118.9923 51.5614 45.0902 174.8921 55 P 4.3647 0.0000 0.0000 63.1965 31.8822 175.7604 56 Q 4.7308 8.2921 119.5396 54.1729 32.4190 174.2926 57 Q 4.4705 8.4118 124.8769 53.8471 30.0022 173.6439 58 P 4.4508 0.0000 0.0000 62.7171 32.1050 176.3491 59 L 4.4003 8.3592 122.6355 54.6321 42.9511 176.5340 60 L 4.2868 8.9132 123.1213 54.3933 42.7815 175.8041 61 R 5.0795 8.5873 125.1578 55.3287 31.4032 175.3019 62 T 4.8446 9.1419 115.6757 60.1520 72.9729 172.1354 63 E 4.9857 8.7229 121.4365 54.9582 31.6126 175.3911 64 Y 4.5906 8.4281 124.4436 57.4244 41.7451 174.7606 65 R 3.3641 9.0723 127.9205 57.4705 27.7303 176.9397 66 G 3.6749 7.7079 105.5029 46.1276 0.0000 171.2181 *68 T 4.3530 7.8527 117.9489 63.6107 70.0461 172.8897 69 L 4.8934 9.2595 126.5877 52.9000 44.7182 175.3901 70 E 5.2927 8.7994 121.6495 54.1869 32.8869 173.0328 71 E 4.4986 8.9350 123.4944 56.3109 32.2713 176.8569 *73 D 4.2413 8.9498 112.4839 53.1624 41.5738 173.9419 74 L 3.9318 8.1135 125.1789 58.1833 42.4163 177.7562 75 D 4.3216 8.0883 117.6723 57.3896 40.8162 178.5319 76 A 4.0167 8.2109 121.1354 55.0206 18.3280 179.7603 77 L 3.9316 7.9929 117.5793 57.8955 41.4975 179.5348 78 L 3.9729 7.9738 118.1610 57.8015 41.6349 179.3179 79 K 4.0721 7.8267 118.0611 59.3922 32.2614 178.5236 80 A 3.9713 8.4209 120.2571 52.6988 19.3516 177.1080 81 A 3.6305 7.8399 119.3044 52.7224 16.3869 174.1134 82 P 4.5253 0.0000 0.0000 62.2272 33.1903 176.8427 83 S 4.3484 8.7316 113.0694 60.2349 63.5040 173.6595 84 L 5.1523 7.6469 121.0164 53.1336 45.4642 175.1605 85 V 4.4234 8.7267 126.0279 61.0187 34.6031 173.9439 86 L 4.9802 8.3637 127.2099 53.8047 43.6902 175.8340 87 V 4.6345 9.2058 123.8749 60.7221 33.1348 173.9055 88 D 4.6206 9.1088 126.6232 54.9422 41.8514 175.5536 89 E 3.7169 8.9160 121.0443 56.7005 26.5552 175.1128 90 L 4.0079 8.8656 122.6733 57.5560 42.7127 177.5463 91 A 4.5663 7.8501 118.6394 52.1538 19.2478 176.3523 92 H 4.4749 8.1731 118.3862 56.9046 31.0548 174.2727 93 T 4.7098 8.6677 122.9053 62.5420 69.1939 174.7961 94 N 4.8771 9.1290 124.3588 52.4098 39.7545 175.1180 95 A 3.8970 9.2395 124.3488 51.8471 19.0406 175.9037 96 P 4.1542 0.0000 0.0000 64.3380 31.7437 177.1116 97 G 3.9665 8.7091 110.0566 45.2735 0.0000 174.1885 98 S 4.2351 7.2247 115.2669 58.0667 63.4453 174.2280 99 R 3.9114 8.6288 123.9954 59.0098 29.8903 176.4178 100 H 4.9668 7.5483 112.3699 53.7658 31.6201 174.1751 101 T 3.9423 8.5411 119.6360 65.8052 68.8081 174.5227 102 K 4.8605 7.9703 119.9089 53.7696 35.0721 177.1646 103 R 3.9334 8.9500 123.4519 59.3452 29.9355 179.0327 104 W 4.3125 8.1957 116.0618 59.6737 27.9464 178.2419 105 Q 3.6440 7.2102 118.9668 58.4016 28.0620 178.0677 106 D 4.3295 7.7833 119.5010 57.5251 40.8668 178.5926 107 I 3.7366 7.9355 120.1926 64.7643 37.0901 178.2847 108 Q 4.0592 8.2594 118.6161 59.2204 28.3274 178.9195 109 E 3.9492 7.9777 119.8207 59.0904 29.6426 178.9215 110 L 4.0182 7.8298 118.9568 57.7703 41.6870 179.3748 111 L 4.1510 8.2597 118.9681 57.8498 41.3329 179.4111 112 A 4.0313 8.1283 119.6201 54.7895 18.3600 178.5671 113 A 4.3676 7.4387 116.4990 52.1181 18.9138 178.2327 114 G 4.0157 7.9920 105.7971 46.0886 0.0000 173.3125 115 I 4.2540 7.5610 121.5410 60.1075 38.6550 175.2353 116 D 4.8756 8.7534 127.1769 54.1796 42.3700 175.5900 117 V 4.8960 8.9733 121.4841 61.4826 35.1602 173.6358 118 Y 5.5962 8.8202 125.0311 56.9950 40.5753 174.6798 119 T 5.9500 9.4804 116.9165 60.4636 72.0035 172.1323 120 T 5.4943 8.4387 113.2956 60.1097 72.6205 173.1512 121 V 4.8041 8.3997 121.5381 60.7959 35.1944 173.2788 122 N 5.1749 9.0217 121.8963 52.5713 39.7440 176.7203 123 V 3.7002 8.7151 122.3264 64.5319 31.5856 178.3504 124 Q 4.1006 8.1425 117.5257 58.7951 28.4877 176.9900 125 H 4.5596 7.9622 115.5246 56.7800 29.5840 175.2775 126 L 4.3958 7.7357 120.7446 54.8062 42.0629 177.0580 127 E 3.9504 9.4376 125.8786 59.8087 29.3123 179.5327 128 S 4.2877 8.3606 112.0696 60.7389 63.1966 175.2979 129 L 4.4306 7.7535 120.9664 54.5068 41.7098 177.6384 130 N 4.2734 8.0874 118.9683 57.0553 38.8343 176.4384 131 D 4.3259 8.0036 119.5365 57.2270 41.0474 178.0919 132 Q 3.9246 8.1143 119.6619 59.4238 28.8846 178.7128 133 V 3.5383 7.9209 119.0237 66.0318 31.5628 177.9443 134 R 4.3523 7.5705 119.9550 58.9192 29.6940 178.7836 135 G 3.6959 8.1779 104.9659 47.5603 0.0000 175.7266 136 I 3.8472 7.6919 121.5251 64.2394 37.3811 177.9340 137 T 4.2659 8.0111 108.1487 61.0653 69.4862 175.9899 138 G 3.8917 8.3284 108.9490 45.4548 0.0000 173.2528 139 V 4.2417 7.6333 120.2471 60.9592 32.9860 174.3661 140 Q 4.2681 8.5284 128.0496 55.0582 29.5320 174.9860 141 V 4.0253 8.3789 125.8151 62.3224 31.8514 175.3521 142 R 4.3071 8.6285 126.1958 56.8176 31.2044 176.1801 143 E 4.4839 8.1726 117.4659 55.1880 29.6856 174.9928 144 T 5.0399 8.3646 113.3578 59.6255 72.4735 172.9685 145 L 4.7903 8.8286 123.7518 52.4053 45.2646 173.8593 146 P 4.7512 0.0000 0.0000 62.0874 32.0780 177.1845 147 D 4.3220 9.0488 124.0408 57.2054 41.4683 178.4022 148 W 4.3701 8.5220 128.5573 60.5527 30.6667 177.7484 149 V 3.3333 7.3410 116.3722 65.8272 31.1335 177.0591 150 L 4.1265 7.7932 119.1272 56.6748 41.8282 179.1469 151 Q 3.8617 7.6115 117.0941 58.5850 28.5061 177.0913 152 E 4.0205 7.5985 113.5229 55.9405 30.3937 176.1942 153 A 3.8920 7.1361 122.6077 52.9900 18.8063 176.5427 154 F 4.4317 9.5962 125.3384 57.4863 40.2981 175.4840 155 D 4.1533 8.1968 128.9301 54.4193 37.5245 174.0981 156 L 4.1157 7.8777 119.6359 55.9983 42.9011 176.6916 157 V 4.3581 8.4306 124.8305 59.6763 34.5790 174.1199 158 L 4.7874 8.5605 126.6886 54.4073 43.0013 175.3863 159 I 4.5225 8.7723 128.0610 59.7165 38.5129 174.7550 160 D 5.0299 8.7340 126.0742 52.3045 43.9162 174.6328 161 L 4.6743 8.0959 125.2084 51.7107 45.3778 174.3278 162 P 4.3593 0.0000 0.0000 61.9171 32.9617 175.4115 163 P 4.2359 0.0000 0.0000 66.0195 31.2408 178.5979 164 R 3.9066 8.0441 116.5629 59.5834 29.9735 177.9857 165 E 3.9530 8.1140 118.5046 59.1300 29.7780 178.2467 166 L 4.0483 8.2563 120.7869 58.2129 42.1450 178.9484 167 L 4.1377 8.6175 119.3399 57.8396 41.5418 179.3872 168 E 3.9930 8.1014 118.3549 59.4181 29.3204 179.5343 169 R 3.9224 7.9845 118.1123 59.0177 30.2328 178.7347 170 L 3.7610 7.9458 120.0213 58.3148 41.8890 178.9174 171 R 3.9059 7.8073 117.0038 59.3744 30.0104 177.1687 172 D 4.7223 7.9204 115.7000 53.8058 41.0391 176.9214 173 G 3.8620 7.8096 107.3118 46.2248 0.0000 174.6744 174 K 4.2534 8.2809 117.8140 55.7438 32.8756 176.6533 175 V 4.1307 7.4859 118.9949 61.0087 31.6509 173.7917 176 Y 4.3057 8.3721 128.8415 56.7800 39.2797 173.4414 177 V 3.8264 6.8399 120.9162 62.0721 40.0774 174.9147 *183 A 4.3622 8.3150 125.8936 52.6542 21.3061 179.1426 184 A 4.1830 7.9733 117.1818 55.4199 18.6335 179.8463 185 I 3.9524 7.7348 110.7753 63.7993 36.4108 177.8649 186 D 4.4198 8.2189 120.6437 57.4738 40.5010 178.3486 187 A 4.2432 7.9390 120.0150 54.6311 18.3796 179.0180 188 F 4.2264 7.6443 115.7056 60.1319 41.2369 176.8454 189 F 4.4355 8.3708 118.4942 56.2666 37.4225 175.1690 190 T 4.7689 7.1770 113.6870 59.1062 73.4361 174.7866 191 Q 3.9827 8.5161 122.5074 59.6149 29.1222 178.7512 192 T 3.8807 7.7534 110.3111 64.8659 69.0513 176.3543 193 N 4.1811 8.1945 119.4958 55.9054 38.5578 177.5028 194 L 3.8293 8.2238 120.7702 57.8033 41.5991 179.7137 195 T 3.8044 7.9530 115.5959 66.6008 68.1861 176.5151 196 A 3.9574 7.6876 121.3383 55.1698 18.4423 179.4223 197 L 4.0100 7.6697 116.6404 57.6152 41.7038 179.2583 198 R 4.0634 7.8441 118.2098 59.1695 30.0272 178.8589 199 E 4.0647 7.7609 115.3699 56.5283 29.6479 176.6964 *201 A 4.1298 7.8119 117.9322 51.6785 20.3422 179.3017 *203 Q 4.2504 8.0187 119.8894 57.8741 31.0395 178.0806 204 T 3.8023 7.9132 113.7241 66.4578 68.3811 176.1864 205 A 3.8955 8.1153 122.5496 55.2013 18.0210 179.2623 206 A 3.9333 8.0350 118.2766 55.6268 18.2357 179.6904 207 A 3.9534 7.9525 117.5566 54.9352 18.4644 179.3258 208 Q 3.9974 7.8532 117.7174 59.1723 29.3010 177.8571 209 V 3.5925 7.2939 118.3157 65.1516 31.4927 175.1780 210 D 4.4601 7.4900 121.4211 54.1064 41.1025 175.4728 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 N 8.42 4.64 0.00 2.70 2.83 0.00 0.00 6.70 6.46 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 A 8.05 4.61 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 1 R 8.54 4.20 0.00 1.83 1.82 0.00 3.25 0.00 0.00 3.22 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.64 0.00 2 G 9.01 4.01 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 0.00 0.00 0.00 3 R 9.58 4.66 0.00 1.64 1.63 0.00 2.68 0.00 0.00 2.25 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.59 1.15 0.00 4 L 8.50 5.06 0.00 1.80 1.57 1.05 0.55 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 5 K 9.13 4.93 0.00 1.87 1.51 0.00 0.96 0.00 0.00 0.61 0.00 0.00 2.56 0.00 0.00 2.53 0.00 0.00 0.00 0.00 0.55 1.05 7.81 6 V 8.10 4.69 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 1.06 0.00 0.00 0.93 0.00 0.00 7 F 9.54 4.79 0.00 2.94 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 8 L 9.16 4.99 0.00 1.72 1.52 0.99 0.86 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 9 G 9.02 4.59 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 10 A 8.82 4.10 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 11 A 7.45 4.56 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 P 0.00 4.54 0.00 2.20 2.10 0.00 3.82 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 2.24 2.14 0.00 13 G 9.06 4.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 V 7.16 3.82 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 0.81 0.00 0.00 1.09 0.00 0.00 15 G 8.37 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 16 K 8.29 4.02 0.00 1.83 1.96 0.00 2.01 0.00 0.00 1.87 0.00 0.00 2.96 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.56 1.56 7.81 17 T 8.00 3.93 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 1.28 0.00 0.00 18 Y 8.28 3.99 0.00 3.07 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 19 A 8.54 4.05 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 21 L 7.72 3.31 0.00 1.69 1.96 0.86 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 0.00 0.00 0.00 0.00 0.00 0.00 22 Q 7.67 3.84 0.00 2.12 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.80 0.00 0.00 0.00 0.00 0.00 1.81 2.30 0.00 23 A 8.05 4.09 1.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 A 8.26 3.97 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 H 8.54 4.09 0.00 3.37 3.35 0.00 5.62 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 26 A 8.19 4.04 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 27 Q 8.14 3.97 0.00 2.24 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.75 0.00 0.00 0.00 0.00 0.00 2.72 2.53 0.00 28 L 7.97 4.08 0.00 1.79 1.79 0.86 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 29 R 8.00 4.04 0.00 1.99 2.00 0.00 3.22 0.00 0.00 3.24 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.89 0.00 30 Q 7.50 4.46 0.00 2.13 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 5.78 0.00 0.00 0.00 0.00 0.00 2.38 2.49 0.00 31 G 7.87 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 V 7.41 3.63 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 0.70 0.00 0.00 0.94 0.00 0.00 33 R 8.69 4.16 0.00 1.77 1.85 0.00 3.13 0.00 0.00 3.24 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.60 0.00 34 V 8.16 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0.00 112 A 8.13 4.03 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 0.00 113 A 7.44 4.37 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 0.00 114 G 7.99 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 I 7.56 4.25 1.98 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 1.37 1.08 0.93 0.00 0.00 116 D 8.75 4.88 0.00 2.68 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 0.00 117 V 8.97 4.90 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 1.01 0.00 0.00 118 Y 8.82 5.60 0.00 3.01 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 0.00 119 T 9.48 5.95 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 1.35 0.00 0.00 120 T 8.44 5.49 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 1.27 0.00 0.00 121 V 8.40 4.80 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.73 0.00 0.00 1.01 0.00 0.00 122 N 9.02 5.17 0.00 2.95 2.86 0.00 0.00 6.89 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 0.00 123 V 8.72 3.70 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 0.77 0.00 0.00 0.94 0.00 0.00 124 Q 8.14 4.10 0.00 2.23 2.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.05 0.00 0.00 0.00 0.00 0.00 2.16 2.13 0.00 125 H 7.96 4.56 0.00 3.22 3.43 0.00 5.63 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 126 L 7.74 4.40 0.00 1.93 1.62 0.99 0.59 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 0.00 127 E 9.44 3.95 0.00 2.21 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 2.34 2.38 0.00 128 S 8.36 4.29 0.00 4.07 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 0.00 129 L 7.75 4.43 0.00 1.86 1.72 0.92 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 130 N 8.09 4.27 0.00 2.91 2.84 0.00 0.00 7.16 8.12 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 0.00 131 D 8.00 4.33 0.00 2.73 2.70 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 0.00 132 Q 8.11 3.92 0.00 2.10 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.90 0.00 0.00 0.00 0.00 0.00 2.40 2.41 0.00 133 V 7.92 3.54 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 1.05 0.00 0.00 0.94 0.00 0.00 134 R 7.57 4.35 0.00 1.95 1.92 0.00 3.21 0.00 0.00 3.29 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.53 0.00 135 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 0.00 136 I 7.69 3.85 1.90 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 1.51 0.53 0.80 0.00 0.00 137 T 8.01 4.27 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 0.82 0.00 0.00 138 G 8.33 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 0.00 139 V 7.63 4.24 2.27 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 1.00 0.00 0.00 1.06 0.00 0.00 140 Q 8.53 4.27 0.00 2.08 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.70 0.00 0.00 0.00 0.00 0.00 2.33 2.30 0.00 141 V 8.38 4.03 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 0.98 0.00 0.00 142 R 8.63 4.31 0.00 1.87 1.99 0.00 3.27 0.00 0.00 3.25 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.66 0.00 143 E 8.17 4.48 0.00 2.03 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 2.27 2.31 0.00 144 T 8.36 5.04 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 1.27 0.00 0.00 145 L 8.83 4.79 0.00 1.76 1.53 0.74 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 146 P 0.00 4.75 0.00 1.87 1.89 0.00 3.22 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.97 0.00 147 D 9.05 4.32 0.00 2.78 2.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 148 W 8.52 4.37 0.00 3.22 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 0.00 149 V 7.34 3.33 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.70 0.00 0.00 -0.22 0.00 0.00 150 L 7.79 4.13 0.00 1.90 1.62 0.89 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 0.00 151 Q 7.61 3.86 0.00 1.98 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.88 0.00 0.00 0.00 0.00 0.00 1.28 1.47 0.00 152 E 7.60 4.02 0.00 1.95 1.77 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 2.09 2.23 0.00 153 A 7.14 3.89 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 0.00 154 F 9.60 4.43 0.00 3.05 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 0.00 155 D 8.20 4.15 0.00 2.89 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 0.00 156 L 7.88 4.12 0.00 1.54 1.49 0.86 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 157 V 8.43 4.36 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 0.15 0.00 0.00 0.88 0.00 0.00 158 L 8.56 4.79 0.00 1.64 1.60 0.96 1.03 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 0.00 159 I 8.77 4.52 1.97 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 1.29 1.21 1.09 0.00 0.00 160 D 8.73 5.03 0.00 2.58 2.52 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 0.00 161 L 8.10 4.67 0.00 1.60 1.50 0.98 0.99 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 0.00 162 P 0.00 4.36 0.00 2.21 1.97 0.00 3.83 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 2.12 2.18 0.00 163 P 0.00 4.24 0.00 2.15 2.12 0.00 3.61 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.16 0.00 164 R 8.04 3.91 0.00 1.88 1.94 0.00 3.18 0.00 0.00 3.27 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.71 0.00 165 E 8.11 3.95 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 2.39 2.37 0.00 166 L 8.26 4.05 0.00 1.87 1.93 1.13 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 167 L 8.62 4.14 0.00 1.91 1.76 1.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 168 E 8.10 3.99 0.00 2.13 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 2.57 0.00 169 R 7.98 3.92 0.00 2.05 1.98 0.00 3.14 0.00 0.00 3.12 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.87 0.00 170 L 7.95 3.76 0.00 1.65 1.77 0.42 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 171 R 7.81 3.91 0.00 1.92 2.14 0.00 3.31 0.00 0.00 3.22 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.68 0.00 172 D 7.92 4.72 0.00 2.88 2.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173 G 7.81 3.86 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 0.00 0.00 0.00 0.00 0.00 0.00 174 K 8.28 4.25 0.00 1.86 1.85 0.00 1.66 0.00 0.00 1.62 0.00 0.00 2.76 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.39 1.34 7.81 175 V 7.49 4.13 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.71 0.00 0.00 0.89 0.00 0.00 176 Y 8.37 4.31 0.00 2.96 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 0.00 177 V 6.84 3.83 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.61 0.00 0.00 0.72 0.00 0.00 *183 A 8.32 4.36 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 0.00 184 A 7.97 4.18 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 0.00 185 I 7.73 3.95 1.86 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 1.53 0.61 0.85 0.00 0.00 186 D 8.22 4.42 0.00 2.99 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 0.00 187 A 7.94 4.24 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 188 F 7.64 4.23 0.00 3.06 3.32 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 0.00 189 F 8.37 4.44 0.00 3.33 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 0.00 190 T 7.18 4.77 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 0.00 191 Q 8.52 3.98 0.00 2.19 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.98 6.96 0.00 0.00 0.00 0.00 0.00 2.42 2.47 0.00 192 T 7.75 3.88 4.20 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 1.19 0.00 0.00 193 N 8.19 4.18 0.00 2.65 2.52 0.00 0.00 7.06 6.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 194 L 8.22 3.83 0.00 1.63 1.63 1.00 0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 195 T 7.95 3.80 4.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 196 A 7.69 3.96 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 197 L 7.67 4.01 0.00 1.50 1.77 0.29 0.58 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 0.00 198 R 7.84 4.06 0.00 1.90 2.10 0.00 3.26 0.00 0.00 3.14 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.63 0.00 199 E 7.76 4.06 0.00 1.99 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 2.30 2.31 0.00 *201 A 7.81 4.13 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 *203 Q 8.02 4.25 0.00 2.14 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.77 6.86 0.00 0.00 0.00 0.00 0.00 2.33 2.47 0.00 204 T 7.91 3.80 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 0.00 205 A 8.12 3.90 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 0.00 206 A 8.03 3.93 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 0.00 207 A 7.95 3.95 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 0.00 208 Q 7.85 4.00 0.00 2.13 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.04 6.90 0.00 0.00 0.00 0.00 0.00 2.29 2.43 0.00 209 V 7.29 3.59 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 0.78 0.00 0.00 0.91 0.00 0.00 210 D 7.49 4.46 0.00 2.72 2.47 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 * Residues marked with a * may have inaccurate shift predictions.