NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 N 4.6772 8.4249 118.1191 52.1110 39.7141 174.0797 4 P 4.0331 0.0000 0.0000 61.6741 32.0052 173.1001 5 E 4.1064 8.4832 123.5532 58.9469 30.7801 176.1012 6 Y 4.9267 6.6946 113.1662 55.5049 40.9943 174.1651 7 D 4.4204 8.9499 121.1033 56.4629 41.9692 176.6397 8 Y 4.8704 7.8707 114.3471 56.1273 42.7814 173.8733 9 L 4.9841 8.7963 124.3560 53.4448 44.3819 175.2200 10 F 5.2468 9.0864 125.8544 55.7816 41.8050 174.7034 11 K 5.2132 9.2907 122.9669 55.2708 34.0564 175.4455 12 L 5.4341 9.4217 124.9694 52.8324 45.5356 175.2258 13 L 5.4393 8.7917 124.1159 53.3524 45.3228 174.8760 14 L 5.1242 8.7875 126.4762 53.5278 43.0000 176.0174 15 I 4.3105 9.7738 116.8559 58.4159 41.4200 174.7648 16 G 3.9466 6.9231 109.9434 43.6621 0.0000 172.3356 17 D 4.8855 8.2266 119.7849 53.9732 41.4378 176.6533 18 S 4.2682 8.6268 117.9444 60.5609 63.1544 175.1793 19 G 4.1044 9.0658 113.0835 45.3706 0.0000 174.6246 20 V 3.7662 7.2309 112.0513 62.6251 31.9543 176.9100 21 G 4.3324 8.5557 109.5054 45.7635 0.0000 176.0002 22 K 3.9227 8.6186 120.6827 59.5213 31.9848 179.1520 23 S 4.2634 8.0379 114.6959 61.8087 62.7554 176.3779 24 C 4.1852 8.1077 118.9386 62.8343 27.9470 175.9737 25 L 4.1307 8.4779 120.9949 57.7140 41.2375 179.3950 26 L 3.9921 8.1034 120.2296 58.2349 42.0465 178.9678 27 L 4.0030 8.2702 119.3178 57.7238 41.6508 179.5069 28 R 4.1204 8.2575 120.0744 58.8412 29.8417 178.4388 29 F 4.1187 8.0512 118.8717 61.3091 39.4652 176.6394 30 A 3.8366 8.1927 119.2372 53.9479 19.1304 178.2356 31 D 4.6636 8.1928 114.7736 52.6236 42.5326 175.7820 32 D 4.9472 7.8960 117.8067 55.5896 39.9513 172.8718 33 T 4.7788 7.0952 103.7582 59.8929 71.6846 172.2307 34 Y 4.8295 8.1014 122.0085 56.5867 41.8668 173.9539 35 T 4.4444 7.2224 119.9527 60.0501 70.4706 173.5653 36 D 4.4144 8.4862 126.7240 56.4284 41.3092 177.2451 37 S 4.2886 7.6506 115.8462 57.9176 63.4449 173.5687 38 Y 4.1824 8.6162 125.0275 57.9255 39.0717 174.9956 39 I 4.0996 7.3672 127.2940 59.2825 39.0287 175.6095 40 S 4.1055 8.0605 120.2782 60.0248 63.5071 174.5789 41 T 4.6093 7.1654 113.0314 59.6767 70.0566 173.3978 42 I 3.7604 8.2415 120.1412 61.9983 37.9620 176.9404 43 G 3.9377 8.8272 110.2541 45.2803 0.0000 173.5324 44 V 4.4434 6.8785 110.6851 59.1947 35.6246 175.3530 45 D 4.5741 8.3621 121.6665 57.2780 40.9259 176.5602 46 F 4.7691 6.6612 110.6910 55.5296 40.7713 173.8056 47 K 4.6327 8.9378 119.0396 54.7085 35.1719 175.3018 48 I 4.9705 8.1589 122.8829 59.6059 39.8043 175.0794 49 R 4.5295 8.7321 126.2637 54.9180 33.8035 173.4933 50 T 5.0728 8.4437 122.2315 62.0180 70.4033 173.7703 51 I 4.7090 8.9281 119.0071 59.1149 41.7348 173.7389 52 S 5.1883 8.6532 116.5121 56.4549 64.5488 173.1394 53 L 4.6342 9.1777 129.1050 54.0122 44.9501 178.7144 54 E 3.8677 9.5313 122.0220 56.3807 28.3285 171.2683 55 N 5.0423 9.3356 111.2235 52.7638 39.2220 175.0576 56 K 4.7967 8.3502 119.5555 55.2102 34.5035 175.0480 57 T 4.8300 9.1537 120.3338 62.6413 70.2643 173.8634 58 V 4.5932 9.0415 126.9272 60.8291 34.2306 174.0796 59 K 4.3767 8.9708 130.5920 55.5427 33.5636 175.0822 60 L 5.1017 8.9446 128.1422 53.1788 44.0156 175.0443 61 Q 4.7581 9.1254 125.9280 54.3214 31.2440 174.1165 62 I 5.1866 8.6127 127.5573 59.3872 40.7501 174.5377 63 W 5.2053 9.4304 126.9498 55.0217 31.5729 176.3684 64 D 5.0056 9.0682 121.5900 53.1980 39.8208 176.1623 65 T 4.5475 7.6221 109.1305 59.6186 71.6301 173.4978 66 A 3.8829 8.2173 125.9449 50.4409 19.2862 179.8537 67 G 4.0486 7.9612 114.2810 45.9058 0.0000 176.5553 *77 S 4.2377 8.7699 121.7681 57.6008 63.5468 172.3108 78 Y 4.0779 8.5438 122.3550 59.8471 38.4933 177.1334 79 Y 4.3620 7.9404 114.2662 57.1984 38.3009 176.4254 80 R 3.5683 8.3811 117.2757 56.0255 28.1316 176.2682 81 G 3.8666 8.1906 103.8619 46.1479 0.0000 174.3012 82 A 4.2384 7.9332 121.9928 52.4425 19.1543 178.5917 83 H 4.4938 9.2844 119.0498 57.8690 30.3078 175.8080 84 G 4.5237 7.9602 104.1477 44.4894 0.0000 171.6557 85 I 5.0950 9.0660 124.0145 59.3184 40.5853 174.5445 86 I 4.5828 8.7754 128.9525 60.0788 38.7481 174.8976 87 I 4.5694 8.7565 129.7811 60.0307 38.1963 174.9857 88 V 4.9209 8.8500 128.4335 61.2638 33.7151 174.1633 89 Y 4.9647 8.8696 125.0134 55.2845 42.2241 173.4312 90 D 4.9658 9.0765 119.4789 52.4944 42.6509 177.5330 91 V 3.8682 8.7881 120.4998 63.9076 31.7281 177.5943 92 T 4.5246 8.3928 108.4162 61.0416 68.9773 174.9713 93 D 4.6965 8.3484 122.1372 51.7697 42.9757 175.1049 94 R 4.0163 8.5918 127.4956 59.4531 30.1111 177.3674 95 D 4.3858 8.3240 117.5340 57.4401 41.0716 178.2587 96 S 4.7044 7.9689 115.1099 60.8185 63.1727 176.1788 97 F 4.1384 8.0609 123.9418 61.2872 39.3283 176.7467 98 D 4.1418 8.3300 118.6984 57.6753 40.7025 178.7397 99 N 4.4468 8.4863 116.0629 55.2754 38.4002 177.2341 100 V 3.8753 7.6061 120.1818 66.2102 31.4179 177.8231 101 K 3.7991 7.7248 117.4321 59.6092 31.9174 179.0627 102 Q 3.8293 7.7830 118.9842 58.8434 29.0603 177.5952 103 W 4.5727 7.9721 120.0406 60.1553 29.1075 178.4838 104 I 3.7091 8.2462 119.6575 64.4744 36.0476 177.9568 105 Q 3.9382 7.9985 120.3348 59.6109 28.7360 178.7842 106 E 4.2423 8.4227 119.1996 59.3583 29.4468 179.2055 107 I 3.1612 8.0576 119.9735 64.6175 37.0456 178.3253 108 D 4.2615 8.2062 118.0204 56.7398 40.5862 178.3071 109 R 3.9622 7.1321 116.4690 57.0431 30.7369 176.6592 110 Y 4.7366 7.7059 112.5460 57.4568 39.8122 175.4290 111 A 4.4251 7.6636 123.3029 50.3186 20.7205 176.5782 112 M 4.0760 8.4293 120.1226 56.4109 32.4479 178.4623 113 E 3.9702 8.9130 118.5399 58.6398 29.8648 176.8624 114 N 5.0443 7.7846 114.6953 52.3108 39.3931 174.8179 115 V 3.6912 7.3867 118.0724 62.5073 31.7421 175.6362 116 N 4.7172 8.8510 121.1482 53.0272 39.9399 174.2805 117 K 4.9589 8.4256 120.0425 54.6250 36.2783 175.4247 118 L 4.7475 8.6532 124.5827 53.2434 45.8829 174.6375 119 L 5.0312 8.9144 128.4510 54.0017 43.8787 175.0776 120 V 4.6896 9.1588 126.7647 61.0413 34.4729 174.3542 121 G 3.2761 8.5091 116.0591 44.6431 0.0000 172.5496 122 N 5.0965 8.7139 126.1544 51.5748 41.5976 174.8311 123 K 4.2175 8.5832 117.7570 57.6254 28.9474 177.7718 124 C 4.4244 8.0931 113.5568 59.6391 29.6467 174.2621 125 D 4.3621 7.9240 119.9218 55.8636 40.1029 176.9793 126 L 4.4100 7.8007 123.1885 53.4657 40.3325 177.9654 127 V 3.6903 7.5089 115.0276 64.3001 32.3128 179.3881 128 S 4.2965 8.0178 113.0421 60.1786 62.9128 174.7926 129 K 4.3674 7.9506 119.3093 55.8935 32.5382 176.2012 130 R 4.3476 7.4649 119.4309 56.5894 30.3122 176.4002 131 V 4.3196 8.6725 116.8664 60.6167 33.9480 175.6748 132 V 4.2416 7.6345 119.6570 60.9753 32.9171 175.9509 133 T 4.2498 8.3526 118.2047 61.2633 70.8808 175.7653 134 S 4.6008 8.5282 119.5601 61.5042 62.8392 176.7290 135 D 4.3583 8.1172 120.9143 57.4184 40.6035 178.5383 136 E 4.0237 8.2003 119.1616 59.2352 29.4608 179.5554 137 G 3.2429 7.5705 106.6942 47.0182 0.0000 175.6509 138 R 3.5685 7.4660 121.6723 58.7153 30.0230 177.9695 139 E 3.8717 8.3335 119.5126 59.2493 29.5982 178.6003 140 L 3.8807 7.9179 119.8833 58.1045 42.1009 178.7168 141 A 4.0371 7.9089 120.6055 55.3338 18.3485 179.2374 142 D 4.2970 8.4528 117.7678 57.7333 40.7113 179.0403 143 S 4.0922 8.1085 112.3652 61.1113 62.4084 174.9439 144 H 4.6982 7.8359 115.6332 54.4839 28.9962 175.1180 145 G 3.9128 8.0241 109.0869 46.6422 0.0000 173.3858 146 I 4.7044 7.8512 111.6711 58.3296 41.0007 175.0017 147 K 4.5246 8.4362 121.7131 56.0831 33.8375 175.7326 148 F 5.5656 8.4874 122.6253 56.9161 42.7011 173.4885 149 I 4.1417 8.0615 124.3585 59.4270 41.4683 173.1132 150 E 4.9879 8.2120 127.6977 55.0358 31.6134 174.9453 151 T 4.7500 8.6168 112.5239 60.0357 73.5311 172.8197 152 S 4.7522 8.9638 115.8004 56.5294 64.6575 174.3880 153 A 4.0674 8.6885 131.8083 55.1423 18.5938 178.4964 154 K 2.4800 7.8795 116.0867 58.5513 32.1116 177.1203 155 N 4.6379 7.6710 111.4467 52.0574 37.6377 175.3153 156 A 3.7874 8.0166 121.0959 52.2550 17.9061 177.5706 157 Y 4.2473 8.1507 117.7674 59.1272 39.0318 176.6503 158 N 4.0052 8.6907 122.2474 53.9137 36.8791 176.2695 159 V 3.5762 7.7242 119.0099 66.1789 31.6211 177.6859 160 E 4.3808 8.3101 117.8261 59.7007 29.3788 178.9840 161 Q 3.9262 8.1173 118.7292 58.9944 29.1187 177.8561 162 A 3.7682 8.0550 121.8644 55.4436 18.3295 179.7498 163 F 3.8050 7.6700 116.0782 60.7612 38.6975 177.7952 164 H 4.1863 8.5452 116.0355 59.0034 28.5144 177.8683 165 T 3.8287 8.4978 117.8852 66.8290 68.3155 175.9329 166 M 3.8782 7.9553 119.6250 58.8246 32.1533 177.8528 167 A 4.2539 8.3140 120.9250 55.4086 18.6660 179.7744 168 G 3.6015 8.4581 104.2658 48.0178 0.0000 175.7819 169 E 3.9541 8.2394 120.9325 59.1177 29.4576 179.4634 170 I 3.7507 7.4163 121.1024 63.6548 37.1358 178.3079 171 K 3.7947 8.0408 120.4665 59.5354 31.7251 178.8817 172 K 3.9692 7.6536 117.4455 59.3517 31.9819 178.9366 173 R 4.0608 7.3470 117.5740 58.7420 30.1698 177.9337 174 V 4.0820 7.6712 111.6733 61.8168 31.9712 176.7765 175 Q 4.2672 7.8732 123.0210 55.1044 29.1245 178.0732 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 N 8.42 4.68 0.00 2.70 2.82 0.00 0.00 6.95 7.13 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 4 P 0.00 4.03 0.00 1.96 1.79 0.00 3.61 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 2.03 0.00 5 E 8.48 4.11 0.00 1.93 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 0.00 2.47 2.37 0.00 6 Y 6.69 4.93 0.00 3.12 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 7 D 8.95 4.42 0.00 2.65 2.30 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 8 Y 7.87 4.87 0.00 2.39 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 0.00 0.00 0.00 0.00 9 L 8.80 4.98 0.00 1.70 1.69 0.79 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 10 F 9.09 5.25 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 11 K 9.29 5.21 0.00 1.89 2.08 0.00 1.69 0.00 0.00 1.95 0.00 0.00 3.19 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.96 1.71 7.81 12 L 9.42 5.43 0.00 1.74 1.66 1.11 0.38 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 13 L 8.79 5.44 0.00 1.83 1.54 0.98 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 14 L 8.79 5.12 0.00 1.61 1.56 1.22 0.59 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 15 I 9.77 4.31 1.26 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 1.16 1.03 0.91 0.00 0.00 16 G 6.92 3.95 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 0.00 17 D 8.23 4.89 0.00 3.00 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 18 S 8.63 4.27 0.00 3.95 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 19 G 9.07 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 0.00 0.00 0.00 0.00 20 V 7.23 3.77 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 0.85 0.00 0.00 0.99 0.00 0.00 21 G 8.56 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 0.00 0.00 0.00 0.00 22 K 8.62 3.92 0.00 1.82 1.89 0.00 1.73 0.00 0.00 1.62 0.00 0.00 3.05 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.48 1.51 7.81 23 S 8.04 4.26 0.00 3.85 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 C 8.11 4.19 0.00 3.22 3.23 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 25 L 8.48 4.13 0.00 1.99 1.94 0.88 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 26 L 8.10 3.99 0.00 1.89 1.88 0.91 0.81 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 27 L 8.27 4.00 0.00 1.73 1.69 0.86 0.82 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 28 R 8.26 4.12 0.00 2.05 2.27 0.00 3.24 0.00 0.00 3.25 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.65 0.00 29 F 8.05 4.12 0.00 2.68 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 30 A 8.19 3.84 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 31 D 8.19 4.66 0.00 2.77 2.61 0.00 0.00 0.00 0.00 0.00 0.00 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 D 7.90 4.95 0.00 2.73 2.66 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 0.00 0.00 0.00 33 T 7.10 4.78 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 1.19 0.00 0.00 34 Y 8.10 4.83 0.00 2.92 2.85 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 35 T 7.22 4.44 4.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 36 D 8.49 4.41 0.00 2.74 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 37 S 7.65 4.29 0.00 3.81 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 38 Y 8.62 4.18 0.00 3.01 2.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 I 7.37 4.10 1.63 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.58 0.76 0.00 0.00 40 S 8.06 4.11 0.00 4.02 4.06 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 41 T 7.17 4.61 4.22 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 0.00 0.00 0.00 1.17 0.00 0.00 42 I 8.24 3.76 1.81 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 1.31 0.81 0.94 0.00 0.00 43 G 8.83 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 0.00 0.00 0.00 44 V 6.88 4.44 1.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.61 0.00 0.00 0.82 0.00 0.00 45 D 8.36 4.57 0.00 2.61 3.08 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 0.00 0.00 0.00 46 F 6.66 4.77 0.00 2.12 1.45 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 0.00 47 K 8.94 4.63 0.00 1.59 1.63 0.00 1.52 0.00 0.00 1.52 0.00 0.00 2.73 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.26 1.46 7.81 48 I 8.16 4.97 1.84 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 1.39 0.97 0.82 0.00 0.00 49 R 8.73 4.53 0.00 1.55 1.50 0.00 2.53 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 1.28 1.34 0.00 50 T 8.44 5.07 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 1.23 0.00 0.00 51 I 8.93 4.71 1.93 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 1.22 0.97 0.95 0.00 0.00 52 S 8.65 5.19 0.00 3.90 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 53 L 9.18 4.63 0.00 1.69 1.58 1.01 0.94 0.00 0.00 0.00 0.00 0.00 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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 80 R 8.38 3.57 0.00 1.34 0.77 0.00 2.24 0.00 0.00 2.85 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.89 0.00 81 G 8.19 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 A 7.93 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 83 H 9.28 4.49 0.00 3.07 3.18 0.00 5.78 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 G 7.96 4.52 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 85 I 9.07 5.09 1.86 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 1.30 1.01 1.00 0.00 0.00 86 I 8.78 4.58 1.72 0.00 0.00 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.65 0.67 0.00 0.00 87 I 8.76 4.57 1.93 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 1.16 0.67 0.96 0.00 0.00 88 V 8.85 4.92 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 0.93 0.00 0.00 0.84 0.00 0.00 89 Y 8.87 4.96 0.00 3.21 3.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 D 9.08 4.97 0.00 2.80 2.69 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 91 V 8.79 3.87 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 0.71 0.00 0.00 1.01 0.00 0.00 92 T 8.39 4.52 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 1.24 0.00 0.00 93 D 8.35 4.70 0.00 2.75 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 94 R 8.59 4.02 0.00 2.02 1.99 0.00 3.42 0.00 0.00 3.33 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.98 0.00 95 D 8.32 4.39 0.00 2.89 2.88 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 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0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.74 2.47 0.00 113 E 8.91 3.97 0.00 1.98 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 0.00 2.24 1.92 0.00 114 N 7.78 5.04 0.00 2.64 2.78 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 0.00 115 V 7.39 3.69 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 0.61 0.00 0.00 0.98 0.00 0.00 116 N 8.85 4.72 0.00 2.68 2.69 0.00 0.00 6.55 6.40 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 0.00 117 K 8.43 4.96 0.00 1.56 1.64 0.00 1.67 0.00 0.00 1.59 0.00 0.00 2.83 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.30 1.36 7.81 118 L 8.65 4.75 0.00 1.66 1.35 0.90 0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 119 L 8.91 5.03 0.00 1.97 1.97 1.21 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 120 V 9.16 4.69 1.96 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 0.81 0.00 0.00 0.72 0.00 0.00 121 G 8.51 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 0.00 0.00 0.00 122 N 8.71 5.10 0.00 2.71 2.83 0.00 0.00 7.11 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 0.00 123 K 8.58 4.22 0.00 2.05 1.95 0.00 2.02 0.00 0.00 1.93 0.00 0.00 3.00 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.44 1.43 7.81 124 C 8.09 4.42 0.00 3.12 3.07 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 0.00 0.00 0.00 125 D 7.92 4.36 0.00 2.75 2.79 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 0.00 126 L 7.80 4.41 0.00 1.85 1.67 0.95 0.75 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 0.00 127 V 7.51 3.69 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 0.96 0.00 0.00 0.91 0.00 0.00 128 S 8.02 4.30 0.00 3.98 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 129 K 7.95 4.37 0.00 1.84 1.88 0.00 1.68 0.00 0.00 1.57 0.00 0.00 2.83 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.39 1.52 7.81 130 R 7.46 4.35 0.00 1.83 1.96 0.00 3.21 0.00 0.00 3.34 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.65 0.00 131 V 8.67 4.32 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 0.76 0.00 0.00 1.01 0.00 0.00 132 V 7.63 4.24 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 -0.27 0.00 0.00 0.83 0.00 0.00 133 T 8.35 4.25 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 1.19 0.00 0.00 134 S 8.53 4.60 0.00 3.98 4.17 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 0.00 135 D 8.12 4.36 0.00 2.68 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 0.00 136 E 8.20 4.02 0.00 1.94 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 0.00 2.30 2.26 0.00 137 G 7.57 3.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 138 R 7.47 3.57 0.00 2.02 2.00 0.00 3.17 0.00 0.00 3.20 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.80 0.00 139 E 8.33 3.87 0.00 2.08 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 2.31 0.00 140 L 7.92 3.88 0.00 1.90 1.78 0.24 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 141 A 7.91 4.04 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.45 4.30 0.00 2.86 2.73 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 0.00 143 S 8.11 4.09 0.00 3.88 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 144 H 7.84 4.70 0.00 3.16 3.30 0.00 5.83 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 145 G 8.02 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 0.00 146 I 7.85 4.70 2.07 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 0.85 0.97 0.00 0.00 147 K 8.44 4.52 0.00 1.75 1.79 0.00 1.60 0.00 0.00 1.74 0.00 0.00 2.81 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.54 1.44 7.81 148 F 8.49 5.57 0.00 2.94 2.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 149 I 8.06 4.14 1.65 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.87 0.67 0.00 0.00 150 E 8.21 4.99 0.00 1.88 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 0.00 2.36 1.86 0.00 151 T 8.62 4.75 4.16 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 0.00 0.00 1.03 0.00 0.00 152 S 8.96 4.75 0.00 3.90 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 0.00 153 A 8.69 4.07 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.88 2.48 0.00 1.02 1.51 0.00 1.66 0.00 0.00 1.82 0.00 0.00 3.00 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.14 0.79 7.81 155 N 7.67 4.64 0.00 2.81 2.78 0.00 0.00 7.13 7.01 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 0.00 156 A 8.02 3.79 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 0.00 157 Y 8.15 4.25 0.00 3.05 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 0.00 158 N 8.69 4.01 0.00 2.18 2.47 0.00 0.00 6.75 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 0.00 159 V 7.72 3.58 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 1.31 0.00 0.00 1.06 0.00 0.00 160 E 8.31 4.38 0.00 2.09 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 0.00 2.59 2.40 0.00 161 Q 8.12 3.93 0.00 2.04 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.87 0.00 0.00 0.00 0.00 0.00 2.34 2.39 0.00 162 A 8.05 3.77 1.07 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 0.00 0.00 0.00 0.00 0.00 163 F 7.67 3.81 0.00 1.94 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 0.00 0.00 0.00 0.00 164 H 8.55 4.19 0.00 3.35 3.41 0.00 5.82 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 165 T 8.50 3.83 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 1.17 0.00 0.00 166 M 7.96 3.88 0.00 2.19 1.91 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.57 0.00 167 A 8.31 4.25 1.55 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 0.00 0.00 168 G 8.46 3.60 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 0.00 0.00 0.00 169 E 8.24 3.95 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 2.50 2.46 0.00 170 I 7.42 3.75 1.05 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.41 -0.41 0.00 0.00 171 K 8.04 3.79 0.00 1.94 1.96 0.00 1.59 0.00 0.00 1.67 0.00 0.00 3.01 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.39 1.27 7.81 172 K 7.65 3.97 0.00 2.21 1.83 0.00 1.87 0.00 0.00 1.63 0.00 0.00 2.92 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.48 1.32 7.81 173 R 7.35 4.06 0.00 1.76 1.99 0.00 3.21 0.00 0.00 3.17 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.62 0.00 174 V 7.67 4.08 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 0.69 0.00 0.00 0.90 0.00 0.00 175 Q 7.87 4.27 0.00 2.15 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.03 6.55 0.00 0.00 0.00 0.00 0.00 2.15 2.09 0.00 * Residues marked with a * may have inaccurate shift predictions.