NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 9 S 4.4489 8.3349 117.0997 57.2483 65.2033 173.4047 10 L 4.4550 7.6156 119.5856 51.2084 43.2102 173.8396 11 P 4.6249 0.0000 0.0000 62.7671 34.3176 177.3119 12 Q 4.1044 8.7566 119.0716 59.2043 28.6803 179.3612 13 S 4.1504 8.1316 114.9823 61.4155 62.9358 176.2693 14 F 4.1562 8.2696 123.8023 60.9176 39.1685 176.6950 15 L 3.8691 7.9422 119.8664 58.1091 41.9037 178.7626 16 L 3.9625 8.2645 120.4891 57.7368 41.9068 178.8563 17 K 3.9102 7.9936 119.8698 59.5829 32.0500 178.5580 18 C 4.0465 8.1140 117.3984 62.6100 27.9653 175.8048 19 L 3.4234 8.1543 122.0987 57.8710 41.6591 178.6146 20 E 3.7687 7.9936 119.0537 59.5100 29.6469 178.8718 21 Q 3.7911 7.9678 118.0848 58.9580 28.6224 179.2668 22 V 3.2839 7.4976 113.7312 64.1869 31.4763 178.8971 23 R 3.7566 7.8903 118.0475 58.7233 29.8252 179.0341 24 K 3.8417 7.9619 119.5672 59.5444 32.1786 178.9569 25 I 3.7854 7.6020 120.0157 64.5119 37.0007 178.3909 26 Q 3.9438 8.1951 118.7621 59.0106 28.5431 178.9039 27 A 3.9958 8.1404 121.7033 55.0164 18.1834 179.5271 28 D 4.3527 8.1138 117.7570 57.4729 40.9088 179.1249 29 G 3.6545 8.2879 106.1835 47.6271 0.0000 175.5849 30 A 3.9373 8.0904 123.1472 54.9564 18.3648 179.3546 31 E 3.8501 8.1848 117.8655 59.0742 29.5710 178.5383 32 L 3.8860 7.9111 120.4199 58.5574 42.1612 179.1388 33 Q 3.9397 8.0050 117.7306 58.6989 28.4932 178.4236 34 E 3.8771 8.1977 120.3539 59.4108 29.7344 179.1887 35 R 3.8675 8.1353 118.1239 59.2678 30.0789 178.9229 36 L 4.0011 8.1442 119.0815 57.9383 41.5638 178.9539 37 C 4.3920 8.5013 119.3321 59.2568 43.4293 175.1533 38 A 3.9159 8.0526 121.1076 55.2572 18.0666 179.1800 39 A 4.0652 8.4906 118.4820 54.7103 18.6050 178.1806 40 H 4.8266 8.0282 111.7962 54.7219 29.5784 174.5668 41 K 4.1594 8.0275 117.1808 57.2450 29.7964 175.7748 42 L 4.4841 7.2827 120.2280 54.0188 40.5114 176.1447 43 C 5.0133 8.5710 118.1596 56.5748 36.0325 174.9073 44 H 4.7986 7.7220 118.3058 52.1125 29.1050 171.8593 45 P 4.3819 0.0000 0.0000 66.3417 31.0104 178.9725 46 E 4.0428 8.1446 116.9438 60.8379 29.4407 182.0903 47 E 4.3452 8.1596 118.3253 59.6502 29.6332 179.4962 48 L 4.1397 7.9541 118.3424 57.8477 41.7875 179.1057 49 M 4.2613 8.3089 118.8797 58.3833 31.6106 178.5441 50 L 4.1891 7.5668 117.3255 56.8177 42.0053 178.2589 51 L 4.5889 8.3002 120.9316 55.2831 41.7862 178.9827 52 R 4.0061 7.9097 123.1319 61.9860 29.3403 183.0814 53 H 4.4830 8.2210 118.6619 59.1929 29.7467 177.3133 54 S 4.1012 8.1156 115.5227 61.3789 62.7854 175.1454 55 L 4.2088 7.9525 117.8215 54.6864 41.7874 177.3768 56 G 3.7798 7.8622 106.6360 46.1281 0.0000 173.4951 57 I 4.0503 7.7684 121.3549 59.6674 37.3172 174.6604 58 P 4.6018 0.0000 0.0000 62.7157 32.5135 175.7395 59 Q 4.6625 8.2454 115.9590 52.9018 31.2659 174.2049 60 A 4.5046 8.3794 123.8800 50.0200 19.8463 175.7640 61 P 4.6500 0.0000 0.0000 62.8661 32.3085 176.1841 62 L 5.1081 8.2858 120.5478 54.4065 43.3472 178.9495 63 S 4.1341 8.4547 116.0275 61.5995 63.1622 175.8570 64 S 4.6289 8.6249 114.9944 59.3401 62.7196 174.3969 65 C 4.8284 8.1334 117.4460 56.5695 36.7709 174.1237 66 S 4.6912 7.8998 116.2545 57.3318 63.6710 175.3044 67 S 3.7682 9.0946 119.7305 62.2735 62.6466 176.4445 68 Q 4.2020 8.1327 118.3255 57.3548 27.8273 179.0455 69 S 4.7463 8.0718 113.2336 56.8994 63.3497 173.8129 70 L 4.4103 8.0900 122.4630 56.7992 42.5744 175.8460 71 Q 4.5609 8.8871 123.8816 53.2816 33.2472 175.5320 72 L 3.8982 8.6804 124.2806 58.3033 42.3158 179.2973 73 R 3.9024 7.9228 118.1890 59.3687 30.1178 178.3217 74 G 3.6980 8.0828 105.0620 47.9813 0.0000 175.8875 75 C 4.2888 8.5941 121.2942 59.5262 44.9728 175.5832 76 L 3.8987 7.9176 120.5828 57.9102 41.0778 179.1754 77 N 4.3768 8.6767 117.4380 56.7284 38.9143 177.1057 78 Q 4.1002 8.4716 119.7885 58.5869 28.7245 178.3400 79 L 4.2243 8.3779 121.9556 58.4040 42.2514 178.5226 80 H 4.3699 8.6393 118.4391 59.3382 29.8862 177.4412 81 G 3.8196 8.6933 108.1026 47.7700 0.0000 175.8743 82 G 3.5871 8.4999 108.0803 47.6867 0.0000 175.9075 83 L 4.2661 8.4826 121.5956 57.3923 41.6152 179.5522 84 F 3.8287 8.4664 117.8337 59.7377 38.7429 177.5602 85 L 3.8683 7.8854 120.2449 58.5070 41.8870 178.7483 86 Y 4.0119 7.6163 116.4945 60.9022 37.6885 178.5214 87 Q 4.0283 8.2011 119.2957 58.9469 28.7442 179.2503 88 G 3.5960 8.0911 106.5022 47.8516 0.0000 175.7590 89 L 4.1089 7.9587 120.7542 57.5182 41.7968 179.3304 90 L 4.0896 8.1472 119.0499 57.6589 41.5207 179.3585 91 Q 3.9293 8.1330 119.4378 59.1399 28.8330 178.1371 92 A 4.1784 8.1269 120.6598 54.8872 18.7077 179.1782 93 L 3.8843 7.8071 117.0953 55.1528 42.0077 176.7754 94 A 3.5429 8.9070 121.1319 53.1183 16.4286 177.9961 95 G 3.9056 8.1159 108.7709 45.0387 0.0000 174.4195 96 I 3.4933 7.9348 124.2733 61.6464 36.3999 174.2325 97 S 4.6069 7.3010 112.0109 55.6295 66.2486 173.6824 98 P 4.2540 0.0000 0.0000 66.4215 30.6573 178.0083 99 E 4.1289 8.1665 116.8929 58.4106 29.9139 177.9225 100 L 4.3959 7.6235 116.3791 55.5235 42.4309 178.4406 101 A 4.0366 7.9476 121.4031 54.9522 18.2650 177.6850 102 P 4.1925 0.0000 0.0000 66.2214 31.4047 178.9550 103 T 3.8748 7.8117 113.9054 66.4292 68.3189 176.3870 104 L 3.9239 7.8758 122.2382 58.2026 42.0976 178.7353 105 D 4.3301 8.2194 118.8718 57.6314 40.6468 178.8931 106 T 3.8313 7.7332 115.7515 66.4939 68.3798 176.3194 107 L 4.1537 7.7301 123.4847 57.7108 42.0866 179.0205 108 Q 3.9436 8.3307 118.2006 58.7916 28.5661 178.6032 109 L 3.9109 8.0106 121.2259 58.4418 42.1474 178.8381 110 D 4.3412 8.3699 119.0992 57.1723 40.6951 179.0063 111 V 3.6733 8.1487 119.1985 66.5060 31.5962 178.3672 112 T 3.9687 7.9360 115.4796 66.3866 68.2544 176.3671 113 D 4.3757 8.4443 120.4614 57.2734 41.2579 178.1581 114 F 4.4552 8.2385 120.6168 61.4007 39.5441 176.8940 115 A 4.0619 8.2157 120.4459 55.6470 18.1597 179.8097 116 T 4.0623 8.2134 114.2561 66.8806 68.5210 176.7565 117 N 4.5549 8.3661 118.4169 56.3184 38.5315 177.5238 118 I 3.8451 7.8990 121.2849 64.1124 37.1683 178.1024 119 W 3.9367 8.1998 128.8746 60.6306 30.4800 177.9355 120 L 4.1700 8.3994 118.8158 57.9325 40.9026 179.3923 121 Q 3.7821 8.2259 119.5831 59.2149 28.8527 178.0660 122 M 3.9294 8.1619 122.2977 58.8028 31.7129 179.1228 123 E 3.6552 7.7185 117.5521 61.2218 30.0305 180.6326 124 D 4.6356 7.9691 117.8071 55.6533 40.8163 177.7663 125 L 4.5870 8.5874 118.7376 54.2393 42.9160 175.7270 126 G 3.7290 8.8549 113.9943 45.5420 0.0000 172.6965 127 A 3.4769 8.0378 130.1494 52.9796 15.7391 176.0001 128 A 4.2440 6.8740 123.3049 50.5158 20.9624 177.5504 129 P 4.9512 0.0000 0.0000 62.5845 29.9409 179.0422 *137 A 4.3121 8.6117 119.1926 51.2510 20.0490 176.5836 138 M 4.7299 7.6689 114.6077 52.3886 34.6428 174.0623 139 P 4.1767 0.0000 0.0000 63.6384 32.1512 176.2973 140 T 4.3682 7.6690 111.3566 59.0700 70.5728 175.5674 141 F 4.7237 8.5402 124.0087 56.8758 40.4439 175.5331 142 T 4.2541 9.0342 118.8848 62.3274 69.2243 173.9862 143 S 4.7883 7.9160 116.2688 56.4629 66.2611 174.8703 144 A 3.9764 8.4185 123.5876 55.3818 18.0589 179.6901 145 F 4.1244 8.2200 118.4917 61.6071 39.5142 176.9778 146 Q 4.0141 8.0690 117.1748 59.2675 28.5309 179.4258 147 R 3.7464 8.1833 118.9071 59.1741 29.9758 179.3885 148 R 3.8170 8.1761 118.0305 59.0605 30.1200 178.9707 149 A 3.8448 7.9175 121.1948 54.7438 18.1881 179.6839 150 G 3.4005 8.0005 104.5803 47.8620 0.0000 176.0490 151 G 3.4820 7.7938 108.1855 47.5392 0.0000 176.2429 152 V 3.6891 7.4891 121.6960 64.1508 31.4191 178.5854 153 L 3.9786 7.9427 119.8495 57.5670 41.4260 179.4175 154 V 3.6863 8.0040 118.1828 65.9192 31.4275 177.9552 155 A 3.9073 7.8671 120.1329 55.2388 18.1000 179.7353 156 S 4.0706 7.9941 113.6539 61.9560 62.8409 177.1035 157 Q 4.0815 8.5239 121.1109 58.8587 28.4919 178.4314 158 L 3.3405 8.0801 121.7909 57.9240 41.9743 178.5468 159 H 3.9890 8.1856 118.3222 59.2413 29.8863 177.2867 160 R 4.0644 7.8344 120.5399 59.4392 29.9488 177.9624 161 F 4.2078 8.6539 120.8792 61.6266 39.2140 177.1845 162 L 3.9318 8.1033 118.4111 57.4472 41.3971 179.1806 163 E 3.9333 8.0423 118.6487 59.4710 29.4431 179.4199 164 L 3.9358 7.9334 118.5680 57.7200 41.6416 179.4806 165 A 3.8442 7.8197 120.6928 55.2692 18.2033 179.0629 166 Y 3.9470 8.2471 118.3309 60.6539 38.8845 178.0371 167 R 3.5944 8.0534 119.8491 59.3171 29.8776 178.7441 168 G 3.6203 7.5443 104.1752 47.6566 0.0000 175.3425 169 L 4.1323 8.1096 121.8781 57.6476 41.5582 179.5358 170 R 3.7011 7.6098 118.2176 59.8200 29.7628 178.7271 171 Y 4.4200 7.4188 114.3184 60.3397 38.0976 177.4781 172 L 4.5038 7.9062 117.9460 54.4240 41.8559 176.5983 173 A 4.6180 7.6079 127.1388 51.8936 18.3470 177.5538 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 9 S 8.33 4.45 0.00 3.65 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 L 7.62 4.45 0.00 1.79 1.81 1.10 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 11 P 0.00 4.62 0.00 2.34 2.21 0.00 3.63 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 2.19 2.06 0.00 12 Q 8.76 4.10 0.00 2.12 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.03 6.96 0.00 0.00 0.00 0.00 0.00 2.48 2.39 0.00 13 S 8.13 4.15 0.00 4.11 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 14 F 8.27 4.16 0.00 3.19 3.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 L 7.94 3.87 0.00 1.90 1.69 1.03 0.40 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 16 L 8.26 3.96 0.00 1.81 1.65 0.93 0.49 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 17 K 7.99 3.91 0.00 1.92 1.82 0.00 1.55 0.00 0.00 1.65 0.00 0.00 3.05 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.47 1.52 7.81 18 C 8.11 4.05 0.00 3.13 3.11 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 0.00 19 L 8.15 3.42 0.00 1.71 1.79 0.41 1.06 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 20 E 7.99 3.77 0.00 2.18 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 2.23 2.29 0.00 21 Q 7.97 3.79 0.00 1.77 1.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.66 6.80 0.00 0.00 0.00 0.00 0.00 2.29 2.46 0.00 22 V 7.50 3.28 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.00 0.00 0.55 0.00 0.00 23 R 7.89 3.76 0.00 1.83 1.85 0.00 2.98 0.00 0.00 2.97 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.65 0.00 24 K 7.96 3.84 0.00 1.86 1.86 0.00 1.47 0.00 0.00 1.59 0.00 0.00 2.99 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.37 1.56 7.81 25 I 7.60 3.79 1.75 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.45 0.86 0.00 0.00 26 Q 8.20 3.94 0.00 2.15 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.67 0.00 0.00 0.00 0.00 0.00 2.26 2.40 0.00 27 A 8.14 4.00 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 28 D 8.11 4.35 0.00 2.88 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 29 G 8.29 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 30 A 8.09 3.94 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 31 E 8.18 3.85 0.00 2.17 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 2.28 2.33 0.00 32 L 7.91 3.89 0.00 1.99 1.72 0.86 0.72 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 33 Q 8.01 3.94 0.00 2.23 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.53 0.00 0.00 0.00 0.00 0.00 2.34 2.43 0.00 34 E 8.20 3.88 0.00 2.29 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 0.00 2.28 2.37 0.00 35 R 8.14 3.87 0.00 2.05 1.92 0.00 3.16 0.00 0.00 3.14 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.83 0.00 36 L 8.14 4.00 0.00 1.79 1.72 0.87 1.01 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 37 C 8.50 4.39 0.00 3.08 3.30 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 38 A 8.05 3.92 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 39 A 8.49 4.07 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 H 8.03 4.83 0.00 3.31 3.28 0.00 5.79 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 K 8.03 4.16 0.00 1.92 1.90 0.00 1.72 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.40 1.55 7.81 42 L 7.28 4.48 0.00 1.64 1.66 0.88 1.03 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 43 C 8.57 5.01 0.00 2.71 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 44 H 7.72 4.80 0.00 3.32 3.24 0.00 5.82 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 P 0.00 4.38 0.00 2.26 2.31 0.00 3.70 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.02 0.00 46 E 8.14 4.04 0.00 2.09 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 2.23 1.97 0.00 47 E 8.16 4.35 0.00 2.30 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 2.33 2.36 0.00 48 L 7.95 4.14 0.00 1.88 1.74 1.06 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 49 M 8.31 4.26 0.00 2.06 2.16 0.00 0.00 0.00 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.99 0.00 50 L 7.57 4.19 0.00 1.78 1.77 0.95 1.08 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 51 L 8.30 4.59 0.00 1.78 1.77 1.13 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 52 R 7.91 4.01 0.00 1.85 1.95 0.00 3.27 0.00 0.00 3.09 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.52 0.00 53 H 8.22 4.48 0.00 3.24 3.35 0.00 5.84 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 54 S 8.12 4.10 0.00 4.11 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 55 L 7.95 4.21 0.00 1.87 1.86 0.97 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 56 G 7.86 3.78 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 0.00 0.00 0.00 57 I 7.77 4.05 1.96 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.77 1.02 0.00 0.00 58 P 0.00 4.60 0.00 2.13 2.04 0.00 3.71 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.90 0.00 59 Q 8.25 4.66 0.00 2.05 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.87 0.00 0.00 0.00 0.00 0.00 2.16 1.88 0.00 60 A 8.38 4.50 1.13 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 61 P 0.00 4.65 0.00 2.25 2.12 0.00 3.77 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.02 0.00 62 L 8.29 5.11 0.00 1.73 1.65 0.61 0.88 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 63 S 8.45 4.13 0.00 4.02 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 64 S 8.62 4.63 0.00 4.16 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 65 C 8.13 4.83 0.00 3.06 3.13 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 66 S 7.90 4.69 0.00 4.08 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 67 S 9.09 3.77 0.00 3.67 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 Q 8.13 4.20 0.00 2.09 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 7.57 0.00 0.00 0.00 0.00 0.00 2.28 1.93 0.00 69 S 8.07 4.75 0.00 3.95 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 70 L 8.09 4.41 0.00 1.72 1.58 1.08 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 71 Q 8.89 4.56 0.00 2.10 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.89 6.77 0.00 0.00 0.00 0.00 0.00 2.26 2.28 0.00 72 L 8.68 3.90 0.00 1.74 1.63 0.90 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 73 R 7.92 3.90 0.00 1.87 1.88 0.00 3.20 0.00 0.00 3.31 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.63 0.00 74 G 8.08 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 75 C 8.59 4.29 0.00 3.29 3.15 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 0.00 0.00 0.00 76 L 7.92 3.90 0.00 2.03 1.69 1.00 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 77 N 8.68 4.38 0.00 2.87 2.82 0.00 0.00 7.22 6.82 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 78 Q 8.47 4.10 0.00 2.41 2.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.64 0.00 0.00 0.00 0.00 0.00 2.45 2.53 0.00 79 L 8.38 4.22 0.00 1.79 2.00 1.04 1.22 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 80 H 8.64 4.37 0.00 3.37 3.52 0.00 5.65 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 81 G 8.69 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 82 G 8.50 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 L 8.48 4.27 0.00 2.26 1.87 1.27 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 84 F 8.47 3.83 0.00 3.26 3.19 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 85 L 7.89 3.87 0.00 1.63 1.54 0.79 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 86 Y 7.62 4.01 0.00 3.02 2.90 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 87 Q 8.20 4.03 0.00 2.06 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.22 6.39 0.00 0.00 0.00 0.00 0.00 2.13 2.24 0.00 88 G 8.09 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 89 L 7.96 4.11 0.00 1.85 1.79 0.95 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 90 L 8.15 4.09 0.00 1.83 1.69 0.93 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 91 Q 8.13 3.93 0.00 2.35 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.77 0.00 0.00 0.00 0.00 0.00 2.36 2.43 0.00 92 A 8.13 4.18 1.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 L 7.81 3.88 0.00 1.71 1.58 0.74 0.23 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 94 A 8.91 3.54 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 95 G 8.12 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 96 I 7.93 3.49 1.84 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.38 0.87 0.00 0.00 97 S 7.30 4.61 0.00 4.14 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 98 P 0.00 4.25 0.00 2.24 2.26 0.00 3.77 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 2.01 2.09 0.00 99 E 8.17 4.13 0.00 1.93 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 2.29 2.45 0.00 100 L 7.62 4.40 0.00 1.69 1.68 0.92 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 101 A 7.95 4.04 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 P 0.00 4.19 0.00 2.15 2.11 0.00 3.53 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 2.10 2.17 0.00 103 T 7.81 3.87 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 1.18 0.00 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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 0.00 0.00 0.00 1.12 0.00 0.00 113 D 8.44 4.38 0.00 3.01 2.74 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 0.00 0.00 0.00 0.00 114 F 8.24 4.46 0.00 3.11 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 0.00 115 A 8.22 4.06 1.59 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 0.00 116 T 8.21 4.06 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 1.28 0.00 0.00 117 N 8.37 4.55 0.00 3.13 3.10 0.00 0.00 7.14 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 0.00 118 I 7.90 3.85 2.09 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.45 0.96 0.00 0.00 119 W 8.20 3.94 0.00 3.35 3.35 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 0.00 120 L 8.40 4.17 0.00 2.22 1.82 1.25 0.82 0.00 0.00 0.00 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 129 P 0.00 4.95 0.00 2.22 1.40 0.00 3.75 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.95 0.00 *137 A 8.61 4.31 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 0.00 138 M 7.67 4.73 0.00 1.97 1.94 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.42 0.00 139 P 0.00 4.18 0.00 1.52 1.97 0.00 3.70 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 2.03 0.00 140 T 7.67 4.37 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 141 F 8.54 4.72 0.00 2.96 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 0.00 142 T 9.03 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 1.21 0.00 0.00 143 S 7.92 4.79 0.00 4.11 4.08 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 0.00 144 A 8.42 3.98 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 0.00 145 F 8.22 4.12 0.00 3.12 3.13 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 0.00 146 Q 8.07 4.01 0.00 2.50 2.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.67 0.00 0.00 0.00 0.00 0.00 2.51 2.56 0.00 147 R 8.18 3.75 0.00 1.97 1.89 0.00 3.11 0.00 0.00 3.31 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.90 0.00 148 R 8.18 3.82 0.00 1.69 1.89 0.00 3.12 0.00 0.00 3.09 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.69 0.00 149 A 7.92 3.84 0.67 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 0.00 0.00 150 G 8.00 3.40 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 0.00 151 G 7.79 3.48 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 0.00 152 V 7.49 3.69 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 0.78 0.00 0.00 0.91 0.00 0.00 153 L 7.94 3.98 0.00 1.72 1.78 1.02 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 154 V 8.00 3.69 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 1.24 0.00 0.00 0.93 0.00 0.00 155 A 7.87 3.91 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 0.00 156 S 7.99 4.07 0.00 4.15 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 0.00 157 Q 8.52 4.08 0.00 2.41 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.87 0.00 0.00 0.00 0.00 0.00 2.48 2.60 0.00 158 L 8.08 3.34 0.00 0.96 1.64 0.51 0.74 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 0.00 159 H 8.19 3.99 0.00 3.39 3.41 0.00 5.84 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 160 R 7.83 4.06 0.00 1.94 2.00 0.00 3.25 0.00 0.00 3.15 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.69 0.00 161 F 8.65 4.21 0.00 3.32 3.27 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 0.00 162 L 8.10 3.93 0.00 2.04 1.62 1.21 1.07 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 0.00 163 E 8.04 3.93 0.00 2.15 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 2.27 2.45 0.00 164 L 7.93 3.94 0.00 1.77 1.67 0.97 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 165 A 7.82 3.84 1.09 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 0.00 0.00 166 Y 8.25 3.95 0.00 3.10 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 0.00 167 R 8.05 3.59 0.00 1.89 1.98 0.00 3.15 0.00 0.00 3.12 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 1.30 0.00 168 G 7.54 3.62 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 0.00 169 L 8.11 4.13 0.00 1.80 1.49 1.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 170 R 7.61 3.70 0.00 1.53 1.75 0.00 3.19 0.00 0.00 3.02 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 1.46 0.00 171 Y 7.42 4.42 0.00 3.10 2.83 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 0.00 172 L 7.91 4.50 0.00 1.86 1.70 0.96 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 173 A 7.61 4.62 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 * Residues marked with a * may have inaccurate shift predictions.