NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 15 E 4.3130 8.3027 120.2219 56.4215 31.7418 177.4340 16 R 3.6837 8.1028 117.9072 58.0751 30.0015 173.2244 17 E 4.4533 8.2629 115.5948 55.9372 31.2056 175.5096 18 G 3.9547 7.9163 105.5830 45.0195 0.0000 174.8123 19 I 3.7416 8.1560 120.1988 64.1401 36.7387 178.2317 20 L 3.9432 8.0289 120.7744 58.3349 41.7415 178.8042 21 F 4.5403 8.2073 119.6704 61.7394 39.4860 176.7191 22 T 3.6934 7.8397 115.1729 67.3225 68.2099 176.6992 23 T 3.9896 8.5625 117.4055 66.5254 68.3745 176.5456 24 L 4.0117 7.6129 120.3403 57.6991 41.7857 179.2278 25 E 4.1670 8.3899 117.6880 58.9368 29.2381 178.9269 26 K 4.1428 8.4388 119.8903 58.5155 31.9677 178.9792 27 L 4.0994 7.3360 118.9328 57.1724 42.0963 178.8687 28 V 3.7496 8.2685 118.3750 66.0394 31.5055 177.6503 29 A 4.0236 8.0548 120.1846 55.2814 18.0912 179.1885 30 W 4.2686 7.8680 125.3174 61.4356 30.7433 177.4053 31 G 3.8311 8.5008 106.5571 47.2547 0.0000 174.7959 32 R 4.4199 7.6752 117.1521 56.0945 29.6991 178.1333 33 S 3.8135 7.8492 114.0922 60.4018 62.7112 173.7755 34 N 4.8523 8.3179 117.4238 53.6321 40.7699 175.3342 35 S 4.5212 7.3972 113.0528 58.3240 63.1926 173.6988 36 L 4.5590 7.6126 121.3402 55.1350 42.0571 177.3341 37 W 5.1843 9.4918 135.0000 54.2195 30.8305 170.0195 38 P 4.4189 0.0000 0.0000 62.9196 31.6755 175.7203 39 A 4.4481 8.6640 128.7162 49.4460 18.5617 174.9539 40 T 3.9076 8.0718 114.6611 62.2297 68.6573 173.4189 41 F 5.0142 8.9175 128.0026 56.7518 38.7719 173.9259 42 G 3.5148 7.8992 107.7382 47.0597 0.0000 170.3104 43 L 4.5003 9.0763 118.6214 53.3111 44.3241 179.2270 44 A 4.6658 8.2704 124.7974 52.6278 18.4015 180.5342 45 C 4.2086 8.9926 120.4031 65.2007 28.0603 174.6037 46 C 4.1609 8.1683 117.6628 62.6329 27.2204 175.7361 47 A 4.0091 7.7754 122.0253 54.7261 17.6771 178.9581 48 I 3.9506 7.5309 116.3116 62.3872 38.0465 176.7719 49 E 4.3251 7.8525 119.2165 57.2991 29.9298 176.9104 50 M 4.3393 7.7703 118.5921 57.3463 31.1686 176.8718 51 M 4.3203 7.6120 117.7675 56.3578 31.9862 176.8846 52 A 4.2330 7.3423 119.1927 52.0433 19.9877 177.6680 53 S 4.5585 7.7980 113.6764 59.9666 64.5564 176.2349 54 T 4.0790 7.8281 116.6171 65.0574 68.7038 175.0154 55 D 4.5295 7.3858 120.4337 55.9150 41.5804 177.5409 56 A 4.2102 7.5041 121.2508 54.5181 20.0840 178.4694 57 R 3.9858 8.2579 109.0987 56.8735 28.1801 178.3830 *74 Q 4.1362 9.1039 109.2444 55.3027 30.5528 174.2773 75 A 5.0322 8.5454 124.4183 50.4173 21.9389 175.0858 76 D 4.7156 8.2141 120.8582 51.9795 41.9649 174.9616 77 V 4.3159 8.5028 118.0547 62.8801 28.8680 169.3025 78 M 5.0985 7.9154 120.3183 53.1680 33.7255 175.4340 79 I 4.6456 8.2969 123.0616 59.6575 39.5155 175.0471 80 V 4.2669 8.6620 129.0636 62.5171 32.4142 174.6040 81 A 4.7671 9.5167 130.3271 49.9412 19.7491 175.3604 82 G 4.2398 8.4684 107.4097 42.8713 0.0000 170.5930 83 R 3.9100 8.0028 117.6422 56.2606 30.1166 176.5708 84 L 4.3496 8.5462 127.3435 53.4257 42.3960 175.6950 85 S 4.6249 8.4179 121.3427 58.0756 63.2435 175.1299 86 K 4.0556 8.3702 122.4181 59.0590 31.4403 179.8753 87 K 3.9524 7.8239 119.1194 59.6209 32.6018 178.1505 88 M 4.2128 7.6894 117.5041 57.6715 32.1237 177.6085 89 A 3.9931 7.5958 121.5110 54.9247 18.8095 177.5317 90 P 4.3360 0.0000 0.0000 64.8204 31.1838 178.4718 91 V 3.7701 7.5878 118.4182 66.1784 31.9651 177.2579 92 M 3.6070 8.0336 117.8149 58.2151 31.9077 177.9254 93 R 3.8440 7.9922 119.0534 59.6585 30.2709 178.5531 94 R 4.2523 7.5167 117.6331 58.8144 29.8696 179.1644 95 V 3.5663 7.3249 116.5365 65.6052 31.4317 177.7622 96 W 4.1202 7.8672 127.0513 60.4363 30.7335 177.3097 97 E 3.8545 8.3880 118.5364 59.1873 30.1318 178.0142 98 Q 4.4350 7.6486 117.5363 54.8356 27.0637 174.3994 99 M 4.6660 6.9735 117.9468 52.4870 36.1679 171.9486 100 P 4.3277 0.0000 0.0000 62.9318 31.7405 175.3906 101 D 4.1861 8.2769 116.2242 55.8419 41.4549 174.7474 102 P 4.0577 0.0000 0.0000 61.7073 29.7247 175.0676 103 K 4.4488 6.7693 120.5504 54.8105 36.1291 175.3814 104 W 5.4836 8.6307 118.8174 55.3725 34.3933 174.2834 105 V 5.0318 8.7649 120.5081 60.3584 33.8718 174.4935 106 I 4.7963 8.4489 129.1929 60.3041 39.2966 174.8532 107 S 5.1243 8.8222 120.5578 56.7847 65.4379 172.4798 108 M 4.3482 9.4980 125.9050 54.8839 32.9315 176.9404 109 G 3.9008 9.2778 116.7913 44.8097 0.0000 173.2861 110 A 3.9941 8.2878 119.2111 55.7549 17.9515 179.7135 111 C 4.1412 8.1723 112.7935 63.3249 28.4660 175.7686 112 A 4.1855 8.0385 122.0537 55.1704 17.8825 179.0623 113 S 4.3577 8.7131 112.1835 62.4691 63.2710 176.8718 114 S 5.1751 8.5237 119.1234 56.9602 65.1509 174.6001 115 G 4.3024 8.1264 108.4170 45.6896 0.0000 174.7049 116 G 4.0604 7.7471 108.5850 46.9787 0.0000 174.8027 117 M 4.2028 8.3585 121.3637 54.8152 31.6417 176.6860 118 F 4.6389 7.3814 118.4318 56.2702 39.0926 175.1801 119 N 5.0156 8.2806 128.5465 51.7355 37.6503 172.5414 120 N 5.1450 7.4405 115.8435 51.6699 40.7925 174.1921 121 Y 4.2315 9.3152 114.6507 60.2364 38.0458 176.7624 122 A 3.6972 7.7255 122.5384 53.0905 18.9241 176.8311 123 I 4.6851 7.1948 114.8617 59.1424 41.1289 175.0076 124 V 3.8977 8.0041 123.0155 62.8151 32.0171 176.3114 125 Q 4.3466 8.5543 124.2380 56.3701 29.4810 174.8710 126 N 5.0367 7.4136 113.6961 53.3477 41.8651 175.2822 127 V 3.6449 8.2693 125.0480 65.4510 31.7983 177.1234 128 D 5.2103 8.1411 117.6928 55.9407 41.1026 177.2424 129 S 4.3099 8.0142 114.3870 61.0018 63.1337 175.2914 130 V 4.1859 7.5689 111.4194 61.7605 33.9052 176.2777 131 V 3.6222 7.6339 111.5073 58.1656 35.0458 173.1049 132 P 4.6154 0.0000 0.0000 62.3950 31.6356 176.0348 133 V 4.1879 8.8334 124.2488 61.7697 32.5084 175.0231 134 D 4.7434 8.9559 127.2712 55.6784 42.1853 177.3056 135 V 4.4664 7.3917 116.8201 61.2341 35.0980 173.9004 136 Y 5.1739 9.0144 124.3575 55.6686 40.3244 175.8783 137 V 4.5184 8.6644 122.2126 59.0290 33.6859 173.3307 138 P 4.6166 0.0000 0.0000 63.2275 32.4373 174.9760 139 G 4.1512 8.2656 105.8476 44.2643 0.0000 173.0969 140 C 4.5830 7.8046 116.5040 58.2671 32.4897 171.2241 141 P 4.6169 0.0000 0.0000 60.3689 32.3450 175.1388 142 P 4.2596 0.0000 0.0000 62.7478 31.8776 176.1431 143 R 3.9914 8.6108 121.0908 56.3369 30.8457 175.3055 144 P 4.2676 0.0000 0.0000 65.8598 31.3096 178.9052 145 E 4.0790 8.2781 116.1437 58.7515 29.3505 178.6537 146 A 4.2174 7.8274 120.5545 54.1206 18.9978 179.2126 147 L 4.0099 7.9036 119.2887 58.3723 42.0864 178.6268 148 I 3.6552 7.8595 119.5571 64.5776 37.2168 177.1571 149 Y 4.0811 8.1383 120.0802 60.9488 38.6397 178.7903 150 A 3.9851 7.9885 121.5509 55.2740 18.4327 180.0504 151 V 3.5877 7.6578 110.2756 64.3420 31.4989 178.5985 152 M 3.8476 7.8572 118.8476 58.2822 31.4698 178.5521 153 Q 3.6339 7.2970 118.2180 58.9083 29.5710 177.3582 154 L 3.8776 7.4539 121.0988 58.7228 41.9439 178.1106 155 Q 3.5839 8.6322 119.7053 59.8584 27.9632 178.7268 156 K 4.3159 8.2905 115.0922 56.7779 31.8184 178.4503 157 K 4.4596 7.8085 122.8118 57.2795 34.2285 178.7312 158 V 3.7858 7.3080 111.2062 63.8319 31.4414 177.6650 159 R 3.9412 7.7565 117.6538 57.0729 29.9829 176.8944 160 G 3.8621 8.1609 106.1142 46.8217 0.0000 173.7157 161 Q 4.4115 7.3840 118.4869 54.8632 29.7350 174.8139 162 A 4.2691 7.2864 117.6059 49.9005 22.0330 175.6362 163 Y 5.5485 8.2151 117.9846 54.9587 42.1151 174.6000 164 N 4.9015 8.3702 118.5486 51.4686 39.6756 175.6513 165 E 4.0157 8.7687 116.8483 59.7711 29.5402 179.0795 166 R 3.9373 8.0661 116.9699 57.9562 30.1660 177.6236 167 G 4.0170 8.2727 105.6991 45.4821 0.0000 172.8922 168 E 4.5458 8.2038 118.2184 54.2230 31.1770 175.5122 169 R 4.8207 8.5527 122.9487 56.6809 31.0102 175.3393 170 L 4.9072 8.1758 125.9296 51.9818 43.5241 174.7160 171 P 4.2986 0.0000 0.0000 62.8021 30.9667 174.8904 172 P 4.5786 0.0000 0.0000 64.6298 31.7015 176.7271 173 V 4.3949 7.6804 115.8678 60.8740 33.3277 175.6533 174 A 4.3284 7.8793 129.3660 50.6340 17.0806 177.5818 175 A 4.1528 8.1437 122.8639 53.4532 19.1840 176.7085 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 15 E 8.30 4.31 0.00 1.93 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 2.26 2.27 0.00 16 R 8.10 3.68 0.00 1.82 2.04 0.00 3.51 0.00 0.00 3.37 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 1.81 0.00 17 E 8.26 4.45 0.00 2.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.40 0.00 18 G 7.92 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 19 I 8.16 3.74 1.89 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 1.54 0.63 0.92 0.00 0.00 20 L 8.03 3.94 0.00 1.79 1.75 0.95 0.89 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 21 F 8.21 4.54 0.00 3.15 3.17 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 22 T 7.84 3.69 4.43 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 1.19 0.00 0.00 23 T 8.56 3.99 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 24 L 7.61 4.01 0.00 2.13 1.68 1.00 0.88 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 25 E 8.39 4.17 0.00 1.96 1.71 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 2.23 2.17 0.00 26 K 8.44 4.14 0.00 1.82 1.90 0.00 1.65 0.00 0.00 1.66 0.00 0.00 2.96 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.45 1.59 7.81 27 L 7.34 4.10 0.00 1.82 1.71 0.82 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 28 V 8.27 3.75 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 1.01 0.00 0.00 29 A 8.05 4.02 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 30 W 7.87 4.27 0.00 3.50 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 31 G 8.50 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 32 R 7.68 4.42 0.00 2.20 2.28 0.00 3.34 0.00 0.00 3.32 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.72 0.00 33 S 7.85 3.81 0.00 3.78 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 N 8.32 4.85 0.00 2.83 2.71 0.00 0.00 6.61 6.95 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 35 S 7.40 4.52 0.00 4.13 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 36 L 7.61 4.56 0.00 1.69 1.68 0.72 0.47 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 37 W 9.49 5.18 0.00 3.30 3.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 P 0.00 4.42 0.00 1.76 1.96 0.00 3.62 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.10 0.00 39 A 8.66 4.45 1.20 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 0.00 0.00 0.00 40 T 8.07 3.91 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 1.16 0.00 0.00 41 F 8.92 5.01 0.00 3.04 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 42 G 7.90 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 L 9.08 4.50 0.00 1.25 1.32 0.87 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 44 A 8.27 4.67 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 C 8.99 4.21 0.00 2.99 2.99 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 46 C 8.17 4.16 0.00 3.07 2.99 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 47 A 7.78 4.01 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 48 I 7.53 3.95 1.97 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 1.38 0.59 0.90 0.00 0.00 49 E 7.85 4.33 0.00 2.10 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 2.44 2.34 0.00 50 M 7.77 4.34 0.00 2.10 2.02 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 2.64 2.46 0.00 51 M 7.61 4.32 0.00 2.23 2.06 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.77 2.52 0.00 52 A 7.34 4.23 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 53 S 7.80 4.56 0.00 4.04 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 54 T 7.83 4.08 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 1.13 0.00 0.00 55 D 7.39 4.53 0.00 2.85 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 56 A 7.50 4.21 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 57 R 8.26 3.99 0.00 1.92 1.66 0.00 3.17 0.00 0.00 3.25 7.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.83 0.00 *74 Q 9.10 4.14 0.00 2.10 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.74 0.00 0.00 0.00 0.00 0.00 2.28 2.31 0.00 75 A 8.55 5.03 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 76 D 8.21 4.72 0.00 3.11 2.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 V 8.50 4.32 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 1.26 0.00 0.00 78 M 7.92 5.10 0.00 2.19 2.21 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.70 2.58 0.00 79 I 8.30 4.65 1.90 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 1.25 0.66 0.93 0.00 0.00 80 V 8.66 4.27 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 1.05 0.00 0.00 1.01 0.00 0.00 81 A 9.52 4.77 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 G 8.47 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 0.00 0.00 0.00 0.00 83 R 8.00 3.91 0.00 1.68 1.86 0.00 2.64 0.00 0.00 3.07 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.37 0.00 84 L 8.55 4.35 0.00 1.75 1.64 0.97 0.82 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 85 S 8.42 4.62 0.00 3.86 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 86 K 8.37 4.06 0.00 1.79 1.81 0.00 1.83 0.00 0.00 1.57 0.00 0.00 2.90 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.44 1.39 7.81 87 K 7.82 3.95 0.00 1.72 1.80 0.00 1.76 0.00 0.00 1.61 0.00 0.00 2.97 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.41 1.48 7.81 88 M 7.69 4.21 0.00 2.11 2.03 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.74 2.59 0.00 89 A 7.60 3.99 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 90 P 0.00 4.34 0.00 2.28 2.33 0.00 3.73 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 2.15 2.03 0.00 91 V 7.59 3.77 2.37 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 1.14 0.00 0.00 0.97 0.00 0.00 92 M 8.03 3.61 0.00 2.16 2.15 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 1.78 2.31 0.00 93 R 7.99 3.84 0.00 2.04 2.05 0.00 3.32 0.00 0.00 3.09 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.77 0.00 94 R 7.52 4.25 0.00 2.12 1.97 0.00 3.21 0.00 0.00 3.20 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.52 0.00 95 V 7.32 3.57 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 0.68 0.00 0.00 0.85 0.00 0.00 96 W 7.87 4.12 0.00 3.22 3.37 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 97 E 8.39 3.85 0.00 2.25 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 2.52 2.82 0.00 98 Q 7.65 4.44 0.00 2.01 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.71 0.00 0.00 0.00 0.00 0.00 2.35 2.26 0.00 99 M 6.97 4.67 0.00 1.52 1.76 0.00 0.00 0.00 0.00 0.00 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.50 0.00 100 P 0.00 4.33 0.00 2.11 2.04 0.00 3.78 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 2.00 0.00 101 D 8.28 4.19 0.00 2.52 2.59 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 0.00 102 P 0.00 4.06 0.00 2.00 1.93 0.00 3.55 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.99 0.00 103 K 6.77 4.45 0.00 1.49 1.40 0.00 0.68 0.00 0.00 1.33 0.00 0.00 2.27 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.99 1.20 7.81 104 W 8.63 5.48 0.00 3.35 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 0.00 105 V 8.76 5.03 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 1.38 0.00 0.00 1.13 0.00 0.00 106 I 8.45 4.80 1.89 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 1.38 0.69 0.91 0.00 0.00 107 S 8.82 5.12 0.00 3.90 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 0.00 108 M 9.50 4.35 0.00 2.13 2.05 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.54 0.00 109 G 9.28 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 0.00 110 A 8.29 3.99 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 0.00 111 C 8.17 4.14 0.00 3.02 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 0.00 112 A 8.04 4.19 1.42 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 0.00 0.00 0.00 113 S 8.71 4.36 0.00 3.99 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 0.00 114 S 8.52 5.18 0.00 3.94 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 0.00 115 G 8.13 4.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 G 7.75 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 0.00 0.00 0.00 117 M 8.36 4.20 0.00 1.78 1.85 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.81 0.00 118 F 7.38 4.64 0.00 3.10 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 0.00 119 N 8.28 5.02 0.00 2.68 2.76 0.00 0.00 7.00 7.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 N 7.44 5.14 0.00 3.17 2.94 0.00 0.00 6.38 7.55 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 0.00 121 Y 9.32 4.23 0.00 3.15 3.05 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 0.00 122 A 7.73 3.70 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 I 7.19 4.69 1.90 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 1.17 0.60 0.97 0.00 0.00 124 V 8.00 3.90 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 0.76 0.00 0.00 0.99 0.00 0.00 125 Q 8.55 4.35 0.00 2.14 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.87 6.64 0.00 0.00 0.00 0.00 0.00 2.44 2.30 0.00 126 N 7.41 5.04 0.00 2.69 2.63 0.00 0.00 7.32 7.71 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 0.00 127 V 8.27 3.64 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 0.92 0.00 0.00 1.06 0.00 0.00 128 D 8.14 5.21 0.00 2.93 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 0.00 129 S 8.01 4.31 0.00 3.97 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 0.00 130 V 7.57 4.19 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.70 0.00 0.00 0.89 0.00 0.00 131 V 7.63 3.62 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 0.36 0.00 0.00 0.64 0.00 0.00 132 P 0.00 4.62 0.00 2.04 1.96 0.00 2.79 0.00 0.00 2.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.86 0.00 133 V 8.83 4.19 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 0.02 0.00 0.00 0.86 0.00 0.00 134 D 8.96 4.74 0.00 2.66 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 0.00 135 V 7.39 4.47 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 1.16 0.00 0.00 0.90 0.00 0.00 136 Y 9.01 5.17 0.00 2.87 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 0.00 137 V 8.66 4.52 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 1.09 0.00 0.00 1.05 0.00 0.00 138 P 0.00 4.62 0.00 2.11 2.12 0.00 3.83 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 2.02 2.01 0.00 139 G 8.27 4.15 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 0.00 0.00 0.00 140 C 7.80 4.58 0.00 2.90 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 0.00 141 P 0.00 4.62 0.00 2.23 2.04 0.00 3.84 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 1.98 1.95 0.00 142 P 0.00 4.26 0.00 2.22 2.35 0.00 3.82 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.08 0.00 143 R 8.61 3.99 0.00 1.85 1.86 0.00 3.17 0.00 0.00 3.32 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 1.68 0.00 144 P 0.00 4.27 0.00 2.20 2.08 0.00 3.66 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.18 0.00 145 E 8.28 4.08 0.00 2.05 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 2.40 2.45 0.00 146 A 7.83 4.22 1.35 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 0.00 0.00 147 L 7.90 4.01 0.00 1.73 1.80 0.92 0.94 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 0.00 148 I 7.86 3.66 2.10 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 1.53 0.37 0.94 0.00 0.00 149 Y 8.14 4.08 0.00 2.95 3.10 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 0.00 150 A 7.99 3.99 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 0.00 151 V 7.66 3.59 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 0.87 0.00 0.00 0.94 0.00 0.00 152 M 7.86 3.85 0.00 1.86 1.97 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.46 0.00 153 Q 7.30 3.63 0.00 1.95 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.87 0.00 0.00 0.00 0.00 0.00 2.27 2.28 0.00 154 L 7.45 3.88 0.00 1.70 1.60 0.52 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 155 Q 8.63 3.58 0.00 2.11 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.81 0.00 0.00 0.00 0.00 0.00 2.08 2.33 0.00 156 K 8.29 4.32 0.00 1.64 1.64 0.00 1.54 0.00 0.00 1.46 0.00 0.00 2.79 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.27 1.46 7.81 157 K 7.81 4.46 0.00 1.64 1.84 0.00 1.60 0.00 0.00 1.59 0.00 0.00 3.23 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.25 1.30 7.81 158 V 7.31 3.79 1.74 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 -0.57 0.00 0.00 0.63 0.00 0.00 159 R 7.76 3.94 0.00 1.70 2.00 0.00 3.12 0.00 0.00 3.23 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.58 0.00 160 G 8.16 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 0.00 161 Q 7.38 4.41 0.00 2.14 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.54 0.00 0.00 0.00 0.00 0.00 2.17 2.24 0.00 162 A 7.29 4.27 1.12 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 0.00 0.00 0.00 0.00 0.00 0.00 163 Y 8.22 5.55 0.00 2.91 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 0.00 164 N 8.37 4.90 0.00 3.00 3.05 0.00 0.00 5.93 7.66 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 0.00 165 E 8.77 4.02 0.00 2.01 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 2.35 2.30 0.00 166 R 8.07 3.94 0.00 1.90 2.01 0.00 3.14 0.00 0.00 3.39 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.72 0.00 167 G 8.27 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 0.00 168 E 8.20 4.55 0.00 2.10 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 2.35 2.31 0.00 169 R 8.55 4.82 0.00 2.08 1.96 0.00 3.30 0.00 0.00 3.30 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.81 0.00 170 L 8.18 4.91 0.00 1.82 1.59 0.97 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 171 P 0.00 4.30 0.00 2.29 2.13 0.00 3.83 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.06 0.00 172 P 0.00 4.58 0.00 2.27 2.44 0.00 3.72 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.12 0.00 173 V 7.68 4.39 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 0.63 0.00 0.00 0.77 0.00 0.00 174 A 7.88 4.33 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 0.00 175 A 8.14 4.15 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 * Residues marked with a * may have inaccurate shift predictions.