NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4268 8.1633 120.1976 55.4397 34.4558 173.3384 2 N 5.3432 8.6272 116.2920 52.4605 40.8268 172.7657 3 I 4.8453 9.6746 123.1186 59.6790 42.6780 173.1206 4 I 4.8727 8.3531 129.0497 59.4658 39.9279 174.2936 5 L 4.8795 9.0188 129.0059 53.2333 44.3640 175.1613 6 K 4.6539 9.3673 130.1261 55.3359 33.6188 175.3867 7 I 4.3302 8.5139 130.4448 59.7997 38.2746 175.9170 8 S 4.4185 8.9739 122.9470 58.3482 63.2364 175.5875 9 G 3.9085 9.0082 113.5231 48.6235 0.0000 175.9024 10 K 4.3600 8.3671 118.6885 58.6988 32.3310 178.4075 11 F 3.1289 7.6625 119.7579 60.9248 38.6268 176.5778 12 F 4.4396 8.1732 115.7538 58.7882 39.0580 177.5660 13 D 4.6280 8.1221 118.7546 56.8070 40.3950 178.3761 14 E 3.9949 8.0848 118.4076 56.9201 30.6736 176.2577 15 D 4.1532 7.2400 114.5904 54.8299 38.3852 170.9157 16 N 4.6788 7.6549 117.4336 50.7961 40.7678 175.0856 17 V 3.7088 8.5989 127.7077 65.1637 31.0611 177.5600 18 D 4.4241 9.0567 119.2288 56.4535 40.5119 178.3650 19 N 4.1839 8.3235 118.1647 56.2924 38.4287 177.3093 20 L 4.1517 7.7086 119.8250 57.7511 41.7651 179.5208 21 I 3.7391 7.5416 119.8098 64.2939 37.1287 178.8231 22 V 3.6352 7.8330 119.8859 64.8721 31.2328 177.8883 23 L 4.0330 8.2913 123.1832 57.1234 42.0281 178.9690 24 R 3.9663 8.4336 118.8765 59.5371 29.9804 178.5721 25 Q 4.1549 8.2358 118.2633 58.7330 28.3650 178.6671 26 S 4.1310 8.2500 115.4768 61.5428 63.2390 176.6512 27 I 3.8010 7.8422 123.4085 63.9167 36.7412 178.5832 28 K 4.0831 7.6594 118.4322 59.4627 31.6439 178.8872 29 E 3.9530 7.9850 118.2913 59.0953 29.5807 178.6278 30 L 3.6941 8.1603 118.4723 58.0440 41.9248 179.9039 31 A 4.3153 7.9391 119.8570 55.3452 18.1523 178.9455 32 D 4.8582 8.1825 114.5076 54.5634 40.9357 176.4023 33 N 5.1063 7.7923 115.6164 53.1765 40.0016 174.4081 34 G 3.8378 8.6498 103.4610 47.1472 0.0000 174.0869 35 F 5.1714 8.0950 116.2854 55.2652 43.1088 175.4718 36 R 4.6498 8.8497 119.6118 54.6117 32.6924 174.7778 37 V 5.0367 8.6945 124.2299 61.2352 34.1331 174.3940 38 G 4.6852 9.3193 114.6897 44.7000 0.0000 172.1349 39 I 5.2228 9.0903 123.7768 59.1732 41.1871 174.4977 40 V 4.7864 8.7556 126.5935 61.1784 33.9664 174.0728 41 T 5.0423 8.8030 118.8904 59.8980 70.6070 174.6092 42 G 3.9085 8.6791 112.4404 45.2516 0.0000 174.2062 43 G 3.7249 8.8682 108.9480 46.2298 0.0000 175.0872 44 G 4.1775 8.1890 108.7697 45.8610 0.0000 174.0694 45 S 4.2074 9.2906 113.1749 61.8226 62.9362 176.5389 46 T 3.9406 8.1208 118.6599 66.4664 68.1397 175.8746 47 A 4.0959 8.0402 122.3748 55.3766 18.4341 179.7147 48 R 3.8918 7.8872 115.7422 59.7501 30.1373 178.7035 49 R 3.8404 8.7571 118.5614 60.3280 29.9079 177.7772 50 Y 3.9221 8.3854 115.7649 61.1583 37.9978 179.0586 51 I 3.7963 8.2785 120.9412 64.1589 37.2474 178.1566 52 K 3.8400 8.6946 120.7626 59.6133 31.5671 178.4047 53 L 3.9170 8.2095 120.4530 58.1704 42.0072 178.8761 54 A 3.8797 8.5352 121.1208 55.1423 18.3623 179.5682 55 R 3.8625 8.5799 117.7176 59.5107 29.9197 178.0904 56 E 3.9941 8.1046 118.9365 58.8573 29.6403 177.3419 57 I 4.2679 7.3211 109.5783 60.4437 37.6814 175.5813 58 G 3.8652 8.4477 107.8259 47.1147 0.0000 174.5427 59 I 3.9347 7.6613 120.4928 60.2098 37.9494 177.3764 60 G 3.9802 8.7201 111.0522 44.8011 0.0000 174.0615 61 E 3.9855 8.8815 121.4777 59.1297 29.5888 179.1683 62 A 3.8547 7.8977 120.1965 55.5019 18.5054 179.1326 63 Y 4.1471 7.7472 114.5164 60.8687 38.0188 178.3014 64 L 4.1403 8.2167 120.3291 57.7497 41.6175 179.1199 65 D 4.3556 8.1372 118.8700 57.4539 40.7904 178.7002 66 L 3.9374 7.8634 119.3407 57.9362 41.6181 179.6720 67 L 4.2971 8.2747 118.9174 57.8806 41.5058 179.8571 68 G 3.6600 8.1895 105.6823 47.7368 0.0000 175.8806 69 I 3.6053 7.9726 122.4119 64.0656 37.1286 178.6179 70 W 4.3258 8.6050 119.9887 59.5544 28.8584 178.5511 71 A 4.0199 8.3396 121.2127 55.2169 17.8842 179.8414 72 S 4.1784 8.3661 113.0878 61.6958 62.8944 176.9907 73 R 3.8453 8.1738 121.8402 58.7869 29.8808 178.5796 74 L 4.1890 8.1150 120.3256 58.3568 41.9835 178.8808 75 N 4.0024 7.9552 115.7363 55.6479 38.1930 177.2765 76 A 3.7904 7.6000 122.3792 55.3979 18.3825 179.3103 77 Y 3.4191 8.0743 115.5877 60.6578 37.4083 178.4952 78 L 3.9236 7.5847 121.0685 58.2068 42.0127 179.2411 79 V 3.7444 7.6425 116.7344 66.2009 31.5338 177.1839 80 M 4.1820 8.1715 118.2173 58.9189 31.5498 178.2837 81 F 4.6742 8.4055 118.3640 60.5398 38.8139 177.6581 82 S 4.4029 7.8662 111.9074 60.5518 63.3834 175.5421 83 L 4.4050 8.2021 120.9210 54.8885 41.7875 175.7469 84 Q 3.4795 7.1382 118.1922 55.4239 29.5758 176.5651 85 D 4.8282 9.4688 123.6192 54.7490 38.0467 174.8053 86 L 4.7034 7.8349 117.4113 53.8598 44.9038 176.0323 87 A 5.3108 7.8207 119.8691 49.9735 21.5853 174.8840 88 Y 4.3256 9.0775 122.9674 57.4877 39.7396 177.2380 89 M 4.4718 7.9723 129.8198 54.2566 30.3830 175.7831 90 H 4.6313 7.2777 115.8730 55.1659 33.3901 172.9396 91 V 4.1246 7.9359 126.9220 60.0146 30.9727 173.3117 92 P 4.5222 0.0000 0.0000 63.5904 31.3826 176.3185 93 Q 4.6686 8.6998 118.7407 55.5801 29.4147 175.8373 94 S 3.7890 7.1632 112.2240 55.7222 66.6775 175.0233 95 L 3.4031 7.0781 124.0010 58.0924 41.6808 178.8613 96 E 3.9055 7.8938 117.9990 59.6846 29.3443 179.1629 97 E 3.9978 8.2704 118.4800 59.1588 29.4686 179.1112 98 F 4.0993 8.2950 120.8694 61.4771 39.2609 177.0969 99 I 3.8205 7.8904 118.2351 64.4521 37.1533 178.0249 100 Q 3.9931 7.7474 120.2729 59.4448 28.9067 177.9600 101 D 3.8087 8.2306 120.1281 56.8380 40.8866 178.6466 102 W 3.8049 8.2779 129.2118 60.0969 30.3397 178.1175 103 S 4.0876 7.4765 114.6423 61.6220 62.0404 175.6028 104 H 4.3925 7.4359 117.0412 55.8257 27.9878 176.6796 105 G 3.8597 7.2965 108.2195 45.6731 0.0000 173.2940 106 K 4.4892 6.7961 118.2032 53.5983 35.1531 175.7843 107 V 4.1158 8.4711 119.8929 62.7790 32.7406 174.9748 108 V 4.7854 8.6822 125.8431 61.1777 34.5100 173.8784 109 V 4.9420 8.6212 127.4935 61.6626 33.2805 174.6729 110 T 4.6660 9.4617 123.5350 61.6664 72.6741 173.0869 111 G 4.2206 8.2110 112.2694 44.9701 0.0000 172.9734 112 G 3.6294 8.1836 113.4380 45.5169 0.0000 172.1786 113 F 5.1079 8.4016 114.6644 58.4038 40.1725 175.5612 114 Q 4.5493 7.6315 119.7502 53.2260 32.1538 172.5983 115 P 4.4011 0.0000 0.0000 63.6684 31.8679 177.1296 116 G 3.9594 9.7100 109.2654 45.4381 0.0000 172.8460 117 Q 4.5425 7.2275 116.4120 54.4890 31.8432 173.6404 118 S 4.7675 8.2706 110.7654 55.8993 66.1141 174.9274 119 T 3.7644 8.3100 110.4500 64.0614 67.9900 176.1861 120 A 3.8369 7.7685 123.7501 55.1176 18.4576 179.1428 121 A 3.8477 7.7947 119.2856 55.4582 18.4429 179.8826 122 V 3.3254 7.6291 115.8048 66.0489 31.3522 177.8548 123 A 3.7780 8.1366 120.5453 54.9275 18.2021 179.3745 124 A 3.8107 7.9962 119.3094 55.2459 18.5170 179.4616 125 L 3.8118 8.1665 117.6651 58.2987 41.8982 180.2147 126 V 3.0781 8.0060 117.8277 65.5302 31.1802 177.9624 127 A 3.7450 7.8853 120.7877 54.9155 18.2771 179.0648 128 E 3.7577 8.4873 117.9312 59.5859 29.5607 179.0219 129 A 4.0702 8.1753 119.6664 54.2509 18.4145 178.6286 130 S 4.2712 7.3437 110.2150 57.1339 63.6763 174.1225 131 S 3.6927 7.7430 116.7698 59.9427 60.6363 172.3339 132 S 4.8126 8.0827 115.6005 56.9252 63.7646 175.2005 133 K 4.2998 8.6150 124.1294 58.1872 33.3352 176.6328 134 T 5.0472 7.8685 116.5906 61.3999 72.5866 172.6012 135 L 4.8298 8.9722 128.1234 53.3064 44.6804 175.2421 136 V 4.3107 8.7670 128.4733 62.0139 33.0041 175.0532 137 V 4.4381 8.7117 129.5325 61.4771 32.5253 174.2467 138 A 4.9104 8.8799 131.8180 51.3742 20.0679 175.7711 139 T 5.1149 8.9625 118.0562 60.7645 71.4208 173.8334 140 N 4.1616 8.7027 118.3195 52.8276 37.5895 174.4967 141 V 4.4422 7.0306 117.6898 61.0837 34.2882 175.1293 142 D 4.4923 8.8484 123.0855 55.7493 41.5837 177.8223 143 G 3.8020 6.9328 105.7342 46.3343 0.0000 171.4835 144 V 4.0760 8.9850 121.3322 61.5411 33.0704 175.3757 145 Y 5.1337 7.9492 122.4869 55.8800 41.4516 176.3153 146 E 3.9533 8.9939 122.7290 59.3578 29.8221 177.5398 147 K 4.4366 7.3908 113.9814 55.2225 35.6161 174.8719 148 D 4.4715 8.7503 120.5658 53.3796 39.4142 175.9180 149 P 4.3771 0.0000 0.0000 65.0623 31.7214 177.8570 150 R 4.0369 8.1500 116.7607 58.8836 30.0454 177.4544 151 I 4.0449 7.4016 114.9926 61.5764 38.5739 175.5411 152 Y 4.4958 7.7182 116.8766 55.9673 39.5683 175.1412 153 A 4.4425 8.4049 126.1431 52.3376 20.2498 176.3195 154 D 4.3723 8.4627 117.5513 55.4344 38.0355 174.3073 155 V 4.0990 7.7670 118.8018 61.4828 32.6423 175.0098 156 K 4.5084 8.3740 132.7144 55.6473 33.4997 174.4133 157 L 4.7628 8.4466 118.4739 53.3254 44.1909 177.1995 158 I 4.0780 8.3046 127.5552 59.8516 35.8181 174.7219 159 P 4.5588 0.0000 0.0000 65.5682 32.1950 175.7837 160 H 5.0700 7.4148 116.1730 54.8599 33.4175 172.7148 161 L 4.4932 8.1964 120.5094 55.9218 44.5046 172.4691 162 T 5.0150 8.4110 108.5547 59.7088 72.1382 175.1791 163 T 3.8750 9.7091 118.6541 67.1074 68.1748 176.8956 164 Q 4.0069 7.7729 118.4421 58.8824 28.4768 178.5063 165 D 4.2992 7.9234 118.5280 57.3975 41.1024 178.1214 166 L 4.0577 7.7412 119.2691 57.9600 42.1809 178.9701 167 R 4.0982 7.8333 118.2103 59.1869 29.8824 178.9487 168 K 4.0773 7.4833 112.8059 55.6500 32.2132 176.5606 169 I 4.2483 8.3229 119.6573 61.6661 37.3010 176.1526 *183 L 4.1003 9.2815 127.2895 55.3638 43.6969 173.5427 184 L 3.3828 7.8839 124.4537 54.5592 39.3226 174.5804 185 D 4.7167 8.1013 124.0784 51.2820 42.1857 174.8281 186 P 4.1417 0.0000 0.0000 66.4108 30.7250 177.8230 187 L 3.8619 7.9773 120.0319 57.3003 41.8229 178.5798 188 A 3.9334 8.7528 120.8432 55.2668 18.3173 179.5941 189 I 3.5786 7.6128 118.0734 64.4164 37.2522 178.2764 190 K 3.7937 8.2077 120.6610 59.8210 31.9316 178.7239 191 I 3.6811 7.9990 119.8775 64.6182 37.1062 178.9444 192 V 3.6588 8.0274 113.3859 64.1881 31.2536 178.6759 193 E 3.9187 8.3676 118.8324 59.4034 29.2679 179.3594 194 R 3.9108 7.8744 114.0776 58.7955 29.4754 177.5236 195 S 4.4944 8.0773 111.6649 57.0157 63.6096 174.3598 196 K 3.7914 7.4722 118.6799 57.4626 29.4973 174.1236 197 I 4.6765 8.3088 118.6666 59.4221 39.4916 177.1934 198 R 4.4775 8.8093 124.0943 55.4129 31.5470 175.3266 199 V 4.7016 8.3827 122.3140 61.3787 33.8895 174.3071 200 I 4.7164 8.5715 129.2829 59.6576 39.0804 174.7723 201 V 4.4733 8.7348 129.4883 62.2736 32.7826 174.9282 202 M 5.2429 8.8303 124.2752 53.8064 35.7770 173.2702 203 N 5.0001 8.4847 117.6388 52.4433 39.7627 175.1828 204 Y 4.4431 8.1847 124.1953 59.1360 38.1958 178.4246 205 R 4.1402 8.5831 120.0573 58.6158 30.3858 177.2993 206 K 4.5849 8.3251 117.5036 56.1739 32.2021 178.1934 207 L 4.0857 7.6097 120.4834 56.7981 41.4649 177.7510 208 N 4.7256 8.0186 114.6813 53.5103 38.0069 175.3154 209 R 4.6849 8.1257 118.8474 55.5437 31.8785 177.3904 210 I 3.6604 7.9866 120.5407 64.2675 37.6987 177.1196 211 I 3.6314 7.5926 119.4021 64.3089 37.2087 177.7691 212 D 4.4657 7.9633 119.1714 57.3821 40.7804 178.2139 213 I 3.6326 7.6190 120.3816 64.8488 36.9662 178.1314 214 L 4.0483 7.7598 118.0371 57.2162 41.4599 178.5716 215 K 4.5961 7.8211 117.0122 56.6921 33.7189 177.1558 216 G 3.9202 7.8569 105.8077 47.2466 0.0000 175.0451 217 E 3.9766 7.8051 118.7593 56.3560 29.4522 176.5618 218 E 3.8927 8.3914 122.7683 55.9810 31.1214 177.0271 219 V 3.5592 8.2154 122.4473 63.8103 31.7458 175.2116 220 S 4.7032 7.8859 119.2908 58.0084 65.5744 174.8077 221 S 4.7387 8.5288 116.8698 56.7902 65.6084 173.2774 222 I 4.7441 7.9329 124.9838 59.6845 39.2474 174.7884 223 I 4.5179 8.9724 129.6549 60.3033 38.2155 174.9380 224 E 4.8469 9.0804 128.1867 54.3701 31.1065 174.3052 225 P 4.8201 0.0000 0.0000 62.6098 32.5609 176.8086 226 V 3.9933 8.0012 114.0999 62.0721 32.5329 174.0950 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 M 8.16 4.43 0.00 1.98 2.02 0.00 0.00 0.00 0.00 0.00 -0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.55 0.00 2 N 8.63 5.34 0.00 2.86 2.99 0.00 0.00 6.25 6.44 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 3 I 9.67 4.85 2.19 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 1.30 1.84 1.28 0.00 0.00 4 I 8.35 4.87 1.80 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.81 0.86 0.00 0.00 5 L 9.02 4.88 0.00 1.65 1.49 0.86 0.39 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 6 K 9.37 4.65 0.00 1.74 1.64 0.00 1.67 0.00 0.00 1.62 0.00 0.00 2.80 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.30 1.49 7.81 7 I 8.51 4.33 1.85 0.00 0.00 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 1.03 -0.01 0.00 0.00 8 S 8.97 4.42 0.00 4.10 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 9 G 9.01 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 10 K 8.37 4.36 0.00 2.13 2.07 0.00 2.12 0.00 0.00 1.83 0.00 0.00 2.91 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.64 1.54 7.81 11 F 7.66 3.13 0.00 2.01 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 0.00 0.00 0.00 0.00 12 F 8.17 4.44 0.00 3.25 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 13 D 8.12 4.63 0.00 2.84 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 14 E 8.08 3.99 0.00 1.72 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 2.31 2.52 0.00 15 D 7.24 4.15 0.00 2.90 2.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 N 7.65 4.68 0.00 2.60 2.52 0.00 0.00 6.77 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 17 V 8.60 3.71 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 0.83 0.00 0.00 0.93 0.00 0.00 18 D 9.06 4.42 0.00 2.91 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 19 N 8.32 4.18 0.00 2.08 1.42 0.00 0.00 6.83 6.41 0.00 0.00 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 L 7.71 4.15 0.00 1.72 1.80 1.01 1.08 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 21 I 7.54 3.74 1.89 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 1.88 1.17 0.93 0.00 0.00 22 V 7.83 3.64 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 0.98 0.00 0.00 0.98 0.00 0.00 23 L 8.29 4.03 0.00 1.93 2.14 0.81 0.77 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 24 R 8.43 3.97 0.00 2.02 2.20 0.00 3.23 0.00 0.00 3.32 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.72 0.00 25 Q 8.24 4.15 0.00 2.14 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.59 0.00 0.00 0.00 0.00 0.00 2.64 2.53 0.00 26 S 8.25 4.13 0.00 4.01 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 0.00 27 I 7.84 3.80 1.90 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 1.81 1.41 0.95 0.00 0.00 28 K 7.66 4.08 0.00 2.14 1.87 0.00 1.69 0.00 0.00 1.67 0.00 0.00 2.97 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.48 1.66 7.81 29 E 7.98 3.95 0.00 2.10 1.93 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 2.34 2.44 0.00 30 L 8.16 3.69 0.00 1.60 1.53 0.85 0.06 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 31 A 7.94 4.32 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 32 D 8.18 4.86 0.00 2.65 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 N 7.79 5.11 0.00 2.92 2.97 0.00 0.00 6.88 6.97 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 34 G 8.65 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 F 8.09 5.17 0.00 2.94 3.02 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 36 R 8.85 4.65 0.00 2.08 1.76 0.00 2.84 0.00 0.00 2.87 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.47 0.00 37 V 8.69 5.04 2.20 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 1.12 0.00 0.00 1.04 0.00 0.00 38 G 9.32 4.69 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 0.00 0.00 0.00 39 I 9.09 5.22 1.92 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 1.14 0.98 0.91 0.00 0.00 40 V 8.76 4.79 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 0.97 0.00 0.00 0.74 0.00 0.00 41 T 8.80 5.04 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 1.33 0.00 0.00 42 G 8.68 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 43 G 8.87 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 G 8.19 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 45 S 9.29 4.21 0.00 4.08 4.29 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 46 T 8.12 3.94 4.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 47 A 8.04 4.10 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 R 7.89 3.89 0.00 2.09 2.04 0.00 3.19 0.00 0.00 3.13 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.70 0.00 49 R 8.76 3.84 0.00 1.81 2.09 0.00 2.95 0.00 0.00 3.09 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 1.53 0.00 50 Y 8.39 3.92 0.00 3.21 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 51 I 8.28 3.80 2.04 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.88 0.96 0.00 0.00 52 K 8.69 3.84 0.00 1.85 2.14 0.00 1.54 0.00 0.00 1.58 0.00 0.00 3.26 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.43 1.49 7.81 53 L 8.21 3.92 0.00 1.68 1.80 0.89 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 54 A 8.54 3.88 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 55 R 8.58 3.86 0.00 1.95 2.15 0.00 3.14 0.00 0.00 3.11 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.67 0.00 56 E 8.10 3.99 0.00 2.26 2.02 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 2.33 2.28 0.00 57 I 7.32 4.27 1.88 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 1.40 0.79 0.92 0.00 0.00 58 G 8.45 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 59 I 7.66 3.93 2.00 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 1.48 0.90 1.04 0.00 0.00 60 G 8.72 3.98 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 0.00 0.00 0.00 61 E 8.88 3.99 0.00 2.11 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 0.00 2.39 2.46 0.00 62 A 7.90 3.85 0.97 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 0.00 0.00 63 Y 7.75 4.15 0.00 3.25 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 64 L 8.22 4.14 0.00 1.89 1.78 0.97 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 65 D 8.14 4.36 0.00 2.90 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 66 L 7.86 3.94 0.00 2.03 1.94 0.85 0.65 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 67 L 8.27 4.30 0.00 2.01 1.85 1.07 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 68 G 8.19 3.66 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 0.00 0.00 0.00 69 I 7.97 3.61 1.81 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 1.40 0.69 0.56 0.00 0.00 70 W 8.60 4.33 0.00 3.43 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 71 A 8.34 4.02 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 72 S 8.37 4.18 0.00 4.17 4.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 R 8.17 3.85 0.00 2.27 2.21 0.00 2.26 0.00 0.00 2.83 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.58 0.00 74 L 8.11 4.19 0.00 1.92 1.89 0.94 0.50 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 75 N 7.96 4.00 0.00 2.52 1.47 0.00 0.00 6.87 7.46 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 76 A 7.60 3.79 1.08 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 0.00 0.00 77 Y 8.07 3.42 0.00 2.93 2.35 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 78 L 7.58 3.92 0.00 1.78 1.80 1.03 0.95 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 79 V 7.64 3.74 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 0.92 0.00 0.00 1.23 0.00 0.00 80 M 8.17 4.18 0.00 1.99 1.94 0.00 0.00 0.00 0.00 0.00 2.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.74 0.00 81 F 8.41 4.67 0.00 3.16 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 82 S 7.87 4.40 0.00 4.16 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 0.00 83 L 8.20 4.40 0.00 1.77 1.79 1.00 0.76 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 84 Q 7.14 3.48 0.00 2.34 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.07 6.15 0.00 0.00 0.00 0.00 0.00 2.39 2.43 0.00 85 D 9.47 4.83 0.00 2.92 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 86 L 7.83 4.70 0.00 1.91 1.65 0.95 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 87 A 7.82 5.31 1.30 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 88 Y 9.08 4.33 0.00 2.87 2.95 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 89 M 7.97 4.47 0.00 2.07 1.90 0.00 0.00 0.00 0.00 0.00 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.47 0.00 90 H 7.28 4.63 0.00 2.87 3.12 0.00 5.70 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 V 7.94 4.12 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 0.69 0.00 0.00 -0.15 0.00 0.00 92 P 0.00 4.52 0.00 2.49 2.38 0.00 4.03 0.00 0.00 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.35 0.00 93 Q 8.70 4.67 0.00 2.05 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.66 0.00 0.00 0.00 0.00 0.00 2.38 2.47 0.00 94 S 7.16 3.79 0.00 3.72 3.73 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 95 L 7.08 3.40 0.00 1.51 1.46 0.91 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 96 E 7.89 3.91 0.00 1.97 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 2.35 2.31 0.00 97 E 8.27 4.00 0.00 2.13 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 0.00 2.39 2.33 0.00 98 F 8.30 4.10 0.00 3.28 3.26 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 99 I 7.89 3.82 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 1.50 0.91 0.93 0.00 0.00 100 Q 7.75 3.99 0.00 2.04 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.79 0.00 0.00 0.00 0.00 0.00 2.27 2.35 0.00 101 D 8.23 3.81 0.00 2.82 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 0.00 102 W 8.28 3.80 0.00 2.67 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 0.00 103 S 7.48 4.09 0.00 3.80 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 0.00 104 H 7.44 4.39 0.00 2.80 3.08 0.00 5.75 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 0.00 105 G 7.30 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 0.00 106 K 6.80 4.49 0.00 1.60 1.95 0.00 1.83 0.00 0.00 1.69 0.00 0.00 2.90 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.36 1.48 7.81 107 V 8.47 4.12 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 1.30 0.00 0.00 1.05 0.00 0.00 108 V 8.68 4.79 2.49 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 1.15 0.00 0.00 1.04 0.00 0.00 109 V 8.62 4.94 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 0.88 0.00 0.00 0.96 0.00 0.00 110 T 9.46 4.67 4.09 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 1.16 0.00 0.00 111 G 8.21 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 0.00 0.00 0.00 0.00 112 G 8.18 3.63 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 0.00 113 F 8.40 5.11 0.00 3.08 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 0.00 114 Q 7.63 4.55 0.00 2.04 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.23 7.00 0.00 0.00 0.00 0.00 0.00 2.29 2.33 0.00 115 P 0.00 4.40 0.00 2.01 1.99 0.00 3.69 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 2.00 0.00 116 G 9.71 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 Q 7.23 4.54 0.00 2.23 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.64 0.00 0.00 0.00 0.00 0.00 2.36 2.21 0.00 118 S 8.27 4.77 0.00 3.96 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 0.00 119 T 8.31 3.76 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 1.10 0.00 0.00 120 A 7.77 3.84 1.30 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 0.00 121 A 7.79 3.85 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 0.00 122 V 7.63 3.33 1.85 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 -0.02 0.00 0.00 0.44 0.00 0.00 123 A 8.14 3.78 1.28 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 0.00 124 A 8.00 3.81 1.30 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 0.00 125 L 8.17 3.81 0.00 1.84 1.76 1.03 0.81 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 0.00 126 V 8.01 3.08 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 0.03 0.00 0.00 -0.01 0.00 0.00 127 A 7.89 3.75 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 0.00 128 E 8.49 3.76 0.00 1.93 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 2.26 2.29 0.00 129 A 8.18 4.07 1.30 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 0.00 130 S 7.34 4.27 0.00 3.12 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 0.00 131 S 7.74 3.69 0.00 4.10 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 0.00 132 S 8.08 4.81 0.00 3.87 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 0.00 133 K 8.62 4.30 0.00 1.73 1.85 0.00 1.60 0.00 0.00 1.82 0.00 0.00 2.81 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.52 1.47 7.81 134 T 7.87 5.05 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 1.29 0.00 0.00 135 L 8.97 4.83 0.00 1.66 1.47 0.85 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 136 V 8.77 4.31 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 0.82 0.00 0.00 0.92 0.00 0.00 137 V 8.71 4.44 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 0.86 0.00 0.00 0.89 0.00 0.00 138 A 8.88 4.91 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 0.00 139 T 8.96 5.11 4.26 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 1.19 0.00 0.00 140 N 8.70 4.16 0.00 2.76 2.83 0.00 0.00 5.66 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 0.00 141 V 7.03 4.44 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 1.02 0.00 0.00 0.94 0.00 0.00 142 D 8.85 4.49 0.00 2.79 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 0.00 143 G 6.93 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 0.00 0.00 0.00 144 V 8.99 4.08 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 0.92 0.00 0.00 0.83 0.00 0.00 145 Y 7.95 5.13 0.00 3.00 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 0.00 146 E 8.99 3.95 0.00 1.96 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 2.32 2.34 0.00 147 K 7.39 4.44 0.00 1.76 1.49 0.00 0.61 0.00 0.00 1.12 0.00 0.00 2.81 0.00 0.00 2.48 0.00 0.00 0.00 0.00 1.10 1.10 7.81 148 D 8.75 4.47 0.00 2.90 2.95 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 0.00 149 P 0.00 4.38 0.00 1.79 1.75 0.00 3.62 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 1.15 0.00 150 R 8.15 4.04 0.00 2.11 1.97 0.00 3.34 0.00 0.00 3.21 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.61 0.00 151 I 7.40 4.04 1.58 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 1.18 0.64 0.39 0.00 0.00 152 Y 7.72 4.50 0.00 2.98 2.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 153 A 8.40 4.44 1.23 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 0.00 0.00 154 D 8.46 4.37 0.00 2.86 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 0.00 155 V 7.77 4.10 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 0.85 0.00 0.00 1.00 0.00 0.00 156 K 8.37 4.51 0.00 1.78 1.75 0.00 1.73 0.00 0.00 1.67 0.00 0.00 3.10 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.43 1.57 7.81 157 L 8.45 4.76 0.00 1.93 1.58 0.81 0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 158 I 8.30 4.08 1.79 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 1.47 0.94 0.87 0.00 0.00 159 P 0.00 4.56 0.00 2.11 2.29 0.00 3.71 0.00 0.00 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.02 0.00 160 H 7.41 5.07 0.00 3.08 3.18 0.00 5.89 0.00 0.00 0.00 0.00 6.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 161 L 8.20 4.49 0.00 1.81 1.73 0.92 0.65 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 0.00 162 T 8.41 5.01 4.34 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 1.21 0.00 0.00 163 T 9.71 3.88 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 1.25 0.00 0.00 164 Q 7.77 4.01 0.00 2.17 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.81 0.00 0.00 0.00 0.00 0.00 2.37 2.43 0.00 165 D 7.92 4.30 0.00 2.69 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 166 L 7.74 4.06 0.00 1.75 1.85 0.89 0.80 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 0.00 167 R 7.83 4.10 0.00 2.12 1.95 0.00 3.34 0.00 0.00 3.15 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 2.16 0.00 168 K 7.48 4.08 0.00 1.80 1.84 0.00 1.64 0.00 0.00 1.69 0.00 0.00 3.02 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.70 1.62 7.81 169 I 8.32 4.25 2.01 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 1.17 0.75 0.92 0.00 0.00 *183 L 9.28 4.10 0.00 1.63 1.73 0.93 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 184 L 7.88 3.38 0.00 1.80 1.67 0.89 0.99 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 0.00 185 D 8.10 4.72 0.00 2.88 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 0.00 186 P 0.00 4.14 0.00 2.26 2.36 0.00 3.70 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.03 0.00 187 L 7.98 3.86 0.00 1.75 1.69 0.90 1.12 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 0.00 188 A 8.75 3.93 1.40 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 0.00 189 I 7.61 3.58 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 1.39 0.71 0.89 0.00 0.00 190 K 8.21 3.79 0.00 1.78 1.98 0.00 1.62 0.00 0.00 1.63 0.00 0.00 2.93 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.43 1.49 7.81 191 I 8.00 3.68 1.95 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 1.73 0.99 0.92 0.00 0.00 192 V 8.03 3.66 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 0.84 0.00 0.00 1.01 0.00 0.00 193 E 8.37 3.92 0.00 2.24 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 0.00 2.31 2.29 0.00 194 R 7.87 3.91 0.00 1.91 2.14 0.00 3.02 0.00 0.00 3.20 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.59 0.00 195 S 8.08 4.49 0.00 3.98 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 0.00 196 K 7.47 3.79 0.00 1.84 1.79 0.00 1.66 0.00 0.00 1.69 0.00 0.00 3.01 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.46 1.37 7.81 197 I 8.31 4.68 1.84 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 1.41 0.68 0.98 0.00 0.00 198 R 8.81 4.48 0.00 2.02 2.04 0.00 2.75 0.00 0.00 3.11 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.57 0.00 199 V 8.38 4.70 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 0.97 0.00 0.00 0.90 0.00 0.00 200 I 8.57 4.72 1.85 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 1.09 0.55 0.87 0.00 0.00 201 V 8.73 4.47 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 0.89 0.00 0.00 0.88 0.00 0.00 202 M 8.83 5.24 0.00 2.07 2.06 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 2.48 0.00 203 N 8.48 5.00 0.00 2.73 2.65 0.00 0.00 6.62 7.56 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 0.00 204 Y 8.18 4.44 0.00 3.14 3.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 205 R 8.58 4.14 0.00 2.15 2.07 0.00 3.38 0.00 0.00 3.31 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.73 0.00 206 K 8.33 4.58 0.00 1.86 1.79 0.00 1.64 0.00 0.00 1.63 0.00 0.00 2.88 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.38 1.38 7.81 207 L 7.61 4.09 0.00 1.65 1.73 0.82 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 208 N 8.02 4.73 0.00 2.82 2.94 0.00 0.00 5.85 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 0.00 209 R 8.13 4.68 0.00 1.94 1.88 0.00 3.33 0.00 0.00 3.10 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.52 0.00 210 I 7.99 3.66 1.81 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.09 0.84 0.00 0.00 211 I 7.59 3.63 1.84 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 1.55 0.87 0.92 0.00 0.00 212 D 7.96 4.47 0.00 2.84 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 0.00 213 I 7.62 3.63 2.01 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 1.78 0.82 0.88 0.00 0.00 214 L 7.76 4.05 0.00 1.81 1.83 0.79 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 215 K 7.82 4.60 0.00 1.95 1.93 0.00 1.74 0.00 0.00 1.73 0.00 0.00 3.10 0.00 0.00 3.25 0.00 0.00 0.00 0.00 1.72 1.48 7.81 216 G 7.86 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 217 E 7.81 3.98 0.00 1.97 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 2.28 2.29 0.00 218 E 8.39 3.89 0.00 1.89 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.39 0.00 219 V 8.22 3.56 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 0.84 0.00 0.00 0.93 0.00 0.00 220 S 7.89 4.70 0.00 3.78 3.71 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 0.00 221 S 8.53 4.74 0.00 3.64 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 0.00 222 I 7.93 4.74 1.79 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 1.17 0.60 0.97 0.00 0.00 223 I 8.97 4.52 1.84 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 1.19 0.43 0.88 0.00 0.00 224 E 9.08 4.85 0.00 1.90 1.85 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 2.45 2.40 0.00 225 P 0.00 4.82 0.00 2.06 2.27 0.00 3.38 0.00 0.00 4.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.74 0.00 226 V 8.00 3.99 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 0.62 0.00 0.00 0.93 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.