NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 7 A 4.3332 8.2644 123.5811 52.1110 19.1715 175.7210 8 S 4.5361 8.1814 115.7693 55.3258 65.5591 172.2716 9 S 4.4252 9.4641 119.9139 58.8749 64.3258 173.3543 10 L 4.7808 7.6626 121.6233 51.9860 44.1691 175.2178 11 P 4.4018 0.0000 0.0000 62.5722 33.2329 177.6764 12 Q 4.0709 8.7509 122.3894 59.1032 28.9649 178.7641 13 S 4.1918 8.0670 115.2416 60.9930 63.1365 176.0577 14 F 4.2039 8.2135 123.7886 61.3384 39.2910 176.8936 15 L 3.6288 7.7894 118.0393 57.6577 41.3178 179.7366 16 L 3.8889 7.6112 118.4545 57.6303 41.6098 179.5387 17 K 3.9023 8.2456 118.8105 59.4814 31.9217 179.1168 18 C 3.8080 7.8806 117.1630 62.8773 28.1292 176.2769 19 L 3.7763 7.6015 120.3294 57.6169 41.2039 179.2219 20 E 3.9732 8.0016 119.3304 59.0456 29.4664 178.7975 21 Q 3.7918 7.6449 118.3892 58.2738 28.6295 178.6190 22 V 3.5978 7.5967 119.4349 66.1175 31.4338 178.1864 23 R 3.9534 7.9281 117.6736 59.1500 29.8924 179.0130 24 K 3.9409 7.8910 118.8839 59.7040 32.1940 179.0352 25 I 3.9214 8.0997 120.4946 64.4913 36.8790 178.4534 26 Q 4.1026 8.8477 119.3589 58.6026 28.4575 178.9070 27 G 3.6615 7.7397 106.5305 46.9949 0.0000 175.7923 28 D 4.4041 8.0289 121.2931 57.4165 40.9561 179.0344 29 G 3.6854 8.4392 106.2474 47.7272 0.0000 175.5202 30 A 3.9780 7.7556 122.9112 54.8627 18.4050 179.5042 31 A 3.9048 8.3044 119.6963 55.1184 18.4643 179.5505 32 L 3.8322 8.2798 119.1151 58.5776 42.1618 179.3005 33 Q 4.0981 8.6201 117.5760 58.0916 28.5019 178.3166 34 E 3.9096 7.9387 120.9124 58.6164 29.8052 178.0565 35 K 3.7760 7.9181 119.6589 59.7766 32.3351 178.7431 36 L 4.1727 7.9638 118.8746 57.6076 41.3528 178.3177 37 C 4.5006 7.7348 117.1084 58.1498 43.5235 175.1956 38 A 3.9801 7.7320 121.7568 54.6778 18.5135 179.3890 39 T 3.8547 8.0528 113.5651 66.2244 68.7154 175.9392 40 Y 4.8356 7.0626 114.4454 57.0785 38.3024 175.7388 41 K 4.2136 7.7435 116.2100 56.4546 29.8260 175.7580 42 L 4.5224 7.4941 120.1654 53.6393 40.2767 175.8190 43 C 4.5937 8.1875 117.5840 56.8245 41.5871 174.0171 44 H 4.7943 7.5971 116.6602 52.7002 29.9424 171.6250 45 P 4.3013 0.0000 0.0000 65.7655 31.4325 178.6544 46 E 3.9725 8.6009 118.4795 59.8562 29.0931 178.8998 47 E 4.0631 8.0583 116.6039 59.1605 29.7647 178.5388 48 L 4.5716 8.1004 117.7096 54.3823 41.8193 178.5080 49 V 3.6408 7.9735 122.0681 65.5718 31.0459 178.4760 50 L 4.1127 7.9821 119.7197 56.9041 41.5167 179.2348 51 L 4.2983 7.4724 119.8394 56.5340 41.4592 179.6660 52 G 3.7542 8.0650 106.2287 48.2597 0.0000 175.5135 53 H 4.2140 8.3748 118.9446 58.5707 28.3210 177.8174 54 S 4.1696 8.2405 116.4019 61.6719 62.8235 176.6308 55 L 4.0489 8.3191 118.7648 55.1990 41.7862 177.2439 56 G 3.6641 7.6671 106.0766 46.0332 0.0000 173.8843 57 I 3.8571 7.6198 121.3222 60.2564 36.5778 174.7419 58 P 4.4328 0.0000 0.0000 62.0771 31.7360 176.7067 59 W 4.6961 8.8798 119.3203 54.8091 30.3373 174.9852 60 A 3.7193 7.7253 120.2620 49.2989 20.6275 174.2970 61 P 4.1721 0.0000 0.0000 62.4279 32.6541 176.1173 62 L 4.7640 8.0583 117.0707 54.1651 43.0621 178.6897 63 S 4.1962 8.6213 116.1346 61.7098 62.7997 175.4224 64 S 4.3829 8.0854 114.3808 59.9490 62.8586 174.5248 65 C 4.4360 8.3061 118.5778 58.9225 40.7757 172.8104 66 P 4.5082 0.0000 0.0000 60.6341 30.1789 174.3225 67 S 4.3714 7.4705 111.9996 59.5864 67.5885 176.3999 68 Q 3.8103 8.4924 120.6645 56.0215 27.0987 172.7703 69 A 4.5079 7.3295 129.8769 52.8005 21.7074 176.7052 70 L 4.1777 8.4902 125.9514 54.9440 43.7980 176.9587 71 Q 4.6512 7.8490 117.1600 53.5516 29.8091 181.6776 72 L 5.3351 8.1792 127.3979 52.6314 40.4822 177.7805 73 A 4.1959 8.2727 123.1197 55.5972 18.7342 179.6797 74 G 3.5165 8.1105 104.2874 48.2280 0.0000 176.3470 75 C 4.3337 8.2858 121.0333 59.2870 37.9957 175.4638 76 L 3.8742 7.8695 120.0873 57.7195 41.1164 179.5663 77 S 4.3495 8.2687 115.4048 61.1660 62.8281 176.7369 78 Q 3.9981 8.1101 120.8593 58.8503 28.4986 178.2209 79 L 4.1289 8.0881 120.1479 58.2912 41.7538 179.1783 80 H 4.1680 8.1786 117.4954 59.4560 29.9241 177.5020 81 S 4.4033 8.3169 116.2068 61.1683 62.8274 176.7219 82 G 3.1745 8.7070 109.6845 47.6207 0.0000 175.8175 83 L 4.1298 8.1468 122.1754 57.2964 41.2760 179.4241 84 F 4.2181 8.6272 121.0596 60.8459 39.1239 177.1228 85 L 3.6169 7.6815 120.1835 58.2691 41.9342 178.6053 86 Y 4.0241 7.3498 116.1036 60.6666 37.5416 178.2472 87 Q 4.0731 8.0526 121.2345 58.8467 29.0758 178.4065 88 G 3.3475 7.3506 106.5786 47.5984 0.0000 175.7599 89 L 4.0878 8.0229 121.9379 57.5669 41.4428 179.6205 90 L 3.9619 7.6795 117.6994 57.9379 41.8209 179.3390 91 Q 4.0974 7.9529 117.7357 58.8358 28.4028 178.5354 92 A 4.1242 7.9292 121.0026 55.0220 18.6811 178.9627 93 L 3.8777 7.8138 115.6339 54.8718 42.1062 176.7848 94 E 3.7783 9.0802 118.7196 57.3736 27.5659 176.1755 95 G 3.7903 8.1570 104.9811 45.0904 0.0000 173.8241 96 I 3.4190 8.2528 122.9819 61.3636 36.4383 174.3448 97 S 4.6090 7.1533 111.3795 55.8564 66.5146 173.7023 98 P 4.2268 0.0000 0.0000 65.9160 31.1165 178.3870 99 E 4.0741 8.2609 116.3249 58.2193 29.8889 177.5356 100 L 4.6319 7.5502 116.2156 54.3464 42.5861 178.3021 101 G 3.8805 8.1778 107.3692 47.5597 0.0000 173.8985 102 P 4.2764 0.0000 0.0000 65.1780 31.5387 178.8985 103 T 3.8323 7.7949 114.0048 66.6488 68.4914 176.2813 104 L 3.9502 8.2278 122.5810 58.1145 42.0857 178.3949 105 D 4.3160 8.4936 118.4161 57.5746 41.1745 178.2296 106 T 3.8151 7.9693 116.1465 66.7148 68.5242 176.0363 107 L 3.9671 7.7620 121.8030 58.3994 41.9901 179.1140 108 Q 4.0767 8.3184 117.4608 58.9991 28.4794 178.3936 109 L 3.9667 7.9276 120.8837 57.7933 41.7911 178.7649 110 D 4.4511 7.9879 118.6756 57.7579 40.8733 179.5617 111 V 3.7685 7.9570 118.0598 65.8905 31.5053 177.8564 112 A 4.0877 8.3322 120.7263 55.5511 18.2399 179.4730 113 D 4.4194 8.5877 117.6510 57.3161 40.9108 178.8619 114 F 4.5529 8.4770 121.2672 61.1710 39.3252 177.0215 115 A 3.9922 8.3525 120.4306 55.5407 18.2190 179.3046 116 T 3.9763 8.1992 114.2557 67.5965 68.4655 176.5554 117 T 4.0508 8.3918 117.2591 67.0636 68.5909 176.7147 118 I 4.1232 8.0352 121.3496 63.9582 37.0515 178.0197 119 W 3.8939 8.5424 129.6878 60.5717 30.5753 177.8842 120 Q 4.1126 8.8197 118.3652 59.1279 28.1690 179.3306 121 Q 3.7047 7.7449 120.4680 59.1752 29.1628 177.8038 122 M 3.7467 7.5176 119.5039 58.7201 31.9410 177.9977 123 E 3.6233 7.8402 118.3742 59.3824 29.3513 178.9611 124 E 3.8401 8.1039 118.6622 59.9073 29.9471 179.6978 125 L 4.0691 8.0075 116.0648 55.7446 42.0435 178.3032 126 G 3.9280 8.6377 109.1799 45.3945 0.0000 175.1935 127 M 3.9646 7.3604 115.4992 55.7764 31.8229 178.4584 128 A 3.0855 7.0679 121.4651 52.5575 18.5000 175.8784 *137 A 4.2214 8.8737 117.7799 52.8321 19.6062 178.0175 138 M 4.3206 8.6656 114.3924 52.1860 34.1467 174.4434 139 P 4.1591 0.0000 0.0000 62.7584 32.1862 176.2132 140 A 4.1479 7.9778 120.7563 53.6753 19.8379 177.6751 141 F 3.8260 7.2476 109.5227 59.0195 35.7933 174.6528 142 A 4.5876 8.8201 122.0486 51.7158 19.3306 178.0131 143 S 4.5722 7.8706 112.1898 57.8669 66.4248 175.0838 144 A 3.8598 8.5017 123.5321 55.8466 17.8395 179.5741 145 F 3.9409 8.1637 117.3635 61.5905 39.5180 177.3644 146 Q 3.8212 8.0241 117.5989 59.0118 28.4216 179.1053 147 R 3.6808 8.5460 119.4605 59.1399 30.1537 179.3548 148 R 3.7442 7.9605 118.0327 58.8456 29.9891 179.0211 149 A 3.7869 8.1318 121.0943 55.0002 18.3255 179.8428 150 G 3.4792 8.3723 104.7747 47.7751 0.0000 176.0457 151 G 3.4200 7.8154 107.9936 47.6735 0.0000 176.0569 152 V 3.6250 7.5056 120.6114 65.3391 31.3760 178.2304 153 L 3.9306 7.9915 118.9904 57.6222 41.5134 179.4651 154 V 3.6110 7.9779 118.2173 65.8487 31.3730 177.8428 155 A 3.9362 8.0007 120.8562 55.2374 18.2553 179.7654 156 S 4.1150 7.8787 112.6861 61.6195 63.2146 176.3742 157 H 4.4684 8.4946 120.3534 58.2642 28.3663 177.4949 158 L 2.9445 7.9269 122.6151 57.9037 41.8362 178.8646 159 Q 3.9853 8.1532 118.1461 59.2129 28.6460 179.2742 160 S 4.1445 8.0834 115.9504 61.5116 62.8231 176.3675 161 F 4.2367 8.3621 123.3495 61.5967 39.0624 177.2673 162 L 3.9697 8.3689 118.6784 57.5984 41.2138 179.0779 163 E 3.9892 8.5600 119.7982 59.0090 29.5379 179.0681 164 V 3.5719 7.8258 118.5493 65.8945 31.6542 178.1781 165 S 3.9632 8.0232 115.1252 61.5739 62.6206 175.8143 166 Y 3.8111 8.3698 122.6051 60.8125 38.4021 178.6904 167 R 3.9032 7.6696 118.2070 59.3134 30.2635 178.8620 168 V 3.5613 7.6982 117.9733 66.2632 31.3931 178.1382 169 L 3.9028 8.2789 118.5688 57.8837 41.5132 179.4696 170 R 3.7982 8.1943 118.3377 59.5532 29.7594 178.5158 171 H 4.0775 8.3362 117.0844 59.3693 29.9723 176.9598 172 L 4.0979 7.7848 119.1572 57.7467 41.5615 179.0468 173 A 4.2110 8.3330 119.3121 53.0392 19.7917 177.3214 174 Q 4.4966 7.5515 117.8541 53.5319 28.8204 173.4070 175 P 4.3991 0.0000 0.0000 62.5743 31.6442 176.4389 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 7 A 8.26 4.33 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 8 S 8.18 4.54 0.00 3.86 3.68 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 9 S 9.46 4.43 0.00 3.99 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 10 L 7.66 4.78 0.00 1.71 1.79 1.06 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 11 P 0.00 4.40 0.00 2.26 2.00 0.00 3.68 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 2.09 2.12 0.00 12 Q 8.75 4.07 0.00 2.17 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.02 6.92 0.00 0.00 0.00 0.00 0.00 2.42 2.47 0.00 13 S 8.07 4.19 0.00 4.12 4.12 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 14 F 8.21 4.20 0.00 3.15 3.33 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 15 L 7.79 3.63 0.00 1.81 1.61 0.92 1.00 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 16 L 7.61 3.89 0.00 1.95 1.65 0.92 0.76 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 17 K 8.25 3.90 0.00 1.83 1.80 0.00 1.74 0.00 0.00 1.70 0.00 0.00 2.94 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.44 1.64 7.81 18 C 7.88 3.81 0.00 2.79 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 19 L 7.60 3.78 0.00 1.71 1.49 0.76 0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 20 E 8.00 3.97 0.00 2.10 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 2.24 2.31 0.00 21 Q 7.64 3.79 0.00 1.19 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.59 0.00 0.00 0.00 0.00 0.00 2.13 2.28 0.00 22 V 7.60 3.60 2.33 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 1.15 0.00 0.00 1.15 0.00 0.00 23 R 7.93 3.95 0.00 2.09 1.98 0.00 3.22 0.00 0.00 3.12 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 2.00 0.00 24 K 7.89 3.94 0.00 1.92 1.88 0.00 1.61 0.00 0.00 1.61 0.00 0.00 2.88 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.41 1.46 7.81 25 I 8.10 3.92 1.94 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.64 0.99 0.00 0.00 26 Q 8.85 4.10 0.00 2.24 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.76 0.00 0.00 0.00 0.00 0.00 2.38 2.56 0.00 27 G 7.74 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 28 D 8.03 4.40 0.00 2.90 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 29 G 8.44 3.69 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 30 A 7.76 3.98 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 31 A 8.30 3.90 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 32 L 8.28 3.83 0.00 1.71 1.86 0.90 0.67 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 33 Q 8.62 4.10 0.00 2.06 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.58 0.00 0.00 0.00 0.00 0.00 2.36 2.46 0.00 34 E 7.94 3.91 0.00 2.17 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 2.27 2.43 0.00 35 K 7.92 3.78 0.00 2.01 1.87 0.00 1.52 0.00 0.00 1.60 0.00 0.00 2.96 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.37 1.41 7.81 36 L 7.96 4.17 0.00 1.75 1.76 0.92 0.76 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 37 C 7.73 4.50 0.00 3.07 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 38 A 7.73 3.98 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 39 T 8.05 3.85 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 0.64 0.00 0.00 40 Y 7.06 4.84 0.00 3.16 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 41 K 7.74 4.21 0.00 1.87 1.90 0.00 1.96 0.00 0.00 0.61 0.00 0.00 3.04 0.00 0.00 3.21 0.00 0.00 0.00 0.00 1.38 1.37 7.81 42 L 7.49 4.52 0.00 1.88 1.65 0.95 1.08 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 43 C 8.19 4.59 0.00 2.54 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 44 H 7.60 4.79 0.00 3.16 3.53 0.00 5.64 0.00 0.00 0.00 0.00 6.89 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 4.30 0.00 2.24 2.35 0.00 3.76 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.04 0.00 46 E 8.60 3.97 0.00 2.11 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 2.44 2.53 0.00 47 E 8.06 4.06 0.00 2.11 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 2.40 2.50 0.00 48 L 8.10 4.57 0.00 1.79 1.69 0.88 0.84 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 49 V 7.97 3.64 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 0.98 0.00 0.00 50 L 7.98 4.11 0.00 1.76 1.80 0.94 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 51 L 7.47 4.30 0.00 1.90 1.80 1.05 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 52 G 8.06 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 0.00 0.00 0.00 53 H 8.37 4.21 0.00 3.29 3.36 0.00 5.65 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 54 S 8.24 4.17 0.00 3.93 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 55 L 8.32 4.05 0.00 1.70 1.62 1.08 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 56 G 7.67 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 57 I 7.62 3.86 2.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.96 1.10 0.00 0.00 58 P 0.00 4.43 0.00 1.92 1.96 0.00 3.64 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 2.12 0.00 59 W 8.88 4.70 0.00 3.63 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 60 A 7.73 3.72 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 P 0.00 4.17 0.00 2.16 1.91 0.00 3.17 0.00 0.00 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.83 0.00 62 L 8.06 4.76 0.00 1.68 1.60 0.58 0.68 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 63 S 8.62 4.20 0.00 4.04 4.12 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 64 S 8.09 4.38 0.00 3.95 3.97 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 65 C 8.31 4.44 0.00 3.09 3.12 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 66 P 0.00 4.51 0.00 2.05 2.02 0.00 3.91 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.10 0.00 67 S 7.47 4.37 0.00 3.96 3.76 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 68 Q 8.49 3.81 0.00 2.28 2.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.90 0.00 0.00 0.00 0.00 0.00 2.47 2.30 0.00 69 A 7.33 4.51 1.22 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 70 L 8.49 4.18 0.00 1.61 1.69 0.92 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 71 Q 7.85 4.65 0.00 1.98 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.07 6.78 0.00 0.00 0.00 0.00 0.00 2.25 1.87 0.00 72 L 8.18 5.34 0.00 1.82 1.84 0.93 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 73 A 8.27 4.20 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 74 G 8.11 3.52 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 75 C 8.29 4.33 0.00 3.18 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 76 L 7.87 3.87 0.00 1.86 1.71 0.90 1.18 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 77 S 8.27 4.35 0.00 4.08 3.97 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 78 Q 8.11 4.00 0.00 2.32 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.75 0.00 0.00 0.00 0.00 0.00 2.40 2.55 0.00 79 L 8.09 4.13 0.00 1.89 1.73 0.95 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 80 H 8.18 4.17 0.00 3.37 3.46 0.00 5.59 0.00 0.00 0.00 0.00 6.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 S 8.32 4.40 0.00 4.14 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 0.00 82 G 8.71 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 0.00 0.00 0.00 83 L 8.15 4.13 0.00 1.82 1.74 -0.11 1.07 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 84 F 8.63 4.22 0.00 2.88 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 85 L 7.68 3.62 0.00 1.49 1.25 0.68 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 86 Y 7.35 4.02 0.00 3.02 2.92 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 87 Q 8.05 4.07 0.00 2.23 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.82 0.00 0.00 0.00 0.00 0.00 2.40 2.37 0.00 88 G 7.35 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 0.00 0.00 0.00 89 L 8.02 4.09 0.00 1.74 1.84 0.85 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 90 L 7.68 3.96 0.00 1.63 1.72 0.99 0.98 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 91 Q 7.95 4.10 0.00 2.16 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.78 0.00 0.00 0.00 0.00 0.00 2.46 2.49 0.00 92 A 7.93 4.12 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 93 L 7.81 3.88 0.00 1.65 1.51 0.70 -0.23 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 94 E 9.08 3.78 0.00 2.03 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 2.28 2.29 0.00 95 G 8.16 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 0.00 0.00 0.00 96 I 8.25 3.42 1.87 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 1.38 0.37 0.93 0.00 0.00 97 S 7.15 4.61 0.00 4.08 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 98 P 0.00 4.23 0.00 2.06 2.18 0.00 3.72 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 2.05 2.16 0.00 99 E 8.26 4.07 0.00 1.94 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 0.00 2.16 2.37 0.00 100 L 7.55 4.63 0.00 1.87 1.68 0.83 0.84 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 0.00 101 G 8.18 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 0.00 0.00 0.00 102 P 0.00 4.28 0.00 2.16 2.10 0.00 3.60 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.17 0.00 103 T 7.79 3.83 4.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 104 L 8.23 3.95 0.00 1.71 1.65 0.88 1.01 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 0.00 105 D 8.49 4.32 0.00 2.86 2.82 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 0.00 106 T 7.97 3.82 4.40 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 1.31 0.00 0.00 107 L 7.76 3.97 0.00 1.79 1.85 0.94 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 108 Q 8.32 4.08 0.00 2.37 2.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.59 0.00 0.00 0.00 0.00 0.00 2.34 2.45 0.00 109 L 7.93 3.97 0.00 1.90 1.78 0.93 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 110 D 7.99 4.45 0.00 2.99 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 0.00 111 V 7.96 3.77 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 1.12 0.00 0.00 1.05 0.00 0.00 112 A 8.33 4.09 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 0.00 113 D 8.59 4.42 0.00 2.85 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 0.00 114 F 8.48 4.55 0.00 3.31 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 0.00 115 A 8.35 3.99 1.52 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 0.00 116 T 8.20 3.98 4.55 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 1.34 0.00 0.00 117 T 8.39 4.05 4.82 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 1.59 0.00 0.00 118 I 8.04 4.12 2.16 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.38 1.09 0.00 0.00 119 W 8.54 3.89 0.00 3.30 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 0.00 120 Q 8.82 4.11 0.00 2.17 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.60 0.00 0.00 0.00 0.00 0.00 2.55 2.88 0.00 121 Q 7.74 3.70 0.00 1.84 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.78 0.00 0.00 0.00 0.00 0.00 1.16 1.69 0.00 122 M 7.52 3.75 0.00 1.69 1.63 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 2.68 2.40 0.00 123 E 7.84 3.62 0.00 2.05 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 1.95 0.00 124 E 8.10 3.84 0.00 1.98 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 2.30 2.47 0.00 125 L 8.01 4.07 0.00 1.38 1.60 0.78 0.89 0.00 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 142 A 8.82 4.59 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 0.00 143 S 7.87 4.57 0.00 4.06 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 0.00 144 A 8.50 3.86 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 0.00 145 F 8.16 3.94 0.00 3.11 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 0.00 146 Q 8.02 3.82 0.00 2.38 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.59 0.00 0.00 0.00 0.00 0.00 2.59 2.59 0.00 147 R 8.55 3.68 0.00 1.98 1.84 0.00 3.14 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.84 0.00 148 R 7.96 3.74 0.00 1.65 1.73 0.00 2.72 0.00 0.00 2.25 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 1.49 0.00 149 A 8.13 3.79 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 150 G 8.37 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 0.00 151 G 7.82 3.42 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 0.00 152 V 7.51 3.63 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 1.00 0.00 0.00 0.97 0.00 0.00 153 L 7.99 3.93 0.00 1.70 1.56 0.98 0.71 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 0.00 154 V 7.98 3.61 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 1.22 0.00 0.00 1.05 0.00 0.00 155 A 8.00 3.94 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 0.00 156 S 7.88 4.11 0.00 4.05 4.14 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 0.00 157 H 8.49 4.47 0.00 3.37 3.64 0.00 5.64 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 158 L 7.93 2.94 0.00 1.46 1.66 0.54 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 159 Q 8.15 3.99 0.00 2.10 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.58 0.00 0.00 0.00 0.00 0.00 2.61 2.64 0.00 160 S 8.08 4.14 0.00 4.02 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 0.00 161 F 8.36 4.24 0.00 3.15 3.12 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 0.00 162 L 8.37 3.97 0.00 1.91 1.78 1.02 1.36 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 0.00 163 E 8.56 3.99 0.00 2.21 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 2.30 2.27 0.00 164 V 7.83 3.57 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 0.96 0.00 0.00 1.00 0.00 0.00 165 S 8.02 3.96 0.00 3.91 3.76 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 0.00 166 Y 8.37 3.81 0.00 3.24 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 0.00 167 R 7.67 3.90 0.00 2.15 1.98 0.00 3.41 0.00 0.00 3.19 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.82 0.00 168 V 7.70 3.56 2.17 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 1.01 0.00 0.00 0.88 0.00 0.00 169 L 8.28 3.90 0.00 1.45 1.52 0.90 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 170 R 8.19 3.80 0.00 1.90 1.98 0.00 3.19 0.00 0.00 3.20 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.41 0.00 171 H 8.34 4.08 0.00 3.16 3.58 0.00 5.76 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 172 L 7.78 4.10 0.00 1.90 1.72 0.98 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 0.00 173 A 8.33 4.21 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 0.00 174 Q 7.55 4.50 0.00 1.95 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.75 0.00 0.00 0.00 0.00 0.00 2.24 2.27 0.00 175 P 0.00 4.40 0.00 2.18 1.95 0.00 3.85 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.92 0.00 * Residues marked with a * may have inaccurate shift predictions.