NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 Q 4.2580 8.1876 121.7032 56.2489 30.8869 177.2887 6 S 3.9520 7.7968 112.4369 60.0510 62.9479 174.4562 7 R 3.9215 8.0274 122.6359 58.8052 30.4542 178.9336 8 E 3.8112 7.8554 118.8274 59.1542 29.9200 178.2279 9 R 3.5431 7.6375 118.6292 59.4855 30.0581 177.9102 10 L 3.8179 7.3976 119.6944 58.2961 41.8859 179.2353 11 V 3.5781 7.6194 117.6016 65.6806 31.4004 177.7540 12 K 3.9101 7.8203 118.8917 59.5819 32.1241 178.5742 13 W 5.2436 7.9423 120.1235 59.2768 28.9693 178.4271 14 L 4.0573 8.1369 118.7741 58.0559 41.1226 179.4382 15 Q 4.0764 8.3238 118.0211 59.2542 28.7082 178.8485 16 D 4.3646 8.6256 119.8440 57.2800 40.6424 178.6814 17 A 3.7791 8.1765 120.1970 55.5184 18.6289 178.7195 18 Y 4.1869 8.7673 117.9419 60.6636 38.7581 178.1197 19 A 4.2038 7.8536 118.6701 52.9055 18.0969 178.7607 *21 E 4.2581 8.0841 121.7009 57.8368 31.7195 178.5840 22 K 3.9966 7.4691 117.6592 58.5762 31.7380 179.2113 23 E 3.9594 7.8967 119.2143 59.2186 29.7136 178.3385 24 A 3.7572 7.8862 119.0952 54.5998 18.5463 178.8698 25 E 4.0168 7.6546 117.0327 59.1485 31.3638 179.3921 26 T 4.0465 7.1512 116.7630 63.6186 64.8718 174.2801 *29 A 4.1226 7.8532 126.9639 52.0511 21.1854 180.4535 30 A 3.7374 7.8037 116.3118 52.8535 18.4380 179.3166 *32 A 4.3785 8.1259 124.4507 53.7339 20.3434 180.0167 33 S 4.2624 8.0088 108.9396 60.2966 63.0510 175.0238 34 R 4.4421 7.2555 117.0478 55.8557 31.2923 175.9469 35 I 3.9217 7.4248 120.2500 61.1419 36.3719 174.9865 36 E 4.0913 8.0534 127.4708 57.6423 29.9967 176.1864 37 H 4.6380 7.4917 116.3511 56.0233 29.4773 175.9353 38 Y 4.8848 7.2579 118.5608 55.1553 39.0258 173.8682 39 P 4.3699 0.0000 0.0000 64.9204 31.7701 177.5115 40 E 4.1131 8.2806 117.8303 58.7866 29.3298 178.1278 41 L 4.0068 8.1250 120.0305 57.7300 42.2919 178.6019 42 K 4.0047 8.0251 119.7634 59.0283 32.1820 178.8624 43 R 3.8300 8.2191 119.5998 59.3282 29.9682 178.4718 44 R 3.5312 7.7656 118.5137 59.0862 29.7103 178.6214 45 I 3.6201 7.1765 118.9049 64.4064 37.4038 177.8983 46 E 3.7552 7.9484 119.1235 59.6224 29.1957 179.4773 47 Q 3.8517 8.0320 119.2444 59.5548 29.1168 177.7298 48 H 4.4354 8.1256 120.6244 58.6229 29.5603 176.8758 49 V 3.6539 8.2020 119.6214 66.1333 31.5571 176.9899 50 E 4.1940 7.9755 118.3042 59.7449 28.9249 178.7873 51 E 3.9628 8.7951 118.5936 59.7357 29.0958 178.9883 52 T 4.9528 8.4225 116.1910 64.4429 68.3285 176.5314 53 Q 3.9075 7.8358 120.9216 58.4450 29.1650 178.0083 54 Q 4.1089 7.9343 118.6168 58.8249 28.7922 178.4515 55 Q 4.0140 7.7564 118.6291 59.0961 28.9852 179.0692 56 S 4.3956 7.7408 113.6927 60.5657 62.9393 176.0349 57 A 4.3203 7.5414 123.0796 54.6249 18.5120 179.5410 58 G 3.6850 8.1186 104.6844 48.0497 0.0000 176.3568 59 V 3.7677 8.0838 120.8372 65.4566 31.0591 177.7263 60 Q 3.8825 8.2144 118.8747 58.2461 28.9326 177.3768 61 R 4.3528 7.9794 118.1592 57.4315 30.6218 178.5270 62 C 4.1233 7.9302 116.6974 62.8648 28.3743 175.4177 63 L 3.9485 7.6917 120.0478 58.0397 41.2962 179.1456 64 E 3.8968 7.7594 117.0010 59.7593 29.2621 179.2325 65 L 3.9777 7.5712 118.3047 57.9555 42.2771 178.2250 66 L 4.3670 7.6389 115.4331 53.8341 41.8496 176.3244 67 N 4.2003 7.7629 115.0100 54.1984 36.4884 174.6886 68 G 3.9193 7.8753 106.6350 44.4653 0.0000 174.3568 69 S 4.5227 8.1662 114.8869 57.0572 64.7559 173.1858 70 I 4.2030 7.6939 120.8688 58.6985 38.4244 174.4629 71 P 4.3656 0.0000 0.0000 62.5637 31.8005 176.3199 72 T 4.0142 8.4388 112.5418 60.7887 68.9264 174.2044 73 A 3.9406 8.7128 129.4518 53.0099 18.8573 177.9988 74 K 4.4791 8.3478 124.3796 54.4061 31.1349 176.7288 75 G 3.7656 7.9365 108.6929 47.1473 0.0000 173.0061 *77 L 4.2662 7.9503 119.4916 54.2847 43.6709 178.3548 78 S 4.4782 7.6356 111.8335 60.7013 63.7273 176.1896 79 S 4.0456 7.9874 118.0790 61.0084 62.8402 176.4394 80 V 3.9078 7.6230 119.4549 65.0369 31.4881 177.5212 81 L 3.9863 7.8795 118.6040 57.9485 41.8877 178.3862 82 A 4.2265 8.5304 120.5708 53.0104 18.3614 177.4769 83 S 4.4187 7.3645 113.7109 56.9552 64.3308 173.7003 *93 T 4.2200 8.1643 119.1651 61.8443 68.5559 173.5761 94 D 4.3954 9.1042 123.0577 58.6348 41.4675 180.1398 95 E 3.6229 7.5590 119.2770 58.5519 31.0080 178.8835 96 V 3.5957 7.6568 116.7171 66.0834 32.1618 177.5811 97 T 3.8222 7.4614 108.7395 64.8525 68.6835 176.2502 98 K 3.9727 7.7664 121.5595 58.9687 32.0089 179.5570 99 G 3.5940 8.0721 105.7837 47.3592 0.0000 176.1321 100 V 3.6992 7.6360 120.4664 65.9277 31.5755 178.2581 101 G 3.7024 8.0460 104.9753 47.9037 0.0000 175.0908 102 I 3.7706 7.9140 122.4871 64.5653 37.1518 178.6496 103 S 4.1881 8.3153 115.6327 61.6249 62.4183 176.1262 104 Y 4.1635 8.5195 121.3863 60.7358 38.8019 177.7088 105 A 3.9813 8.5194 121.9614 55.2972 18.5255 179.2621 106 F 3.8231 8.3079 119.0273 61.4810 39.3922 177.0965 107 E 4.0104 8.5342 118.3641 59.8863 29.2034 179.1179 108 H 4.1671 8.2001 116.3493 58.3835 28.6572 177.5981 109 L 3.7576 7.6485 121.9497 58.0156 41.8777 178.7742 110 E 3.8026 7.8419 118.6145 59.1699 29.5316 179.1413 111 I 3.6801 8.0450 120.0837 64.5784 37.1799 178.3793 112 A 3.9715 8.0993 121.4766 55.0463 18.0425 179.9559 113 S 3.6819 7.9065 113.7347 61.9778 62.8643 176.6072 114 Y 4.0399 8.4003 119.2658 60.6912 37.0288 178.6705 115 R 3.9590 7.9086 119.0082 58.8125 30.2338 178.8308 116 A 3.8259 7.9552 120.8096 55.1525 18.2921 179.5557 117 L 4.3070 8.1009 117.9186 58.0355 41.7211 179.9457 118 V 3.6359 8.1509 118.2124 66.0498 31.5138 177.9952 119 V 3.6184 7.4144 117.3376 66.2013 30.9221 177.6702 120 A 3.9722 8.1594 119.6909 55.2664 18.1701 179.4874 121 A 3.8206 8.5314 119.5758 55.4425 18.4286 180.0929 122 R 3.9822 8.2567 116.3950 58.8509 29.9857 178.4716 123 S 4.3445 8.4166 111.2596 59.5079 62.2950 173.9320 124 A 4.5592 6.9600 121.7214 51.6796 19.4883 176.0732 125 G 4.0518 8.3549 104.4190 47.5869 0.0000 176.0631 126 E 4.3966 7.9053 121.4513 54.9997 26.8182 176.6488 127 Q 4.0684 7.9672 121.9593 58.6449 29.3883 177.6243 128 E 3.8856 8.1576 119.3547 59.4544 29.5467 179.4335 129 V 3.6207 7.7827 117.5625 65.6902 31.7604 177.6653 130 A 4.0194 8.0338 120.6216 55.4501 18.1743 179.5073 131 Q 3.9871 8.8452 118.5043 58.9990 29.1368 178.5150 132 I 3.7274 7.6114 121.0687 64.7261 37.2707 178.1819 133 C 4.3550 8.1953 116.8824 62.0226 27.8209 175.8538 134 E 3.8627 7.9592 121.5011 59.5226 29.3040 178.4790 135 D 4.3249 7.8075 118.9525 57.1767 40.7007 179.1641 136 I 3.6234 7.2460 119.4850 64.2678 37.0341 177.8427 137 L 3.9994 7.2411 121.2125 58.4882 41.8882 178.9215 138 Q 3.9745 8.1611 117.6509 59.4085 28.5056 179.3823 139 Q 4.0385 7.9111 117.5319 58.7525 28.7446 178.4116 140 E 4.2548 8.6542 121.4242 58.8213 29.8681 178.6579 141 I 3.8512 8.3364 120.4426 64.5616 37.1022 178.0130 142 E 3.6696 7.9840 116.1614 57.6496 29.4860 177.9585 *144 A 4.3558 7.8846 121.8819 52.1396 20.7906 179.3835 145 E 4.0099 8.4296 116.0494 59.2280 29.5556 178.4147 146 W 4.1699 8.2651 127.2798 60.6894 31.0017 177.3880 147 L 4.5240 8.4266 118.0664 58.2483 41.0817 179.2713 148 I 3.4376 8.1771 118.4286 63.9606 37.7114 177.1058 149 E 4.1916 8.2878 116.0745 57.5810 29.3743 176.9321 150 H 4.4805 7.8884 116.1969 55.4311 31.6366 175.5714 151 Q 3.7803 7.7941 120.8127 59.2785 28.6600 178.6751 152 E 3.8605 8.0526 119.0384 59.4473 29.7957 178.3439 153 A 4.1291 7.9477 120.0985 55.2809 18.3153 179.6089 154 I 3.5481 7.6403 118.1810 64.3367 37.1969 178.6123 155 V 3.6435 8.3745 119.5828 66.1247 31.3367 177.9629 156 V 3.5962 8.4010 117.9505 66.1590 31.3965 177.6166 157 A 4.2508 8.1813 120.3653 55.2968 18.2253 179.5660 158 F 4.2152 8.4879 119.0651 61.7252 39.4222 177.6029 159 L 3.5771 8.0050 116.9760 57.4261 41.7132 179.0959 160 E 4.2510 8.2576 118.9364 59.1010 29.3190 179.1625 161 R 3.7982 7.7161 118.4980 59.3651 29.9569 178.0824 162 E 3.8586 7.4913 117.5059 59.0222 29.4985 177.5777 163 Q 4.3018 7.3677 116.8812 56.2048 29.0912 175.9841 164 L 4.3764 7.4640 124.1279 54.8541 42.0634 176.0161 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 5 Q 8.19 4.26 0.00 2.10 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.92 6.86 0.00 0.00 0.00 0.00 0.00 2.27 2.35 0.00 6 S 7.80 3.95 0.00 4.16 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 7 R 8.03 3.92 0.00 1.87 1.92 0.00 3.16 0.00 0.00 3.24 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.65 0.00 8 E 7.86 3.81 0.00 2.07 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.32 0.00 9 R 7.64 3.54 0.00 1.68 1.65 0.00 2.21 0.00 0.00 2.25 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.94 0.00 10 L 7.40 3.82 0.00 1.72 1.67 1.01 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 11 V 7.62 3.58 2.19 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 1.01 0.00 0.00 0.93 0.00 0.00 12 K 7.82 3.91 0.00 1.81 1.81 0.00 1.94 0.00 0.00 1.71 0.00 0.00 2.97 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.45 1.66 7.81 13 W 7.94 5.24 0.00 3.42 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 14 L 8.14 4.06 0.00 2.00 1.79 0.96 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 15 Q 8.32 4.08 0.00 2.32 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.79 0.00 0.00 0.00 0.00 0.00 2.39 2.70 0.00 16 D 8.63 4.36 0.00 2.77 2.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 A 8.18 3.78 1.27 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 0.00 0.00 18 Y 8.77 4.19 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 19 A 7.85 4.20 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 *21 E 8.08 4.26 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 2.61 2.37 0.00 22 K 7.47 4.00 0.00 1.71 1.75 0.00 1.54 0.00 0.00 1.33 0.00 0.00 2.45 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.05 1.22 7.81 23 E 7.90 3.96 0.00 2.04 2.11 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 2.14 2.30 0.00 24 A 7.89 3.76 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 25 E 7.65 4.02 0.00 1.88 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 2.29 0.00 26 T 7.15 4.05 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 1.17 0.00 0.00 *29 A 7.85 4.12 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 30 A 7.80 3.74 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 *32 A 8.13 4.38 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 33 S 8.01 4.26 0.00 4.00 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 34 R 7.26 4.44 0.00 1.88 1.98 0.00 3.15 0.00 0.00 3.22 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.79 0.00 35 I 7.42 3.92 1.91 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.81 1.09 0.00 0.00 36 E 8.05 4.09 0.00 1.50 1.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.47 0.00 37 H 7.49 4.64 0.00 2.31 2.88 0.00 5.64 0.00 0.00 0.00 0.00 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 Y 7.26 4.88 0.00 3.05 2.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 P 0.00 4.37 0.00 2.22 2.12 0.00 3.72 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 2.15 2.15 0.00 40 E 8.28 4.11 0.00 2.26 2.25 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 2.60 2.64 0.00 41 L 8.12 4.01 0.00 1.98 1.95 1.03 0.46 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 42 K 8.03 4.00 0.00 2.10 1.94 0.00 1.70 0.00 0.00 1.58 0.00 0.00 3.19 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.42 1.56 7.81 43 R 8.22 3.83 0.00 1.88 1.98 0.00 3.15 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 1.53 1.58 0.00 44 R 7.77 3.53 0.00 0.88 0.94 0.00 2.67 0.00 0.00 2.25 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.93 0.00 45 I 7.18 3.62 1.87 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 1.45 0.54 0.86 0.00 0.00 46 E 7.95 3.76 0.00 1.99 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 2.30 2.48 0.00 47 Q 8.03 3.85 0.00 2.19 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.77 0.00 0.00 0.00 0.00 0.00 2.55 2.32 0.00 48 H 8.13 4.44 0.00 3.30 3.34 0.00 5.90 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 49 V 8.20 3.65 2.21 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 0.80 0.00 0.00 0.97 0.00 0.00 50 E 7.98 4.19 0.00 2.08 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.35 0.00 51 E 8.80 3.96 0.00 2.15 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 2.32 2.34 0.00 52 T 8.42 4.95 4.25 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 1.20 0.00 0.00 53 Q 7.84 3.91 0.00 2.26 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.96 6.80 0.00 0.00 0.00 0.00 0.00 2.35 2.38 0.00 54 Q 7.93 4.11 0.00 2.05 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.88 0.00 0.00 0.00 0.00 0.00 2.44 2.38 0.00 55 Q 7.76 4.01 0.00 2.30 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.83 0.00 0.00 0.00 0.00 0.00 2.40 2.56 0.00 56 S 7.74 4.40 0.00 3.60 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 57 A 7.54 4.32 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 G 8.12 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 0.00 0.00 0.00 59 V 8.08 3.77 2.38 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 1.21 0.00 0.00 1.23 0.00 0.00 60 Q 8.21 3.88 0.00 2.47 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.43 0.00 0.00 0.00 0.00 0.00 2.33 2.25 0.00 61 R 7.98 4.35 0.00 2.03 1.95 0.00 3.19 0.00 0.00 3.18 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 2.06 0.00 62 C 7.93 4.12 0.00 3.14 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.69 3.95 0.00 1.62 1.67 0.80 0.79 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 64 E 7.76 3.90 0.00 2.13 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 2.31 2.47 0.00 65 L 7.57 3.98 0.00 1.63 1.90 0.92 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 66 L 7.64 4.37 0.00 1.67 1.66 0.92 1.08 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 67 N 7.76 4.20 0.00 2.90 2.90 0.00 0.00 6.83 7.09 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 68 G 7.88 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 69 S 8.17 4.52 0.00 3.96 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 70 I 7.69 4.20 1.76 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 1.17 -0.08 0.78 0.00 0.00 71 P 0.00 4.37 0.00 2.26 2.09 0.00 3.58 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 2.37 2.16 0.00 72 T 8.44 4.01 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 1.23 0.00 0.00 73 A 8.71 3.94 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 74 K 8.35 4.48 0.00 1.75 1.77 0.00 1.81 0.00 0.00 1.72 0.00 0.00 3.04 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.36 1.42 7.81 75 G 7.94 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 0.00 0.00 0.00 *77 L 7.95 4.27 0.00 1.88 1.79 0.93 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 78 S 7.64 4.48 0.00 3.95 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 79 S 7.99 4.05 0.00 3.84 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 80 V 7.62 3.91 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 1.04 0.00 0.00 0.93 0.00 0.00 81 L 7.88 3.99 0.00 1.84 1.74 0.93 1.00 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 82 A 8.53 4.23 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 83 S 7.36 4.42 0.00 3.86 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 *93 T 8.16 4.22 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 1.28 0.00 0.00 94 D 9.10 4.40 0.00 2.80 2.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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0.92 0.00 0.00 103 S 8.32 4.19 0.00 4.14 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 0.00 104 Y 8.52 4.16 0.00 2.97 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 0.00 105 A 8.52 3.98 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 0.00 106 F 8.31 3.82 0.00 3.25 3.22 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 0.00 107 E 8.53 4.01 0.00 2.16 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 2.59 2.54 0.00 108 H 8.20 4.17 0.00 3.12 3.20 0.00 5.62 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 0.00 109 L 7.65 3.76 0.00 1.49 1.32 0.72 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 110 E 7.84 3.80 0.00 2.26 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.50 0.00 111 I 8.04 3.68 1.96 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 1.42 1.18 0.90 0.00 0.00 112 A 8.10 3.97 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 0.00 113 S 7.91 3.68 0.00 3.69 3.44 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 0.00 114 Y 8.40 4.04 0.00 3.04 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 0.00 115 R 7.91 3.96 0.00 2.03 1.96 0.00 3.13 0.00 0.00 3.16 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.81 0.00 116 A 7.96 3.83 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 0.00 117 L 8.10 4.31 0.00 1.96 1.90 0.79 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 118 V 8.15 3.64 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 1.04 0.00 0.00 1.12 0.00 0.00 119 V 7.41 3.62 2.21 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 1.01 0.00 0.00 1.03 0.00 0.00 120 A 8.16 3.97 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 0.00 121 A 8.53 3.82 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 0.00 122 R 8.26 3.98 0.00 2.02 2.00 0.00 3.15 0.00 0.00 3.35 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.89 0.00 123 S 8.42 4.34 0.00 3.80 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 A 6.96 4.56 1.19 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 0.00 0.00 125 G 8.35 4.05 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 0.00 0.00 0.00 126 E 7.91 4.40 0.00 2.16 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 2.53 2.47 0.00 127 Q 7.97 4.07 0.00 2.07 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.97 6.90 0.00 0.00 0.00 0.00 0.00 2.46 2.40 0.00 128 E 8.16 3.89 0.00 2.06 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 2.41 2.44 0.00 129 V 7.78 3.62 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 1.10 0.00 0.00 0.95 0.00 0.00 130 A 8.03 4.02 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 0.00 131 Q 8.85 3.99 0.00 2.29 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.75 0.00 0.00 0.00 0.00 0.00 2.36 2.45 0.00 132 I 7.61 3.73 2.13 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 1.73 0.98 0.95 0.00 0.00 133 C 8.20 4.36 0.00 3.24 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 0.00 134 E 7.96 3.86 0.00 2.29 2.11 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 2.30 2.39 0.00 135 D 7.81 4.32 0.00 2.63 2.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 136 I 7.25 3.62 0.97 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.92 0.23 0.00 0.00 137 L 7.24 4.00 0.00 1.90 1.97 0.99 0.88 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 0.00 138 Q 8.16 3.97 0.00 2.14 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.58 0.00 0.00 0.00 0.00 0.00 2.37 2.55 0.00 139 Q 7.91 4.04 0.00 2.08 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.97 0.00 0.00 0.00 0.00 0.00 2.37 2.61 0.00 140 E 8.65 4.25 0.00 2.05 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 2.43 2.58 0.00 141 I 8.34 3.85 2.05 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 1.60 0.78 0.92 0.00 0.00 142 E 7.98 3.67 0.00 2.25 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.41 0.00 *144 A 7.88 4.36 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 145 E 8.43 4.01 0.00 2.31 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.39 0.00 146 W 8.27 4.17 0.00 3.45 3.20 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 0.00 147 L 8.43 4.52 0.00 2.23 1.93 1.06 0.87 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 0.00 148 I 8.18 3.44 1.85 0.00 0.00 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.07 1.05 0.00 0.00 149 E 8.29 4.19 0.00 1.78 1.70 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 2.25 2.37 0.00 150 H 7.89 4.48 0.00 3.08 3.06 0.00 5.85 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 151 Q 7.79 3.78 0.00 1.90 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.80 0.00 0.00 0.00 0.00 0.00 2.26 2.29 0.00 152 E 8.05 3.86 0.00 2.00 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 2.35 2.35 0.00 153 A 7.95 4.13 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 0.00 154 I 7.64 3.55 1.79 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 0.63 0.60 0.18 0.00 0.00 155 V 8.37 3.64 2.25 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 1.06 0.00 0.00 0.87 0.00 0.00 156 V 8.40 3.60 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 0.96 0.00 0.00 157 A 8.18 4.25 1.62 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 0.00 158 F 8.49 4.22 0.00 3.32 3.34 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 0.00 159 L 8.00 3.58 0.00 1.66 1.66 1.01 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 160 E 8.26 4.25 0.00 2.01 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 2.31 2.52 0.00 161 R 7.72 3.80 0.00 1.98 1.83 0.00 2.97 0.00 0.00 2.81 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.53 0.00 162 E 7.49 3.86 0.00 1.74 1.70 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 2.19 2.20 0.00 163 Q 7.37 4.30 0.00 2.32 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.55 0.00 0.00 0.00 0.00 0.00 2.32 2.35 0.00 164 L 7.46 4.38 0.00 1.77 1.51 0.89 1.32 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 * Residues marked with a * may have inaccurate shift predictions.