NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 10 F 4.8146 8.1676 115.8771 57.1001 40.3341 177.3083 11 H 3.9949 5.2900 118.3187 54.0718 28.9092 170.4353 12 E 4.3619 9.4553 122.3915 57.4781 30.0561 176.7678 13 M 4.5828 7.1604 114.1882 54.9984 32.4196 176.3493 14 R 4.5760 7.7212 116.8045 55.5802 32.7036 175.6267 15 E 4.0933 7.9530 117.2888 54.9826 30.3302 174.5971 16 P 4.3284 0.0000 0.0000 63.1882 32.2069 175.0206 17 R 4.1526 7.5265 114.2884 55.5315 33.0106 173.7414 18 I 4.2760 8.4480 121.5942 60.5870 38.2596 174.9519 19 E 4.4893 8.8670 129.1797 54.4400 31.3435 172.2141 20 K 4.4880 8.7333 131.5842 55.3998 34.0731 174.3303 21 V 4.5669 7.8747 119.5998 61.2026 34.7581 173.9974 22 V 4.5525 8.3943 128.8722 61.6444 33.0530 174.9502 23 V 5.0913 8.2414 122.8782 59.4160 33.1775 174.7764 24 H 5.1210 8.5368 124.8024 54.6645 33.4814 172.0131 25 M 4.2912 8.4319 124.9617 53.3022 32.8774 175.0563 26 G 4.1060 7.9022 111.8027 46.3016 0.0000 171.1794 27 I 4.1362 7.6597 126.6965 60.4265 39.5806 176.2897 28 G 4.0732 7.7238 111.6592 45.4694 0.0000 172.5763 29 H 4.4927 7.8599 117.4897 55.4685 30.2823 173.7142 *35 A 4.2095 7.0492 123.1089 51.9992 19.2884 176.1788 36 N 4.2239 8.8592 111.6989 56.3713 36.6714 176.6245 37 A 4.0578 7.9881 122.7199 54.7481 18.3619 178.8259 38 E 3.9087 8.5082 118.0033 60.1485 29.4732 179.2419 39 D 4.4502 7.5153 118.8148 57.6825 40.8873 179.7021 40 I 3.7817 7.5725 113.3709 63.9472 37.5717 178.1879 41 L 4.1102 7.8846 120.4850 57.5040 41.4520 179.4432 42 G 3.6451 8.4651 106.1114 47.8787 0.0000 175.5397 43 E 4.0720 7.8410 119.8043 58.8662 29.6954 178.7724 44 I 3.9452 8.2311 118.7064 63.1474 38.0605 176.8183 45 T 4.5864 7.9740 108.7091 64.5030 70.0583 174.9928 46 G 3.8954 7.2984 107.8749 44.4153 0.0000 173.3687 47 Q 4.5720 7.7230 115.8664 54.1557 31.6820 174.3034 48 M 3.8281 8.5275 118.4340 55.7269 32.4687 174.7323 49 P 4.8486 0.0000 0.0000 61.6926 33.5662 175.1069 50 V 4.4540 8.3186 120.4107 60.8161 34.2711 175.3214 51 R 4.3454 8.7758 125.9458 57.3607 31.2903 176.7552 52 T 4.5048 8.5993 117.5259 61.3952 70.2300 173.9666 53 K 5.3200 8.7843 124.5704 55.7520 33.2230 175.7746 54 A 4.8858 8.7611 122.8673 50.2194 22.0003 175.7326 55 K 4.5529 8.4885 117.8684 55.6841 34.8869 175.3593 56 R 4.2220 8.6760 122.7083 56.5317 29.5945 175.9204 57 T 4.5733 8.2154 117.2004 62.4980 70.0925 174.5232 58 V 4.5429 8.9332 124.8330 60.8016 35.0504 175.7183 59 G 3.8206 8.8887 112.7210 48.7261 0.0000 174.9678 60 E 4.2535 8.1086 118.6441 58.4054 28.2101 176.1241 61 F 4.1430 7.7282 112.8337 60.3271 38.8242 174.9786 62 D 4.9253 7.9087 118.5583 51.7486 40.2508 175.4571 63 I 4.3212 7.6858 114.6789 60.8951 39.6010 177.3941 64 R 3.8678 7.9005 121.6686 56.3004 29.5168 174.7132 65 E 4.0389 8.1867 128.8890 58.5729 29.3284 176.2812 66 G 3.8912 7.9578 111.0796 46.5108 0.0000 171.8929 67 D 4.5403 8.2984 121.6626 51.5599 42.4273 173.5222 68 P 4.5280 0.0000 0.0000 62.6350 31.6422 176.4771 69 I 4.6695 9.0964 125.2092 59.0719 40.0300 175.1252 70 G 4.4812 7.4515 108.8138 43.6963 0.0000 171.8573 71 A 5.7501 7.9798 121.1627 49.5689 23.4348 174.7794 72 K 5.0166 8.2509 116.6119 56.1470 36.8432 175.4070 73 V 4.5974 8.4630 120.2698 61.8288 35.0070 173.1237 74 T 4.7752 8.5366 118.7742 60.3192 70.0468 173.7974 75 L 4.7786 8.4938 126.7991 52.8779 44.2989 175.9439 76 R 4.7577 7.9739 120.3934 54.6700 34.0942 176.3035 77 D 4.4292 8.9340 120.4940 55.6771 38.9778 176.5054 78 E 3.9661 8.9412 123.9610 60.9731 28.4246 178.3421 79 M 4.1484 8.2649 117.8372 58.3913 31.8308 178.4532 80 A 4.2636 7.9241 120.6404 54.7637 18.9438 179.3372 81 E 3.9486 8.0173 116.6086 59.6298 29.6030 179.0757 82 E 3.9987 8.4444 118.2015 58.8403 29.8839 178.9070 83 F 4.4255 7.5178 117.4101 60.6644 39.9959 177.6599 84 L 4.2496 8.3200 118.3342 57.4829 41.0616 179.0479 85 Q 4.0874 8.0452 115.3618 56.6536 28.2768 176.2909 86 T 4.5510 7.6585 108.7309 61.5255 74.0289 175.7617 87 A 3.9926 7.7994 124.6040 54.7964 18.3438 179.0761 88 L 3.5333 7.9694 116.4334 57.8281 41.5897 178.0037 89 P 4.1923 0.0000 0.0000 65.4558 31.2193 177.5210 90 L 4.4493 7.8161 115.3518 53.7706 41.9060 176.0717 91 A 4.8592 7.8353 121.7563 50.4844 22.0938 175.2236 92 E 4.4299 8.2771 116.2531 58.6253 31.7722 176.5544 93 L 3.7088 6.7613 116.3156 52.3492 43.6209 175.7058 94 A 4.4848 8.5972 122.5942 52.5542 21.1990 174.5434 95 T 3.1961 8.7800 111.5401 62.7137 69.5041 173.8003 96 S 3.8787 8.7061 120.4361 60.4246 63.2006 173.2533 97 Q 4.5797 10.4953 119.5946 55.7908 28.5085 174.5775 98 F 5.0091 7.7107 114.2384 54.9877 41.2970 175.0515 99 D 4.6699 9.9789 123.3643 54.4308 41.6142 175.9947 100 D 4.6887 8.5472 120.1346 55.4419 41.2502 177.5244 101 T 4.5904 7.2355 113.1659 62.2455 68.8855 174.4718 102 G 3.9352 8.3176 108.7142 46.6698 0.0000 172.8492 103 N 5.4851 7.7853 115.6435 51.2392 42.9599 173.4257 104 F 4.7610 7.6810 109.8898 56.2468 41.2021 173.0370 105 S 5.0564 8.2211 116.0543 56.4887 65.0537 172.8172 106 F 4.9196 8.6986 120.5447 55.3555 41.6006 172.7608 107 G 4.2294 8.9354 102.1272 44.4719 0.0000 173.5453 *128 L 4.0028 8.4976 123.6188 55.1593 43.5509 176.2492 129 D 5.0130 8.5523 126.2144 53.0006 43.7258 176.2087 130 V 4.2131 8.0003 120.9797 61.8226 34.5836 173.9642 131 T 4.7215 8.5235 125.2045 61.6215 71.2704 174.0263 132 V 4.3865 7.7892 124.5990 61.0715 34.2630 173.6560 133 N 4.8274 8.6288 127.4969 52.4106 40.1371 173.5912 134 L 5.2711 8.1736 125.9146 53.2389 44.6669 175.7882 135 V 4.2645 7.8730 120.7497 61.3136 35.1990 171.6135 136 R 4.3930 8.2750 116.7673 54.8547 31.4455 177.2831 137 P 4.0044 0.0000 0.0000 65.2992 31.8698 177.1528 138 G 4.1466 7.8811 106.8403 46.0678 0.0000 175.4952 139 Y 4.1905 8.2082 123.1678 60.1727 38.8809 176.1189 140 R 4.0523 8.2903 119.3695 59.6075 29.8285 178.1398 141 V 3.5146 7.5267 116.1887 65.0355 31.1672 176.6691 142 A 4.8466 7.7699 119.1759 50.8918 19.5012 176.8875 143 K 4.3012 7.7259 115.8503 55.8275 34.0694 176.6746 144 R 4.3035 7.5838 115.1629 55.2980 30.7760 176.4820 145 D 4.4389 8.4489 117.3547 57.1053 40.9174 177.6143 146 K 4.0339 7.9262 118.4632 57.4970 32.6852 176.9740 147 A 3.6385 8.7464 124.4323 52.4441 16.2988 176.9730 148 S 4.5134 7.1609 112.0521 60.9377 63.9165 173.3440 149 R 4.5573 8.7479 119.0689 55.3490 33.8036 173.6146 150 S 4.5783 8.5376 118.9642 57.5548 63.3672 173.9295 151 I 3.8662 8.2941 127.8811 60.5540 37.8390 174.3750 152 P 4.4332 0.0000 0.0000 62.5684 32.1645 177.2887 153 T 3.9262 8.7495 112.6172 65.2733 68.1145 176.6779 154 K 4.0043 7.9895 119.6844 59.2838 32.2829 177.7853 155 H 4.5738 7.8123 114.7979 55.9194 30.1105 175.2460 156 R 4.2460 7.2957 118.9217 56.4486 30.5094 175.1906 157 L 4.5292 8.1615 120.7479 53.8628 43.4143 175.6565 158 N 4.7428 8.1615 123.0883 51.5368 41.2196 174.5792 159 P 4.3321 0.0000 0.0000 65.9379 31.4518 178.6832 160 A 3.8622 7.9248 118.7224 55.4047 18.2866 179.1401 161 D 4.4302 8.2191 116.0259 56.6858 40.8468 178.8899 162 A 4.1620 7.5647 121.7674 54.7438 19.1478 179.2486 163 V 3.1637 7.4911 116.5177 66.4085 31.3762 177.5384 164 A 3.8928 7.9306 119.9353 55.2966 17.9292 178.8761 165 F 4.1031 7.7244 117.4865 61.8237 39.6843 177.6221 166 I 3.5179 7.9370 118.6630 64.4068 36.8246 177.8615 167 E 4.4082 8.2600 120.3193 58.5820 29.3644 177.9384 168 S 4.5308 8.1670 111.9475 57.8732 64.6488 175.1127 169 T 4.7478 7.9421 113.2351 62.6814 70.7001 173.1914 170 Y 3.3830 7.8757 118.0074 57.7485 35.1745 168.8481 171 D 4.4161 6.8168 117.1598 54.0711 43.7950 175.5232 172 V 4.7329 7.9462 117.0150 61.2076 35.6953 178.5004 173 E 4.3643 9.0436 122.2387 56.6073 28.7145 177.3322 174 V 3.9722 7.6912 116.5291 63.8340 31.8044 175.1404 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 10 F 8.17 4.81 0.00 3.36 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 11 H 5.29 3.99 0.00 3.09 2.34 0.00 5.61 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 E 9.46 4.36 0.00 1.63 1.87 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 2.07 2.16 0.00 13 M 7.16 4.58 0.00 1.94 2.02 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.55 0.00 14 R 7.72 4.58 0.00 1.78 1.97 0.00 3.43 0.00 0.00 3.39 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.66 0.00 15 E 7.95 4.09 0.00 2.16 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 2.32 2.29 0.00 16 P 0.00 4.33 0.00 0.98 1.62 0.00 3.65 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 1.99 0.00 17 R 7.53 4.15 0.00 1.76 1.82 0.00 2.73 0.00 0.00 3.12 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.46 0.00 18 I 8.45 4.28 1.99 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.92 0.97 0.00 0.00 19 E 8.87 4.49 0.00 1.81 1.68 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 2.17 2.20 0.00 20 K 8.73 4.49 0.00 2.07 1.94 0.00 1.62 0.00 0.00 1.69 0.00 0.00 3.03 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.34 1.30 7.81 21 V 7.87 4.57 1.94 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 0.98 0.00 0.00 0.96 0.00 0.00 22 V 8.39 4.55 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 0.88 0.00 0.00 0.84 0.00 0.00 23 V 8.24 5.09 1.94 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 -0.12 0.00 0.00 0.70 0.00 0.00 24 H 8.54 5.12 0.00 3.17 2.98 0.00 5.62 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 M 8.43 4.29 0.00 1.92 1.88 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.39 0.00 26 G 7.90 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 0.00 0.00 0.00 27 I 7.66 4.14 1.77 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 1.10 0.75 0.74 0.00 0.00 28 G 7.72 4.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 H 7.86 4.49 0.00 3.15 3.34 0.00 5.76 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *35 A 7.05 4.21 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 36 N 8.86 4.22 0.00 2.92 3.13 0.00 0.00 5.87 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 37 A 7.99 4.06 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 38 E 8.51 3.91 0.00 1.98 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 2.32 2.50 0.00 39 D 7.52 4.45 0.00 2.65 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 40 I 7.57 3.78 1.88 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 1.70 1.17 0.91 0.00 0.00 41 L 7.88 4.11 0.00 1.91 1.73 0.87 0.88 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 42 G 8.47 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 E 7.84 4.07 0.00 1.93 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 2.35 2.51 0.00 44 I 8.23 3.95 2.01 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 0.85 1.08 0.00 0.00 45 T 7.97 4.59 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 0.97 0.00 0.00 46 G 7.30 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 47 Q 7.72 4.57 0.00 2.14 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.83 6.63 0.00 0.00 0.00 0.00 0.00 2.21 2.29 0.00 48 M 8.53 3.83 0.00 2.01 2.07 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.60 0.00 49 P 0.00 4.85 0.00 1.91 1.95 0.00 3.60 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.05 0.00 50 V 8.32 4.45 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 1.04 0.00 0.00 0.91 0.00 0.00 51 R 8.78 4.35 0.00 1.72 1.85 0.00 3.35 0.00 0.00 3.21 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.61 0.00 52 T 8.60 4.50 4.37 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 1.21 0.00 0.00 53 K 8.78 5.32 0.00 1.63 1.73 0.00 1.72 0.00 0.00 2.36 0.00 0.00 2.82 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.43 1.28 7.81 54 A 8.76 4.89 1.24 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 55 K 8.49 4.55 0.00 1.62 1.71 0.00 1.82 0.00 0.00 1.70 0.00 0.00 2.86 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.33 1.42 7.81 56 R 8.68 4.22 0.00 1.99 2.02 0.00 3.20 0.00 0.00 3.23 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.64 0.00 57 T 8.22 4.57 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 1.24 0.00 0.00 58 V 8.93 4.54 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 0.99 0.00 0.00 0.94 0.00 0.00 59 G 8.89 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 E 8.11 4.25 0.00 2.14 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 2.31 2.34 0.00 61 F 7.73 4.14 0.00 3.03 3.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 D 7.91 4.93 0.00 2.97 2.54 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.69 4.32 1.93 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.86 1.06 0.00 0.00 64 R 7.90 3.87 0.00 1.77 2.03 0.00 3.20 0.00 0.00 3.11 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.61 0.00 65 E 8.19 4.04 0.00 2.02 1.82 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 2.29 2.32 0.00 66 G 7.96 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 0.00 0.00 0.00 67 D 8.30 4.54 0.00 2.64 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 68 P 0.00 4.53 0.00 1.94 2.03 0.00 3.61 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 2.01 2.11 0.00 69 I 9.10 4.67 1.96 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 1.14 1.11 0.93 0.00 0.00 70 G 7.45 4.48 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 71 A 7.98 5.75 1.14 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 0.00 0.00 72 K 8.25 5.02 0.00 1.75 1.88 0.00 1.44 0.00 0.00 1.69 0.00 0.00 2.76 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.36 1.39 7.81 73 V 8.46 4.60 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 0.83 0.00 0.00 0.86 0.00 0.00 74 T 8.54 4.78 4.19 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 1.15 0.00 0.00 75 L 8.49 4.78 0.00 1.47 1.51 0.51 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 76 R 7.97 4.76 0.00 1.62 1.77 0.00 3.31 0.00 0.00 3.22 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.60 0.00 77 D 8.93 4.43 0.00 2.89 2.30 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 78 E 8.94 3.97 0.00 2.02 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 2.42 2.42 0.00 79 M 8.26 4.15 0.00 2.02 2.29 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.70 2.58 0.00 80 A 7.92 4.26 1.41 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 0.00 0.00 0.00 0.00 0.00 0.00 81 E 8.02 3.95 0.00 2.15 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 2.45 2.63 0.00 82 E 8.44 4.00 0.00 2.01 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.52 0.00 83 F 7.52 4.43 0.00 3.28 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 84 L 8.32 4.25 0.00 2.01 1.81 1.10 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 85 Q 8.05 4.09 0.00 1.92 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.73 0.00 0.00 0.00 0.00 0.00 2.19 2.46 0.00 86 T 7.66 4.55 4.10 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 1.14 0.00 0.00 87 A 7.80 3.99 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 88 L 7.97 3.53 0.00 1.71 1.68 0.96 1.13 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 89 P 0.00 4.19 0.00 2.10 2.12 0.00 3.66 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.18 0.00 90 L 7.82 4.45 0.00 1.79 1.73 0.92 0.75 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 91 A 7.84 4.86 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 E 8.28 4.43 0.00 1.93 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 2.19 2.29 0.00 93 L 6.76 3.71 0.00 1.72 1.86 1.02 0.77 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 94 A 8.60 4.48 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 T 8.78 3.20 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 1.13 0.00 0.00 96 S 8.71 3.88 0.00 4.24 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 97 Q 10.50 4.58 0.00 2.21 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.14 6.77 0.00 0.00 0.00 0.00 0.00 2.40 2.39 0.00 98 F 7.71 5.01 0.00 3.02 3.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 D 9.98 4.67 0.00 2.83 2.86 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 0.00 100 D 8.55 4.69 0.00 2.73 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 0.00 101 T 7.24 4.59 4.28 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 1.24 0.00 0.00 102 G 8.32 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 0.00 0.00 0.00 103 N 7.79 5.49 0.00 2.86 2.78 0.00 0.00 6.58 8.13 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 0.00 104 F 7.68 4.76 0.00 2.49 1.61 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.22 5.06 0.00 3.74 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 0.00 106 F 8.70 4.92 0.00 3.16 3.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 G 8.94 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 0.00 0.00 0.00 0.00 *128 L 8.50 4.00 0.00 1.75 1.60 0.94 1.17 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 0.00 129 D 8.55 5.01 0.00 2.73 2.44 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 0.00 130 V 8.00 4.21 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 0.88 0.00 0.00 0.94 0.00 0.00 131 T 8.52 4.72 4.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 132 V 7.79 4.39 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 1.08 0.00 0.00 0.76 0.00 0.00 133 N 8.63 4.83 0.00 2.81 2.90 0.00 0.00 6.58 5.98 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 0.00 134 L 8.17 5.27 0.00 1.77 1.52 1.32 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 135 V 7.87 4.26 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 0.25 0.00 0.00 0.76 0.00 0.00 136 R 8.28 4.39 0.00 1.82 1.97 0.00 2.97 0.00 0.00 3.00 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.44 0.00 137 P 0.00 4.00 0.00 2.27 2.12 0.00 3.63 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 1.90 2.11 0.00 138 G 7.88 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 0.00 139 Y 8.21 4.19 0.00 3.19 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 0.00 140 R 8.29 4.05 0.00 1.93 1.95 0.00 3.25 0.00 0.00 3.26 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.70 0.00 141 V 7.53 3.51 2.16 0.00 0.00 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 0.95 0.00 0.00 142 A 7.77 4.85 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.73 4.30 0.00 1.62 1.77 0.00 1.71 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 3.28 0.00 0.00 0.00 0.00 0.84 1.48 7.81 144 R 7.58 4.30 0.00 1.89 1.92 0.00 3.10 0.00 0.00 3.20 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.60 0.00 145 D 8.45 4.44 0.00 2.67 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 0.00 146 K 7.93 4.03 0.00 1.80 1.71 0.00 1.80 0.00 0.00 1.81 0.00 0.00 2.87 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.51 1.42 7.81 147 A 8.75 3.64 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 0.00 148 S 7.16 4.51 0.00 3.87 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 0.00 149 R 8.75 4.56 0.00 1.81 1.71 0.00 3.07 0.00 0.00 3.08 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.53 0.00 150 S 8.54 4.58 0.00 3.91 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 0.00 151 I 8.29 3.87 1.97 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 1.38 1.11 1.05 0.00 0.00 152 P 0.00 4.43 0.00 2.21 1.99 0.00 3.66 0.00 0.00 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.08 0.00 153 T 8.75 3.93 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 1.23 0.00 0.00 154 K 7.99 4.00 0.00 1.77 1.95 0.00 1.66 0.00 0.00 1.66 0.00 0.00 3.10 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.47 1.58 7.81 155 H 7.81 4.57 0.00 3.18 3.47 0.00 5.94 0.00 0.00 0.00 0.00 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 156 R 7.30 4.25 0.00 2.09 1.89 0.00 3.42 0.00 0.00 3.24 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.75 0.00 157 L 8.16 4.53 0.00 1.67 1.72 0.89 0.53 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 0.00 158 N 8.16 4.74 0.00 3.08 2.72 0.00 0.00 6.63 7.91 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 0.00 159 P 0.00 4.33 0.00 2.16 2.18 0.00 3.62 0.00 0.00 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.46 0.00 160 A 7.92 3.86 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 0.00 161 D 8.22 4.43 0.00 2.71 2.77 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 0.00 162 A 7.56 4.16 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 0.00 0.00 0.00 0.00 0.00 163 V 7.49 3.16 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 0.59 0.00 0.00 0.23 0.00 0.00 164 A 7.93 3.89 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 0.00 165 F 7.72 4.10 0.00 3.11 3.38 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 0.00 166 I 7.94 3.52 1.85 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.02 0.88 0.00 0.00 167 E 8.26 4.41 0.00 1.89 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 2.27 2.19 0.00 168 S 8.17 4.53 0.00 3.84 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 0.00 169 T 7.94 4.75 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 1.15 0.00 0.00 170 Y 7.88 3.38 0.00 3.00 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 0.00 171 D 6.82 4.42 0.00 2.89 2.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 172 V 7.95 4.73 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.00 0.00 0.89 0.00 0.00 173 E 9.04 4.36 0.00 1.98 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 2.20 0.00 174 V 7.69 3.97 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 0.89 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.