NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 L 4.3032 8.1693 120.6290 54.8549 43.3378 175.2266 2 I 4.3343 8.3840 113.1664 58.5368 39.5243 171.8671 3 V 3.7548 8.1995 115.2115 64.8890 32.3689 179.3894 4 T 4.1978 7.8740 106.7359 62.7984 68.7779 174.6444 5 Q 4.4278 8.3614 121.0822 56.1159 29.4543 175.2165 6 T 4.5686 7.1585 108.7614 59.9851 71.1902 174.1124 7 M 4.2695 8.7633 122.8295 55.4599 32.8067 175.2866 8 K 4.2525 8.7183 126.9268 55.7159 33.8624 176.0925 9 G 3.9478 8.8361 113.8492 46.3248 0.0000 173.4162 10 L 4.1086 8.0995 120.9382 54.7667 42.8110 175.9925 11 D 4.7829 9.2161 126.1175 52.3311 41.3058 176.3536 12 I 3.8613 8.2899 127.5735 64.0172 37.5882 177.3566 13 Q 4.0777 8.1799 118.7569 58.4499 28.2739 178.0627 14 K 4.2254 7.8084 117.4549 57.4780 32.3441 177.8953 15 V 4.4120 7.6273 111.1324 61.3576 32.0435 176.3574 16 A 4.2509 7.3281 122.5578 53.6505 19.0415 176.3781 17 G 3.7372 8.6812 105.6990 44.2202 0.0000 172.7892 18 T 4.6297 7.9931 115.7307 63.0763 69.3158 174.5649 19 W 5.3914 8.4406 123.5229 55.4351 33.9383 173.9236 20 Y 4.7752 9.3371 119.3466 56.3368 41.0451 175.3281 21 S 4.7514 8.9520 120.0248 58.3034 62.9245 173.4871 22 L 4.6457 9.2376 128.4632 56.6581 43.5804 176.0094 23 A 5.1711 7.6442 118.1636 51.0057 22.8821 174.9800 24 M 5.4708 9.5313 118.0662 54.2082 37.1973 174.1371 25 A 5.2334 9.1242 121.2140 51.2102 23.5168 174.9774 26 A 5.1218 8.7097 119.8361 50.7016 22.7039 177.6006 27 S 4.7135 8.7075 113.9876 59.3040 64.3104 174.0903 28 D 4.7865 7.8091 120.3044 52.2710 44.3277 175.3824 29 I 3.7481 8.7752 127.6370 64.6089 37.1101 178.3964 30 S 4.2251 8.1233 114.0952 61.0300 62.9767 176.3349 31 L 4.0229 7.7973 120.3734 56.9553 41.3814 177.8010 32 L 4.6734 7.6618 115.3279 54.2021 41.7472 176.9140 33 D 4.1263 7.0829 117.1915 55.9485 41.6836 175.8039 34 A 4.8066 7.5081 120.0960 50.0798 21.9182 177.4979 35 Q 4.0588 9.1611 120.1744 60.1204 29.0605 179.8763 36 S 4.1953 8.2622 111.7383 61.5453 63.0112 174.8747 37 A 3.9977 8.2758 123.2322 51.5854 18.6382 176.8541 38 P 4.3671 0.0000 0.0000 65.2657 31.6644 177.3146 39 L 4.3846 7.7215 115.9917 54.8255 42.2659 177.4095 40 R 4.1943 7.2482 119.6467 54.8904 28.2860 175.0252 41 V 4.3861 7.2209 112.6838 59.0436 35.9708 174.4653 42 Y 4.6864 8.4416 121.8840 56.2088 39.7815 175.3551 43 V 4.1221 8.6782 125.7411 63.1397 32.0234 175.0655 44 E 4.4477 9.3287 128.6463 57.5629 31.9704 175.0302 45 E 5.2196 7.8161 117.2304 55.0869 33.4366 173.7674 46 L 5.1220 9.1634 125.9258 52.7959 44.8311 175.6320 47 K 4.7171 9.5101 123.4807 54.1646 34.4556 173.9841 48 P 4.8975 0.0000 0.0000 63.0131 32.3324 176.0242 49 T 4.5355 8.6231 112.7780 59.3878 71.1032 173.7137 50 P 4.3034 0.0000 0.0000 65.8629 31.3650 177.4642 51 E 4.0940 8.0856 112.9543 56.9672 29.8118 177.4011 52 G 3.9499 8.7867 108.7346 45.5078 0.0000 173.1526 53 D 4.9773 7.9736 120.2094 53.1640 43.4300 174.9346 54 L 4.7164 9.1107 121.5286 53.3117 44.8901 174.4611 55 E 4.8404 9.0139 128.1518 54.8436 31.5997 174.3774 56 I 4.7198 8.8477 128.1009 59.5253 40.0947 174.3400 57 L 5.0167 8.7760 127.7782 53.2121 43.4420 175.7746 58 L 5.4649 8.9436 123.5391 52.8375 46.0833 175.3727 59 Q 5.2662 9.2660 119.4460 54.5630 31.7143 174.4593 60 K 4.9104 9.1086 122.4276 54.4488 36.1093 174.8385 61 W 4.8795 9.1361 135.0000 57.4217 31.4543 175.0499 62 E 4.2979 8.7093 128.5344 55.6739 32.0778 174.6341 63 N 4.0581 8.9594 124.9615 55.7200 35.7175 173.5007 64 D 3.7301 7.5709 109.0421 54.9869 39.2551 173.7209 65 E 4.2151 6.3518 115.5961 54.5687 33.4414 174.7083 66 C 4.7980 8.2512 120.5447 58.2295 31.5210 172.2687 67 A 4.5885 8.7766 128.3304 50.8239 20.5151 175.6511 68 Q 5.0466 8.5296 119.4383 54.4175 30.9131 175.3893 69 K 4.6699 9.1451 122.0767 54.3858 36.3505 175.0842 70 K 5.0104 8.7815 125.1648 54.6265 34.3479 174.9380 71 I 4.6599 8.7224 121.1103 59.0993 40.9226 174.3206 72 I 4.8389 8.3682 124.4233 59.6616 39.1803 174.6249 73 A 4.8058 9.1881 130.1444 50.3597 20.7981 175.6287 74 E 4.9502 9.2043 123.5827 55.5270 31.0951 176.9535 75 K 4.2029 9.5126 123.8106 57.4991 33.6055 176.0221 76 T 4.7888 7.6072 110.8938 59.9812 71.5347 173.4284 77 K 4.0916 8.7695 118.8267 57.7846 32.6979 176.8613 78 I 4.2907 7.5052 121.8890 58.4375 38.1836 173.6746 79 P 4.2228 0.0000 0.0000 63.8103 31.9333 176.7458 80 A 3.8920 8.6842 121.3831 52.1233 16.8663 177.1814 81 V 4.8667 7.1007 115.2109 60.9533 33.4150 174.8486 82 F 5.0434 9.6089 126.8039 55.4710 42.6564 174.1662 83 K 4.8695 9.0764 123.3536 54.8223 34.9354 175.0574 84 I 4.3700 9.2432 129.4974 59.5092 37.7543 176.2572 85 D 5.4637 8.4098 131.9206 52.5439 40.4056 174.8090 86 A 4.5393 7.3221 122.8560 50.8173 21.4049 177.3766 87 L 4.0077 8.5717 117.1522 57.7718 41.6162 177.6711 88 N 4.6990 7.8474 116.9859 51.4077 38.9674 174.2334 89 E 4.4350 8.5252 125.4861 56.2633 31.0786 175.2199 90 N 5.4691 8.9964 122.5542 51.5578 43.4740 173.3618 91 K 5.1022 8.6911 120.5119 54.6912 35.7417 175.1932 92 V 4.8869 9.0701 123.7286 61.1906 34.1095 174.1746 93 L 5.2444 9.1988 128.0591 52.9926 44.8069 175.6066 94 V 4.3716 9.0640 125.1495 61.9837 32.0592 176.4719 95 L 4.1121 8.8017 129.2987 57.5814 42.0445 177.0601 96 D 4.5823 7.8768 115.0204 54.3122 44.4297 174.1380 97 T 4.1580 8.0285 115.7215 61.2464 70.0444 172.7096 98 D 4.5058 7.1909 124.8270 52.4450 39.7674 178.4638 99 Y 3.9799 7.4567 121.2202 59.2866 37.6345 170.8105 100 K 4.4486 8.4433 116.0133 56.6755 34.1520 176.0246 101 K 4.6633 8.4407 119.2226 57.7213 34.5540 174.9229 102 Y 5.8321 8.7888 116.5081 55.5277 42.4079 173.6265 103 L 4.4847 8.9664 120.9506 53.9301 46.0020 173.8125 104 L 5.3250 9.1557 127.2902 53.0881 44.0084 175.5856 105 F 5.4599 8.8300 117.6906 55.7680 41.8511 172.6159 106 C 5.4396 9.3159 116.5531 55.4835 43.9720 172.7875 107 M 5.3730 9.3885 121.0977 53.6325 34.7911 174.3966 108 E 5.0155 9.0497 124.3783 54.4702 32.8194 174.8552 109 N 4.6324 9.0865 125.1188 52.1140 38.4314 174.7226 110 S 4.1945 8.1858 119.3806 59.1765 62.7636 172.9870 111 A 4.3368 8.3600 128.3906 52.8459 24.8444 173.8214 112 E 4.1894 8.4990 111.8344 55.3193 29.4183 175.9791 *115 Q 4.1692 7.8771 124.7438 54.3297 31.2331 175.0112 116 S 4.6793 7.6419 116.7746 56.5565 65.1852 172.1541 117 L 5.2992 8.6923 128.9399 53.2552 45.8428 175.1165 118 V 4.8965 8.9753 125.2751 61.3850 34.5261 173.5506 119 C 5.3885 9.5153 124.9175 55.2986 44.0004 172.9854 120 Q 4.9178 8.7487 119.2365 54.2361 33.3224 173.8125 121 C 4.6285 8.0387 121.4943 57.7086 33.5033 172.5622 122 L 5.3775 9.1903 126.9461 53.4335 43.9861 176.1906 123 V 5.3602 8.9611 114.3571 59.9017 35.6590 177.0171 124 R 3.7404 9.0576 123.1262 59.0092 30.2535 177.3138 125 T 4.7608 7.6630 105.8500 59.1540 72.2505 171.9321 126 P 4.4749 0.0000 0.0000 62.3805 30.5670 176.0040 127 E 4.1374 7.7539 116.9551 57.6908 30.3732 177.7169 128 V 4.0849 8.1219 112.3698 61.5521 31.6859 175.9768 129 D 4.7252 7.8307 119.8247 53.6277 42.1558 175.5178 130 D 4.9868 8.2718 123.2279 53.0337 40.2135 178.0333 131 E 3.8377 8.2274 122.0515 60.2170 29.4944 178.1281 132 A 3.5825 7.8422 120.3129 55.0169 18.5252 179.4430 133 L 4.0063 7.8247 117.0520 57.9320 41.6706 179.4911 134 E 3.9937 8.2584 118.6250 59.3340 29.4484 179.4978 135 K 3.9482 8.2872 118.9773 59.1883 31.9952 179.2136 136 F 4.2761 8.4503 121.1973 61.2885 39.1184 176.4645 137 D 4.1730 8.0030 116.3902 57.2881 41.4031 178.0573 138 K 4.0155 8.3781 119.9879 59.5750 32.0815 178.7452 139 A 4.0523 8.2598 119.8055 54.4817 18.5907 178.5549 140 L 4.2059 7.7471 116.1203 54.8631 41.7248 178.6950 141 K 3.8884 7.6580 119.4244 59.8549 32.5099 177.7997 142 A 4.1619 7.8511 120.1481 52.9207 18.9474 176.7477 143 L 4.7475 7.2795 115.6438 52.2111 44.1796 175.5216 144 P 4.4888 0.0000 0.0000 61.8604 30.0565 173.9879 145 M 4.4675 7.7151 124.5603 55.8100 33.2827 175.9398 146 H 4.9911 8.9733 118.7543 55.6584 30.7299 174.1162 147 I 4.6224 7.4316 119.0177 59.4829 41.5312 173.2305 148 R 5.1465 8.6008 128.5335 54.5660 33.0535 173.9607 149 L 4.7804 9.4860 125.8351 52.9505 45.4113 175.6138 150 S 4.8845 8.1656 117.8331 56.7677 65.9362 173.4634 151 F 4.5314 8.9733 124.1720 56.2518 40.4432 176.0359 152 N 4.6056 8.8149 121.5488 51.3420 37.7660 172.6739 153 P 4.3809 0.0000 0.0000 62.7875 32.4423 176.8105 154 T 4.1205 8.1019 115.0574 63.8086 68.7195 174.5650 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 L 8.17 4.30 0.00 1.66 2.01 0.93 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 2 I 8.38 4.33 1.87 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 1.35 1.33 0.91 0.00 0.00 3 V 8.20 3.75 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 0.79 0.00 0.00 0.93 0.00 0.00 4 T 7.87 4.20 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 5 Q 8.36 4.43 0.00 2.01 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.78 0.00 0.00 0.00 0.00 0.00 2.30 2.27 0.00 6 T 7.16 4.57 4.38 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 1.23 0.00 0.00 7 M 8.76 4.27 0.00 2.06 2.15 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.50 0.00 8 K 8.72 4.25 0.00 1.82 1.70 0.00 1.98 0.00 0.00 1.73 0.00 0.00 2.94 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.39 1.39 7.81 9 G 8.84 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 L 8.10 4.11 0.00 1.69 1.68 1.10 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 11 D 9.22 4.78 0.00 2.61 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 0.00 0.00 0.00 12 I 8.29 3.86 2.07 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 1.67 1.53 1.00 0.00 0.00 13 Q 8.18 4.08 0.00 2.12 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.63 0.00 0.00 0.00 0.00 0.00 2.38 2.54 0.00 14 K 7.81 4.23 0.00 1.11 1.38 0.00 1.03 0.00 0.00 0.82 0.00 0.00 2.82 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.23 1.20 7.81 15 V 7.63 4.41 2.27 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 0.88 0.00 0.00 1.00 0.00 0.00 16 A 7.33 4.25 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 17 G 8.68 3.74 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 0.00 0.00 0.00 18 T 7.99 4.63 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 0.96 0.00 0.00 19 W 8.44 5.39 0.00 3.07 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 20 Y 9.34 4.78 0.00 3.01 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 21 S 8.95 4.75 0.00 3.91 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 22 L 9.24 4.65 0.00 1.85 1.80 1.04 1.10 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 23 A 7.64 5.17 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 M 9.53 5.47 0.00 1.96 2.06 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 2.66 2.52 0.00 25 A 9.12 5.23 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 26 A 8.71 5.12 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 27 S 8.71 4.71 0.00 3.88 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 28 D 7.81 4.79 0.00 2.72 2.50 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 29 I 8.78 3.75 1.87 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 0.84 0.91 0.00 0.00 30 S 8.12 4.23 0.00 4.01 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 31 L 7.80 4.02 0.00 1.87 1.78 0.93 0.70 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 32 L 7.66 4.67 0.00 1.64 1.66 0.95 1.02 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 33 D 7.08 4.13 0.00 2.80 2.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 A 7.51 4.81 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 35 Q 9.16 4.06 0.00 2.15 2.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.73 0.00 0.00 0.00 0.00 0.00 2.39 2.42 0.00 36 S 8.26 4.20 0.00 3.92 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 37 A 8.28 4.00 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 38 P 0.00 4.37 0.00 2.20 2.21 0.00 3.77 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.00 0.00 39 L 7.72 4.38 0.00 1.66 1.75 0.99 0.90 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 40 R 7.25 4.19 0.00 1.78 1.99 0.00 3.30 0.00 0.00 3.40 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.44 0.00 41 V 7.22 4.39 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 0.79 0.00 0.00 0.99 0.00 0.00 42 Y 8.44 4.69 0.00 2.90 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 43 V 8.68 4.12 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 0.72 0.00 0.00 1.06 0.00 0.00 44 E 9.33 4.45 0.00 2.03 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 2.19 2.16 0.00 45 E 7.82 5.22 0.00 2.04 1.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.29 0.00 46 L 9.16 5.12 0.00 1.91 1.50 0.56 0.68 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 47 K 9.51 4.72 0.00 1.68 1.90 0.00 1.37 0.00 0.00 1.64 0.00 0.00 2.89 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.45 1.50 7.81 48 P 0.00 4.90 0.00 1.95 2.01 0.00 3.65 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.15 0.00 49 T 8.62 4.54 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 50 P 0.00 4.30 0.00 2.06 2.18 0.00 3.67 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 2.03 2.09 0.00 51 E 8.09 4.09 0.00 2.10 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 2.29 2.26 0.00 52 G 8.79 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 D 7.97 4.98 0.00 2.66 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 54 L 9.11 4.72 0.00 0.97 1.05 0.70 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 55 E 9.01 4.84 0.00 2.02 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 0.00 2.20 2.24 0.00 56 I 8.85 4.72 1.78 0.00 0.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.36 0.79 0.00 0.00 57 L 8.78 5.02 0.00 1.58 1.57 0.91 0.54 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 58 L 8.94 5.46 0.00 1.56 1.53 0.92 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 59 Q 9.27 5.27 0.00 2.22 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.76 0.00 0.00 0.00 0.00 0.00 2.33 2.48 0.00 60 K 9.11 4.91 0.00 1.79 1.67 0.00 1.76 0.00 0.00 1.79 0.00 0.00 2.87 0.00 0.00 3.44 0.00 0.00 0.00 0.00 1.35 1.55 7.81 61 W 9.14 4.88 0.00 3.53 3.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 E 8.71 4.30 0.00 1.89 1.64 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 2.13 2.38 0.00 63 N 8.96 4.06 0.00 2.75 2.75 0.00 0.00 7.33 8.06 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 64 D 7.57 3.73 0.00 2.69 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 65 E 6.35 4.22 0.00 1.76 1.58 0.00 0.00 0.00 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 2.19 0.00 66 C 8.25 4.80 0.00 3.06 2.89 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 67 A 8.78 4.59 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 68 Q 8.53 5.05 0.00 1.94 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.67 6.64 0.00 0.00 0.00 0.00 0.00 2.29 2.31 0.00 69 K 9.15 4.67 0.00 1.64 1.64 0.00 1.61 0.00 0.00 1.58 0.00 0.00 2.77 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.34 1.36 7.81 70 K 8.78 5.01 0.00 1.71 1.66 0.00 1.94 0.00 0.00 1.74 0.00 0.00 2.85 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.28 1.37 7.81 71 I 8.72 4.66 1.86 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 1.19 0.88 0.90 0.00 0.00 72 I 8.37 4.84 1.87 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 1.27 0.91 0.91 0.00 0.00 73 A 9.19 4.81 1.18 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 74 E 9.20 4.95 0.00 1.97 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 2.34 2.29 0.00 75 K 9.51 4.20 0.00 1.56 2.12 0.00 1.53 0.00 0.00 1.78 0.00 0.00 2.99 0.00 0.00 3.24 0.00 0.00 0.00 0.00 1.62 1.37 7.81 76 T 7.61 4.79 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 1.21 0.00 0.00 77 K 8.77 4.09 0.00 1.73 1.86 0.00 1.71 0.00 0.00 1.68 0.00 0.00 2.91 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.41 1.43 7.81 78 I 7.51 4.29 1.79 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 1.32 1.16 0.87 0.00 0.00 79 P 0.00 4.22 0.00 2.16 2.02 0.00 3.78 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.94 0.00 80 A 8.68 3.89 1.54 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 0.00 0.00 81 V 7.10 4.87 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 0.79 0.00 0.00 0.91 0.00 0.00 82 F 9.61 5.04 0.00 2.94 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 83 K 9.08 4.87 0.00 1.80 1.66 0.00 1.62 0.00 0.00 1.84 0.00 0.00 2.86 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.35 1.40 7.81 84 I 9.24 4.37 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 1.11 1.01 0.92 0.00 0.00 85 D 8.41 5.46 0.00 2.63 2.62 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 86 A 7.32 4.54 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 L 8.57 4.01 0.00 1.65 1.75 0.92 0.96 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 88 N 7.85 4.70 0.00 2.71 2.79 0.00 0.00 6.84 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 89 E 8.53 4.43 0.00 2.10 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 2.39 2.62 0.00 90 N 9.00 5.47 0.00 2.76 2.66 0.00 0.00 6.60 7.43 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 91 K 8.69 5.10 0.00 1.76 1.72 0.00 1.63 0.00 0.00 1.58 0.00 0.00 2.80 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.37 1.37 7.81 92 V 9.07 4.89 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 0.67 0.00 0.00 0.93 0.00 0.00 93 L 9.20 5.24 0.00 1.65 1.60 0.96 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 94 V 9.06 4.37 2.18 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 1.03 0.00 0.00 1.01 0.00 0.00 95 L 8.80 4.11 0.00 1.67 1.76 0.95 1.12 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 96 D 7.88 4.58 0.00 2.83 2.61 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 97 T 8.03 4.16 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 0.57 0.00 0.00 98 D 7.19 4.51 0.00 2.76 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 99 Y 7.46 3.98 0.00 3.22 3.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 K 8.44 4.45 0.00 1.84 1.97 0.00 1.64 0.00 0.00 2.06 0.00 0.00 3.01 0.00 0.00 3.26 0.00 0.00 0.00 0.00 1.40 1.53 7.81 101 K 8.44 4.66 0.00 1.95 2.31 0.00 1.85 0.00 0.00 1.96 0.00 0.00 3.01 0.00 0.00 3.32 0.00 0.00 0.00 0.00 1.64 1.55 7.81 102 Y 8.79 5.83 0.00 3.16 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 0.00 103 L 8.97 4.48 0.00 0.76 0.46 0.30 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 104 L 9.16 5.32 0.00 1.73 1.72 1.09 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 105 F 8.83 5.46 0.00 3.22 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 0.00 106 C 9.32 5.44 0.00 2.93 2.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 M 9.39 5.37 0.00 1.98 2.02 0.00 0.00 0.00 0.00 0.00 2.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.95 2.64 0.00 108 E 9.05 5.02 0.00 2.05 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 0.00 2.21 2.26 0.00 109 N 9.09 4.63 0.00 2.61 2.80 0.00 0.00 7.03 7.11 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 0.00 110 S 8.19 4.19 0.00 3.87 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 A 8.36 4.34 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 0.00 112 E 8.50 4.19 0.00 2.06 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 0.00 2.11 2.04 0.00 *115 Q 7.88 4.17 0.00 2.24 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.82 0.00 0.00 0.00 0.00 0.00 2.26 2.31 0.00 116 S 7.64 4.68 0.00 3.87 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 0.00 117 L 8.69 5.30 0.00 1.78 1.41 1.00 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 118 V 8.98 4.90 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 0.90 0.00 0.00 0.93 0.00 0.00 119 C 9.52 5.39 0.00 2.88 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 0.00 120 Q 8.75 4.92 0.00 1.47 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.75 0.00 0.00 0.00 0.00 0.00 2.06 1.59 0.00 121 C 8.04 4.63 0.00 1.44 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 0.00 0.00 0.00 122 L 9.19 5.38 0.00 1.43 1.75 0.63 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 123 V 8.96 5.36 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 0.93 0.00 0.00 1.14 0.00 0.00 124 R 9.06 3.74 0.00 1.62 1.79 0.00 2.54 0.00 0.00 2.25 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 1.47 0.00 125 T 7.66 4.76 4.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 126 P 0.00 4.47 0.00 2.03 1.84 0.00 3.57 0.00 0.00 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.44 0.00 127 E 7.75 4.14 0.00 1.99 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 2.32 2.34 0.00 128 V 8.12 4.08 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 0.66 0.00 0.00 0.93 0.00 0.00 129 D 7.83 4.73 0.00 2.63 2.57 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 0.00 130 D 8.27 4.99 0.00 2.83 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 0.00 131 E 8.23 3.84 0.00 2.16 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 2.05 2.19 0.00 132 A 7.84 3.58 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 0.00 133 L 7.82 4.01 0.00 1.84 1.77 0.94 0.99 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 0.00 134 E 8.26 3.99 0.00 2.09 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 2.41 2.47 0.00 135 K 8.29 3.95 0.00 1.40 1.72 0.00 0.97 0.00 0.00 1.49 0.00 0.00 2.89 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.35 1.41 7.81 136 F 8.45 4.28 0.00 3.09 3.21 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 0.00 137 D 8.00 4.17 0.00 2.93 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 0.00 138 K 8.38 4.02 0.00 1.81 1.97 0.00 1.68 0.00 0.00 1.64 0.00 0.00 2.97 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.42 1.43 7.81 139 A 8.26 4.05 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 140 L 7.75 4.21 0.00 1.38 1.44 -0.01 0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 141 K 7.66 3.89 0.00 1.90 1.93 0.00 1.80 0.00 0.00 1.68 0.00 0.00 3.05 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.42 1.42 7.81 142 A 7.85 4.16 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 0.00 143 L 7.28 4.75 0.00 1.56 1.51 0.86 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 144 P 0.00 4.49 0.00 2.13 2.15 0.00 3.63 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.94 0.00 145 M 7.72 4.47 0.00 1.94 1.92 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.38 0.00 146 H 8.97 4.99 0.00 2.97 3.26 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 0.00 147 I 7.43 4.62 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 1.23 1.30 0.92 0.00 0.00 148 R 8.60 5.15 0.00 1.77 1.71 0.00 3.15 0.00 0.00 3.19 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.67 0.00 149 L 9.49 4.78 0.00 1.67 1.09 0.90 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 150 S 8.17 4.88 0.00 3.61 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 0.00 151 F 8.97 4.53 0.00 2.99 3.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 152 N 8.81 4.61 0.00 2.67 2.79 0.00 0.00 7.02 7.69 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 0.00 153 P 0.00 4.38 0.00 2.02 2.00 0.00 3.70 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.17 0.00 154 T 8.10 4.12 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 1.07 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.