NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.5014 8.3049 120.6161 54.8912 32.9926 174.4825 2 K 4.0545 8.3414 125.4088 56.2294 33.6034 171.0915 3 V 4.9804 9.3361 117.3643 59.9715 37.0332 174.0595 4 I 4.5152 8.4197 124.9514 60.8339 38.9929 174.6938 5 L 4.7828 8.3047 125.2222 53.7944 43.1878 176.8279 6 L 4.1297 8.5811 124.7114 56.6131 41.9628 176.4189 7 E 4.3738 7.8477 118.9142 53.8546 30.7731 174.1649 8 P 4.4665 0.0000 0.0000 62.6889 32.1570 175.5146 9 L 4.7304 8.1886 120.7021 52.4747 44.5441 176.0617 10 E 4.0333 8.5389 123.8897 57.0303 30.4777 174.6527 11 N 4.9082 10.1395 124.2782 52.5393 37.5297 174.6385 12 L 4.3558 7.2533 114.3253 55.5925 42.9949 173.0706 13 G 3.6314 8.5103 117.4675 46.8417 0.0000 168.1623 14 D 4.6350 9.0312 128.6978 53.8607 39.4688 174.0496 15 V 3.9149 8.2185 117.0034 63.0320 32.2618 175.7105 16 G 4.3024 9.2585 114.0261 45.7368 0.0000 174.4003 17 Q 4.0294 7.7361 120.2476 55.6994 30.1394 176.2937 18 V 5.5069 7.9870 122.0112 60.7697 30.5964 174.1373 19 V 4.2725 7.3960 124.1074 61.2486 34.4136 175.9159 20 D 5.1124 8.3171 118.2666 52.4709 42.4280 174.5606 21 V 4.5934 8.0686 111.6103 59.1076 35.7091 174.9643 22 K 3.9880 8.6287 119.2720 56.4881 32.8511 176.3132 23 P 4.3929 0.0000 0.0000 65.9018 30.8839 179.2285 24 G 3.8106 8.2489 103.9463 48.1091 0.0000 174.8687 25 Y 4.4207 7.9000 120.5527 60.6060 38.8357 177.6318 26 A 3.9876 8.0203 121.2557 55.3344 18.5532 179.6281 27 R 4.1369 8.0870 114.8997 58.0700 30.1866 177.3748 28 N 5.0601 7.6683 113.5350 52.8461 39.5119 173.8251 29 Y 4.9364 7.3688 119.3129 57.7208 45.5067 175.7061 30 L 3.7705 7.5228 123.0232 57.3066 43.1241 179.5375 31 L 4.1851 7.9104 118.0583 56.2253 42.4589 177.2901 32 P 4.4107 0.0000 0.0000 65.3547 31.3731 177.4083 33 R 4.1872 8.2861 115.8947 54.9811 29.9346 176.4894 34 G 3.9690 7.8588 106.2892 46.6838 0.0000 174.2758 35 L 4.2739 7.7721 117.1147 53.9660 42.5551 176.5580 36 A 4.6746 7.1428 118.1053 52.6094 22.8465 175.4228 37 V 4.4291 7.6534 113.5179 61.4650 35.5643 174.4200 38 L 4.2786 8.5966 125.3672 54.5115 41.9651 178.7460 39 A 4.4910 8.7720 129.7400 51.7363 16.5151 178.3267 40 T 4.0158 7.9160 112.3644 62.1424 70.1998 175.5271 41 E 3.7543 8.9640 126.3404 59.7486 29.4027 178.9465 42 S 4.0328 8.2787 112.1051 62.4002 62.2142 176.0964 43 N 4.4166 8.1525 118.2951 55.6744 38.1744 177.2764 44 L 3.9310 8.2954 122.4870 58.1337 42.4179 178.8773 45 K 4.1391 8.5423 118.6391 59.5255 32.4638 178.8105 46 A 3.9670 7.7243 122.0296 55.0557 18.1199 179.3631 47 L 3.9082 8.1992 118.9483 58.0893 42.1431 178.7003 48 E 3.9055 8.2241 118.6093 59.5576 29.5503 179.0044 49 A 3.9390 8.0409 119.7922 55.6530 18.2240 179.5842 50 R 3.9289 7.4656 114.4954 60.1472 30.3727 178.0642 51 I 3.9257 8.2123 120.6218 62.4293 36.7744 177.4963 52 R 4.0498 7.9549 121.3102 59.2295 29.3199 177.7726 53 A 4.6185 7.4411 119.7723 52.0455 18.9613 177.5801 54 Q 4.4173 8.5315 117.9493 56.3303 31.2515 175.5817 55 A 4.5267 8.0486 120.0576 53.1451 20.3181 179.2531 56 K 4.1751 7.9475 114.2527 58.6668 33.4062 178.5636 57 R 4.2300 7.8254 119.1556 58.3911 30.3731 178.1193 58 L 3.9594 7.4340 118.7473 57.9069 41.9183 178.0246 59 A 4.4491 7.5511 116.9378 52.6324 18.8607 178.0300 60 E 4.1590 8.3354 120.4812 58.4035 29.7417 178.7899 61 R 4.0091 7.5545 117.0410 58.9129 30.2074 178.3447 62 K 3.8169 7.7866 116.8999 57.9054 31.8971 177.9164 63 A 4.1498 7.3779 119.3506 55.0511 18.2723 178.4623 64 E 4.3666 8.9293 116.3538 56.9613 29.9198 178.0166 65 A 3.9726 7.4538 121.0589 55.1236 18.4650 179.5024 66 E 3.9304 8.1651 115.8056 58.8302 29.8697 178.7215 67 R 4.6820 7.0659 116.5877 55.5575 30.2630 177.0002 68 L 4.4260 7.9778 117.7660 53.9887 43.0309 174.9381 69 K 4.7011 7.9384 118.4220 57.1738 40.1180 176.9765 70 E 4.1202 8.0412 119.2358 58.4280 29.8923 177.6678 71 I 4.2727 7.7467 109.0559 62.0423 39.5991 176.9669 72 L 4.5642 7.7178 122.2662 53.6910 41.1565 175.1208 73 E 4.5188 7.8340 120.5785 57.8823 32.5793 176.8104 74 N 4.3842 8.2278 114.1161 55.3308 37.5847 175.1539 75 L 4.2206 7.5985 120.0295 55.2048 42.8840 175.8079 76 T 4.3149 8.2849 110.4350 62.6670 70.2490 174.2779 77 L 3.3518 7.7022 119.2060 55.4045 40.4710 173.5203 78 T 4.7334 8.2383 117.2020 61.8988 71.9904 173.5661 79 I 4.4105 8.2972 123.8535 58.7582 39.7099 173.6474 80 P 5.0360 0.0000 0.0000 63.0931 28.8090 177.5659 81 V 3.8666 7.6722 128.7488 64.6992 33.3574 175.7828 82 R 4.4550 8.1676 113.0522 56.4642 31.6077 174.7962 83 A 4.9147 7.9542 135.0000 50.4831 20.8634 178.6462 84 G 3.9556 8.7562 104.0259 47.6809 0.0000 174.2781 85 E 3.8218 9.4708 131.5677 57.0720 27.3248 175.8901 86 T 4.0526 9.0139 115.5805 61.5202 69.7489 175.8688 87 K 3.8565 8.3293 115.1847 55.8336 33.2491 176.6880 88 I 4.4273 7.9661 124.9113 60.6312 39.3046 173.3656 89 Y 4.4651 8.7542 114.8025 60.0924 39.7384 177.2681 90 G 3.9255 8.3386 105.2751 44.1041 0.0000 173.5153 91 S 3.4356 8.0151 113.8714 58.4646 63.5749 171.5915 92 V 4.7536 7.7280 117.7094 60.2753 34.0385 174.8649 93 T 4.4058 8.8071 112.4624 60.8274 70.0017 172.7518 94 A 3.9748 7.4423 119.0417 55.1565 18.8370 179.6142 95 K 3.8463 7.9195 117.6057 58.5065 32.8073 178.2219 96 D 4.6201 8.0512 118.7964 56.3865 41.2568 178.5345 97 I 3.7080 8.8128 119.8554 64.3484 37.2770 177.8186 98 A 4.1069 8.0102 119.7450 56.3526 18.4195 178.5919 99 E 3.5137 8.5997 113.3231 60.8220 30.3540 177.9673 100 A 4.4116 7.5770 123.7858 51.2614 15.5815 175.9834 101 L 4.4567 7.1151 125.8635 55.2107 48.4890 175.4888 102 S 5.0071 8.6523 113.6976 57.9293 64.0215 174.3659 103 R 4.5954 7.9518 117.9728 57.8391 35.7686 175.7631 104 Q 4.4171 7.9853 115.6973 56.0371 28.8016 175.0448 105 H 4.5776 8.3801 111.1662 55.0878 35.2688 173.5463 106 G 3.8891 8.2208 107.7107 46.7755 0.0000 175.1758 107 V 4.1911 7.1108 115.1923 60.9886 32.9611 174.2178 108 T 3.7492 7.8983 122.1244 62.8997 68.9587 173.4142 109 I 4.2151 7.5492 124.9488 59.4003 41.1973 174.1062 110 D 4.4936 8.1593 127.3527 52.6554 40.7308 175.7113 111 P 4.7822 0.0000 0.0000 61.5738 30.9462 175.4174 112 K 4.5390 8.4777 125.5570 57.3693 40.3481 179.6050 113 R 4.5765 9.4172 126.2124 57.4692 27.4268 177.2823 114 L 5.4994 7.6240 111.6088 54.5952 43.7963 176.3604 115 A 3.7181 8.3106 115.6284 53.1754 14.8891 178.1711 116 L 4.7864 7.0444 119.3185 52.7411 45.3880 175.2761 117 E 4.4461 8.8891 120.4984 57.2946 31.8542 175.9206 118 K 4.3915 8.3675 117.0929 55.3493 30.6707 172.4322 119 P 4.1931 0.0000 0.0000 62.8629 31.6286 174.7685 120 I 3.5655 8.0879 122.4625 59.3457 37.2188 175.9003 121 K 3.6840 8.6935 123.9214 55.9264 30.6201 173.7364 122 E 4.8219 7.2051 119.7836 56.9863 33.8866 173.5476 123 L 4.7946 9.3764 117.1305 52.8566 46.9697 175.0847 124 G 4.2734 7.6547 111.4979 46.1539 0.0000 172.9451 125 E 5.0185 8.2714 125.3089 54.4453 32.1895 174.1828 126 Y 4.6366 8.6208 120.8386 56.2237 41.4016 175.0519 127 V 4.3754 8.5521 124.3783 62.6333 33.1929 175.4745 128 L 4.6985 7.7664 124.7973 55.2441 45.8435 173.7572 129 T 4.9971 9.0366 115.8190 64.7141 73.9163 173.1221 130 Y 6.1446 9.5892 119.5025 57.2411 40.4153 170.5275 131 K 3.5950 5.8977 121.6620 55.7345 31.9871 173.8067 132 P 4.2839 0.0000 0.0000 65.6643 32.1939 179.8520 133 H 4.4849 7.7406 118.2053 55.2471 29.6359 172.8704 134 P 4.1342 0.0000 0.0000 63.2566 32.1495 176.8259 135 E 5.0854 8.6389 121.1562 57.3949 31.3855 177.0127 136 V 4.6228 7.4893 110.6337 61.8178 33.7378 168.3442 137 P 5.1165 0.0000 0.0000 63.4731 31.9299 175.7664 138 I 4.4626 8.1984 126.7225 59.2058 39.5533 175.8383 139 Q 5.1819 8.5667 126.3528 56.7269 29.5995 174.8726 140 L 4.6389 7.8868 115.4542 55.1553 45.5321 173.2030 141 K 4.9949 7.7969 126.1437 54.6361 34.4777 175.6866 142 V 4.0017 7.9473 125.8080 61.8846 31.5311 177.1954 143 S 4.6917 9.1063 125.4903 57.7034 65.2719 175.0088 144 V 4.2860 9.1746 126.1960 62.4694 33.6828 172.8714 145 V 2.8433 9.1419 128.1989 63.9001 31.4212 171.4301 *146 A 4.1219 8.5223 127.5093 52.5056 18.7144 175.8244 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 1 M 8.30 4.50 0.00 2.06 2.11 0.00 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.59 0.00 2 K 8.34 4.05 0.00 1.80 1.71 0.00 1.89 0.00 0.00 1.82 0.00 0.00 2.88 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.53 1.48 7.81 3 V 9.34 4.98 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 0.76 0.00 0.00 0.94 0.00 0.00 4 I 8.42 4.52 1.85 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 1.22 1.10 0.92 0.00 0.00 5 L 8.30 4.78 0.00 1.66 1.54 0.99 0.36 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 6 L 8.58 4.13 0.00 1.51 1.66 0.91 0.89 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 7 E 7.85 4.37 0.00 1.87 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.34 0.00 8 P 0.00 4.47 0.00 2.22 2.04 0.00 3.75 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.98 0.00 9 L 8.19 4.73 0.00 1.91 1.61 0.92 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 10 E 8.54 4.03 0.00 1.94 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.26 0.00 11 N 10.14 4.91 0.00 2.82 3.29 0.00 0.00 6.87 7.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 L 7.25 4.36 0.00 1.70 1.64 0.97 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 13 G 8.51 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 D 9.03 4.64 0.00 2.90 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 15 V 8.22 3.91 2.13 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 0.69 0.00 0.00 0.92 0.00 0.00 16 G 9.26 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 0.00 0.00 0.00 0.00 17 Q 7.74 4.03 0.00 2.17 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.87 0.00 0.00 0.00 0.00 0.00 2.35 2.32 0.00 18 V 7.99 5.51 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 0.86 0.00 0.00 0.99 0.00 0.00 19 V 7.40 4.27 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 0.71 0.00 0.00 0.94 0.00 0.00 20 D 8.32 5.11 0.00 2.86 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 21 V 8.07 4.59 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 0.89 0.00 0.00 0.93 0.00 0.00 22 K 8.63 3.99 0.00 1.93 1.84 0.00 1.59 0.00 0.00 1.83 0.00 0.00 3.00 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.56 1.59 7.81 23 P 0.00 4.39 0.00 2.18 2.12 0.00 3.64 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 2.13 2.18 0.00 24 G 8.25 3.81 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 0.00 0.00 0.00 25 Y 7.90 4.42 0.00 2.99 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 26 A 8.02 3.99 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 R 8.09 4.14 0.00 1.85 2.04 0.00 3.12 0.00 0.00 3.24 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.69 0.00 28 N 7.67 5.06 0.00 3.05 2.89 0.00 0.00 6.67 7.34 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 29 Y 7.37 4.94 0.00 3.11 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 30 L 7.52 3.77 0.00 1.57 1.58 0.21 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 31 L 7.91 4.19 0.00 1.96 1.67 0.89 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 32 P 0.00 4.41 0.00 2.03 2.11 0.00 3.87 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.12 0.00 33 R 8.29 4.19 0.00 1.44 1.63 0.00 2.21 0.00 0.00 2.97 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.36 0.00 34 G 7.86 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 0.00 0.00 0.00 35 L 7.77 4.27 0.00 1.68 1.59 0.63 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 36 A 7.14 4.67 1.20 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 0.00 0.00 37 V 7.65 4.43 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 0.85 0.00 0.00 0.91 0.00 0.00 38 L 8.60 4.28 0.00 1.54 1.61 0.91 0.80 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 39 A 8.77 4.49 1.26 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 0.00 0.00 40 T 7.92 4.02 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 1.22 0.00 0.00 41 E 8.96 3.75 0.00 2.03 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 2.41 2.42 0.00 42 S 8.28 4.03 0.00 3.88 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 N 8.15 4.42 0.00 2.76 2.83 0.00 0.00 6.78 6.40 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 44 L 8.30 3.93 0.00 1.61 1.81 0.92 0.23 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 45 K 8.54 4.14 0.00 1.99 2.04 0.00 1.38 0.00 0.00 1.65 0.00 0.00 2.96 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.75 1.49 7.81 46 A 7.72 3.97 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 47 L 8.20 3.91 0.00 1.71 2.00 0.93 0.84 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 48 E 8.22 3.91 0.00 2.24 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 2.33 2.50 0.00 49 A 8.04 3.94 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 50 R 7.47 3.93 0.00 2.00 2.03 0.00 3.15 0.00 0.00 3.21 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.69 0.00 51 I 8.21 3.93 2.02 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 1.82 0.90 0.91 0.00 0.00 52 R 7.95 4.05 0.00 2.05 2.22 0.00 2.76 0.00 0.00 3.17 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.67 0.00 53 A 7.44 4.62 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 54 Q 8.53 4.42 0.00 2.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.54 0.00 0.00 0.00 0.00 0.00 2.25 2.30 0.00 55 A 8.05 4.53 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 56 K 7.95 4.18 0.00 1.92 1.94 0.00 1.57 0.00 0.00 1.70 0.00 0.00 3.05 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.55 1.52 7.81 57 R 7.83 4.23 0.00 1.87 2.00 0.00 3.29 0.00 0.00 3.26 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.74 0.00 58 L 7.43 3.96 0.00 1.81 1.84 0.95 1.12 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 59 A 7.55 4.45 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 60 E 8.34 4.16 0.00 2.32 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 2.27 2.38 0.00 61 R 7.55 4.01 0.00 1.99 1.97 0.00 3.44 0.00 0.00 3.28 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.69 0.00 62 K 7.79 3.82 0.00 1.53 1.69 0.00 1.64 0.00 0.00 1.77 0.00 0.00 2.90 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.43 1.38 7.81 63 A 7.38 4.15 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 64 E 8.93 4.37 0.00 2.07 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 2.28 2.47 0.00 65 A 7.45 3.97 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 66 E 8.17 3.93 0.00 2.01 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 2.39 2.28 0.00 67 R 7.07 4.68 0.00 1.83 1.94 0.00 3.67 0.00 0.00 3.15 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.64 0.00 68 L 7.98 4.43 0.00 1.69 1.88 0.98 0.65 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 69 K 7.94 4.70 0.00 1.80 1.83 0.00 1.95 0.00 0.00 1.83 0.00 0.00 3.25 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.58 1.41 7.81 70 E 8.04 4.12 0.00 2.09 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 2.43 0.00 71 I 7.75 4.27 1.87 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.67 0.91 0.00 0.00 72 L 7.72 4.56 0.00 1.61 1.65 0.88 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 73 E 7.83 4.52 0.00 1.99 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 2.49 0.00 74 N 8.23 4.38 0.00 2.85 2.95 0.00 0.00 5.95 7.79 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 75 L 7.60 4.22 0.00 1.62 1.59 0.92 0.87 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 76 T 8.28 4.31 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 1.29 0.00 0.00 77 L 7.70 3.35 0.00 1.82 1.76 0.58 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 78 T 8.24 4.73 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 79 I 8.30 4.41 1.83 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 1.25 1.07 0.88 0.00 0.00 80 P 0.00 5.04 0.00 2.06 2.10 0.00 3.36 0.00 0.00 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.80 0.00 81 V 7.67 3.87 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 0.80 0.00 0.00 1.00 0.00 0.00 82 R 8.17 4.45 0.00 1.73 1.77 0.00 3.21 0.00 0.00 3.10 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 1.45 0.00 83 A 7.95 4.91 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 84 G 8.76 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 E 9.47 3.82 0.00 2.16 1.60 0.00 0.00 0.00 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 2.23 0.00 86 T 9.01 4.05 4.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 87 K 8.33 3.86 0.00 1.65 1.60 0.00 1.62 0.00 0.00 1.75 0.00 0.00 2.86 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.48 1.38 7.81 88 I 7.97 4.43 1.87 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.78 1.04 0.00 0.00 89 Y 8.75 4.47 0.00 2.83 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 90 G 8.34 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 S 8.02 3.44 0.00 4.07 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 V 7.73 4.75 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 0.65 0.00 0.00 0.84 0.00 0.00 93 T 8.81 4.41 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 94 A 7.44 3.97 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 K 7.92 3.85 0.00 1.74 1.90 0.00 1.74 0.00 0.00 1.69 0.00 0.00 2.97 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.45 1.43 7.81 96 D 8.05 4.62 0.00 2.88 2.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 I 8.81 3.71 1.83 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.59 0.88 0.00 0.00 98 A 8.01 4.11 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 99 E 8.60 3.51 0.00 2.26 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.46 0.00 100 A 7.58 4.41 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 0.00 101 L 7.12 4.46 0.00 1.78 1.79 0.87 0.79 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 0.00 102 S 8.65 5.01 0.00 3.77 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 0.00 103 R 7.95 4.60 0.00 1.72 1.88 0.00 3.35 0.00 0.00 3.14 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.49 0.00 104 Q 7.99 4.42 0.00 1.98 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.54 6.80 0.00 0.00 0.00 0.00 0.00 2.17 2.31 0.00 105 H 8.38 4.58 0.00 3.31 3.23 0.00 5.91 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 0.00 106 G 8.22 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 0.00 107 V 7.11 4.19 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 0.81 0.00 0.00 0.98 0.00 0.00 108 T 7.90 3.75 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 109 I 7.55 4.22 1.90 0.00 0.00 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.38 0.85 0.00 0.00 110 D 8.16 4.49 0.00 2.71 2.40 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 0.00 111 P 0.00 4.78 0.00 2.20 2.08 0.00 3.83 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 1.98 1.97 0.00 112 K 8.48 4.54 0.00 2.16 1.28 0.00 1.69 0.00 0.00 1.71 0.00 0.00 2.95 0.00 0.00 3.29 0.00 0.00 0.00 0.00 1.39 1.38 7.81 113 R 9.42 4.58 0.00 2.05 2.17 0.00 2.96 0.00 0.00 3.38 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.69 0.00 114 L 7.62 5.50 0.00 1.73 1.68 0.52 0.87 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 0.00 115 A 8.31 3.72 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 0.00 116 L 7.04 4.79 0.00 1.61 1.78 0.95 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 117 E 8.89 4.45 0.00 2.07 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 2.09 2.19 0.00 118 K 8.37 4.39 0.00 1.81 2.05 0.00 1.87 0.00 0.00 1.78 0.00 0.00 2.90 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.40 1.41 7.81 119 P 0.00 4.19 0.00 2.20 2.08 0.00 3.82 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 2.01 2.04 0.00 120 I 8.09 3.57 1.72 0.00 0.00 0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.53 0.70 0.00 0.00 121 K 8.69 3.68 0.00 1.89 1.87 0.00 1.81 0.00 0.00 1.62 0.00 0.00 2.89 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.28 1.41 7.81 122 E 7.21 4.82 0.00 2.05 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 2.20 2.21 0.00 123 L 9.38 4.79 0.00 1.69 1.57 1.03 0.95 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 0.00 124 G 7.65 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 0.00 0.00 0.00 125 E 8.27 5.02 0.00 1.74 1.83 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 2.17 2.23 0.00 126 Y 8.62 4.64 0.00 2.88 2.85 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 0.00 0.00 0.00 127 V 8.55 4.38 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 0.80 0.00 0.00 0.94 0.00 0.00 128 L 7.77 4.70 0.00 1.86 1.83 0.98 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 129 T 9.04 5.00 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 1.26 0.00 0.00 130 Y 9.59 6.14 0.00 3.11 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 0.00 131 K 5.90 3.60 0.00 1.55 1.79 0.00 1.47 0.00 0.00 1.55 0.00 0.00 2.96 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.37 1.51 7.81 132 P 0.00 4.28 0.00 1.73 1.86 0.00 3.68 0.00 0.00 3.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.97 0.00 133 H 7.74 4.48 0.00 3.05 3.27 0.00 5.94 0.00 0.00 0.00 0.00 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 134 P 0.00 4.13 0.00 2.03 1.99 0.00 3.70 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.16 0.00 135 E 8.64 5.09 0.00 1.97 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.20 0.00 136 V 7.49 4.62 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 1.05 0.00 0.00 137 P 0.00 5.12 0.00 1.98 2.09 0.00 3.97 0.00 0.00 4.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 1.99 0.00 138 I 8.20 4.46 1.89 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 1.45 1.15 0.90 0.00 0.00 139 Q 8.57 5.18 0.00 2.10 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.59 6.84 0.00 0.00 0.00 0.00 0.00 2.35 2.37 0.00 140 L 7.89 4.64 0.00 1.75 1.52 0.99 0.65 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 0.00 141 K 7.80 4.99 0.00 1.72 1.73 0.00 1.74 0.00 0.00 1.60 0.00 0.00 3.41 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.71 1.36 7.81 142 V 7.95 4.00 2.13 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 0.74 0.00 0.00 0.98 0.00 0.00 143 S 9.11 4.69 0.00 3.89 3.58 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 0.00 0.00 0.00 144 V 9.17 4.29 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 0.62 0.00 0.00 0.95 0.00 0.00 145 V 9.14 2.84 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 0.74 0.00 0.00 0.94 0.00 0.00 *146 A 8.52 4.12 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 * Residues marked with a * may have inaccurate shift predictions.