NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.5945 8.1476 120.6153 55.1464 33.5427 174.1196 2 K 4.3134 8.3123 125.4957 56.4276 34.3139 171.1245 3 V 4.9115 8.9235 114.7980 59.8237 37.2618 175.6660 4 I 4.7409 8.2943 125.1963 60.4237 37.9061 175.9856 5 L 4.6509 8.5445 127.2100 54.4183 43.1473 177.1650 6 L 4.8462 8.9765 118.7479 52.7968 43.8848 176.0162 7 E 5.8073 8.4660 130.4565 55.6888 32.3263 174.4753 8 P 4.6776 0.0000 0.0000 62.4668 31.5741 173.7639 9 L 4.9476 8.8072 122.8803 54.1859 43.5088 173.4993 10 E 4.1500 8.2167 126.7599 57.5113 30.1797 176.1043 11 N 4.8407 9.8007 124.5552 53.8397 38.7418 174.5070 12 L 4.5517 6.9604 114.7310 53.3979 43.5294 174.9366 13 G 4.1918 8.6557 114.5632 45.9127 0.0000 169.8286 14 D 4.0658 8.6904 118.3793 52.7459 40.0698 175.1710 15 V 3.5700 7.3239 122.2648 61.2269 32.6201 177.4700 16 G 3.8067 9.0174 111.7029 45.8097 0.0000 172.8302 17 Q 4.4370 7.6977 121.9055 54.7324 32.0031 174.5643 18 V 4.6619 8.4308 119.3017 60.2558 32.5101 174.2182 19 V 4.6693 8.2833 126.7406 59.5498 34.4851 174.3178 20 D 5.1032 8.6231 121.5513 52.1613 41.6677 175.3362 21 V 4.7130 7.9774 112.0888 59.2030 36.2111 175.5202 22 K 4.2227 8.7343 120.8133 55.8445 32.9095 176.5226 23 P 4.2976 0.0000 0.0000 65.8384 30.9424 178.6279 24 G 4.0342 8.2551 103.8923 48.4703 0.0000 174.7838 25 Y 4.4372 8.2634 122.3112 60.0019 38.7233 177.8282 26 A 3.8582 7.9304 121.2730 55.3621 18.5370 179.7947 27 R 3.9865 8.1355 114.9052 58.1996 30.1869 177.4377 28 N 5.0191 7.7376 113.1806 52.8435 39.8862 173.9470 29 Y 4.5281 7.4834 116.8176 57.3563 40.3858 176.4704 30 L 3.7464 6.1897 117.4193 59.0330 43.5574 179.7463 31 L 4.1285 8.6106 119.1136 57.0368 41.6472 177.6852 32 P 4.2143 0.0000 0.0000 66.0609 31.3628 178.3478 33 R 4.1338 7.9704 112.4884 55.2789 31.0443 177.1487 34 G 3.9598 8.1257 107.8702 46.7517 0.0000 173.5663 35 L 4.8359 8.1803 114.4254 53.7207 44.9238 176.8169 36 A 5.1321 7.1270 119.5004 52.1615 22.2904 175.5062 37 V 4.4277 7.5760 117.8042 60.4582 35.8127 174.6614 38 L 4.2771 8.5742 124.1799 54.3800 41.8170 178.6275 39 A 4.4912 8.0458 129.2598 51.7967 15.9134 178.4431 40 T 3.9495 7.2634 110.2310 61.4183 70.2642 176.7222 41 E 4.3333 8.5417 128.9090 55.7719 26.9990 175.1431 42 S 4.5977 6.8860 115.3131 59.2511 69.1976 173.6508 43 N 4.8849 8.1513 116.4622 53.1414 37.8702 176.7346 44 L 4.1847 7.9619 122.7763 58.2315 42.4135 178.8882 45 K 4.2819 8.0123 117.6782 59.5202 32.2056 178.5688 46 A 4.0837 7.9364 121.5835 54.4994 18.2948 179.0494 47 L 3.9399 8.3063 119.9419 58.0750 42.1087 178.7238 48 E 4.0010 8.0678 118.3511 59.3010 29.1994 179.0441 49 A 4.1647 7.2062 115.2864 53.1602 18.1371 177.4298 50 R 4.4084 8.2372 117.8947 58.5452 32.4834 178.2728 51 I 3.8556 7.9223 118.4976 63.4622 37.5612 178.0472 52 R 4.3599 7.9031 115.5640 57.4383 30.6491 177.8465 53 A 4.1011 7.3799 117.9766 53.2820 18.3861 177.3187 54 Q 4.4288 8.6683 116.5567 55.9325 30.9381 176.7740 55 A 4.3604 7.4775 120.0473 53.8137 18.5104 178.0224 56 K 4.5763 8.0053 112.9846 56.5879 33.3853 176.8638 57 R 4.4427 7.6913 118.4415 58.2113 31.6443 177.4434 58 L 4.1688 8.4461 118.1043 56.3666 41.6996 177.3531 59 A 4.4362 7.8717 118.5783 53.1328 20.1690 177.4647 60 E 4.1875 8.2856 116.8536 57.7580 30.1270 177.7193 61 R 4.3294 7.7627 117.2368 58.3020 29.7289 177.8344 62 K 4.0533 7.6889 117.6045 57.9852 32.0484 177.7693 63 A 4.2908 7.4708 117.9309 53.7595 18.9664 178.0411 64 E 4.3643 8.1031 116.8069 57.7235 30.5108 177.6431 65 A 4.3164 7.2351 115.7898 53.8425 18.4540 177.9058 66 E 4.6027 7.6756 112.9163 56.4595 32.6171 175.6712 67 R 4.5664 8.0677 116.7803 55.8517 30.3275 176.2987 68 L 4.6190 7.3805 117.7550 54.3383 44.1637 177.6261 69 K 3.9961 7.7392 119.7586 59.7341 32.5801 179.5001 70 E 4.5222 7.8670 117.1634 56.1244 28.7486 177.8969 71 I 4.6487 8.1970 111.3720 60.7711 40.4097 175.5462 72 L 4.6520 7.5601 117.7591 54.3698 43.4522 176.2374 73 E 4.6301 8.2309 118.0767 55.9485 30.1332 175.6047 74 N 4.7381 7.8213 113.4090 54.5557 39.3473 174.3369 75 L 3.9402 7.6443 119.9183 54.9543 42.8070 175.7190 76 T 4.5357 8.1522 106.5785 61.8854 70.0221 171.4277 77 L 3.6525 7.9188 134.3471 54.3744 39.9519 173.2705 78 T 4.5587 8.1465 121.1735 63.0855 69.7692 174.2163 79 I 4.3830 7.6434 122.0271 58.8341 39.1540 174.4513 80 P 4.8369 0.0000 0.0000 63.0767 28.2902 174.1829 81 V 4.0948 7.7523 126.4802 62.0087 33.4663 175.6194 82 R 4.6157 8.8192 128.5371 55.9947 30.5919 176.8748 83 A 4.3954 7.3789 120.5798 52.6744 19.3363 178.5144 84 G 4.1541 7.9222 96.0771 45.9765 0.0000 172.0328 85 E 3.7853 8.3423 124.0705 57.2435 30.2269 176.2843 86 T 3.8488 8.3761 109.5851 62.5914 68.9700 176.9446 87 K 5.1046 8.3057 124.7110 54.6485 36.7309 174.6879 88 I 3.4567 7.2407 122.0207 60.7145 38.5610 174.2783 89 Y 4.5518 8.0564 125.5624 59.0188 41.7561 176.5316 90 G 3.9435 9.2162 105.8900 45.5395 0.0000 174.9095 91 S 3.5991 7.9822 116.7487 58.0775 65.2927 174.6716 92 V 4.3125 9.0744 125.6830 61.0810 32.2040 171.6994 93 T 3.1909 7.9646 106.7120 62.6166 69.6000 170.8362 94 A 4.4789 8.1011 122.4797 52.1402 18.6783 178.4057 95 K 4.6223 8.0049 116.9334 57.7413 38.4401 178.5021 96 D 4.3593 8.5539 120.0993 57.4727 40.7366 178.4847 97 I 3.6986 7.9215 117.9261 64.1157 37.2330 177.7447 98 A 4.1884 7.9613 121.9544 54.9859 18.3864 179.2450 99 E 3.9626 7.7785 115.5790 57.9685 30.9962 177.3174 100 A 4.7991 7.2181 119.8599 49.3008 19.2772 173.7784 101 L 4.3940 7.3925 128.0956 55.0610 47.4319 175.2696 102 S 4.9817 8.3804 110.6316 57.7373 63.0117 174.0283 103 R 4.4332 7.9303 116.1489 58.2857 32.1162 176.1666 104 Q 3.8945 7.8334 117.6434 57.7347 28.2856 176.5016 105 H 3.8908 8.1102 115.5175 56.0093 30.0488 173.5943 106 G 3.1036 7.1171 114.4732 45.8438 0.0000 173.0275 107 V 4.4918 7.4158 118.5144 60.7941 35.1939 174.0130 108 T 4.4699 8.1934 120.0509 62.7875 69.5006 174.7889 109 I 4.7054 7.9538 124.5070 59.7956 40.8042 175.3090 110 D 4.5740 10.6100 125.5796 53.1709 39.2428 175.3974 111 P 4.2907 0.0000 0.0000 63.7612 31.7442 177.5719 112 K 3.8772 7.8701 119.4504 58.2753 32.3654 178.6146 113 R 4.1282 7.7876 118.8336 55.7952 28.7236 177.8057 114 L 3.9456 7.3700 118.7238 54.8213 42.8745 179.4640 115 A 3.6666 7.8933 119.6391 52.4609 17.5216 177.3893 116 L 4.2299 7.7045 117.6333 54.3560 43.1800 175.6932 117 E 3.9915 8.9781 129.1929 57.0935 27.8977 179.3048 118 K 3.9153 9.2390 116.8130 54.8282 32.9485 172.0234 119 P 4.0932 0.0000 0.0000 63.8391 29.7676 177.5761 120 I 2.6888 6.8763 119.8324 58.9737 38.4372 175.5293 121 K 3.8655 7.7788 120.9419 56.8810 30.0948 175.0681 122 E 4.6650 7.7398 113.9431 55.0390 33.3455 175.1715 123 L 4.1728 8.5999 122.4961 54.5499 42.4041 175.2172 124 G 3.5582 8.5853 103.9267 44.2289 0.0000 171.9530 125 E 4.7536 8.0359 116.1898 54.8159 33.3304 175.0396 126 Y 5.3075 9.1973 119.4837 56.6579 43.4783 174.0976 127 V 4.8042 8.4463 119.0367 61.8319 34.4970 174.1110 128 L 5.2349 8.4153 128.9613 53.5588 45.6273 174.1498 129 T 4.4953 8.1314 108.3652 62.8111 71.7948 171.1505 130 Y 4.6866 8.5200 120.1376 58.3316 41.1930 171.4013 131 K 4.3998 9.1556 126.2259 54.4721 34.2368 175.3182 132 P 4.5155 0.0000 0.0000 63.8932 31.6149 178.6872 133 H 4.3855 9.1838 118.2248 56.7196 27.8463 177.3639 134 P 4.3430 0.0000 0.0000 61.8741 31.8425 176.2085 135 E 4.9258 8.8064 122.3187 57.0046 29.9978 177.3536 136 V 4.4309 8.0272 111.7323 60.2126 31.9972 170.9836 137 P 5.0816 0.0000 0.0000 63.3592 32.2887 176.8972 138 I 4.4623 8.3417 118.1562 58.8677 40.2996 174.5299 139 Q 4.4611 8.6215 127.5993 55.8939 30.2643 174.1705 140 L 5.1465 9.0474 128.3619 52.3498 44.4253 175.5275 141 K 5.2919 8.3240 125.5918 54.6256 34.9255 175.8283 142 V 4.4324 8.1315 122.1534 60.6683 31.7290 177.6590 143 S 4.5519 8.0758 123.7272 58.0100 63.5877 171.5278 144 V 4.2895 8.2537 110.2273 62.1549 35.8837 173.4384 145 V 2.8242 8.2281 121.7427 64.9020 30.5752 173.1876 *146 A 4.1219 8.5955 119.6218 52.2289 18.7144 176.2013 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 8.15 4.59 0.00 2.27 2.07 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.55 0.00 2 K 8.31 4.31 0.00 1.92 1.92 0.00 1.53 0.00 0.00 1.82 0.00 0.00 2.88 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.49 1.48 7.81 3 V 8.92 4.91 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 0.87 0.00 0.00 0.89 0.00 0.00 4 I 8.29 4.74 1.86 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 1.24 1.10 0.91 0.00 0.00 5 L 8.54 4.65 0.00 1.65 1.58 1.02 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 6 L 8.98 4.85 0.00 1.41 1.59 0.91 0.93 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 7 E 8.47 5.81 0.00 2.01 1.93 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 2.07 2.14 0.00 8 P 0.00 4.68 0.00 2.09 1.99 0.00 3.80 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 2.05 2.21 0.00 9 L 8.81 4.95 0.00 1.84 1.90 1.06 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 10 E 8.22 4.15 0.00 1.97 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 2.31 2.34 0.00 11 N 9.80 4.84 0.00 2.90 2.97 0.00 0.00 6.79 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 6.96 4.55 0.00 1.79 1.61 1.03 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 13 G 8.66 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 0.00 0.00 0.00 0.00 14 D 8.69 4.07 0.00 3.02 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 15 V 7.32 3.57 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 0.70 0.00 0.00 0.93 0.00 0.00 16 G 9.02 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 17 Q 7.70 4.44 0.00 2.29 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.71 0.00 0.00 0.00 0.00 0.00 2.29 2.29 0.00 18 V 8.43 4.66 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 19 V 8.28 4.67 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 0.81 0.00 0.00 0.95 0.00 0.00 20 D 8.62 5.10 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 21 V 7.98 4.71 2.24 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 0.81 0.00 0.00 0.94 0.00 0.00 22 K 8.73 4.22 0.00 1.89 1.76 0.00 1.71 0.00 0.00 1.83 0.00 0.00 2.92 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.55 1.49 7.81 23 P 0.00 4.30 0.00 2.17 2.14 0.00 3.66 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 2.14 2.22 0.00 24 G 8.26 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 Y 8.26 4.44 0.00 2.93 3.07 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 26 A 7.93 3.86 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 27 R 8.14 3.99 0.00 1.83 2.03 0.00 3.12 0.00 0.00 3.23 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.68 0.00 28 N 7.74 5.02 0.00 2.89 2.88 0.00 0.00 6.66 7.12 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 29 Y 7.48 4.53 0.00 3.17 2.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 L 6.19 3.75 0.00 1.72 1.56 0.57 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 31 L 8.61 4.13 0.00 1.80 1.70 0.93 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 32 P 0.00 4.21 0.00 2.07 2.11 0.00 3.72 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.23 0.00 33 R 7.97 4.13 0.00 1.48 1.76 0.00 2.21 0.00 0.00 2.78 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.41 0.00 34 G 8.13 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 35 L 8.18 4.84 0.00 1.62 1.60 0.81 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 36 A 7.13 5.13 1.15 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 37 V 7.58 4.43 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 1.00 0.00 0.00 0.92 0.00 0.00 38 L 8.57 4.28 0.00 1.54 1.61 0.91 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 39 A 8.05 4.49 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 40 T 7.26 3.95 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 1.25 0.00 0.00 41 E 8.54 4.33 0.00 1.98 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 2.31 2.30 0.00 42 S 6.89 4.60 0.00 3.79 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 43 N 8.15 4.88 0.00 2.91 2.88 0.00 0.00 7.09 7.67 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 44 L 7.96 4.18 0.00 1.93 1.65 0.92 1.02 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 8.01 4.28 0.00 2.02 2.06 0.00 1.56 0.00 0.00 1.82 0.00 0.00 3.09 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.78 1.50 7.81 46 A 7.94 4.08 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 47 L 8.31 3.94 0.00 1.67 1.95 0.99 0.94 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 8.07 4.00 0.00 2.24 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 2.33 2.48 0.00 49 A 7.21 4.16 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 50 R 8.24 4.41 0.00 2.07 1.90 0.00 3.13 0.00 0.00 3.16 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.55 0.00 51 I 7.92 3.86 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 1.52 1.12 0.91 0.00 0.00 52 R 7.90 4.36 0.00 1.97 2.16 0.00 2.98 0.00 0.00 3.34 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.60 0.00 53 A 7.38 4.10 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 54 Q 8.67 4.43 0.00 1.99 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.77 0.00 0.00 0.00 0.00 0.00 2.25 2.28 0.00 55 A 7.48 4.36 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 56 K 8.01 4.58 0.00 1.84 1.87 0.00 1.54 0.00 0.00 1.71 0.00 0.00 2.97 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.44 1.41 7.81 57 R 7.69 4.44 0.00 1.97 1.97 0.00 3.29 0.00 0.00 3.27 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.62 0.00 58 L 8.45 4.17 0.00 1.71 1.71 0.96 1.12 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 59 A 7.87 4.44 1.37 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 0.00 0.00 0.00 60 E 8.29 4.19 0.00 2.10 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 2.30 2.39 0.00 61 R 7.76 4.33 0.00 2.00 2.05 0.00 3.23 0.00 0.00 3.48 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.75 0.00 62 K 7.69 4.05 0.00 2.07 1.76 0.00 1.60 0.00 0.00 1.60 0.00 0.00 2.88 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.25 1.52 7.81 63 A 7.47 4.29 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 64 E 8.10 4.36 0.00 2.14 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 2.44 2.46 0.00 65 A 7.24 4.32 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 66 E 7.68 4.60 0.00 1.90 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 2.20 2.31 0.00 67 R 8.07 4.57 0.00 1.93 1.91 0.00 3.21 0.00 0.00 3.15 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.58 0.00 68 L 7.38 4.62 0.00 1.57 1.78 0.85 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 69 K 7.74 4.00 0.00 1.99 1.69 0.00 1.77 0.00 0.00 1.94 0.00 0.00 2.90 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.49 1.51 7.81 70 E 7.87 4.52 0.00 1.98 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 2.30 2.23 0.00 71 I 8.20 4.65 1.83 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 1.22 0.61 0.89 0.00 0.00 72 L 7.56 4.65 0.00 1.57 1.53 0.81 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 73 E 8.23 4.63 0.00 1.92 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 2.20 2.40 0.00 74 N 7.82 4.74 0.00 2.79 2.85 0.00 0.00 6.01 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 7.64 3.94 0.00 1.52 1.62 0.94 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 76 T 8.15 4.54 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 77 L 7.92 3.65 0.00 1.97 1.76 1.01 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 0.00 0.00 0.00 0.00 0.00 0.00 78 T 8.15 4.56 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 1.23 0.00 0.00 79 I 7.64 4.38 1.90 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 1.57 1.21 0.93 0.00 0.00 80 P 0.00 4.84 0.00 2.09 2.10 0.00 3.77 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.97 0.00 81 V 7.75 4.09 2.26 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 1.01 0.00 0.00 1.05 0.00 0.00 82 R 8.82 4.62 0.00 1.83 1.97 0.00 3.20 0.00 0.00 3.66 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.64 0.00 83 A 7.38 4.40 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 G 7.92 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 85 E 8.34 3.79 0.00 2.12 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 2.19 2.23 0.00 86 T 8.38 3.85 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 1.21 0.00 0.00 87 K 8.31 5.10 0.00 1.81 1.92 0.00 1.41 0.00 0.00 1.68 0.00 0.00 2.85 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.33 1.33 7.81 88 I 7.24 3.46 1.61 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.85 0.68 0.00 0.00 89 Y 8.06 4.55 0.00 3.13 3.18 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 90 G 9.22 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 91 S 7.98 3.60 0.00 3.99 3.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 V 9.07 4.31 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 0.76 0.00 0.00 0.86 0.00 0.00 93 T 7.96 3.19 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 1.29 0.00 0.00 94 A 8.10 4.48 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 95 K 8.00 4.62 0.00 1.80 1.78 0.00 1.66 0.00 0.00 1.65 0.00 0.00 2.87 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.36 1.40 7.81 96 D 8.55 4.36 0.00 2.91 2.70 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 0.00 0.00 0.00 97 I 7.92 3.70 1.90 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 1.56 0.45 0.95 0.00 0.00 98 A 7.96 4.19 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 99 E 7.78 3.96 0.00 2.02 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 2.36 2.55 0.00 100 A 7.22 4.80 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 101 L 7.39 4.39 0.00 1.87 1.75 0.95 0.79 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 0.00 102 S 8.38 4.98 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 0.00 103 R 7.93 4.43 0.00 2.00 1.91 0.00 3.44 0.00 0.00 3.16 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.57 0.00 104 Q 7.83 3.89 0.00 2.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.57 7.05 0.00 0.00 0.00 0.00 0.00 2.22 2.33 0.00 105 H 8.11 3.89 0.00 3.20 3.17 0.00 5.75 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 7.12 3.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 V 7.42 4.49 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 0.97 0.00 0.00 0.89 0.00 0.00 108 T 8.19 4.47 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 1.24 0.00 0.00 109 I 7.95 4.71 1.96 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 1.47 0.46 1.20 0.00 0.00 110 D 10.61 4.57 0.00 2.58 2.56 0.00 0.00 0.00 0.00 0.00 0.00 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 4.29 0.00 2.02 2.28 0.00 3.67 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 2.04 2.14 0.00 112 K 7.87 3.88 0.00 1.60 1.57 0.00 1.66 0.00 0.00 1.73 0.00 0.00 3.08 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.42 1.33 7.81 113 R 7.79 4.13 0.00 1.78 1.95 0.00 2.96 0.00 0.00 3.17 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 1.48 0.00 114 L 7.37 3.95 0.00 1.65 1.70 0.98 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 115 A 7.89 3.67 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 0.00 116 L 7.70 4.23 0.00 1.57 1.59 0.82 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 117 E 8.98 3.99 0.00 2.10 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 2.26 2.28 0.00 118 K 9.24 3.92 0.00 1.73 1.76 0.00 1.81 0.00 0.00 1.75 0.00 0.00 3.03 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.41 1.36 7.81 119 P 0.00 4.09 0.00 2.19 2.12 0.00 3.82 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.01 0.00 120 I 6.88 2.69 1.66 0.00 0.00 -0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.13 0.80 0.00 0.00 121 K 7.78 3.87 0.00 1.90 1.83 0.00 1.77 0.00 0.00 1.92 0.00 0.00 3.06 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.35 1.44 7.81 122 E 7.74 4.67 0.00 2.13 1.90 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 2.22 2.29 0.00 123 L 8.60 4.17 0.00 1.57 1.63 1.04 0.93 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 0.00 124 G 8.59 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.04 4.75 0.00 1.72 1.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.18 0.00 126 Y 9.20 5.31 0.00 2.82 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 0.00 127 V 8.45 4.80 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 0.85 0.00 0.00 0.96 0.00 0.00 128 L 8.42 5.23 0.00 1.61 1.60 0.91 0.52 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 0.00 129 T 8.13 4.50 4.34 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 1.29 0.00 0.00 130 Y 8.52 4.69 0.00 2.99 2.72 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 0.00 131 K 9.16 4.40 0.00 2.11 1.90 0.00 1.85 0.00 0.00 1.81 0.00 0.00 3.02 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.40 1.58 7.81 132 P 0.00 4.52 0.00 1.74 1.53 0.00 3.77 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.04 0.00 133 H 9.18 4.39 0.00 3.22 2.82 0.00 5.72 0.00 0.00 0.00 0.00 7.20 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 4.34 0.00 2.08 2.05 0.00 3.68 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.12 0.00 135 E 8.81 4.93 0.00 1.99 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 2.36 2.32 0.00 136 V 8.03 4.43 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 0.65 0.00 0.00 0.88 0.00 0.00 137 P 0.00 5.08 0.00 1.97 2.16 0.00 3.71 0.00 0.00 4.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.00 0.00 138 I 8.34 4.46 1.86 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 1.11 0.93 0.00 0.00 139 Q 8.62 4.46 0.00 2.18 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.90 0.00 0.00 0.00 0.00 0.00 2.45 2.38 0.00 140 L 9.05 5.15 0.00 1.79 1.52 1.03 0.89 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 0.00 141 K 8.32 5.29 0.00 1.92 1.79 0.00 1.68 0.00 0.00 1.74 0.00 0.00 2.90 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.70 1.24 7.81 142 V 8.13 4.43 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 0.80 0.00 0.00 1.15 0.00 0.00 143 S 8.08 4.55 0.00 3.93 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 0.00 144 V 8.25 4.29 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 0.79 0.00 0.00 0.94 0.00 0.00 145 V 8.23 2.82 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 0.95 0.00 0.00 0.94 0.00 0.00 *146 A 8.60 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.