NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.5027 8.1633 120.2806 54.7160 34.0167 174.3788 2 K 4.1178 8.6380 124.8681 56.4358 33.2638 171.3978 3 V 4.9056 9.6476 119.2441 59.8473 36.7165 174.9426 4 I 4.6235 8.5271 122.5697 58.8214 38.0794 174.4850 5 L 3.6201 8.0026 125.7192 54.1274 43.0676 175.3973 6 L 4.5925 8.6331 118.4972 54.8263 43.9384 176.4695 7 E 4.2903 8.8897 121.0188 56.6324 31.0426 175.8511 8 P 4.7804 0.0000 0.0000 62.9969 31.7685 175.5031 9 L 4.8080 8.3098 124.2343 52.1229 45.6566 175.4173 10 E 3.9774 8.5734 120.7426 57.1881 29.8973 177.5552 11 N 4.2491 9.0553 122.5688 54.1918 39.0147 173.8788 12 L 4.6562 8.0420 117.5239 53.7806 41.5103 176.4075 13 G 3.7722 8.2278 116.9542 45.5920 0.0000 171.4079 14 D 4.3865 8.0131 118.5740 52.4353 40.7852 177.4037 15 V 4.2415 8.0495 117.7806 61.0763 31.9131 177.6484 16 G 4.0161 8.5387 106.0364 46.9909 0.0000 173.9557 17 Q 3.9818 8.4124 122.5649 56.2699 30.1067 175.5061 18 V 4.6056 8.5255 127.4960 61.9896 31.3285 174.9730 19 V 4.6504 8.4572 127.1242 59.5896 34.8068 174.0856 20 D 5.4110 8.4730 121.0336 52.1921 40.8437 175.9129 21 V 4.5076 8.3757 114.5590 59.2828 36.8116 174.3340 22 K 3.7423 8.7432 122.3805 56.8638 32.6037 175.2883 23 P 4.4041 0.0000 0.0000 66.0789 31.3313 178.3268 24 G 3.7660 8.3189 103.5457 48.9292 0.0000 174.1205 25 Y 3.9409 8.7805 118.9911 60.5402 38.6153 179.3214 26 A 3.8605 8.6103 119.1974 54.9578 19.2247 179.7076 27 R 3.7845 8.1914 116.2636 57.8118 30.5091 177.3708 28 N 4.8546 7.7815 113.0031 52.8905 39.8223 173.6209 29 Y 4.1591 7.9302 117.2800 57.1589 40.9070 176.8933 30 L 3.7665 7.4783 119.8719 58.8699 43.0170 178.3839 31 L 4.3231 8.7636 123.7815 57.2782 43.0201 177.5895 32 P 4.3210 0.0000 0.0000 65.7841 31.6042 178.0966 33 R 4.1452 8.5167 115.9237 55.7669 29.5197 178.3645 34 G 3.9562 8.0744 105.0572 46.3253 0.0000 175.7089 35 L 4.2536 7.8676 118.8577 55.5546 41.2984 176.0618 36 A 4.5760 6.9286 121.2805 51.9948 23.4773 175.3372 37 V 4.5587 7.4586 117.8998 60.6745 35.5468 174.4447 38 L 4.4505 8.6486 126.7801 56.0204 40.7496 177.5887 39 A 4.3929 9.2207 128.4675 52.2960 16.3974 177.4483 40 T 4.2603 7.8310 112.0580 60.9907 71.4326 175.8194 41 E 4.0180 8.7303 119.4609 60.3909 29.6355 178.6980 42 S 3.6303 8.3916 108.8699 61.5874 62.9567 176.3594 43 N 4.1511 8.3867 120.4739 56.9630 39.2336 176.0110 44 L 3.8827 7.6557 121.3546 58.6591 41.9871 179.3129 45 K 4.0326 8.6525 118.4433 59.6702 32.5843 178.5606 46 A 3.9367 7.8371 121.6943 55.1290 18.1761 178.9293 47 L 3.8556 7.7000 118.4758 58.7338 41.9166 179.0857 48 E 3.9443 7.7346 116.8745 60.1605 29.2120 178.3426 49 A 3.7937 8.0780 117.4125 55.7703 18.6696 179.2769 50 R 4.0020 8.3202 113.3337 59.5665 30.4712 179.3519 51 I 3.6201 7.6051 118.5599 63.5174 38.3344 177.6789 52 R 4.6293 7.2983 115.1381 54.1277 27.2296 174.3048 53 A 4.7092 7.2810 124.3415 54.2457 26.3000 178.7668 54 Q 3.8977 7.6390 114.9444 59.0904 29.1275 177.5092 55 A 4.4259 7.9296 117.6290 52.2923 18.8548 177.2125 56 K 4.5451 7.7858 113.3497 56.3529 32.8187 176.4494 57 R 4.3690 7.9188 120.2277 57.7960 31.4791 177.2850 58 L 4.1180 8.9891 118.4494 56.5969 42.5013 176.4996 59 A 4.6885 7.1912 119.6763 52.5987 18.6842 176.8440 60 E 4.6523 7.9613 119.0591 56.0684 31.6583 175.6862 61 R 4.4510 8.0618 114.9080 56.9576 31.6272 176.5042 62 K 4.2245 8.0561 116.3505 56.2991 32.4436 175.9949 63 A 4.6734 7.7076 117.1489 52.4116 20.0064 176.1675 64 E 4.3886 8.1765 114.8176 56.4360 30.4128 176.8551 65 A 4.5672 7.8135 121.1065 51.8861 19.4093 177.2302 66 E 4.7894 8.0775 114.0475 56.6334 30.5909 176.5583 67 R 4.5452 7.9432 116.1372 55.6565 31.9480 175.9498 68 L 4.3367 7.3417 116.4857 56.2781 42.8752 177.9809 69 K 4.1560 7.7455 117.5395 58.1258 32.3768 176.7650 70 E 5.2972 7.7671 118.0349 55.8047 30.3612 175.8641 71 I 4.5951 7.4687 111.3096 61.7863 44.2783 176.2027 72 L 4.2863 7.6730 119.7673 56.3247 42.0797 178.1791 73 E 4.2371 7.6858 117.7964 58.0616 29.6072 176.7745 74 N 4.8529 7.6498 112.9573 52.8919 39.1166 174.0011 75 L 4.5562 7.9126 120.4748 53.5275 43.7200 175.7703 76 T 4.8049 8.1328 117.7339 59.7391 71.5050 173.0172 77 L 4.3426 8.4230 117.6814 56.5746 43.8092 176.9312 78 T 4.2096 7.6634 109.9745 63.4646 65.1213 170.7502 79 I 4.4812 7.6966 124.5774 58.1011 40.0051 173.9757 80 P 4.2642 0.0000 0.0000 63.1985 31.2583 176.2002 81 V 4.4455 8.0009 122.2682 61.5897 34.5002 173.3597 82 R 4.4318 8.7637 127.1301 55.9224 31.3191 175.5730 83 A 4.2575 7.7880 124.8780 53.6773 21.0886 176.9945 84 G 4.0717 8.0780 106.8449 45.2709 0.0000 172.5619 85 E 4.7212 7.7318 126.1266 56.8303 26.6068 176.7576 86 T 4.7844 7.1716 115.1543 64.2731 76.4400 173.3482 87 K 4.4946 7.8511 123.0318 55.9560 33.3449 175.4533 88 I 4.2501 8.0881 127.1167 59.1674 39.6210 176.3393 89 Y 4.3147 8.2313 121.6666 59.5031 37.9076 177.0914 90 G 4.0825 9.2937 109.4670 46.9295 0.0000 175.2224 91 S 3.3123 8.2135 112.8750 58.5967 63.6301 171.6936 92 V 4.8927 8.7154 117.6494 59.8558 32.3230 174.2897 93 T 4.4830 7.9076 119.2588 60.1174 70.6251 175.6747 94 A 3.8351 7.9672 124.8092 55.1093 18.6579 179.2030 95 K 3.8194 8.0646 114.8335 60.3931 32.8185 178.5898 96 D 4.4289 8.5865 117.7503 57.8792 41.1720 180.5324 97 I 4.1846 6.8628 117.2486 60.3806 36.1589 176.5005 98 A 4.7092 7.6470 120.2093 52.7840 25.1469 177.5592 99 E 4.2276 8.1309 116.7101 58.3823 30.3956 177.5425 100 A 4.4419 7.8176 117.8338 52.5029 17.7107 177.2741 101 L 4.6063 7.7474 117.3374 55.5471 43.5308 177.1040 102 S 5.4485 8.4708 110.2503 58.4617 62.7979 174.3330 103 R 4.6388 7.5856 113.7229 56.7696 33.5447 175.4050 104 Q 4.2459 8.2392 118.8921 58.1370 29.7755 175.6297 105 H 4.7267 8.3086 112.2562 58.1392 30.3036 174.8533 106 G 3.9314 7.8413 106.8620 45.5308 0.0000 173.3511 107 V 4.5031 7.5994 112.4729 59.3471 35.1864 174.6309 108 T 4.6905 8.2588 117.6012 62.1214 69.5679 174.7570 109 I 4.3660 8.0684 126.8721 59.1505 38.5990 174.8667 110 D 4.5340 8.8234 125.3340 54.2653 41.2045 175.7720 111 P 4.6428 0.0000 0.0000 63.2956 32.3981 176.5152 112 K 4.3851 7.7930 118.0892 58.1038 34.3510 177.8456 113 R 3.8477 7.8486 113.4928 56.6579 29.5032 177.2564 114 L 4.1082 7.7366 120.4032 55.2620 42.1597 176.7923 115 A 3.5359 7.7227 119.3104 53.1913 15.5930 178.2292 116 L 4.4307 7.5884 123.5767 53.7658 41.7759 175.6492 117 E 4.0698 8.6192 122.8294 58.3273 29.8235 177.5359 118 K 4.6346 7.5504 119.6342 52.6239 35.2386 176.7410 119 P 4.5828 0.0000 0.0000 62.1824 30.4449 177.9291 120 I 2.8457 8.8454 121.7285 59.7583 36.3605 174.3394 121 K 3.6629 8.4005 122.2073 56.5813 29.5468 176.8099 122 E 5.9800 7.4944 120.5004 55.5856 32.8259 176.8949 123 L 4.1401 8.8599 128.6181 55.4538 42.2995 176.9706 124 G 3.6051 7.7672 109.3509 45.7746 0.0000 173.0072 125 E 4.4916 8.5408 119.3685 56.4075 27.4418 175.9097 126 Y 4.5623 9.5203 121.3457 56.6121 38.2345 173.3512 127 V 4.2440 8.2151 122.8372 61.6752 31.9967 174.7809 128 L 4.9173 8.1033 131.2337 54.5784 44.8367 176.9688 129 T 4.6476 8.1922 120.2747 63.7823 71.7720 173.1189 130 Y 4.8647 8.2567 132.3924 57.5421 40.5414 175.0277 131 K 4.2326 7.0217 118.8082 55.4492 34.9100 172.7867 132 P 4.8680 0.0000 0.0000 63.9036 34.4648 176.1863 133 H 3.9858 8.6554 112.2850 55.3334 30.8807 173.8485 134 P 4.0970 0.0000 0.0000 62.4114 31.0829 175.4595 135 E 4.4570 8.6440 123.0349 56.2351 30.9493 177.5104 136 V 4.2927 8.3001 121.1441 59.1630 33.4074 172.4501 137 P 5.5423 0.0000 0.0000 62.5501 29.0325 174.6407 138 I 4.1125 7.8548 128.2343 62.1559 38.2302 174.8360 139 Q 4.6571 8.7331 128.0072 55.2658 31.1731 174.1763 140 L 4.7884 9.1293 126.7659 53.3744 44.9635 175.6800 141 K 4.4875 8.6771 127.5452 55.4636 33.6302 175.9107 142 V 4.6249 8.2161 119.6558 59.8069 33.7184 175.4050 143 S 4.5459 8.3496 120.1411 57.2548 64.3096 172.4897 144 V 4.3377 8.3832 116.8215 61.7167 34.5990 175.6095 145 V 3.5951 8.6028 123.4270 62.4927 31.3570 170.1935 *146 A 4.1219 8.5048 129.3593 52.4524 18.7144 175.8893 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 8.16 4.50 0.00 2.03 2.34 0.00 0.00 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.60 0.00 2 K 8.64 4.12 0.00 1.77 1.78 0.00 1.63 0.00 0.00 1.82 0.00 0.00 2.88 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.54 1.49 7.81 3 V 9.65 4.91 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 0.97 0.00 0.00 1.05 0.00 0.00 4 I 8.53 4.62 1.88 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 1.24 1.25 0.92 0.00 0.00 5 L 8.00 3.62 0.00 1.61 1.63 1.09 0.52 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 8.63 4.59 0.00 1.64 1.45 0.97 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 7 E 8.89 4.29 0.00 1.86 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 2.34 2.42 0.00 8 P 0.00 4.78 0.00 2.08 2.10 0.00 3.34 0.00 0.00 4.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.85 0.00 9 L 8.31 4.81 0.00 1.76 1.67 1.04 1.16 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 10 E 8.57 3.98 0.00 1.97 1.81 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 2.37 2.23 0.00 11 N 9.06 4.25 0.00 2.85 2.88 0.00 0.00 6.93 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 8.04 4.66 0.00 1.80 1.73 0.93 0.78 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 13 G 8.23 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 D 8.01 4.39 0.00 2.71 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 15 V 8.05 4.24 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 16 G 8.54 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 0.00 0.00 0.00 17 Q 8.41 3.98 0.00 2.18 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.85 0.00 0.00 0.00 0.00 0.00 2.36 2.32 0.00 18 V 8.53 4.61 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 0.94 0.00 0.00 19 V 8.46 4.65 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 0.77 0.00 0.00 0.93 0.00 0.00 20 D 8.47 5.41 0.00 2.69 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 21 V 8.38 4.51 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 0.58 0.00 0.00 1.10 0.00 0.00 22 K 8.74 3.74 0.00 1.78 1.78 0.00 1.61 0.00 0.00 1.76 0.00 0.00 2.97 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.53 1.57 7.81 23 P 0.00 4.40 0.00 2.22 2.13 0.00 3.69 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.19 0.00 24 G 8.32 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 Y 8.78 3.94 0.00 2.93 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 8.61 3.86 1.47 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 0.00 0.00 0.00 27 R 8.19 3.78 0.00 1.84 2.01 0.00 3.13 0.00 0.00 3.24 7.64 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 7.78 4.85 0.00 2.86 2.84 0.00 0.00 6.68 7.30 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 29 Y 7.93 4.16 0.00 2.47 1.97 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 30 L 7.48 3.77 0.00 1.87 1.69 1.23 1.17 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 31 L 8.76 4.32 0.00 1.65 1.70 0.97 0.89 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 32 P 0.00 4.32 0.00 2.16 2.00 0.00 3.71 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.18 0.00 33 R 8.52 4.15 0.00 1.56 1.68 0.00 2.21 0.00 0.00 2.68 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 1.23 0.00 34 G 8.07 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 7.87 4.25 0.00 1.75 1.78 0.99 0.87 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 36 A 6.93 4.58 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 37 V 7.46 4.56 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 0.92 0.00 0.00 0.93 0.00 0.00 38 L 8.65 4.45 0.00 1.68 1.72 0.93 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 39 A 9.22 4.39 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 40 T 7.83 4.26 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 1.30 0.00 0.00 41 E 8.73 4.02 0.00 2.08 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 2.33 2.35 0.00 42 S 8.39 3.63 0.00 3.86 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 43 N 8.39 4.15 0.00 2.73 2.90 0.00 0.00 6.44 6.74 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 44 L 7.66 3.88 0.00 1.91 1.85 0.93 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 45 K 8.65 4.03 0.00 2.00 2.06 0.00 1.40 0.00 0.00 1.65 0.00 0.00 2.99 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.65 1.49 7.81 46 A 7.84 3.94 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 47 L 7.70 3.86 0.00 1.96 1.72 0.93 1.04 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 48 E 7.73 3.94 0.00 2.28 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 2.34 2.48 0.00 49 A 8.08 3.79 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 50 R 8.32 4.00 0.00 2.02 2.03 0.00 3.17 0.00 0.00 3.17 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.86 0.00 51 I 7.61 3.62 1.99 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 1.77 0.69 0.91 0.00 0.00 52 R 7.30 4.63 0.00 1.89 1.95 0.00 3.11 0.00 0.00 3.23 7.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.61 0.00 53 A 7.28 4.71 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 54 Q 7.64 3.90 0.00 2.17 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.82 0.00 0.00 0.00 0.00 0.00 2.36 2.32 0.00 55 A 7.93 4.43 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 56 K 7.79 4.55 0.00 1.83 1.88 0.00 1.54 0.00 0.00 1.63 0.00 0.00 2.95 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.30 1.40 7.81 57 R 7.92 4.37 0.00 1.96 1.94 0.00 3.10 0.00 0.00 3.10 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.53 0.00 58 L 8.99 4.12 0.00 1.57 1.82 0.92 1.04 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 59 A 7.19 4.69 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 60 E 7.96 4.65 0.00 1.94 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 2.18 2.36 0.00 61 R 8.06 4.45 0.00 1.91 2.08 0.00 3.33 0.00 0.00 3.19 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.69 0.00 62 K 8.06 4.22 0.00 1.74 1.81 0.00 1.74 0.00 0.00 1.69 0.00 0.00 3.03 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.35 1.40 7.81 63 A 7.71 4.67 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 64 E 8.18 4.39 0.00 2.08 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 2.48 2.23 0.00 65 A 7.81 4.57 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 8.08 4.79 0.00 1.92 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 2.20 2.30 0.00 67 R 7.94 4.55 0.00 1.74 1.91 0.00 3.31 0.00 0.00 3.15 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.56 0.00 68 L 7.34 4.34 0.00 1.97 1.59 0.88 0.40 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 69 K 7.75 4.16 0.00 1.97 1.82 0.00 1.71 0.00 0.00 1.65 0.00 0.00 3.22 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.43 1.56 7.81 70 E 7.77 5.30 0.00 1.98 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 2.23 2.31 0.00 71 I 7.47 4.60 1.85 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 1.39 0.58 0.90 0.00 0.00 72 L 7.67 4.29 0.00 1.84 1.70 0.94 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 73 E 7.69 4.24 0.00 1.96 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 2.33 2.29 0.00 74 N 7.65 4.85 0.00 2.89 2.77 0.00 0.00 6.64 7.73 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 75 L 7.91 4.56 0.00 1.84 1.51 0.85 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 76 T 8.13 4.80 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 1.25 0.00 0.00 77 L 8.42 4.34 0.00 1.63 1.70 0.91 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 78 T 7.66 4.21 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 79 I 7.70 4.48 1.90 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 1.42 0.89 0.93 0.00 0.00 80 P 0.00 4.26 0.00 2.06 2.05 0.00 3.70 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 2.04 2.09 0.00 81 V 8.00 4.45 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 0.00 0.00 0.98 0.00 0.00 82 R 8.76 4.43 0.00 1.98 2.42 0.00 3.70 0.00 0.00 3.37 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.74 0.00 83 A 7.79 4.26 1.16 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 0.00 0.00 0.00 0.00 0.00 0.00 84 G 8.08 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 85 E 7.73 4.72 0.00 2.04 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.01 0.00 86 T 7.17 4.78 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 1.29 0.00 0.00 87 K 7.85 4.49 0.00 1.72 1.65 0.00 1.63 0.00 0.00 1.69 0.00 0.00 2.79 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.37 1.49 7.81 88 I 8.09 4.25 1.86 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 1.45 0.65 0.90 0.00 0.00 89 Y 8.23 4.31 0.00 2.94 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 90 G 9.29 4.08 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 0.00 0.00 0.00 0.00 0.00 0.00 91 S 8.21 3.31 0.00 4.26 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 V 8.72 4.89 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 0.61 0.00 0.00 1.02 0.00 0.00 93 T 7.91 4.48 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 1.21 0.00 0.00 94 A 7.97 3.84 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 95 K 8.06 3.82 0.00 1.80 1.85 0.00 1.70 0.00 0.00 1.82 0.00 0.00 3.01 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.54 1.44 7.81 96 D 8.59 4.43 0.00 2.79 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 97 I 6.86 4.18 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 1.24 0.62 0.92 0.00 0.00 98 A 7.65 4.71 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 0.00 0.00 0.00 0.00 0.00 99 E 8.13 4.23 0.00 1.99 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 2.24 2.38 0.00 100 A 7.82 4.44 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 7.75 4.61 0.00 1.63 1.55 0.82 0.74 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 0.00 102 S 8.47 5.45 0.00 3.95 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 0.00 103 R 7.59 4.64 0.00 1.78 1.87 0.00 3.25 0.00 0.00 3.15 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.68 0.00 104 Q 8.24 4.25 0.00 2.01 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.02 6.85 0.00 0.00 0.00 0.00 0.00 2.31 2.37 0.00 105 H 8.31 4.73 0.00 3.12 3.27 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 7.84 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 0.00 107 V 7.60 4.50 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 0.84 0.00 0.00 0.94 0.00 0.00 108 T 8.26 4.69 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 1.23 0.00 0.00 109 I 8.07 4.37 2.04 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 1.39 0.46 0.91 0.00 0.00 110 D 8.82 4.53 0.00 2.84 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 0.00 111 P 0.00 4.64 0.00 2.18 2.17 0.00 3.73 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 1.96 1.99 0.00 112 K 7.79 4.39 0.00 1.72 1.80 0.00 1.67 0.00 0.00 1.81 0.00 0.00 2.87 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.40 1.35 7.81 113 R 7.85 3.85 0.00 1.23 0.95 0.00 3.30 0.00 0.00 3.06 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.84 0.00 114 L 7.74 4.11 0.00 1.66 1.74 0.99 0.99 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 0.00 115 A 7.72 3.54 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 0.00 116 L 7.59 4.43 0.00 1.56 1.58 0.88 1.01 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 0.00 117 E 8.62 4.07 0.00 2.09 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 0.00 2.24 2.30 0.00 118 K 7.55 4.63 0.00 1.74 1.66 0.00 1.66 0.00 0.00 1.85 0.00 0.00 2.93 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.38 1.35 7.81 119 P 0.00 4.58 0.00 2.27 2.30 0.00 3.75 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 2.05 1.98 0.00 120 I 8.85 2.85 1.80 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.28 0.82 0.00 0.00 121 K 8.40 3.66 0.00 1.89 1.88 0.00 1.84 0.00 0.00 1.63 0.00 0.00 2.82 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.41 1.40 7.81 122 E 7.49 5.98 0.00 2.10 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 2.08 1.95 0.00 123 L 8.86 4.14 0.00 1.57 1.85 0.93 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 124 G 7.77 3.61 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 0.00 0.00 0.00 125 E 8.54 4.49 0.00 1.76 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 2.20 2.22 0.00 126 Y 9.52 4.56 0.00 3.05 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 8.22 4.24 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.00 0.00 0.95 0.00 0.00 128 L 8.10 4.92 0.00 1.69 1.26 1.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 129 T 8.19 4.65 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 1.26 0.00 0.00 130 Y 8.26 4.86 0.00 3.14 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 0.00 131 K 7.02 4.23 0.00 1.56 1.34 0.00 1.69 0.00 0.00 1.67 0.00 0.00 2.99 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.02 1.12 7.81 132 P 0.00 4.87 0.00 2.16 2.01 0.00 3.97 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 1.91 1.89 0.00 133 H 8.66 3.99 0.00 3.35 3.31 0.00 5.59 0.00 0.00 0.00 0.00 7.44 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 4.10 0.00 2.02 2.17 0.00 3.49 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 1.99 2.15 0.00 135 E 8.64 4.46 0.00 1.89 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 2.34 2.51 0.00 136 V 8.30 4.29 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 0.88 0.00 0.00 0.89 0.00 0.00 137 P 0.00 5.54 0.00 2.12 2.19 0.00 3.48 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 2.00 1.86 0.00 138 I 7.85 4.11 1.90 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 1.19 1.42 0.94 0.00 0.00 139 Q 8.73 4.66 0.00 2.16 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.84 0.00 0.00 0.00 0.00 0.00 2.42 2.38 0.00 140 L 9.13 4.79 0.00 1.77 1.76 0.97 0.73 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 0.00 141 K 8.68 4.49 0.00 1.76 1.75 0.00 1.70 0.00 0.00 1.82 0.00 0.00 2.86 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.61 1.47 7.81 142 V 8.22 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 0.86 0.00 0.00 1.16 0.00 0.00 143 S 8.35 4.55 0.00 3.76 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 144 V 8.38 4.34 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 0.93 0.00 0.00 145 V 8.60 3.60 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 0.94 0.00 0.00 *146 A 8.50 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.