NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3984 8.3049 120.3513 55.2529 33.3511 175.2487 2 L 4.2358 8.2683 125.8132 53.4168 43.0371 174.8767 3 K 4.3435 8.4805 119.8735 56.4237 34.4019 175.6677 4 Q 4.9939 8.9490 125.4225 54.6128 30.6492 174.4679 5 V 4.7213 8.6651 127.2277 61.1867 34.5786 174.0639 6 E 4.7518 9.0165 126.8470 55.3114 31.3501 175.2384 7 I 5.0063 8.5621 124.4878 59.4229 41.1701 174.3365 8 F 5.7941 9.6379 125.3077 55.0153 42.0070 174.4716 9 T 5.3303 8.3851 111.9381 60.6228 72.1910 172.2817 10 D 4.6330 8.6013 119.1614 53.8199 45.2927 174.5532 11 G 4.7341 8.7562 109.6491 44.9288 0.0000 171.4627 12 S 5.0109 8.8891 113.2225 57.3501 66.4428 172.5805 13 C 5.0538 8.3734 123.8911 57.6497 34.9900 173.5632 14 L 4.4165 9.1141 125.8150 54.1810 41.6942 177.3320 15 G 3.8882 6.8990 106.9078 46.7170 0.0000 173.3130 16 N 4.9367 8.1656 115.4333 52.3140 39.8586 173.3924 17 P 4.6117 0.0000 0.0000 62.0034 33.9222 175.3805 18 G 4.0691 7.6915 107.6662 45.5467 0.0000 170.3710 19 P 5.0608 0.0000 0.0000 62.2898 32.5738 176.3520 20 G 4.4184 8.9971 110.3189 45.4363 0.0000 170.7002 21 G 4.6338 8.9658 106.1133 45.7947 0.0000 171.9198 22 Y 5.5609 8.3354 117.4583 55.1287 42.1596 174.7420 23 G 4.6935 9.4648 106.7368 44.7833 0.0000 171.4427 24 A 5.5023 9.5824 125.1181 50.4171 23.3719 174.9503 25 I 5.1349 9.3290 121.4494 59.5400 41.1860 174.4346 26 L 5.3344 9.1736 126.6527 53.0418 44.5542 175.6432 27 R 5.2589 9.2858 122.7029 54.6034 33.9004 174.1208 28 Y 4.9385 8.5536 124.0300 56.0019 42.4220 174.5338 29 R 3.7997 8.5792 126.2160 57.7833 28.6026 177.1824 30 G 3.9859 8.7370 115.2032 46.0396 0.0000 172.7777 31 R 4.2554 8.1525 121.1366 55.7675 30.9425 175.0558 32 E 5.0467 8.4223 123.1988 55.2375 32.3524 174.0659 33 K 4.6230 9.3098 127.1730 54.9624 34.9256 175.4916 34 T 5.0529 8.0383 119.4173 61.7757 71.6233 173.4471 35 F 5.0225 9.0977 123.3843 56.0145 42.9778 173.9550 36 S 5.1098 8.9484 114.5772 58.4165 65.3312 173.5480 37 A 4.2942 7.1329 125.1231 50.8420 22.4356 175.2098 38 G 4.3807 8.3123 107.7561 44.5908 0.0000 171.6959 39 Y 5.3283 9.1419 119.8766 55.8829 41.0110 176.8210 40 T 3.8799 8.8921 114.4216 64.4834 69.9969 173.7700 41 R 4.4957 7.8520 122.2453 55.0877 32.5378 173.3992 42 T 4.0080 8.4287 123.6566 61.4198 71.0124 172.2775 43 T 4.7999 8.0850 108.0868 59.0081 72.4333 173.9955 44 N 4.2227 8.7701 120.3456 57.1768 38.9539 176.8052 45 N 4.1261 7.8868 117.1622 56.3415 38.5628 177.5246 46 R 3.9129 7.8643 119.3150 59.3515 30.0958 179.0255 47 M 4.2191 7.9811 118.5728 58.2106 31.4662 178.6178 48 E 4.1014 8.2975 118.9861 59.2173 29.6128 179.4469 49 L 3.8879 7.8466 118.8987 57.9708 41.7601 178.9787 50 M 3.8437 8.3345 118.3232 58.4860 32.0081 178.0748 51 A 3.5569 7.9511 120.5398 55.0091 18.6196 179.5253 52 A 3.9298 7.6172 118.0624 55.2415 18.4156 179.7781 53 I 3.5756 8.0486 118.7248 64.6353 37.2110 178.8584 54 V 3.3262 7.9605 118.9388 65.6864 31.0500 177.8212 55 A 3.6528 7.4516 119.3827 55.1993 18.6258 179.3719 56 L 3.9523 7.8604 117.4305 57.8511 41.5050 179.4202 57 E 4.0851 8.1495 116.9020 58.4128 29.4439 178.6311 58 A 4.1444 7.2488 119.7304 52.9042 18.4396 177.3479 59 L 4.0997 7.2179 118.1619 54.6097 41.7422 176.7136 60 K 4.5228 8.5177 123.1728 55.6580 32.2552 176.0626 61 E 4.6350 7.6308 114.6668 54.9425 31.8220 174.4325 62 H 4.3954 8.7264 118.2857 57.1181 29.3680 174.2517 63 C 5.0710 9.0397 119.4040 58.0014 33.1312 172.1890 64 E 5.0030 9.0342 119.5549 55.0585 31.2243 175.8849 65 V 4.6127 9.0078 123.5870 61.0167 35.4604 174.0130 66 I 4.3294 8.3958 128.1659 59.3290 39.4692 173.6004 67 L 4.5101 7.8146 132.9585 53.3300 43.7870 174.8407 68 S 5.3308 8.9756 122.8507 56.0821 64.4639 172.6566 69 T 5.1567 8.4514 120.6318 60.8630 70.9381 173.3386 70 D 5.5513 8.7705 123.7689 52.5004 40.2449 176.7141 71 S 4.2998 8.0203 116.0490 58.6515 62.9553 174.3364 72 Q 3.8834 8.7943 131.0062 59.0591 28.9467 177.2441 73 Y 4.2782 8.0595 120.3687 60.8645 38.9600 178.0722 74 V 3.7411 8.1665 119.2466 65.8028 31.5630 177.9253 75 R 2.0000 7.5401 118.4321 58.8573 29.7373 178.4998 76 Q 3.1659 7.7480 118.2047 58.3799 28.4797 179.1919 77 G 2.9292 7.3594 106.4086 47.5738 0.0000 175.8335 78 I 3.5341 7.2881 121.7483 64.1314 37.1742 178.4116 79 T 3.9336 7.2985 109.4182 63.5240 68.8068 175.3405 80 Q 4.0931 7.1147 116.7912 56.3140 31.0054 177.2759 81 W 3.6642 6.9523 117.8125 58.6650 29.0209 178.0197 82 I 3.4810 7.3312 118.9837 64.5630 37.3294 177.2001 83 H 4.1286 7.8341 115.9797 58.8972 28.5008 177.0403 84 N 4.1493 7.8286 118.1418 56.4386 38.6630 176.6084 85 W 4.1669 8.1076 120.3916 59.6186 29.0206 178.5291 86 K 3.2741 7.6184 118.1810 59.3772 31.3265 179.1094 87 A 3.9443 7.6083 119.2281 54.6318 18.3309 178.8639 88 R 4.5175 7.4862 115.2177 54.9508 30.6143 176.6408 89 G 4.2134 9.1428 106.2559 46.6238 0.0000 174.2666 90 W 3.3915 8.3393 116.1756 56.8704 26.4204 174.4026 91 K 4.8313 7.7272 114.0461 54.6810 37.4494 177.6167 92 T 4.4031 8.3458 120.4527 62.9399 67.4708 174.8466 93 A 4.3641 8.6718 135.0000 53.3292 21.2242 177.1714 *98 V 3.6489 7.7481 109.5129 60.4929 32.7042 175.4792 99 K 3.9974 8.3224 125.4531 57.6584 32.8893 176.2287 100 N 4.5831 8.9607 121.4196 54.2427 36.2895 176.9196 101 V 3.5887 7.2270 118.1217 64.9452 31.0628 176.7678 102 D 4.1923 7.9965 119.1879 56.4993 38.9539 178.7614 103 L 3.9003 7.7068 120.1355 56.8704 41.6038 179.3144 104 W 4.4019 8.1026 119.0076 59.9361 29.0094 178.6114 105 Q 3.7304 7.9694 118.2743 58.7097 28.0434 178.7932 106 R 3.8653 7.7197 119.5648 59.2692 30.0534 178.3284 107 L 4.0088 8.3798 120.6634 58.2052 41.9801 178.3867 108 D 4.5308 8.8322 118.2293 57.2873 40.9678 178.0962 109 A 4.0537 8.0892 120.0871 55.0888 18.6691 179.1364 110 A 4.1393 8.0032 119.4212 55.3545 18.4518 179.9298 111 L 4.1573 8.4889 118.4650 58.6100 40.2335 178.9303 112 G 3.8725 7.8173 104.8263 46.0076 0.0000 174.4899 113 Q 4.3717 7.9380 119.0369 55.5978 29.4481 174.3632 114 H 5.0492 7.2471 116.1520 54.1922 33.8572 172.6576 115 Q 4.4537 8.7837 119.1130 55.0947 29.9740 175.1318 116 I 4.6229 8.3544 124.7099 59.1437 40.2190 174.8991 117 K 4.3684 9.0356 128.9308 54.4492 33.6577 174.9275 118 W 4.4112 8.6436 127.9111 55.9748 30.5566 176.1187 119 E 4.3088 8.6348 123.6099 54.3396 31.7961 175.3092 120 W 5.2325 8.5180 125.7956 55.9294 29.9133 176.6989 121 V 4.4780 8.6294 118.9478 58.9871 33.8336 176.1655 122 K 4.6242 8.4218 127.8127 57.4978 32.3056 178.9532 123 G 3.9001 8.6074 101.3609 45.0717 0.0000 173.6130 124 A 3.5737 7.5883 127.6946 51.1239 17.0458 181.0273 125 A 3.6118 9.8158 112.6990 53.8993 15.3574 177.0319 126 G 4.1218 8.8412 104.3889 45.3793 0.0000 171.8951 127 H 4.8891 7.7742 115.5322 52.1640 29.6288 171.7298 128 P 4.1936 0.0000 0.0000 65.9222 31.6864 178.1398 129 E 3.7362 7.7659 116.4201 59.1573 29.1332 179.0673 130 N 4.4922 7.9433 116.2905 56.1996 38.6628 177.1260 131 E 4.0039 8.1578 120.0133 59.5966 29.4971 179.6658 132 R 3.9150 8.0587 117.9798 59.3426 29.9608 179.0132 133 C 4.2096 7.9084 116.3597 62.6912 28.0775 175.4514 134 D 4.4622 8.2917 119.6937 57.5251 40.8370 178.2562 135 E 3.9699 8.5085 119.2802 59.3406 29.4652 179.3224 136 L 3.9787 8.2928 119.1056 57.7041 41.6893 179.4506 137 A 4.0069 8.4079 121.0534 55.3545 18.1451 179.9571 138 R 3.8873 8.0852 115.3460 59.1514 30.2680 178.9606 139 A 4.0949 8.1347 120.4878 55.1194 18.4562 179.5202 140 A 3.8747 8.0989 119.1202 55.2778 18.1895 179.7513 141 A 4.1579 7.9579 118.3579 55.4041 18.5221 179.2881 142 M 4.2613 7.6095 115.3736 56.9230 33.3750 176.5546 143 N 5.0306 7.8222 116.1468 50.9912 39.7958 172.9316 144 P 4.3472 0.0000 0.0000 63.2664 32.3364 177.0296 145 T 4.5085 8.1406 107.9984 60.7527 70.4195 172.9855 146 L 4.6844 7.7236 122.2057 52.7378 44.8761 174.7239 147 E 4.9859 8.4537 117.7465 54.7706 31.2364 176.7935 148 D 4.7671 8.6474 124.8504 52.7975 39.5718 175.9495 149 T 3.9154 8.3015 119.5998 66.2136 68.9390 175.7120 150 G 3.8953 8.0158 107.2213 46.2036 0.0000 173.2320 151 Y 4.2031 8.1030 122.2802 57.6572 39.1838 175.0628 152 Q 4.1554 7.6423 125.1755 53.3742 31.9790 175.5112 153 V 3.5026 8.1692 120.9539 63.3938 31.3544 175.4745 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 4.40 0.00 2.02 2.06 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 2.50 2.61 0.00 2 L 8.27 4.24 0.00 1.75 1.58 0.93 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 3 K 8.48 4.34 0.00 1.52 1.28 0.00 1.29 0.00 0.00 0.83 0.00 0.00 2.98 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.29 1.48 7.81 4 Q 8.95 4.99 0.00 2.20 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.57 6.72 0.00 0.00 0.00 0.00 0.00 2.23 2.29 0.00 5 V 8.67 4.72 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 0.96 0.00 0.00 0.82 0.00 0.00 6 E 9.02 4.75 0.00 2.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.30 0.00 7 I 8.56 5.01 1.59 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.89 0.83 0.00 0.00 8 F 9.64 5.79 0.00 2.96 2.97 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 9 T 8.39 5.33 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 1.28 0.00 0.00 10 D 8.60 4.63 0.00 2.88 2.58 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 11 G 8.76 4.73 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 0.00 0.00 0.00 12 S 8.89 5.01 0.00 3.92 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 13 C 8.37 5.05 0.00 2.99 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 14 L 9.11 4.42 0.00 1.56 1.65 0.98 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 15 G 6.90 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 16 N 8.17 4.94 0.00 2.66 2.68 0.00 0.00 6.88 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 17 P 0.00 4.61 0.00 1.85 1.82 0.00 4.00 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.11 0.00 18 G 7.69 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 19 P 0.00 5.06 0.00 2.08 1.98 0.00 3.80 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 2.10 2.06 0.00 20 G 9.00 4.42 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 0.00 21 G 8.97 4.63 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 22 Y 8.34 5.56 0.00 3.12 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 23 G 9.46 4.69 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 0.00 0.00 0.00 24 A 9.58 5.50 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 25 I 9.33 5.13 2.11 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 1.30 0.94 1.03 0.00 0.00 26 L 9.17 5.33 0.00 1.80 1.66 1.12 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 27 R 9.29 5.26 0.00 1.85 1.88 0.00 3.14 0.00 0.00 3.29 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.74 0.00 28 Y 8.55 4.94 0.00 2.95 2.80 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 0.00 0.00 0.00 29 R 8.58 3.80 0.00 1.80 0.90 0.00 3.04 0.00 0.00 2.42 7.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.19 0.00 30 G 8.74 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 0.00 0.00 0.00 31 R 8.15 4.26 0.00 1.85 2.14 0.00 3.36 0.00 0.00 3.16 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.78 0.00 32 E 8.42 5.05 0.00 1.99 1.78 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 0.00 2.22 2.40 0.00 33 K 9.31 4.62 0.00 1.77 1.37 0.00 1.80 0.00 0.00 1.75 0.00 0.00 2.87 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.34 1.43 7.81 34 T 8.04 5.05 4.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 35 F 9.10 5.02 0.00 3.11 3.15 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 36 S 8.95 5.11 0.00 3.82 3.60 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 0.00 0.00 0.00 37 A 7.13 4.29 0.92 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 0.00 0.00 38 G 8.31 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 0.00 0.00 0.00 0.00 39 Y 9.14 5.33 0.00 2.85 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 40 T 8.89 3.88 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 1.21 0.00 0.00 41 R 7.85 4.50 0.00 1.77 1.83 0.00 3.24 0.00 0.00 3.20 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.45 0.00 42 T 8.43 4.01 4.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 43 T 8.08 4.80 4.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 44 N 8.77 4.22 0.00 2.82 2.81 0.00 0.00 6.92 6.71 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 45 N 7.89 4.13 0.00 2.43 1.83 0.00 0.00 7.11 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 46 R 7.86 3.91 0.00 1.92 1.86 0.00 3.41 0.00 0.00 3.25 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.63 0.00 47 M 7.98 4.22 0.00 2.33 2.26 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.86 2.81 0.00 48 E 8.30 4.10 0.00 2.30 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 2.42 2.69 0.00 49 L 7.85 3.89 0.00 1.70 1.40 0.36 -0.51 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 50 M 8.33 3.84 0.00 1.97 1.99 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.54 0.00 51 A 7.95 3.56 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 52 A 7.62 3.93 1.50 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 0.00 0.00 53 I 8.05 3.58 1.86 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.66 0.82 0.00 0.00 54 V 7.96 3.33 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 0.80 0.00 0.00 0.65 0.00 0.00 55 A 7.45 3.65 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 56 L 7.86 3.95 0.00 1.66 1.69 0.93 0.62 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 57 E 8.15 4.09 0.00 1.86 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 2.47 0.00 58 A 7.25 4.14 0.98 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 0.00 0.00 59 L 7.22 4.10 0.00 1.68 1.56 0.54 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 60 K 8.52 4.52 0.00 1.72 1.79 0.00 1.80 0.00 0.00 1.74 0.00 0.00 3.03 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.53 1.36 7.81 61 E 7.63 4.63 0.00 1.98 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 2.12 2.26 0.00 62 H 8.73 4.40 0.00 3.03 3.26 0.00 5.66 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 C 9.04 5.07 0.00 2.74 2.87 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 0.00 0.00 0.00 64 E 9.03 5.00 0.00 1.87 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 2.23 2.23 0.00 65 V 9.01 4.61 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 0.64 0.00 0.00 0.72 0.00 0.00 66 I 8.40 4.33 1.72 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.90 0.78 0.00 0.00 67 L 7.81 4.51 0.00 0.91 0.43 0.17 0.65 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 68 S 8.98 5.33 0.00 3.70 3.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 T 8.45 5.16 4.45 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 1.69 0.00 0.00 70 D 8.77 5.55 0.00 3.12 2.80 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 0.00 0.00 0.00 71 S 8.02 4.30 0.00 4.06 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 72 Q 8.79 3.88 0.00 2.24 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.69 0.00 0.00 0.00 0.00 0.00 2.41 2.39 0.00 73 Y 8.06 4.28 0.00 3.21 3.27 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 74 V 8.17 3.74 2.29 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 1.23 0.00 0.00 1.07 0.00 0.00 75 R 7.54 2.00 0.00 0.77 1.40 0.00 2.54 0.00 0.00 2.65 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.60 0.50 0.00 76 Q 7.75 3.17 0.00 1.29 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.59 0.00 0.00 0.00 0.00 0.00 2.30 2.32 0.00 77 G 7.36 2.93 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 78 I 7.29 3.53 1.48 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.07 0.36 0.00 0.00 79 T 7.30 3.93 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 1.01 0.00 0.00 80 Q 7.11 4.09 0.00 1.68 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.49 6.97 0.00 0.00 0.00 0.00 0.00 1.56 1.34 0.00 81 W 6.95 3.66 0.00 1.78 1.74 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 82 I 7.33 3.48 1.82 0.00 0.00 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 1.63 1.51 0.78 0.00 0.00 83 H 7.83 4.13 0.00 3.07 3.18 0.00 5.70 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 N 7.83 4.15 0.00 2.58 2.65 0.00 0.00 7.12 7.95 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 85 W 8.11 4.17 0.00 2.80 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 0.00 0.00 0.00 86 K 7.62 3.27 0.00 1.76 1.79 0.00 2.18 0.00 0.00 1.72 0.00 0.00 3.06 0.00 0.00 3.29 0.00 0.00 0.00 0.00 1.39 1.44 7.81 87 A 7.61 3.94 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 88 R 7.49 4.52 0.00 1.78 1.91 0.00 3.43 0.00 0.00 3.17 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.70 0.00 89 G 9.14 4.21 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 0.00 90 W 8.34 3.39 0.00 3.40 3.22 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 91 K 7.73 4.83 0.00 1.82 1.65 0.00 1.81 0.00 0.00 1.72 0.00 0.00 3.03 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.39 1.71 7.81 92 T 8.35 4.40 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 1.20 0.00 0.00 93 A 8.67 4.36 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 *98 V 7.75 3.65 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.20 0.00 0.00 0.67 0.00 0.00 99 K 8.32 4.00 0.00 1.82 1.81 0.00 1.94 0.00 0.00 1.86 0.00 0.00 2.98 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.56 1.48 7.81 100 N 8.96 4.58 0.00 3.18 2.87 0.00 0.00 6.86 7.68 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 0.00 101 V 7.23 3.59 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 0.74 0.00 0.00 0.60 0.00 0.00 102 D 8.00 4.19 0.00 2.80 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 0.00 103 L 7.71 3.90 0.00 1.61 1.53 0.78 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 104 W 8.10 4.40 0.00 3.44 3.50 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 0.00 105 Q 7.97 3.73 0.00 1.70 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.81 0.00 0.00 0.00 0.00 0.00 1.16 1.16 0.00 106 R 7.72 3.87 0.00 1.92 2.00 0.00 3.05 0.00 0.00 3.03 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.60 0.00 107 L 8.38 4.01 0.00 1.84 1.99 1.10 1.12 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 0.00 108 D 8.83 4.53 0.00 3.29 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 0.00 109 A 8.09 4.05 1.43 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 0.00 0.00 0.00 0.00 0.00 0.00 110 A 8.00 4.14 1.43 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 0.00 0.00 0.00 0.00 0.00 0.00 111 L 8.49 4.16 0.00 2.14 2.20 1.13 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 112 G 7.82 3.87 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 0.00 0.00 0.00 0.00 0.00 0.00 113 Q 7.94 4.37 0.00 2.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.88 6.66 0.00 0.00 0.00 0.00 0.00 2.54 2.52 0.00 114 H 7.25 5.05 0.00 2.88 3.26 0.00 5.64 0.00 0.00 0.00 0.00 6.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 Q 8.78 4.45 0.00 1.99 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.75 0.00 0.00 0.00 0.00 0.00 2.31 2.32 0.00 116 I 8.35 4.62 1.75 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.81 -0.21 0.00 0.00 117 K 9.04 4.37 0.00 1.69 1.52 0.00 1.57 0.00 0.00 1.57 0.00 0.00 2.81 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.23 1.34 7.81 118 W 8.64 4.41 0.00 2.79 1.74 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 0.00 119 E 8.63 4.31 0.00 1.69 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 2.12 2.09 0.00 120 W 8.52 5.23 0.00 3.20 3.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 V 8.63 4.48 1.78 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 0.79 0.00 0.00 1.03 0.00 0.00 122 K 8.42 4.62 0.00 1.90 1.71 0.00 1.55 0.00 0.00 1.99 0.00 0.00 3.11 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.43 1.42 7.81 123 G 8.61 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 A 7.59 3.57 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 0.00 125 A 9.82 3.61 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 0.00 126 G 8.84 4.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 127 H 7.77 4.89 0.00 3.25 3.26 0.00 5.84 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 P 0.00 4.19 0.00 2.04 2.06 0.00 3.53 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 2.07 2.16 0.00 129 E 7.77 3.74 0.00 1.16 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 2.00 0.00 130 N 7.94 4.49 0.00 2.98 2.95 0.00 0.00 7.17 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 0.00 131 E 8.16 4.00 0.00 2.21 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 2.36 2.52 0.00 132 R 8.06 3.92 0.00 1.98 1.96 0.00 3.07 0.00 0.00 3.08 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.74 0.00 133 C 7.91 4.21 0.00 3.25 3.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 134 D 8.29 4.46 0.00 2.97 2.91 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 0.00 135 E 8.51 3.97 0.00 2.19 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 2.33 2.43 0.00 136 L 8.29 3.98 0.00 1.89 1.73 0.96 0.98 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 0.00 137 A 8.41 4.01 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 0.00 138 R 8.09 3.89 0.00 1.80 2.01 0.00 3.18 0.00 0.00 3.24 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.84 0.00 139 A 8.13 4.09 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 0.00 140 A 8.10 3.87 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 0.00 141 A 7.96 4.16 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 0.00 142 M 7.61 4.26 0.00 1.96 2.25 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 2.63 2.96 0.00 143 N 7.82 5.03 0.00 2.62 2.66 0.00 0.00 6.97 7.33 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 0.00 144 P 0.00 4.35 0.00 2.18 2.13 0.00 3.68 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 1.96 1.95 0.00 145 T 8.14 4.51 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 1.19 0.00 0.00 146 L 7.72 4.68 0.00 0.84 1.33 0.64 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 147 E 8.45 4.99 0.00 2.12 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 2.26 2.25 0.00 148 D 8.65 4.77 0.00 2.67 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 0.00 149 T 8.30 3.92 4.29 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 1.23 0.00 0.00 150 G 8.02 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 151 Y 8.10 4.20 0.00 3.09 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 0.00 152 Q 7.64 4.16 0.00 1.82 1.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.76 0.00 0.00 0.00 0.00 0.00 2.11 2.17 0.00 153 V 8.17 3.50 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 0.73 0.00 0.00 0.87 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.