NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4530 8.3049 120.6114 55.4612 33.7734 174.3608 2 I 4.2517 8.2776 126.8492 59.2099 39.0608 169.5782 3 V 4.4438 10.0415 130.2458 61.8561 33.2654 174.3566 4 S 5.4618 8.9556 124.8684 56.8062 66.0102 173.4348 5 F 5.5101 9.3747 123.5594 57.2813 40.4281 174.2804 6 M 5.5777 9.3420 124.0342 53.9294 33.9660 175.2018 7 V 4.6489 9.2873 125.3368 60.0583 35.4514 173.6044 8 A 5.3106 8.6426 124.3392 50.4692 21.2436 175.2808 9 M 5.6871 9.2743 119.2398 53.7577 35.6413 174.9818 10 D 4.8136 8.2745 118.4557 51.5172 42.2036 176.5129 11 E 4.0519 8.2817 117.1536 59.2965 29.2053 177.7027 12 N 4.9375 8.8856 115.7967 52.9595 39.2481 175.7838 13 R 4.4595 8.3764 115.5542 56.6841 28.4789 176.2287 14 V 3.6160 7.7027 119.2327 63.1415 31.7033 176.3274 15 I 4.6710 7.9176 118.7583 60.0650 38.7873 175.2251 16 G 3.7726 7.0951 107.7921 45.2259 0.0000 172.5210 17 K 4.7584 8.3089 121.0237 55.4677 35.3166 176.1567 18 D 4.4485 10.3033 129.3658 56.1970 38.9722 173.9563 19 N 4.2388 8.6307 108.8450 52.8710 35.1161 175.3566 20 N 4.7527 7.8002 115.6789 52.9595 43.3224 173.5221 21 L 3.7061 7.7858 118.9429 53.4006 42.1090 176.7569 22 P 4.0615 0.0000 0.0000 63.6443 31.5058 175.9054 23 W 4.8263 5.7881 113.6617 54.1640 30.7275 175.1652 24 R 4.4927 8.7381 118.2832 54.7785 30.8720 174.6642 25 L 4.8309 8.1476 125.7911 50.9594 42.5384 175.2752 26 P 4.2946 0.0000 0.0000 65.7804 31.5237 177.6716 27 S 4.2365 8.8660 111.9732 61.2518 62.3125 175.7197 28 E 4.7916 8.1883 123.1686 59.0871 29.3376 178.9421 29 L 4.1847 8.0570 118.4166 57.7955 41.6676 179.1228 30 Q 3.9700 8.2683 119.7878 59.1123 28.8629 177.6017 31 Y 3.9330 8.1268 120.8715 60.4675 38.8227 178.0187 32 V 3.3956 7.9355 119.2092 65.8433 31.4322 177.8704 33 K 3.7668 7.9485 118.1088 59.3300 32.4794 178.2919 34 K 3.9451 7.9871 119.8907 59.8907 31.8862 178.9687 35 T 3.7210 7.4490 115.2803 65.8892 68.6342 175.9501 36 T 3.7574 7.1708 109.6344 60.1704 68.8432 173.9173 37 M 4.0438 6.8090 121.7627 57.3592 32.3349 176.2028 38 G 3.8607 8.3349 113.8982 45.8988 0.0000 172.2502 39 H 5.1320 7.7410 114.4846 52.7436 32.7427 171.8982 40 P 4.5799 0.0000 0.0000 62.9008 32.8882 175.0841 41 L 4.9721 8.9119 124.0765 53.3236 43.7652 175.3932 42 I 4.8851 8.9701 125.9496 59.7749 39.1909 174.7410 43 M 5.1021 8.9816 124.1194 53.1339 35.0710 175.1423 44 G 3.9823 8.6878 109.9003 47.1407 0.0000 175.4818 45 R 4.1606 9.0293 125.7605 62.4940 29.3965 180.2630 46 K 3.9871 8.3299 123.4380 59.9496 30.9013 179.5674 47 N 4.3211 8.1627 116.2150 57.1670 39.0876 176.4769 48 Y 4.0889 8.2685 120.6365 60.7976 38.6716 177.8356 49 E 3.9037 8.4565 118.7649 59.0411 29.6066 178.8305 50 A 4.0389 7.9512 120.3686 54.8361 18.4295 179.1927 51 I 3.8536 7.0574 116.7121 61.8473 37.3700 176.4904 52 G 4.0780 7.7373 112.9756 45.7393 0.0000 174.1796 53 R 4.4814 7.3105 118.0833 54.1363 32.0801 175.2210 54 P 5.0318 0.0000 0.0000 62.5453 32.0829 173.2700 55 L 4.2618 8.3193 124.7191 52.6722 39.4163 173.5869 56 P 4.3681 0.0000 0.0000 63.2152 29.8217 175.6569 57 G 4.1188 9.7745 110.4377 44.2028 0.0000 172.7617 58 R 4.7980 7.2103 116.0240 53.9396 34.7175 175.3226 59 R 3.8678 8.7437 123.1440 57.1249 30.8779 177.1406 60 N 4.7699 8.2815 126.7988 51.5332 36.0828 170.4158 61 I 4.0224 8.2279 123.9599 61.2672 38.8356 175.9551 62 I 4.7095 8.6830 129.3342 59.9188 38.6887 174.9744 63 V 4.7202 8.7477 127.6610 61.6699 33.1395 174.3944 64 T 4.6534 8.6778 121.9434 60.7009 70.5809 174.7095 65 R 3.9655 8.7607 127.2031 58.9371 29.8662 176.4536 66 N 4.2683 7.1395 116.7262 55.8546 39.4703 173.8040 *74 C 4.3277 7.5246 117.2796 59.7143 30.0355 172.9533 75 E 4.5528 8.3985 120.2904 55.2719 31.7139 175.0400 76 V 4.8128 8.1849 120.6461 61.1033 34.1394 174.4720 77 A 4.8979 8.9945 128.9173 50.4132 22.3360 176.1001 78 H 5.6062 9.0791 114.6751 53.9359 30.2311 174.2595 79 S 4.4987 7.3331 113.6625 56.3404 66.1119 176.7148 80 V 3.1310 7.9232 123.8446 66.7054 31.1072 178.2798 81 E 4.0771 8.0917 117.4292 61.3985 29.4705 180.6406 82 E 4.1627 8.2477 119.5181 59.1124 29.4787 179.6190 83 V 3.5692 7.7593 118.2847 66.1904 31.4109 178.2285 84 F 4.6246 8.0754 116.5654 60.2823 38.7211 177.1793 85 E 4.1187 8.3590 118.7297 59.4203 29.6341 178.3510 86 L 4.1208 8.1437 117.9632 56.6997 41.9668 177.4856 87 C 4.6024 7.4285 114.3715 58.0632 30.1446 172.9557 *90 E 4.1427 8.4067 122.4874 57.1564 30.3425 176.7509 91 E 4.3765 8.5632 118.9786 58.7518 31.3524 175.7840 92 E 5.1881 7.8797 116.3123 55.5099 32.5526 174.5006 93 I 4.6832 8.7149 119.9282 59.0322 41.7521 174.4304 94 F 5.1517 8.6819 121.8673 55.6373 41.7569 174.9054 95 I 4.2245 9.4231 126.9012 61.4760 37.4140 176.5373 96 F 4.7455 9.5824 130.8714 57.8332 40.2934 174.5133 97 G 2.5100 7.8149 103.0636 44.3409 0.0000 171.9051 98 G 3.8282 8.9712 107.6637 46.1244 0.0000 173.7972 99 A 4.2598 9.0041 127.5701 55.7881 18.2889 179.2941 100 Q 4.0176 8.0546 115.5970 59.1043 28.7057 178.8420 101 I 3.8250 7.5632 120.4575 64.5041 37.1177 177.8292 102 Y 3.9907 7.8237 117.6469 61.2195 37.4562 178.4605 103 D 4.5155 7.9576 118.6033 57.4589 40.9939 178.5124 104 L 4.1413 8.0600 118.5506 57.1863 41.9334 178.6073 105 F 5.0293 8.1214 115.4348 57.2901 39.0388 177.1856 106 L 4.2592 8.1584 121.6847 58.2116 41.6540 176.9158 107 P 4.3040 0.0000 0.0000 64.0892 31.3516 176.2448 108 Y 4.8448 7.7043 113.7246 57.2279 39.3891 176.3280 109 V 4.0676 7.6600 120.4118 61.9181 31.9475 175.6136 110 D 5.1085 9.3678 122.0534 54.5573 43.5259 176.4067 111 K 5.0840 8.1084 118.6707 54.8852 36.3023 174.5506 112 L 4.9541 9.0146 126.8248 53.2973 44.5043 175.0506 113 Y 5.2157 9.7120 123.1054 56.5915 39.4762 174.3471 114 I 4.9341 9.2524 126.0745 59.6516 40.3829 174.9663 115 T 4.8708 9.3872 125.1592 62.5504 70.1803 174.0642 116 K 4.8177 9.0561 127.1982 54.9842 33.8312 175.6321 117 I 4.5451 8.5222 127.8067 60.0126 38.3273 176.5141 118 H 4.9338 8.9880 128.4627 53.9600 26.1984 173.9189 119 H 4.5023 7.6410 118.2995 55.3660 33.9056 173.0544 120 A 4.6684 7.7309 125.6548 50.5631 19.3644 176.5566 121 F 4.6016 9.1318 121.5437 56.6597 40.8361 175.3845 122 E 4.3913 8.8052 122.8632 55.4681 29.7691 175.4471 123 G 4.1653 8.4234 113.9865 44.1589 0.0000 171.1907 124 D 5.0531 8.7318 116.6021 52.8209 41.3381 175.1501 125 T 4.8790 7.3095 113.5890 60.6415 71.1671 172.2188 126 F 5.3931 8.7946 124.3891 55.4473 43.3176 174.2113 127 F 4.5110 9.4938 125.4122 57.3194 39.4613 173.6026 128 P 4.2570 0.0000 0.0000 62.4558 31.7832 176.1403 129 E 4.0883 8.4660 120.4536 57.3195 29.9980 176.6615 130 M 4.6814 8.0012 119.7065 53.6089 35.8214 174.9628 131 D 4.5365 8.6415 122.2305 54.2277 40.5663 176.4194 132 M 4.5381 8.5228 126.6367 56.7102 32.4458 178.6753 133 T 3.9461 8.1023 111.1411 64.4487 69.2391 175.5653 134 N 4.5860 8.0470 118.3761 52.2146 37.9673 179.8460 135 W 5.3418 8.2193 117.4455 55.5561 32.5414 174.5878 136 K 4.7756 9.4179 122.5590 54.4506 34.6894 174.6959 137 E 4.2840 9.1409 128.9179 56.5048 29.5692 176.3798 138 V 4.4150 8.4871 119.6487 61.6523 33.8092 175.7815 139 F 5.0451 7.7537 121.8345 56.9506 42.7116 173.1026 140 V 4.7148 6.9629 123.2609 60.3176 34.6494 173.8858 141 E 4.4620 8.6131 122.3383 54.7570 33.5538 173.9322 142 K 3.2892 8.4929 128.9968 55.7507 32.7028 176.8118 143 G 2.7348 7.5909 115.2996 45.2301 0.0000 172.8415 144 L 4.1267 8.1001 122.5485 54.5725 42.3431 176.0724 145 T 4.8351 8.0825 123.4670 62.0124 70.2450 173.5748 146 D 4.7424 8.3314 125.4839 53.0500 42.1857 174.2421 147 E 4.0747 9.1167 117.6902 60.1899 29.3697 178.6315 148 K 4.2744 8.0500 114.8084 57.7547 32.9287 177.0277 149 N 5.0293 8.1070 116.5834 50.3849 38.9303 172.9883 150 P 4.2112 0.0000 0.0000 65.2242 32.0100 177.1609 151 Y 4.4832 7.4311 113.8142 57.7487 39.0119 174.5936 152 T 4.7126 8.6830 118.3256 62.4882 70.3056 173.5840 153 Y 5.2926 7.6451 121.9457 56.3485 41.6407 172.8762 154 Y 4.6083 8.6757 117.3704 56.3563 42.6602 174.1948 155 Y 4.6784 8.4559 122.4444 58.0112 39.4497 174.2857 156 H 5.2857 9.6103 121.2290 53.8820 32.8684 172.7426 157 V 4.8687 8.5877 121.8580 61.3215 34.3265 173.8866 158 Y 5.4389 9.3340 124.6561 56.4286 42.0501 174.3094 159 E 5.4800 9.4889 120.5412 54.1090 34.5973 175.2114 160 K 3.6138 8.8253 122.6284 57.5344 32.5473 177.7650 161 Q 4.2007 8.4631 128.0076 56.2305 28.7006 174.6697 162 Q 4.2195 8.5147 122.1322 53.4961 29.1843 173.7765 163 L 4.1082 8.2618 122.0707 53.8603 42.3066 176.8810 164 V 4.0452 8.1207 123.8125 60.5106 31.3561 173.7554 165 P 4.3463 0.0000 0.0000 63.3761 31.9280 177.6352 166 R 4.2019 8.3595 117.6619 56.5135 29.4626 177.3061 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 4.45 0.00 2.02 2.20 0.00 0.00 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.61 0.00 2 I 8.28 4.25 1.95 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 1.14 0.75 0.99 0.00 0.00 3 V 10.04 4.44 2.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 1.22 0.00 0.00 4 S 8.96 5.46 0.00 3.29 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 F 9.37 5.51 0.00 3.04 3.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 M 9.34 5.58 0.00 2.41 2.26 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.70 2.78 0.00 7 V 9.29 4.65 1.62 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 -0.03 0.00 0.00 0.57 0.00 0.00 8 A 8.64 5.31 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 9 M 9.27 5.69 0.00 1.99 2.19 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.22 0.00 10 D 8.27 4.81 0.00 3.29 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 11 E 8.28 4.05 0.00 2.00 2.05 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 2.31 2.56 0.00 12 N 8.89 4.94 0.00 2.94 2.94 0.00 0.00 6.90 7.86 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 13 R 8.38 4.46 0.00 2.41 2.47 0.00 3.21 0.00 0.00 3.50 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.68 0.00 14 V 7.70 3.62 2.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.00 0.00 0.83 0.00 0.00 15 I 7.92 4.67 1.94 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.85 1.10 0.00 0.00 16 G 7.10 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 17 K 8.31 4.76 0.00 1.78 1.44 0.00 1.84 0.00 0.00 1.83 0.00 0.00 3.09 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.29 1.34 7.81 18 D 10.30 4.45 0.00 2.70 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 19 N 8.63 4.24 0.00 2.91 2.79 0.00 0.00 6.74 7.99 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 20 N 7.80 4.75 0.00 2.56 2.52 0.00 0.00 7.07 6.34 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 21 L 7.79 3.71 0.00 1.17 0.18 0.74 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 22 P 0.00 4.06 0.00 1.43 2.00 0.00 2.20 0.00 0.00 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.73 0.00 23 W 5.79 4.83 0.00 3.37 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 0.00 0.00 0.00 0.00 24 R 8.74 4.49 0.00 1.77 1.93 0.00 3.18 0.00 0.00 3.23 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.62 0.00 25 L 8.15 4.83 0.00 1.60 1.27 0.02 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 26 P 0.00 4.29 0.00 2.20 2.16 0.00 3.96 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 2.16 2.20 0.00 27 S 8.87 4.24 0.00 4.01 4.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 E 8.19 4.79 0.00 1.90 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 2.59 2.22 0.00 29 L 8.06 4.18 0.00 1.95 1.78 0.95 1.11 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 30 Q 8.27 3.97 0.00 2.41 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.81 0.00 0.00 0.00 0.00 0.00 2.40 2.43 0.00 31 Y 8.13 3.93 0.00 2.90 3.20 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 32 V 7.94 3.40 2.39 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 1.09 0.00 0.00 1.22 0.00 0.00 33 K 7.95 3.77 0.00 1.73 1.93 0.00 1.83 0.00 0.00 1.60 0.00 0.00 2.94 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.38 1.37 7.81 34 K 7.99 3.95 0.00 1.76 1.72 0.00 1.64 0.00 0.00 1.57 0.00 0.00 2.91 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.27 1.39 7.81 35 T 7.45 3.72 3.51 0.00 0.00 0.00 0.00 0.00 0.00 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 36 T 7.17 3.76 3.78 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 0.00 0.00 0.18 0.00 0.00 37 M 6.81 4.04 0.00 2.03 2.05 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.42 0.00 38 G 8.33 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 0.00 0.00 0.00 39 H 7.74 5.13 0.00 3.39 3.53 0.00 5.86 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 40 P 0.00 4.58 0.00 2.10 1.97 0.00 3.89 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.24 0.00 41 L 8.91 4.97 0.00 1.41 1.32 0.36 0.17 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 42 I 8.97 4.89 1.65 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.06 0.72 0.00 0.00 43 M 8.98 5.10 0.00 2.24 2.22 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.57 0.00 44 G 8.69 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 R 9.03 4.16 0.00 1.83 1.96 0.00 3.29 0.00 0.00 3.37 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.27 0.00 46 K 8.33 3.99 0.00 1.75 1.81 0.00 1.80 0.00 0.00 1.74 0.00 0.00 2.84 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.46 1.10 7.81 47 N 8.16 4.32 0.00 2.80 3.05 0.00 0.00 6.61 7.56 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 48 Y 8.27 4.09 0.00 3.15 3.16 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 49 E 8.46 3.90 0.00 2.13 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 2.43 2.52 0.00 50 A 7.95 4.04 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 I 7.06 3.85 1.78 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.76 0.85 0.00 0.00 52 G 7.74 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 53 R 7.31 4.48 0.00 1.82 1.74 0.00 3.25 0.00 0.00 3.26 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.16 0.00 54 P 0.00 5.03 0.00 2.07 1.84 0.00 3.71 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.56 0.00 55 L 8.32 4.26 0.00 1.57 1.62 0.92 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 56 P 0.00 4.37 0.00 2.08 1.89 0.00 3.67 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 1.94 1.60 0.00 57 G 9.77 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 58 R 7.21 4.80 0.00 1.56 1.79 0.00 3.23 0.00 0.00 3.05 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.55 0.00 59 R 8.74 3.87 0.00 1.75 1.86 0.00 3.10 0.00 0.00 3.50 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.62 0.00 60 N 8.28 4.77 0.00 2.50 2.63 0.00 0.00 6.97 7.72 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 61 I 8.23 4.02 1.83 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 1.19 0.51 0.87 0.00 0.00 62 I 8.68 4.71 1.69 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.62 0.82 0.00 0.00 63 V 8.75 4.72 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 0.95 0.00 0.00 1.00 0.00 0.00 64 T 8.68 4.65 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 1.24 0.00 0.00 65 R 8.76 3.97 0.00 1.82 1.95 0.00 3.29 0.00 0.00 3.16 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.62 0.00 66 N 7.14 4.27 0.00 2.74 2.70 0.00 0.00 7.17 7.56 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 *74 C 7.52 4.33 0.00 2.71 2.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 E 8.40 4.55 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 2.31 2.25 0.00 76 V 8.18 4.81 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 0.64 0.00 0.00 0.83 0.00 0.00 77 A 8.99 4.90 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 78 H 9.08 5.61 0.00 3.06 3.29 0.00 5.85 0.00 0.00 0.00 0.00 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0.00 0.00 0.00 0.00 87 C 7.43 4.60 0.00 3.08 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 *90 E 8.41 4.14 0.00 2.11 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 2.25 2.30 0.00 91 E 8.56 4.38 0.00 1.66 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 2.29 1.87 0.00 92 E 7.88 5.19 0.00 1.83 1.56 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 1.47 2.12 0.00 93 I 8.71 4.68 1.86 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 1.07 0.95 0.00 0.00 94 F 8.68 5.15 0.00 3.08 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 95 I 9.42 4.22 2.02 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.18 0.63 0.00 0.00 96 F 9.58 4.75 0.00 2.83 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 97 G 7.81 2.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.97 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 A 9.00 4.26 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 0.00 100 Q 8.05 4.02 0.00 2.12 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.85 0.00 0.00 0.00 0.00 0.00 2.47 2.48 0.00 101 I 7.56 3.83 1.85 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 1.58 1.08 0.95 0.00 0.00 102 Y 7.82 3.99 0.00 3.13 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 0.00 103 D 7.96 4.52 0.00 2.93 2.79 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 0.00 0.00 0.00 104 L 8.06 4.14 0.00 1.81 1.40 0.88 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 105 F 8.12 5.03 0.00 3.44 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 0.00 106 L 8.16 4.26 0.00 2.23 1.81 1.09 1.45 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 0.00 107 P 0.00 4.30 0.00 0.80 1.72 0.00 3.71 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 1.80 2.04 0.00 108 Y 7.70 4.84 0.00 3.41 3.16 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 0.00 109 V 7.66 4.07 1.56 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 0.79 0.00 0.00 0.25 0.00 0.00 110 D 9.37 5.11 0.00 2.60 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 0.00 111 K 8.11 5.08 0.00 1.92 1.78 0.00 1.76 0.00 0.00 2.04 0.00 0.00 2.61 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.24 1.62 7.81 112 L 9.01 4.95 0.00 1.51 1.42 -0.54 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 113 Y 9.71 5.22 0.00 3.26 3.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 I 9.25 4.93 2.07 0.00 0.00 0.65 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 0.95 0.80 0.00 0.00 115 T 9.39 4.87 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 1.15 0.00 0.00 116 K 9.06 4.82 0.00 1.81 1.78 0.00 1.52 0.00 0.00 1.60 0.00 0.00 2.78 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.38 1.46 7.81 117 I 8.52 4.55 1.45 0.00 0.00 -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 0.71 0.30 0.71 0.00 0.00 118 H 8.99 4.93 0.00 3.17 3.31 0.00 5.71 0.00 0.00 0.00 0.00 7.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 119 H 7.64 4.50 0.00 3.09 2.60 0.00 5.82 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 A 7.73 4.67 1.13 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 0.00 0.00 121 F 9.13 4.60 0.00 3.11 3.08 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 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1.89 1.82 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.44 0.00 131 D 8.64 4.54 0.00 2.79 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 0.00 132 M 8.52 4.54 0.00 2.07 2.09 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.56 0.00 133 T 8.10 3.95 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 0.00 134 N 8.05 4.59 0.00 2.68 2.84 0.00 0.00 6.62 7.62 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 0.00 135 W 8.22 5.34 0.00 3.30 3.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 136 K 9.42 4.78 0.00 1.81 1.84 0.00 1.66 0.00 0.00 1.62 0.00 0.00 2.84 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.39 1.40 7.81 137 E 9.14 4.28 0.00 1.93 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.03 0.00 138 V 8.49 4.41 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 0.79 0.00 0.00 0.97 0.00 0.00 139 F 7.75 5.05 0.00 3.08 2.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 140 V 6.96 4.71 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 0.53 0.00 0.00 0.78 0.00 0.00 141 E 8.61 4.46 0.00 1.79 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 2.22 2.23 0.00 142 K 8.49 3.29 0.00 1.39 1.35 0.00 1.62 0.00 0.00 1.47 0.00 0.00 2.47 0.00 0.00 2.77 0.00 0.00 0.00 0.00 0.76 0.21 7.81 143 G 7.59 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 0.00 0.00 0.00 144 L 8.10 4.13 0.00 1.60 1.67 0.91 0.99 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 0.00 145 T 8.08 4.84 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 1.30 0.00 0.00 146 D 8.33 4.74 0.00 2.73 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 0.00 147 E 9.12 4.07 0.00 1.96 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.40 0.00 148 K 8.05 4.27 0.00 1.77 1.89 0.00 1.70 0.00 0.00 1.73 0.00 0.00 3.01 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.44 1.47 7.81 149 N 8.11 5.03 0.00 2.93 2.85 0.00 0.00 6.85 7.63 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 0.00 150 P 0.00 4.21 0.00 1.17 1.80 0.00 3.67 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 2.00 0.00 151 Y 7.43 4.48 0.00 3.04 2.94 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 0.00 152 T 8.68 4.71 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 1.19 0.00 0.00 153 Y 7.65 5.29 0.00 2.91 2.78 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 0.00 0.00 0.00 154 Y 8.68 4.61 0.00 2.81 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 0.00 155 Y 8.46 4.68 0.00 2.87 2.60 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 0.00 156 H 9.61 5.29 0.00 3.32 2.85 0.00 5.55 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 157 V 8.59 4.87 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 0.64 0.00 0.00 1.08 0.00 0.00 158 Y 9.33 5.44 0.00 2.74 3.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 159 E 9.49 5.48 0.00 1.96 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 2.32 2.34 0.00 160 K 8.83 3.61 0.00 1.46 1.45 0.00 1.06 0.00 0.00 0.61 0.00 0.00 2.54 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.37 1.20 7.81 161 Q 8.46 4.20 0.00 1.84 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.85 0.00 0.00 0.00 0.00 0.00 2.31 2.19 0.00 162 Q 8.51 4.22 0.00 2.07 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.91 0.00 0.00 0.00 0.00 0.00 2.27 1.95 0.00 163 L 8.26 4.11 0.00 1.59 1.60 0.87 0.82 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 0.00 164 V 8.12 4.05 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.00 0.00 0.92 0.00 0.00 165 P 0.00 4.35 0.00 2.07 1.96 0.00 3.71 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.07 0.00 166 R 8.36 4.20 0.00 1.82 1.69 0.00 3.30 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.18 0.00 * Residues marked with a * may have inaccurate shift predictions.