NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 S 4.3842 8.3349 115.2893 58.4620 63.3792 173.2923 5 Q 4.2513 8.5725 124.8417 54.9943 29.5868 173.8227 6 A 4.2514 7.7320 123.3102 51.0429 20.4579 178.4717 7 L 3.8204 8.4775 124.6935 57.9292 42.2288 179.1096 8 S 4.3117 7.8882 111.5679 60.3307 62.9789 174.3235 9 D 4.5821 7.7269 119.6583 54.7377 41.5241 176.4493 10 D 4.4351 8.0600 119.9069 53.9703 41.7329 176.1366 11 I 3.8225 8.5445 128.2248 64.0931 38.0786 177.8368 12 G 3.5945 8.1885 106.1728 47.7065 0.0000 175.2056 13 F 4.1575 8.7424 123.4282 60.9531 39.3067 177.1857 14 L 3.8058 8.2078 118.4949 57.6961 41.4636 179.4205 15 L 3.9307 7.9677 118.8244 58.0095 41.5167 179.8775 16 S 4.0295 7.9141 114.8916 61.4047 62.5194 176.7783 17 R 3.5689 7.5877 120.4899 59.3721 29.8803 178.4467 18 V 3.6632 7.6663 117.0296 65.7243 31.7159 177.6243 19 G 3.9873 8.4794 106.1096 47.7545 0.0000 176.7982 20 G 3.8575 8.0541 107.0954 44.5804 0.0000 175.6704 *22 V 3.4111 7.7697 121.9204 62.2134 33.5284 177.0152 23 L 4.0431 8.1476 121.3549 58.1418 41.7599 179.1936 24 G 3.6042 8.2549 105.3676 47.9130 0.0000 175.5758 25 A 4.1097 7.9439 123.1841 54.7173 18.5173 179.7776 26 V 3.5495 8.2789 117.3344 66.0706 31.3716 178.0346 27 N 4.3893 8.2056 117.8790 56.8193 38.6347 177.7583 28 K 4.1088 8.0769 124.8396 59.8932 31.5904 180.9086 29 A 4.2465 7.8536 120.9416 54.5978 18.4981 179.0992 30 L 4.0978 7.9069 116.3904 55.9836 41.8365 179.0237 31 V 3.5601 7.4567 119.1154 65.9593 31.1419 176.1562 32 P 4.3233 0.0000 0.0000 65.3582 31.2246 177.9862 33 T 4.1984 7.9905 107.5583 62.2823 69.2129 176.0155 34 G 3.9713 8.0400 109.8468 45.2920 0.0000 173.7895 35 L 4.3513 7.4828 119.2672 54.2136 42.5844 176.1577 36 R 4.7781 8.1528 116.7497 53.7877 33.5171 176.7354 37 V 3.7058 8.8877 118.0757 66.4116 31.4279 178.1776 38 R 3.9706 7.9687 117.4009 59.2974 30.0470 179.0577 39 S 4.1898 8.0556 113.6905 61.3357 63.1855 175.5580 40 Y 4.1297 8.4762 123.5941 60.8423 38.5679 178.3963 41 S 3.9695 8.4432 116.2153 61.5294 62.8623 177.0025 42 V 3.5507 7.6667 120.5309 65.7480 31.1929 177.7799 43 L 3.8754 7.8358 120.1712 58.0450 41.9609 179.0968 44 V 3.3750 7.5530 118.1320 66.0486 31.2258 177.9299 45 L 3.9414 7.5814 116.9606 57.7891 41.8616 179.1576 46 A 4.1111 8.0409 120.7203 55.3428 18.1364 179.3620 47 C 4.2739 8.0738 113.9296 62.1923 28.2946 175.7040 48 E 4.0705 7.8674 119.2450 57.5881 29.3082 176.9308 49 Q 4.6551 6.8790 115.1302 53.4877 32.2545 175.4941 50 A 4.0382 8.7180 123.7849 54.7677 18.6288 177.6183 51 E 4.5899 7.7493 113.5399 54.1882 32.1362 176.3766 52 G 3.8109 8.5856 107.7040 47.1118 0.0000 173.5350 53 V 4.5175 8.9159 116.4134 59.1426 34.6035 175.3041 54 N 4.6830 8.5133 121.8706 53.4291 39.9190 175.8735 55 Q 4.0459 8.4401 128.1241 60.0398 29.1986 179.4885 56 R 4.1171 8.0546 121.3577 61.1964 29.3474 180.8735 57 G 3.7918 8.0030 105.0930 47.7370 0.0000 175.8563 58 V 3.5641 7.4594 119.0203 65.6571 31.9383 177.4204 59 A 4.1328 8.0089 120.2113 55.3158 17.9807 179.3752 60 A 3.9980 7.8119 117.4448 55.6170 18.5018 180.6848 61 T 4.2422 7.9213 110.3418 64.1873 68.3109 175.2090 *63 G 3.8067 7.8777 107.9282 45.2882 0.0000 173.1690 64 L 4.7716 7.4633 118.2919 51.8956 44.7131 176.1882 65 D 4.4748 8.3204 119.8743 53.5689 42.1322 175.1931 66 P 4.2588 0.0000 0.0000 66.1042 30.8789 178.9120 67 S 4.1748 8.0515 112.5108 61.6546 62.5278 176.7475 68 Q 3.9141 8.1984 121.6324 58.7781 28.3932 178.4494 69 I 3.7140 7.6597 120.4468 64.1913 37.0362 178.3203 70 V 3.6719 7.9010 119.3617 66.1298 31.3709 178.4263 71 G 3.5815 7.6564 105.0404 47.6804 0.0000 175.7517 72 L 4.0250 7.6747 121.4325 57.6413 41.6214 179.7654 73 V 3.6302 8.1376 118.5378 65.8658 31.4596 177.6139 74 D 4.3559 8.3734 119.0884 57.5139 40.7369 178.5444 75 E 3.9535 8.1240 119.4662 59.3191 29.5898 178.9384 76 L 4.0434 7.7427 118.5669 57.6942 41.6942 179.0504 77 E 4.3021 8.7599 121.0051 58.8806 29.3793 178.7469 78 E 4.0341 8.1905 117.4930 58.6862 29.5743 178.4553 79 R 4.4142 7.3528 115.3287 55.3451 30.4718 176.7919 80 G 3.9080 7.8822 106.8758 46.4538 0.0000 174.7036 81 L 4.5620 8.0695 121.2345 55.6237 43.1708 176.7913 82 V 4.9432 7.5376 110.5296 59.8465 36.8802 173.9182 83 V 4.6438 8.9530 121.4037 61.3046 34.9457 174.4286 84 R 5.0333 8.9898 127.0822 55.7535 30.8755 176.0312 85 T 4.8370 8.6305 113.9644 59.0846 72.3110 173.3469 86 L 4.3590 8.5131 124.1990 55.8176 41.3099 176.0661 87 D 4.3645 8.5929 123.2754 53.6455 40.8815 174.8770 88 P 4.3020 0.0000 0.0000 65.2553 31.4208 177.5411 89 S 4.6837 7.8041 111.6895 58.2517 64.1541 173.6544 90 D 4.1448 8.0515 123.9436 54.1289 46.2503 175.2899 *93 N 4.6800 8.4370 118.3338 53.1437 37.7158 173.5039 94 K 4.8566 8.1614 120.2282 53.5943 36.5519 174.2800 95 L 4.8761 9.4458 123.0206 53.5359 44.5140 175.8292 96 I 4.8728 8.8210 122.3079 59.7451 39.6509 174.4585 97 A 5.0065 8.6470 129.2418 49.5353 21.5664 175.3041 98 A 4.5618 8.6887 124.7451 52.2676 19.3887 177.3108 99 T 4.3196 8.4074 111.9178 60.4101 71.0490 175.6347 100 E 3.8882 8.7755 121.8208 59.2851 29.4816 178.3787 101 E 4.0343 8.2113 119.2460 59.0192 29.7158 178.6452 102 G 3.6931 8.1402 105.8595 48.1301 0.0000 175.8445 103 R 3.9438 8.2915 121.0482 58.7683 30.0345 179.4025 104 R 3.9209 8.1031 117.8909 59.2690 30.1162 178.8885 105 L 3.9825 7.9194 120.1043 57.9803 41.9988 178.7460 106 R 3.9965 8.3052 118.9896 59.7149 29.6844 178.1547 107 D 4.3757 8.1930 118.4409 57.3562 40.4296 178.3082 108 D 4.3220 8.1667 118.1710 57.4380 41.2318 178.0480 109 A 3.9350 8.6399 121.5630 55.1023 18.2421 179.4680 110 K 3.9738 8.7091 119.3002 58.9756 32.3883 178.8267 111 A 3.9823 7.7470 120.7978 55.2888 18.4276 179.8813 112 R 3.8329 7.6407 116.0415 59.2555 30.1356 179.4218 113 V 3.4063 7.8324 118.2590 66.1626 31.4683 177.8169 114 D 4.3449 8.3743 118.6211 57.1903 40.5433 178.7110 115 A 3.9759 7.9446 120.7999 55.0748 18.1820 179.5472 116 A 4.0140 7.6537 117.7751 55.6006 18.7493 179.2224 117 H 4.7351 8.4747 114.8889 59.2264 28.7929 177.9353 118 G 4.0104 8.5549 110.0168 48.9702 0.0000 176.3411 119 R 3.8911 7.7539 121.2647 61.2415 29.3970 179.9755 120 Y 4.2310 8.0571 115.6510 59.4670 38.4942 176.9654 121 F 4.7541 8.0109 116.1905 56.0423 40.1175 175.1275 122 E 4.2192 7.8971 120.9404 57.5461 29.7373 175.9949 123 G 4.1327 9.1026 114.2163 45.7048 0.0000 173.6484 124 I 4.1889 7.4878 120.7539 59.3093 38.1480 174.0612 125 P 4.3132 0.0000 0.0000 63.0830 32.0344 176.8056 126 D 4.3986 9.0076 122.4581 57.9068 40.6807 178.9810 127 T 3.8196 7.9568 112.8763 65.3322 67.0491 176.0579 128 V 3.5844 7.5437 118.6864 65.9364 31.6740 177.8609 129 V 3.7138 7.6838 116.2879 66.0622 31.7706 177.0391 130 N 4.4665 8.6065 116.5980 56.3007 38.3379 177.9220 131 Q 4.0584 7.9575 119.8801 56.2231 29.1468 177.9175 *133 R 4.1722 7.9806 119.5532 56.0155 32.1673 176.9444 134 D 4.5172 8.1460 117.5124 57.7445 40.2175 178.9584 135 T 3.8732 8.1044 116.2323 66.7773 68.4803 176.7776 136 L 4.0695 7.8876 120.3007 57.8241 41.6156 179.4766 137 Q 4.2840 8.4314 118.5670 58.9925 28.7149 178.8722 138 S 4.3191 8.3150 114.9956 60.7620 62.7017 176.3943 139 I 3.9868 7.0737 121.6313 63.7027 37.4974 177.5690 140 A 3.9880 8.2147 120.6688 53.5298 19.4779 177.7754 141 F 4.7894 8.0567 115.5901 54.3570 39.0513 172.7945 142 P 4.5115 0.0000 0.0000 62.9826 32.2508 177.5499 143 T 4.2227 8.4136 112.7679 61.0561 68.5263 173.5362 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 4 S 8.33 4.38 0.00 3.84 3.84 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 5 Q 8.57 4.25 0.00 2.12 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.59 6.77 0.00 0.00 0.00 0.00 0.00 2.26 2.35 0.00 6 A 7.73 4.25 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 7 L 8.48 3.82 0.00 1.47 1.29 0.71 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.32 0.00 0.00 0.00 0.00 0.00 0.00 8 S 7.89 4.31 0.00 4.06 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 9 D 7.73 4.58 0.00 2.85 2.76 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 0.00 0.00 0.00 10 D 8.06 4.44 0.00 2.75 2.81 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 11 I 8.54 3.82 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 1.59 1.08 0.93 0.00 0.00 12 G 8.19 3.59 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 0.00 0.00 0.00 13 F 8.74 4.16 0.00 3.16 3.28 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 14 L 8.21 3.81 0.00 1.93 1.70 1.06 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 15 L 7.97 3.93 0.00 1.79 1.68 0.92 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 16 S 7.91 4.03 0.00 3.74 3.82 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 17 R 7.59 3.57 0.00 0.75 1.42 0.00 3.16 0.00 0.00 2.92 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.49 0.00 18 V 7.67 3.66 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 0.75 0.00 0.00 0.85 0.00 0.00 19 G 8.48 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 20 G 8.05 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 *22 V 7.77 3.41 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 1.03 0.00 0.00 0.56 0.00 0.00 23 L 8.15 4.04 0.00 1.84 1.84 0.93 1.30 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 24 G 8.25 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 0.00 0.00 0.00 25 A 7.94 4.11 1.61 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 26 V 8.28 3.55 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 0.93 0.00 0.00 1.03 0.00 0.00 27 N 8.21 4.39 0.00 2.97 2.87 0.00 0.00 6.94 7.04 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 28 K 8.08 4.11 0.00 1.78 1.82 0.00 1.81 0.00 0.00 1.65 0.00 0.00 2.89 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.38 1.33 7.81 29 A 7.85 4.25 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 30 L 7.91 4.10 0.00 1.84 1.83 0.81 0.24 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 31 V 7.46 3.56 2.15 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 1.03 0.00 0.00 1.00 0.00 0.00 32 P 0.00 4.32 0.00 2.05 2.10 0.00 3.86 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 2.01 2.13 0.00 33 T 7.99 4.20 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 1.27 0.00 0.00 34 G 8.04 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 L 7.48 4.35 0.00 1.72 1.70 1.05 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 36 R 8.15 4.78 0.00 2.15 2.03 0.00 2.94 0.00 0.00 3.12 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.65 0.00 37 V 8.89 3.71 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 1.21 0.00 0.00 0.97 0.00 0.00 38 R 7.97 3.97 0.00 1.92 1.98 0.00 3.19 0.00 0.00 3.40 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.71 0.00 39 S 8.06 4.19 0.00 4.08 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 40 Y 8.48 4.13 0.00 3.04 3.28 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 41 S 8.44 3.97 0.00 4.03 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 42 V 7.67 3.55 2.20 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 0.98 0.00 0.00 0.94 0.00 0.00 43 L 7.84 3.88 0.00 1.88 1.76 0.91 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 44 V 7.55 3.37 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 0.84 0.00 0.00 0.11 0.00 0.00 45 L 7.58 3.94 0.00 1.78 1.69 0.92 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 46 A 8.04 4.11 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 C 8.07 4.27 0.00 3.03 2.98 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 48 E 7.87 4.07 0.00 2.09 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 2.30 2.56 0.00 49 Q 6.88 4.66 0.00 2.21 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.97 0.00 0.00 0.00 0.00 0.00 2.25 2.23 0.00 50 A 8.72 4.04 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 51 E 7.75 4.59 0.00 1.84 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 2.22 2.23 0.00 52 G 8.59 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 53 V 8.92 4.52 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 0.74 0.00 0.00 0.96 0.00 0.00 54 N 8.51 4.68 0.00 2.79 2.68 0.00 0.00 6.66 6.68 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 55 Q 8.44 4.05 0.00 2.22 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.73 6.57 0.00 0.00 0.00 0.00 0.00 2.35 2.37 0.00 56 R 8.05 4.12 0.00 1.86 1.93 0.00 3.30 0.00 0.00 3.34 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.27 0.00 57 G 8.00 3.79 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 0.00 0.00 0.00 58 V 7.46 3.56 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 0.84 0.00 0.00 1.01 0.00 0.00 59 A 8.01 4.13 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 60 A 7.81 4.00 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 61 T 7.92 4.24 4.41 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 1.41 0.00 0.00 *63 G 7.88 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 64 L 7.46 4.77 0.00 1.65 1.56 0.93 0.98 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 65 D 8.32 4.47 0.00 2.67 2.53 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.26 0.00 2.19 2.11 0.00 3.66 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.17 0.00 67 S 8.05 4.17 0.00 4.03 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 0.00 68 Q 8.20 3.91 0.00 2.32 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.83 0.00 0.00 0.00 0.00 0.00 2.38 2.39 0.00 69 I 7.66 3.71 2.02 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.04 0.91 0.00 0.00 70 V 7.90 3.67 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 1.10 0.00 0.00 0.99 0.00 0.00 71 G 7.66 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 L 7.67 4.02 0.00 1.80 1.73 0.93 0.86 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 73 V 8.14 3.63 2.20 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 1.03 0.00 0.00 0.97 0.00 0.00 74 D 8.37 4.36 0.00 2.93 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 75 E 8.12 3.95 0.00 2.07 2.16 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 2.32 2.36 0.00 76 L 7.74 4.04 0.00 1.89 1.70 0.98 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 77 E 8.76 4.30 0.00 2.03 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 2.31 2.21 0.00 78 E 8.19 4.03 0.00 2.00 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 2.35 2.51 0.00 79 R 7.35 4.41 0.00 2.04 1.97 0.00 3.26 0.00 0.00 3.24 7.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.77 0.00 80 G 7.88 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 0.00 0.00 0.00 81 L 8.07 4.56 0.00 1.70 1.72 0.94 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 82 V 7.54 4.94 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 0.73 0.00 0.00 0.95 0.00 0.00 83 V 8.95 4.64 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 0.98 0.00 0.00 0.93 0.00 0.00 84 R 8.99 5.03 0.00 1.75 1.85 0.00 3.15 0.00 0.00 3.27 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.57 0.00 85 T 8.63 4.84 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 1.21 0.00 0.00 86 L 8.51 4.36 0.00 1.65 1.73 0.92 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 87 D 8.59 4.36 0.00 2.77 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 88 P 0.00 4.30 0.00 2.07 2.11 0.00 3.71 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 2.03 2.12 0.00 89 S 7.80 4.68 0.00 3.89 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 90 D 8.05 4.14 0.00 2.52 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 0.00 0.00 0.00 *93 N 8.44 4.68 0.00 2.91 2.99 0.00 0.00 5.82 6.70 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 94 K 8.16 4.86 0.00 1.40 1.63 0.00 1.77 0.00 0.00 1.82 0.00 0.00 2.81 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.33 1.02 7.81 95 L 9.45 4.88 0.00 1.48 1.59 0.92 0.84 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 96 I 8.82 4.87 1.86 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 1.16 1.01 0.90 0.00 0.00 97 A 8.65 5.01 1.23 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 0.00 0.00 98 A 8.69 4.56 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 99 T 8.41 4.32 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 1.24 0.00 0.00 100 E 8.78 3.89 0.00 2.10 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 2.38 2.43 0.00 101 E 8.21 4.03 0.00 2.08 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 0.00 2.38 2.38 0.00 102 G 8.14 3.69 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 0.00 103 R 8.29 3.94 0.00 1.98 1.99 0.00 3.43 0.00 0.00 3.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.90 0.00 104 R 8.10 3.92 0.00 2.00 1.99 0.00 3.13 0.00 0.00 3.10 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.90 0.00 105 L 7.92 3.98 0.00 1.80 1.83 0.94 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 106 R 8.31 4.00 0.00 2.04 2.12 0.00 3.38 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.78 0.00 107 D 8.19 4.38 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 0.00 108 D 8.17 4.32 0.00 2.82 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 0.00 109 A 8.64 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 0.00 110 K 8.71 3.97 0.00 2.06 2.05 0.00 1.76 0.00 0.00 1.80 0.00 0.00 2.99 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.48 1.40 7.81 111 A 7.75 3.98 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 0.00 112 R 7.64 3.83 0.00 1.91 1.92 0.00 3.08 0.00 0.00 3.21 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.78 0.00 113 V 7.83 3.41 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 0.83 0.00 0.00 0.31 0.00 0.00 114 D 8.37 4.34 0.00 2.85 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 0.00 115 A 7.94 3.98 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 0.00 116 A 7.65 4.01 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 0.00 117 H 8.47 4.74 0.00 3.45 3.53 0.00 5.67 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 G 8.55 4.01 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 0.00 0.00 0.00 0.00 0.00 0.00 119 R 7.75 3.89 0.00 1.91 1.87 0.00 3.26 0.00 0.00 3.22 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.55 0.00 120 Y 8.06 4.23 0.00 2.81 2.45 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 0.00 121 F 8.01 4.75 0.00 3.20 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 0.00 122 E 7.90 4.22 0.00 2.07 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.29 0.00 123 G 9.10 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 0.00 0.00 0.00 0.00 124 I 7.49 4.19 2.14 0.00 0.00 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 1.36 0.66 1.00 0.00 0.00 125 P 0.00 4.31 0.00 2.19 2.01 0.00 3.65 0.00 0.00 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.15 0.00 126 D 9.01 4.40 0.00 2.69 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 0.00 127 T 7.96 3.82 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 1.22 0.00 0.00 128 V 7.54 3.58 2.27 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 0.89 0.00 0.00 0.95 0.00 0.00 129 V 7.68 3.71 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 0.66 0.00 0.00 1.08 0.00 0.00 130 N 8.61 4.47 0.00 2.96 2.85 0.00 0.00 6.71 7.59 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 0.00 131 Q 7.96 4.06 0.00 2.21 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.39 0.00 0.00 0.00 0.00 0.00 2.36 2.37 0.00 *133 R 7.98 4.17 0.00 1.83 2.07 0.00 3.20 0.00 0.00 3.31 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.64 0.00 134 D 8.15 4.52 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 0.00 135 T 8.10 3.87 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 1.22 0.00 0.00 136 L 7.89 4.07 0.00 1.83 1.73 0.92 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 137 Q 8.43 4.28 0.00 2.37 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.80 0.00 0.00 0.00 0.00 0.00 2.50 2.57 0.00 138 S 8.31 4.32 0.00 4.09 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 0.00 139 I 7.07 3.99 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 1.45 0.74 0.88 0.00 0.00 140 A 8.21 3.99 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 141 F 8.06 4.79 0.00 3.04 2.95 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 0.00 142 P 0.00 4.51 0.00 2.05 2.00 0.00 3.73 0.00 0.00 4.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.17 0.00 143 T 8.41 4.22 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 1.21 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.