NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 A 4.3311 8.2649 123.5762 52.0317 19.3225 176.6913 6 H 4.3090 8.6227 120.0664 53.3523 29.5479 173.2755 7 P 4.5091 0.0000 0.0000 62.9699 32.7160 176.0451 8 I 4.3573 8.1082 111.9701 61.0195 38.4274 174.9899 9 S 4.7069 7.4496 113.7249 57.7198 64.8736 173.8135 10 R 4.1362 8.6227 123.8876 57.2665 30.1946 175.7623 11 Y 4.4976 7.4639 114.2270 55.2491 40.3423 173.5494 12 P 4.3365 0.0000 0.0000 63.0041 31.8916 176.2217 13 V 4.3685 8.1327 120.9509 60.3032 33.3254 173.8326 14 P 4.6125 0.0000 0.0000 62.0368 32.5943 175.4037 15 E 4.2919 8.4071 118.4115 55.6512 30.4075 177.8172 16 L 3.9148 8.8384 123.0045 58.2294 41.3996 179.7354 17 A 3.9587 7.9758 118.6200 55.2704 18.4377 179.1343 18 A 4.0482 7.7674 117.8851 54.1405 18.6538 178.2632 19 L 4.1835 6.8221 116.2504 53.4405 42.6481 175.7303 20 P 4.3908 0.0000 0.0000 62.7002 33.2032 177.4088 21 D 4.3552 8.6078 120.0110 57.8226 40.8236 179.0529 22 D 4.4854 8.0573 118.9600 56.4006 39.3217 178.5468 23 I 3.6792 7.6066 120.6705 64.2844 37.2633 178.1689 24 R 3.7935 8.0965 119.7033 59.3751 29.8160 178.2836 25 Q 3.9516 8.5407 119.9073 59.1750 28.5302 178.2817 26 R 3.9154 8.2515 119.8653 59.3490 30.0537 178.6139 27 I 3.3476 7.9568 119.8966 64.1159 37.1075 178.3623 28 L 3.8731 8.2896 120.3015 57.5986 41.2867 178.8665 29 E 3.8784 8.0513 119.5856 59.5219 29.3898 179.4482 30 V 3.5246 7.2038 117.8971 64.3616 31.5790 177.8134 31 Q 4.0888 7.8711 121.7519 58.4687 28.5546 178.6868 32 D 4.2911 7.7717 118.1025 57.1989 40.9775 178.3987 33 K 4.0388 7.6036 118.7651 59.1883 32.3342 178.0407 34 A 4.3623 8.1804 119.4820 51.8729 19.4215 178.2607 35 G 3.9693 10.0528 105.2630 45.2575 0.0000 172.4771 36 F 4.8114 7.1272 113.0877 56.1115 40.4053 172.7143 37 V 4.2495 8.2547 120.5661 60.0644 32.5898 173.4637 38 P 5.0416 0.0000 0.0000 63.1093 32.0074 177.3460 39 N 4.6444 10.0462 119.8309 56.0171 38.3747 178.1018 40 V 3.3072 8.1655 120.7436 64.8246 30.7545 178.3427 41 F 4.3911 8.2024 118.3362 60.4276 38.6148 177.7270 42 L 4.1589 8.1556 117.0852 58.1005 42.0386 179.2339 43 T 4.1032 8.3180 109.9746 64.5325 68.8347 176.2460 44 L 4.2666 7.9766 119.9105 55.9615 41.6981 178.1100 45 A 4.2038 7.6089 119.1969 53.5370 18.3752 178.2643 46 H 4.4302 7.7938 115.9737 57.4904 31.0568 175.0619 47 R 4.4748 7.8331 120.3572 52.5216 30.4475 173.9100 48 P 4.2624 0.0000 0.0000 65.9695 31.5306 177.5547 49 D 4.5063 8.1634 116.6010 57.1505 40.6465 178.4741 50 E 4.1311 8.1866 118.8846 58.8419 29.6702 178.2843 51 F 4.3168 8.3850 120.8297 61.6739 39.4503 177.3174 52 R 4.2069 8.5583 117.0937 59.5864 29.9698 179.0392 53 A 4.1050 8.0589 120.0632 54.8245 18.3061 179.2880 54 F 4.0240 9.0252 120.2037 61.7882 39.3605 177.5508 55 F 4.0910 8.4130 117.1192 60.1600 38.6768 177.6060 56 A 4.0106 8.1255 120.6396 55.2866 17.9615 179.0827 57 Y 3.6239 7.7620 116.7193 60.9490 39.0340 177.0506 58 H 3.3002 7.7277 119.3797 59.3244 29.5996 176.8463 59 D 4.3554 8.1819 119.1485 57.3251 40.7575 178.3352 60 A 4.1023 7.7283 120.0768 54.4163 18.3029 178.5998 61 L 4.3848 7.0239 115.1220 55.0982 42.0840 177.4138 *63 L 4.3006 7.7103 118.5800 53.8188 43.5288 177.2792 64 K 4.1932 7.7748 117.4647 56.5002 33.2274 176.1234 65 D 4.5373 8.4270 120.2973 54.1828 41.5463 176.3491 66 G 4.0379 7.9785 110.5796 45.4195 0.0000 172.8885 67 G 3.9775 8.6595 106.2995 45.9761 0.0000 173.7667 68 L 4.8236 7.6290 120.0518 53.3274 43.5188 177.1059 69 T 4.1762 8.4425 113.3945 61.1641 71.0778 175.8078 70 K 3.8562 8.5935 121.7598 60.0053 31.7327 179.7191 71 G 3.9955 7.8058 105.4977 47.0934 0.0000 175.2724 72 E 4.1877 7.8679 119.8415 59.2117 29.8628 179.2299 73 R 4.1361 8.0920 118.1249 59.1348 30.1744 180.7623 74 E 4.2566 7.9611 117.9018 56.1771 29.5447 179.4507 *76 I 3.9472 7.7526 120.5320 61.4887 39.4740 178.3974 77 V 3.2879 7.3536 118.7655 65.8428 31.1537 178.2304 78 V 3.4557 7.8283 117.7867 65.9374 31.2630 177.9107 79 A 3.9316 7.7711 120.3010 55.2922 18.3956 179.5719 80 T 3.8043 7.9040 108.3774 64.9637 68.9166 177.2253 81 S 4.4637 8.4805 119.1617 60.6735 62.7163 176.4296 82 A 3.9444 8.1398 123.4036 55.0670 17.8845 179.3743 83 A 3.9329 7.4616 118.2043 55.0686 18.5037 178.6676 84 N 4.5923 7.7750 111.3378 51.9971 39.7220 175.1516 85 Q 3.1938 7.8431 118.9685 56.8255 26.9866 175.9248 86 C 4.6894 7.9751 119.5043 56.9216 32.1463 172.0575 87 L 3.9001 8.4116 130.0470 58.4656 41.6079 177.6654 88 Y 3.8982 8.0655 118.4720 61.2599 38.8598 177.9270 89 C 4.2351 8.1945 116.9569 62.4701 28.3622 176.1916 90 V 3.4449 7.9257 120.1489 65.9815 31.1051 178.2907 91 V 3.2168 7.3138 117.1152 65.6504 31.1209 177.8462 92 A 2.5800 7.3511 120.4328 55.0867 18.0647 179.3173 93 H 4.1724 7.7857 113.8239 57.8009 28.8642 178.2925 94 G 3.4816 7.8815 108.0822 47.6076 0.0000 175.5852 95 A 3.9889 7.5624 123.1745 55.0346 18.4517 179.8647 96 I 3.4494 7.3378 118.2782 64.1659 37.0108 178.5197 97 L 3.9949 8.1923 121.7273 58.2064 42.0489 179.2475 98 R 4.2011 7.8164 119.2184 58.8951 29.7048 178.8251 99 I 3.7304 7.4872 118.9910 64.4319 37.1951 176.9214 100 Y 4.6404 7.6777 117.2295 61.5027 38.0068 178.3028 101 E 4.1788 8.6896 118.1488 56.7709 29.9197 177.1836 102 K 3.9343 7.8990 116.7620 57.3213 29.9967 175.7729 103 K 4.4997 7.7681 117.4279 54.1227 34.1415 175.6557 104 P 4.4491 0.0000 0.0000 64.5538 31.7525 177.8946 105 L 4.3638 7.8227 117.7212 56.2768 42.7198 179.1267 106 V 3.8167 7.9893 118.8267 64.9574 31.1762 178.1340 107 A 4.1258 7.9862 121.0595 54.7488 18.1941 179.2452 108 D 4.2903 7.9952 117.0376 57.5014 40.9264 178.7745 109 Q 3.9642 7.8179 118.6677 59.0751 28.5604 178.9739 110 V 3.6660 8.1123 117.9307 66.0908 31.6055 177.6237 111 A 4.1250 7.9368 119.5148 54.3449 18.2718 179.1939 112 V 4.1113 7.5221 115.9490 64.1609 33.0007 175.9483 113 N 4.6092 8.1839 115.3280 52.9212 40.5718 173.9547 114 Y 4.2247 8.3491 122.9079 58.6686 38.4842 178.8968 115 L 3.5375 7.3015 119.6377 56.5317 41.8220 177.6500 116 K 4.4037 7.8392 116.4181 55.7577 32.5127 176.1971 117 A 4.3729 7.4001 122.3922 52.2914 19.0246 178.8127 118 D 4.7507 8.3574 121.6766 52.7153 39.3411 176.1796 119 I 4.7277 7.1995 113.3496 57.9296 41.3376 174.4322 120 P 4.5418 0.0000 0.0000 61.7366 32.2600 175.2402 121 P 4.2079 0.0000 0.0000 66.1758 30.8183 178.8656 122 R 3.8993 7.9358 116.1175 59.3600 30.1260 178.0588 123 Q 4.2769 8.1044 117.4012 58.4486 29.1371 177.8876 124 R 4.2362 8.0891 119.1493 59.4543 30.1128 179.3616 125 A 4.1128 7.9492 119.0945 52.6621 18.8509 179.1900 *127 L 4.0437 7.8957 121.8946 56.5259 43.7119 178.8944 128 D 4.4704 8.6939 117.3936 57.6516 40.9863 178.9437 129 F 4.1385 8.1971 120.3340 61.1934 39.4731 176.7292 130 A 3.7982 8.0557 119.8751 55.4645 18.1083 179.4468 131 L 3.8124 8.3095 117.2805 57.5358 41.5245 179.8098 132 K 3.8150 7.8343 119.8435 59.2636 31.9540 179.0493 133 V 3.4107 7.1074 116.9337 66.0337 31.3998 177.0512 134 C 4.1029 7.8130 117.9421 61.7975 31.6076 175.0062 135 K 4.3303 7.9956 118.9223 56.8265 32.9920 177.0316 136 A 4.7400 8.3140 124.1280 50.5119 19.5241 178.0653 137 S 3.9964 8.3022 117.9760 62.4193 63.2545 176.3792 138 H 4.2349 8.1705 115.2833 57.8570 28.3135 175.7857 139 E 4.1651 7.7149 118.0534 56.4209 29.8261 176.7825 140 V 3.7512 7.3672 120.0206 63.2742 32.1299 174.5859 141 N 5.2359 9.8448 123.6504 50.4631 40.7559 174.7345 142 E 4.2960 8.9252 116.0432 59.6731 29.3587 179.1998 143 A 4.1920 8.1927 120.3501 54.6088 18.2287 179.5166 144 D 4.2895 8.1203 117.6840 57.6921 40.9473 178.8638 145 F 3.9484 8.0975 117.7999 60.3842 39.0791 177.2226 146 E 4.0128 8.5376 118.9297 59.0716 29.1888 178.7003 147 A 4.0613 7.8126 120.0787 55.0753 18.7032 179.3397 148 L 4.1847 7.6612 117.4293 58.2316 41.8043 179.8942 149 R 4.4665 8.1058 119.2009 58.7818 29.7792 178.6253 150 E 4.1948 8.1054 116.2209 58.2897 29.5485 177.6999 151 H 4.7618 8.3718 115.3898 55.1725 29.4239 175.4100 152 G 3.8821 7.8558 109.2954 45.0561 0.0000 174.1087 153 F 4.5933 7.9675 118.6265 57.0476 40.3530 174.6169 154 T 4.6795 8.5361 113.0539 60.2895 72.3187 175.4873 155 D 4.5188 8.4845 120.7867 57.5277 40.8609 178.8906 156 E 4.0823 8.2025 118.8113 59.3051 29.3318 178.8930 157 D 4.4378 8.2446 119.0309 57.2575 40.8804 178.4837 158 A 3.7194 8.0228 121.1661 54.7955 18.3549 179.4506 159 W 4.1954 8.3513 126.4225 60.8485 30.8449 177.7063 160 D 4.6583 8.2943 118.7301 57.6551 40.3084 178.9630 161 I 3.6879 8.0754 119.7884 64.4587 37.1322 178.1001 162 A 3.9305 8.4327 121.2865 55.4390 18.2001 179.6040 163 A 3.9615 8.5971 119.4212 55.2014 18.3591 180.0305 164 I 3.8820 7.9576 118.4941 64.8628 37.2432 178.7678 165 T 3.8530 8.0944 116.3487 66.5582 68.3639 176.2739 166 A 3.8588 8.2468 122.9748 55.2263 18.3657 179.3264 167 F 3.5398 8.1480 118.3669 61.4200 39.4318 177.5469 168 F 3.6892 8.6968 117.3857 59.7569 38.5924 177.9197 169 G 3.4500 7.9576 106.0448 47.4132 0.0000 175.5764 170 L 3.7187 6.9928 121.2080 57.9019 42.2088 178.5324 171 S 4.1454 7.1326 111.5789 61.4313 62.4035 175.3964 172 N 4.5369 8.5955 119.4398 56.5033 38.3167 178.5013 173 R 3.9450 7.4999 115.1517 56.7385 29.7220 178.5303 *175 A 4.1461 7.9082 122.5770 52.4279 20.2498 179.7664 176 N 4.3880 8.6054 113.3765 56.8127 38.9351 177.9842 177 T 3.8780 8.0336 114.1648 66.4668 68.7078 175.3205 178 I 4.2112 7.8289 112.2037 59.9271 38.3868 174.2418 179 G 4.1213 7.3862 113.7289 44.8428 0.0000 173.3202 *181 R 4.2353 8.2314 119.2330 55.0427 30.9885 173.5901 182 P 4.6310 0.0000 0.0000 62.3176 32.2765 175.9878 183 N 4.6296 9.2021 118.6995 53.3628 39.5222 175.7378 184 D 4.4631 8.8672 121.5691 57.8002 41.2830 178.7272 185 E 3.7499 8.0454 118.1832 59.6892 29.0368 179.2938 186 F 4.4384 7.4255 115.8716 60.8158 38.9378 177.5154 187 F 4.4013 8.4866 116.4476 58.6053 39.8584 175.1717 188 L 4.4005 7.7065 121.4702 53.0968 40.9107 176.4477 *190 G 3.9465 8.1528 109.3631 44.5430 0.0000 171.2742 191 R 4.1784 7.9483 118.5724 56.5990 30.7825 176.5381 192 V 4.2542 7.5084 117.1802 59.9736 32.6456 173.3997 193 P 4.3830 0.0000 0.0000 63.4915 31.9241 177.2673 194 K 4.2301 8.4275 119.9664 54.8450 31.8587 177.5181 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 5 A 8.26 4.33 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 6 H 8.62 4.31 0.00 3.26 3.27 0.00 5.71 0.00 0.00 0.00 0.00 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 P 0.00 4.51 0.00 2.37 2.07 0.00 3.81 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.97 0.00 8 I 8.11 4.36 1.99 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.74 1.01 0.00 0.00 9 S 7.45 4.71 0.00 3.85 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 10 R 8.62 4.14 0.00 1.95 1.94 0.00 3.23 0.00 0.00 3.04 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.50 0.00 11 Y 7.46 4.50 0.00 2.90 2.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 P 0.00 4.34 0.00 2.15 2.06 0.00 3.65 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.12 0.00 13 V 8.13 4.37 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 0.91 0.00 0.00 1.03 0.00 0.00 14 P 0.00 4.61 0.00 2.21 2.05 0.00 4.03 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.16 0.00 15 E 8.41 4.29 0.00 2.02 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.27 0.00 16 L 8.84 3.91 0.00 1.67 1.73 0.90 0.69 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 17 A 7.98 3.96 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 18 A 7.77 4.05 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 L 6.82 4.18 0.00 1.62 1.48 0.78 1.20 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 20 P 0.00 4.39 0.00 2.25 1.97 0.00 3.50 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 21 D 8.61 4.36 0.00 2.76 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 22 D 8.06 4.49 0.00 2.93 2.96 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 23 I 7.61 3.68 1.81 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.52 0.09 0.00 0.00 24 R 8.10 3.79 0.00 1.92 2.01 0.00 3.07 0.00 0.00 3.07 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.70 0.00 25 Q 8.54 3.95 0.00 2.30 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.59 0.00 0.00 0.00 0.00 0.00 2.35 2.24 0.00 26 R 8.25 3.92 0.00 2.02 2.22 0.00 3.21 0.00 0.00 3.00 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.69 0.00 27 I 7.96 3.35 1.90 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.61 0.80 0.00 0.00 28 L 8.29 3.87 0.00 1.63 1.67 0.89 0.76 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 29 E 8.05 3.88 0.00 2.23 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 2.31 2.21 0.00 30 V 7.20 3.52 1.73 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 0.09 0.00 0.00 0.73 0.00 0.00 31 Q 7.87 4.09 0.00 2.13 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.86 0.00 0.00 0.00 0.00 0.00 2.33 2.29 0.00 32 D 7.77 4.29 0.00 2.81 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 33 K 7.60 4.04 0.00 1.94 1.79 0.00 1.90 0.00 0.00 1.71 0.00 0.00 2.96 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.45 1.33 7.81 34 A 8.18 4.36 0.95 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 0.00 0.00 35 G 10.05 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 36 F 7.13 4.81 0.00 3.14 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 37 V 8.25 4.25 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 0.89 0.00 0.00 0.87 0.00 0.00 38 P 0.00 5.04 0.00 2.81 2.70 0.00 3.74 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.32 0.00 39 N 10.05 4.64 0.00 3.23 3.04 0.00 0.00 6.68 8.19 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 40 V 8.17 3.31 1.68 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 0.83 0.00 0.00 0.58 0.00 0.00 41 F 8.20 4.39 0.00 3.28 3.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 L 8.16 4.16 0.00 1.87 1.82 1.03 0.92 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 43 T 8.32 4.10 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 1.31 0.00 0.00 44 L 7.98 4.27 0.00 1.87 1.71 -0.37 0.82 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 45 A 7.61 4.20 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 46 H 7.79 4.43 0.00 3.38 3.42 0.00 5.89 0.00 0.00 0.00 0.00 7.08 0.00 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0.00 0.00 55 F 8.41 4.09 0.00 3.04 3.09 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 0.00 0.00 0.00 0.00 56 A 8.13 4.01 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 57 Y 7.76 3.62 0.00 3.06 2.41 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 58 H 7.73 3.30 0.00 2.66 3.34 0.00 5.64 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 59 D 8.18 4.36 0.00 2.70 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 60 A 7.73 4.10 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 61 L 7.02 4.38 0.00 1.46 1.72 0.87 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 *63 L 7.71 4.30 0.00 1.80 1.79 1.00 1.01 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 64 K 7.77 4.19 0.00 1.84 1.97 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.07 6.68 0.00 0.00 0.00 0.00 0.00 2.49 2.42 0.00 124 R 8.09 4.24 0.00 1.97 2.12 0.00 3.54 0.00 0.00 3.27 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.82 0.00 125 A 7.95 4.11 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 *127 L 7.90 4.04 0.00 1.91 1.23 1.01 0.96 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 0.00 128 D 8.69 4.47 0.00 2.84 2.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 129 F 8.20 4.14 0.00 2.94 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 0.00 130 A 8.06 3.80 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 0.00 131 L 8.31 3.81 0.00 1.59 1.64 0.27 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 132 K 7.83 3.81 0.00 1.66 1.55 0.00 1.55 0.00 0.00 1.49 0.00 0.00 2.78 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.23 1.31 7.81 133 V 7.11 3.41 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 0.76 0.00 0.00 0.20 0.00 0.00 134 C 7.81 4.10 0.00 3.02 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 0.00 135 K 8.00 4.33 0.00 1.83 1.80 0.00 1.71 0.00 0.00 1.66 0.00 0.00 3.12 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.36 1.54 7.81 136 A 8.31 4.74 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 0.00 0.00 0.00 0.00 0.00 137 S 8.30 4.00 0.00 3.91 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 0.00 138 H 8.17 4.23 0.00 3.28 3.45 0.00 5.52 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 139 E 7.71 4.17 0.00 1.95 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 2.15 1.68 0.00 140 V 7.37 3.75 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 0.69 0.00 0.00 141 N 9.84 5.24 0.00 2.95 2.92 0.00 0.00 6.61 8.29 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 0.00 142 E 8.93 4.30 0.00 2.08 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.36 0.00 143 A 8.19 4.19 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 0.00 144 D 8.12 4.29 0.00 2.83 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 0.00 145 F 8.10 3.95 0.00 3.22 3.09 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 0.00 0.00 0.00 0.00 146 E 8.54 4.01 0.00 2.37 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.20 0.00 147 A 7.81 4.06 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 148 L 7.66 4.18 0.00 1.73 1.69 -0.26 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 149 R 8.11 4.47 0.00 2.06 2.04 0.00 3.17 0.00 0.00 3.47 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.82 0.00 150 E 8.11 4.19 0.00 2.15 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 2.50 2.50 0.00 151 H 8.37 4.76 0.00 3.49 3.41 0.00 5.62 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 152 G 7.86 3.88 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 0.00 153 F 7.97 4.59 0.00 3.12 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 0.00 154 T 8.54 4.68 4.28 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 1.24 0.00 0.00 155 D 8.48 4.52 0.00 2.72 2.77 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 0.00 156 E 8.20 4.08 0.00 1.98 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 2.36 2.27 0.00 157 D 8.24 4.44 0.00 3.07 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 0.00 158 A 8.02 3.72 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 0.00 159 W 8.35 4.20 0.00 3.66 3.26 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 0.00 160 D 8.29 4.66 0.00 3.10 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 0.00 161 I 8.08 3.69 2.20 0.00 0.00 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.94 1.02 0.00 0.00 162 A 8.43 3.93 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 0.00 163 A 8.60 3.96 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 0.00 0.00 0.00 0.00 0.00 164 I 7.96 3.88 2.10 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.85 0.97 0.00 0.00 165 T 8.09 3.85 4.32 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 1.18 0.00 0.00 166 A 8.25 3.86 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 0.00 167 F 8.15 3.54 0.00 2.62 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 0.00 168 F 8.70 3.69 0.00 3.28 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 0.00 169 G 7.96 3.45 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 0.00 170 L 6.99 3.72 0.00 1.36 1.35 0.74 0.77 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 0.00 171 S 7.13 4.15 0.00 3.41 3.76 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 0.00 172 N 8.60 4.54 0.00 2.89 2.85 0.00 0.00 7.08 8.20 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 0.00 173 R 7.50 3.94 0.00 1.89 1.88 0.00 3.08 0.00 0.00 3.11 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.68 0.00 *175 A 7.91 4.15 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 0.00 176 N 8.61 4.39 0.00 2.86 2.88 0.00 0.00 7.13 7.07 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 0.00 177 T 8.03 3.88 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 0.00 178 I 7.83 4.21 2.06 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 1.31 0.84 0.84 0.00 0.00 179 G 7.39 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 *181 R 8.23 4.24 0.00 1.93 2.05 0.00 3.43 0.00 0.00 3.37 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.75 0.00 182 P 0.00 4.63 0.00 2.20 1.72 0.00 4.03 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 2.26 2.14 0.00 183 N 9.20 4.63 0.00 2.55 2.73 0.00 0.00 7.11 8.08 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 0.00 184 D 8.87 4.46 0.00 2.68 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 0.00 185 E 8.05 3.75 0.00 1.16 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 2.05 0.00 186 F 7.43 4.44 0.00 2.98 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 0.00 187 F 8.49 4.40 0.00 3.07 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 0.00 188 L 7.71 4.40 0.00 1.74 1.57 0.95 0.92 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 *190 G 8.15 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 0.00 0.00 0.00 191 R 7.95 4.18 0.00 1.95 2.01 0.00 3.37 0.00 0.00 3.19 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.70 0.00 192 V 7.51 4.25 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 0.85 0.00 0.00 0.94 0.00 0.00 193 P 0.00 4.38 0.00 2.09 2.00 0.00 3.73 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.11 0.00 194 K 8.43 4.23 0.00 1.77 1.56 0.00 1.84 0.00 0.00 1.74 0.00 0.00 2.96 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.29 0.98 7.81 * Residues marked with a * may have inaccurate shift predictions.