NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 N 4.7120 8.4249 118.1199 53.2435 41.3481 175.0215 5 R 4.0049 7.5258 117.5471 57.7332 31.8502 172.8927 6 E 4.3485 8.5717 121.0725 56.7268 30.5421 175.7967 7 A 4.7478 8.4044 127.9093 50.1480 22.8998 174.5491 *9 T 4.4197 8.2616 104.5654 62.1733 70.6572 173.1900 10 V 5.0962 8.2687 113.4847 59.7332 35.9649 175.6253 11 G 4.2001 8.9670 109.7144 44.8371 0.0000 171.9147 12 V 5.1409 8.5223 117.8774 59.7384 34.6974 174.6784 13 D 4.7821 8.9473 122.1840 52.7164 45.0277 173.5584 14 L 5.1751 8.6460 126.6276 53.2298 45.0128 175.3251 15 V 4.5144 9.0940 126.0393 61.1207 34.5457 174.0635 16 H 4.2019 9.0412 128.1313 55.8019 29.8883 175.5881 17 I 3.7837 8.2274 129.6172 63.9175 36.9220 176.5890 18 P 4.2846 0.0000 0.0000 65.5459 31.1527 178.8354 19 G 3.6575 8.0275 103.8766 47.7266 0.0000 175.2543 20 F 4.1729 8.4382 123.2112 60.9518 39.3620 176.9490 21 A 3.9157 8.9185 121.2073 55.2753 17.8882 179.2199 22 E 3.8272 8.2664 117.7143 59.4951 29.4367 179.1242 23 Q 3.8954 7.7719 117.3824 58.6382 28.8465 177.9885 24 L 4.0642 7.8206 121.1149 57.6915 42.2576 178.3542 25 S 4.4392 7.9170 111.2655 57.5930 63.9941 174.4063 26 R 3.8930 7.2157 124.5750 55.5761 30.3720 173.7895 27 P 4.2290 0.0000 0.0000 64.6694 31.6049 176.6949 28 G 3.9558 8.9063 111.2074 45.2630 0.0000 173.6362 29 S 4.2494 7.9349 114.9520 58.6002 63.0800 173.6269 30 T 4.8788 8.1732 114.9351 60.2481 69.2670 175.6363 31 F 4.3598 8.2784 127.5253 62.0177 38.6405 176.5623 32 E 4.0951 8.2916 116.6635 59.3316 28.9089 178.7780 33 Q 4.1410 7.8506 118.1585 58.7614 28.9061 178.7622 34 V 3.8379 7.8729 112.8880 61.9572 31.5671 175.4434 35 F 5.1351 7.3053 118.3471 55.6459 40.4632 176.6108 36 S 4.4643 9.1652 120.6683 57.4557 64.8842 173.5875 37 P 4.2418 0.0000 0.0000 65.8726 30.9438 178.4933 38 L 3.9451 7.9573 118.2175 58.4130 42.0362 178.7395 39 E 4.0314 8.0878 117.9425 59.5509 29.5093 179.6884 40 R 3.9205 8.1358 118.4449 58.9945 29.9742 179.2794 41 R 3.9297 8.0661 116.1351 59.5080 29.5755 178.3152 42 H 4.0597 8.5080 119.0434 58.8664 29.7520 176.9879 43 A 3.7915 8.1716 122.5618 55.0884 17.9330 179.3520 44 Q 3.8729 7.5937 115.1540 59.6358 28.9873 179.2976 45 T 3.7995 7.1840 111.7641 63.2419 67.0126 173.4725 46 R 4.7958 8.4562 122.8911 58.4622 28.7175 175.7203 47 R 3.8172 7.7724 110.8600 57.1434 28.3010 175.9455 *59 A 4.2546 7.5137 121.6569 52.1910 19.3049 176.5659 60 G 3.9481 7.9988 101.0962 43.9996 0.0000 174.0328 61 S 3.7293 7.8028 115.2391 58.0725 62.2265 173.2271 62 R 3.2494 7.2034 113.9921 58.5672 31.8822 179.0075 63 T 3.9226 7.5791 113.5985 67.0863 68.6656 176.5673 64 E 3.8407 8.1481 119.9347 59.5847 29.5937 178.7339 65 H 4.1037 8.1049 117.5603 59.3815 29.9105 177.0471 66 L 3.6817 8.3021 120.8259 57.6230 41.3940 179.1497 67 A 2.6833 7.9245 120.8725 54.9528 18.1631 180.0123 68 G 3.5510 7.6851 103.5670 47.8978 0.0000 176.2254 69 R 4.0571 7.9042 120.0401 58.7452 30.1019 178.9256 70 W 4.4180 8.7886 128.3348 60.4887 30.6691 177.6703 71 A 4.1315 8.4562 121.8563 54.4741 17.7167 179.4568 72 A 3.9465 8.0760 118.9668 55.2274 18.5143 179.8425 73 K 4.0026 7.9759 116.9541 59.9739 32.1848 179.4574 74 E 3.8887 7.7925 118.3572 59.2185 29.2002 179.3085 75 A 3.9920 8.3066 121.2668 54.9085 18.3391 179.5143 76 F 4.1270 8.5273 119.3011 61.5151 39.4845 177.1101 77 I 3.5305 7.9019 119.4609 64.4725 36.8902 178.3395 78 K 3.8466 8.1355 118.6248 59.4944 31.7180 179.0941 79 A 3.9937 7.8182 119.5148 54.9060 18.6693 179.2500 80 W 4.1636 8.1130 126.9770 60.7921 30.6547 178.0391 81 S 3.8724 8.1279 115.4936 62.0723 62.3591 177.0427 82 Q 4.1113 8.5309 120.4091 58.9210 28.1922 178.7708 83 A 4.3349 8.1089 122.2773 53.1712 18.7718 177.7800 84 I 4.4670 7.4666 111.7025 59.8612 38.2015 175.0477 85 Y 4.1833 7.5537 121.2533 60.7743 38.9164 176.5549 86 G 3.8172 8.3697 114.5372 45.0369 0.0000 172.9849 87 K 4.6245 7.3949 118.0657 53.3056 35.0690 174.2753 88 P 4.3628 0.0000 0.0000 61.6265 31.9964 174.5545 89 P 3.9818 0.0000 0.0000 63.1378 31.8297 176.8927 90 V 3.6066 8.0725 122.5246 65.2697 31.7359 176.1106 91 I 4.3291 6.9411 119.2281 58.6906 39.3057 174.8046 92 E 3.7781 8.8318 125.6262 56.2042 30.0166 175.4272 93 P 4.1967 0.0000 0.0000 66.0836 31.4937 177.8851 94 D 4.5812 8.0597 115.0225 55.9374 40.9952 176.7253 95 L 4.5005 8.0780 117.9481 54.2338 42.5492 177.0747 96 V 3.3777 7.0855 118.9190 63.1278 31.8645 175.2307 97 N 4.7288 8.5108 125.6610 52.3149 38.1703 175.2536 98 F 4.2033 8.8404 125.2645 59.7342 39.3618 177.4691 99 A 4.4815 7.9871 121.4995 53.4487 18.2346 177.8508 100 E 4.3041 8.3323 115.0613 57.0697 29.9735 175.9821 101 I 4.4433 7.3659 120.6009 59.3833 36.9716 173.2681 102 E 4.6037 8.8210 127.0838 54.8208 31.5594 174.6405 103 V 4.4793 9.0924 128.0038 61.9563 32.5230 174.7700 104 L 4.6978 9.3769 132.4493 52.8016 43.5537 173.5210 105 P 5.1821 0.0000 0.0000 61.9429 33.1923 175.9435 106 D 4.6886 8.7617 122.0558 52.2648 41.0551 176.9448 107 R 3.5155 8.2391 118.2056 58.5222 29.7645 177.0546 108 W 4.5594 8.6429 115.7958 56.2178 29.1692 176.8197 109 G 4.0030 8.3054 106.2802 45.4573 0.0000 174.4849 110 R 4.3334 8.0421 118.3822 56.1071 31.4509 175.8560 111 V 5.0128 8.3301 113.5123 59.7019 35.2167 174.9829 112 A 4.7720 8.5952 124.0782 50.0784 22.8702 175.2980 113 L 4.5592 8.5279 121.1583 54.6481 42.8567 176.5160 114 Q 4.4583 9.2956 122.7676 54.1501 31.6873 174.5745 115 L 5.0545 8.3906 124.3260 53.3900 43.8806 175.8251 116 K 4.4561 8.5441 120.4399 54.9441 36.8345 177.1488 117 G 3.9652 8.8079 108.0851 45.2498 0.0000 175.7276 118 E 3.9338 9.1119 119.9012 59.0881 29.4559 178.6713 119 V 3.7106 8.3137 118.1259 66.1805 31.6196 177.9287 120 A 3.7916 7.8749 119.9115 54.8934 18.1908 179.4479 121 A 3.9039 8.0603 119.2353 55.4759 18.5763 180.1360 122 K 4.1562 8.5390 117.1342 59.0152 32.1201 179.5576 123 L 3.3959 7.9611 121.4645 57.8137 41.8909 178.6947 124 Q 4.1622 7.9372 120.8516 58.7468 28.7771 178.1351 125 E 4.0211 7.9750 118.7614 59.3033 29.5770 179.2393 126 S 4.4299 8.0280 113.6007 60.7812 63.4480 175.0124 127 I 4.5046 7.7925 111.1336 59.2120 39.4277 176.2020 128 G 3.8489 8.1055 108.5633 44.4993 0.0000 172.2810 129 D 4.5166 8.4674 119.6974 54.7126 41.4063 175.7915 130 V 4.8748 8.0604 115.0957 59.5492 36.1033 174.2165 131 E 4.7319 9.0417 122.5271 54.4615 32.1921 174.5235 132 L 5.3529 8.6788 125.6477 52.9244 44.7905 175.6119 133 A 4.8585 9.0781 123.7860 50.1347 22.4555 174.7502 134 L 5.4085 8.3746 121.4054 52.6307 46.0087 175.3130 135 S 4.7873 8.3270 116.2907 57.3362 65.9894 172.7472 136 I 5.1783 8.2033 124.5015 59.8961 41.0680 174.5352 137 S 4.8233 9.0589 119.3395 57.2059 66.1357 172.5821 138 H 5.4238 8.3157 119.7057 54.2639 31.8600 171.9589 139 D 4.6539 9.2638 118.2934 54.4437 45.4676 177.1963 140 G 3.9181 8.3071 113.9029 47.4564 0.0000 173.8557 141 D 4.8253 8.9345 123.5806 53.6310 41.1731 174.4788 142 Y 5.3669 8.0526 115.8216 56.3353 42.6938 174.0979 143 A 5.4120 9.1521 123.6341 50.6509 22.8115 175.0635 144 T 5.2202 9.1284 113.5335 60.7384 71.6529 172.5224 145 A 5.2652 8.8884 126.5719 50.5067 23.3792 174.9800 146 L 5.3277 8.6668 118.4693 53.0322 45.9240 175.2369 147 C 5.2036 9.2408 123.7191 57.4795 34.4566 172.0087 148 L 5.2105 9.0248 128.4989 53.2019 44.2277 174.5542 149 L 5.2223 8.7781 127.7410 53.4077 44.6741 175.5279 150 R 5.1732 9.0595 125.4772 54.8196 33.4429 174.5663 151 Y 5.1299 8.6023 119.9405 56.4944 42.2245 172.9091 152 Q 4.7989 8.7702 118.4636 54.0835 30.8413 176.3589 153 R 4.4112 8.2178 119.3838 56.3422 29.4143 176.1898 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 N 8.42 4.71 0.00 2.69 2.82 0.00 0.00 6.98 6.78 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 5 R 7.53 4.00 0.00 1.79 1.94 0.00 3.27 0.00 0.00 3.33 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.66 0.00 6 E 8.57 4.35 0.00 1.80 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 2.26 2.29 0.00 7 A 8.40 4.75 0.53 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 0.00 0.00 *9 T 8.26 4.42 4.31 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 1.39 0.00 0.00 10 V 8.27 5.10 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 0.75 0.00 0.00 0.95 0.00 0.00 11 G 8.97 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 0.00 0.00 0.00 12 V 8.52 5.14 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 0.74 0.00 0.00 0.94 0.00 0.00 13 D 8.95 4.78 0.00 2.72 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 0.00 0.00 0.00 0.00 14 L 8.65 5.18 0.00 1.67 1.56 1.05 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 15 V 9.09 4.51 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 1.05 0.00 0.00 1.16 0.00 0.00 16 H 9.04 4.20 0.00 3.19 3.21 0.00 5.73 0.00 0.00 0.00 0.00 6.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 I 8.23 3.78 1.75 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 1.43 0.81 0.93 0.00 0.00 18 P 0.00 4.28 0.00 2.01 2.05 0.00 2.80 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 1.87 2.03 0.00 19 G 8.03 3.66 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 0.00 0.00 0.00 20 F 8.44 4.17 0.00 3.22 3.29 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 21 A 8.92 3.92 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 22 E 8.27 3.83 0.00 2.11 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 2.28 2.48 0.00 23 Q 7.77 3.90 0.00 2.09 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.08 6.74 0.00 0.00 0.00 0.00 0.00 2.21 2.36 0.00 24 L 7.82 4.06 0.00 0.94 1.49 0.67 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 25 S 7.92 4.44 0.00 4.01 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 26 R 7.22 3.89 0.00 2.09 1.80 0.00 3.08 0.00 0.00 3.13 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.57 0.00 27 P 0.00 4.23 0.00 2.06 2.00 0.00 3.73 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.10 0.00 28 G 8.91 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 S 7.93 4.25 0.00 3.83 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 30 T 8.17 4.88 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 1.27 0.00 0.00 31 F 8.28 4.36 0.00 2.80 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 32 E 8.29 4.10 0.00 2.26 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.39 0.00 33 Q 7.85 4.14 0.00 2.23 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 7.00 0.00 0.00 0.00 0.00 0.00 2.44 2.61 0.00 34 V 7.87 3.84 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 0.93 0.00 0.00 -0.44 0.00 0.00 35 F 7.31 5.14 0.00 3.21 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 36 S 9.17 4.46 0.00 4.10 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 0.00 37 P 0.00 4.24 0.00 2.20 2.19 0.00 3.65 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.20 0.00 38 L 7.96 3.95 0.00 1.73 1.88 0.92 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 39 E 8.09 4.03 0.00 2.45 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 2.44 2.45 0.00 40 R 8.14 3.92 0.00 1.90 1.97 0.00 3.23 0.00 0.00 3.26 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.97 0.00 41 R 8.07 3.93 0.00 2.05 2.19 0.00 2.78 0.00 0.00 3.10 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.65 0.00 42 H 8.51 4.06 0.00 3.25 3.37 0.00 5.79 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 43 A 8.17 3.79 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 44 Q 7.59 3.87 0.00 2.21 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.93 0.00 0.00 0.00 0.00 0.00 2.62 2.50 0.00 45 T 7.18 3.80 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 1.09 0.00 0.00 46 R 8.46 4.80 0.00 1.98 2.13 0.00 3.24 0.00 0.00 3.23 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.32 0.00 47 R 7.77 3.82 0.00 1.63 1.87 0.00 3.44 0.00 0.00 3.19 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.19 0.00 *59 A 7.51 4.25 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 60 G 8.00 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 61 S 7.80 3.73 0.00 4.32 4.16 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 62 R 7.20 3.25 0.00 1.82 1.90 0.00 3.08 0.00 0.00 3.20 7.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.66 0.00 63 T 7.58 3.92 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 64 E 8.15 3.84 0.00 1.90 1.70 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 2.33 2.44 0.00 65 H 8.10 4.10 0.00 3.34 3.49 0.00 5.87 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 66 L 8.30 3.68 0.00 1.95 1.74 0.40 0.65 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 67 A 7.92 2.68 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 68 G 7.69 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.90 4.06 0.00 2.28 2.40 0.00 3.16 0.00 0.00 2.99 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.79 0.00 70 W 8.79 4.42 0.00 3.53 3.18 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 0.00 71 A 8.46 4.13 1.42 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 72 A 8.08 3.95 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 73 K 7.98 4.00 0.00 1.79 2.16 0.00 1.96 0.00 0.00 1.97 0.00 0.00 3.29 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.79 1.87 7.81 74 E 7.79 3.89 0.00 1.94 1.85 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 1.47 1.48 0.00 75 A 8.31 3.99 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 76 F 8.53 4.13 0.00 3.11 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 77 I 7.90 3.53 2.07 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 1.94 0.93 0.88 0.00 0.00 78 K 8.14 3.85 0.00 1.94 1.85 0.00 1.78 0.00 0.00 1.65 0.00 0.00 2.98 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.44 1.63 7.81 79 A 7.82 3.99 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 80 W 8.11 4.16 0.00 2.62 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 81 S 8.13 3.87 0.00 3.92 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 82 Q 8.53 4.11 0.00 2.25 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.80 0.00 0.00 0.00 0.00 0.00 2.59 2.71 0.00 83 A 8.11 4.33 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 I 7.47 4.47 1.83 0.00 0.00 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.89 0.93 0.00 0.00 85 Y 7.55 4.18 0.00 3.09 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 86 G 8.37 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 0.00 0.00 0.00 87 K 7.39 4.62 0.00 1.69 1.66 0.00 1.73 0.00 0.00 1.76 0.00 0.00 2.89 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.35 1.32 7.81 88 P 0.00 4.36 0.00 2.11 1.99 0.00 3.74 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 1.93 1.94 0.00 89 P 0.00 3.98 0.00 1.92 1.84 0.00 3.58 0.00 0.00 3.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.94 0.00 90 V 8.07 3.61 1.77 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 0.98 0.00 0.00 0.89 0.00 0.00 91 I 6.94 4.33 1.72 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.85 0.87 0.00 0.00 92 E 8.83 3.78 0.00 2.00 1.84 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 2.37 2.39 0.00 93 P 0.00 4.20 0.00 2.21 2.11 0.00 3.59 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.04 0.00 94 D 8.06 4.58 0.00 2.69 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 95 L 8.08 4.50 0.00 1.71 1.70 0.94 0.89 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 96 V 7.09 3.38 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 -0.21 0.00 0.00 0.76 0.00 0.00 97 N 8.51 4.73 0.00 2.79 2.74 0.00 0.00 7.23 7.71 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 98 F 8.84 4.20 0.00 3.29 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 99 A 7.99 4.48 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.33 4.30 0.00 2.23 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 0.00 2.32 2.30 0.00 101 I 7.37 4.44 2.12 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 1.12 0.60 0.91 0.00 0.00 102 E 8.82 4.60 0.00 2.08 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 2.27 2.29 0.00 103 V 9.09 4.48 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 0.99 0.00 0.00 104 L 9.38 4.70 0.00 1.74 1.62 0.90 0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 105 P 0.00 5.18 0.00 2.01 1.93 0.00 3.73 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 1.76 1.45 0.00 106 D 8.76 4.69 0.00 3.04 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 0.00 107 R 8.24 3.52 0.00 1.12 0.66 0.00 2.76 0.00 0.00 2.36 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.96 0.00 108 W 8.64 4.56 0.00 3.49 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 0.00 109 G 8.31 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.04 4.33 0.00 1.82 1.91 0.00 3.32 0.00 0.00 3.67 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 1.64 0.00 111 V 8.33 5.01 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 0.80 0.00 0.00 0.96 0.00 0.00 112 A 8.60 4.77 1.19 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 0.00 0.00 113 L 8.53 4.56 0.00 1.42 1.35 0.93 0.79 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 0.00 114 Q 9.30 4.46 0.00 1.82 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.81 0.00 0.00 0.00 0.00 0.00 2.22 2.41 0.00 115 L 8.39 5.05 0.00 1.33 1.37 0.49 0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 116 K 8.54 4.46 0.00 1.76 1.84 0.00 1.46 0.00 0.00 1.65 0.00 0.00 2.80 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.48 1.38 7.81 117 G 8.81 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 0.00 118 E 9.11 3.93 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 2.45 2.41 0.00 119 V 8.31 3.71 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 1.05 0.00 0.00 120 A 7.87 3.79 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 0.00 121 A 8.06 3.90 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 0.00 122 K 8.54 4.16 0.00 2.17 2.23 0.00 1.77 0.00 0.00 1.81 0.00 0.00 2.93 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.62 1.71 7.81 123 L 7.96 3.40 0.00 0.63 1.42 -0.06 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 124 Q 7.94 4.16 0.00 2.23 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.59 0.00 0.00 0.00 0.00 0.00 2.34 2.29 0.00 125 E 7.98 4.02 0.00 2.06 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.52 0.00 126 S 8.03 4.43 0.00 4.22 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 0.00 127 I 7.79 4.50 1.56 0.00 0.00 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.57 0.84 0.00 0.00 128 G 8.11 3.85 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 0.00 0.00 0.00 129 D 8.47 4.52 0.00 2.70 2.63 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 0.00 130 V 8.06 4.87 2.22 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 0.71 0.00 0.00 0.91 0.00 0.00 131 E 9.04 4.73 0.00 2.08 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 2.20 2.30 0.00 132 L 8.68 5.35 0.00 1.52 1.56 0.79 0.93 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 0.00 133 A 9.08 4.86 1.21 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 0.00 134 L 8.37 5.41 0.00 1.62 1.51 1.04 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 135 S 8.33 4.79 0.00 3.92 3.64 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 0.00 136 I 8.20 5.18 1.90 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 1.26 0.81 0.94 0.00 0.00 137 S 9.06 4.82 0.00 3.86 3.64 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 0.00 138 H 8.32 5.42 0.00 3.30 3.22 0.00 5.81 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 0.00 139 D 9.26 4.65 0.00 2.74 2.54 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.31 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 141 D 8.93 4.83 0.00 2.61 2.33 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 0.00 142 Y 8.05 5.37 0.00 2.98 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 0.00 143 A 9.15 5.41 1.21 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 0.00 144 T 9.13 5.22 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 1.24 0.00 0.00 145 A 8.89 5.27 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 146 L 8.67 5.33 0.00 1.59 1.55 0.94 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 147 C 9.24 5.20 0.00 3.05 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 0.00 148 L 9.02 5.21 0.00 1.80 1.52 0.98 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 149 L 8.78 5.22 0.00 1.75 1.59 0.92 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 0.00 150 R 9.06 5.17 0.00 1.81 1.80 0.00 3.42 0.00 0.00 3.23 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.57 0.00 151 Y 8.60 5.13 0.00 3.08 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 0.00 152 Q 8.77 4.80 0.00 1.98 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.93 0.00 0.00 0.00 0.00 0.00 2.28 2.28 0.00 153 R 8.22 4.41 0.00 1.90 1.87 0.00 3.08 0.00 0.00 3.17 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.54 0.00 * Residues marked with a * may have inaccurate shift predictions.