NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.8228 8.5298 117.5826 55.4215 32.5879 173.9009 2 Q 4.3102 8.3944 115.9754 52.7504 31.8485 172.7144 3 D 4.8558 8.7532 121.2363 51.2700 43.1489 177.3426 4 A 3.8197 8.1084 120.1968 55.9096 18.0575 180.1569 5 I 3.5054 7.1602 117.4120 64.6844 37.3741 178.7403 6 T 3.9307 8.8228 110.2031 64.0683 68.4763 176.4543 7 A 3.9459 7.9524 124.4402 55.0211 18.4577 179.7937 8 V 3.5338 7.4547 116.6242 66.1926 31.7147 178.0928 9 I 3.6583 7.6455 119.5329 64.8265 36.8789 178.2579 10 N 4.5690 8.3114 116.9278 56.1590 38.0884 177.0789 11 N 4.3984 7.9927 117.6195 56.3571 39.2729 176.0610 12 Y 4.1080 8.1479 117.8984 60.3034 38.3426 176.9177 13 D 4.3763 8.6685 119.3627 57.9171 40.9997 179.2057 14 V 3.6488 7.5217 110.9685 63.7162 31.5923 177.5331 15 Q 4.3793 7.9502 115.1852 54.5806 29.2270 175.3589 16 G 4.0281 7.9858 108.3802 46.3215 0.0000 173.5253 17 K 4.6482 7.7613 117.7531 54.2019 33.7812 176.8687 18 Y 4.2055 8.7306 120.7605 57.7537 38.5119 176.0875 19 L 3.9037 8.5039 122.8014 54.8016 42.4173 176.5713 20 D 5.1470 8.3684 122.8737 51.3160 42.4849 176.5798 21 G 3.6459 8.7943 104.0851 48.2543 0.0000 175.5132 22 A 4.0265 8.1458 122.3894 54.7532 18.5119 179.3336 23 A 3.8262 8.2289 119.0859 55.4840 18.5859 179.9192 24 L 4.0120 8.1424 117.5224 57.9391 41.5950 179.7120 25 D 4.4006 8.1752 119.0727 57.1160 40.7264 178.6698 26 K 3.9533 7.9579 118.8320 59.7136 32.0489 179.3733 27 L 3.9766 7.9698 119.0574 57.4557 41.4044 179.4591 28 K 4.1418 8.1648 119.0317 59.7145 31.9937 178.6576 29 A 3.9972 7.9131 119.4959 55.1101 18.4204 178.8738 30 Y 4.0264 7.7481 117.8519 60.9375 39.0468 177.5766 31 F 4.2057 8.2913 118.8755 60.9648 38.8052 177.6043 32 T 4.0139 8.2633 112.0008 64.2594 67.2713 175.2890 33 T 4.4384 7.6287 110.2799 61.5508 69.2538 176.6586 34 G 3.3976 7.6072 109.8929 48.0717 0.0000 175.6804 35 A 4.0336 7.9353 123.0415 54.8695 18.3888 179.7597 36 V 3.5846 7.6807 116.2694 66.0107 31.6512 178.3155 37 R 3.9206 7.7084 117.9667 59.1228 29.8942 179.1228 38 V 3.5552 7.5875 117.5249 66.1924 31.5186 178.0792 39 R 3.9284 7.8856 117.2044 59.4719 29.9337 178.9353 40 A 4.0415 8.0946 120.1164 55.0888 18.2785 179.5811 41 A 4.0013 8.1654 119.2068 55.1460 18.5177 179.7335 42 A 4.0827 7.8847 120.4278 54.3522 18.3268 180.1703 43 V 3.5189 7.6603 116.6749 66.1970 31.6421 178.2308 44 I 3.7063 7.7715 119.7252 64.3706 36.6601 178.2300 45 S 4.1390 8.3620 115.5981 61.8203 62.4837 176.5849 46 S 4.3451 7.8817 115.3672 59.2433 63.2021 174.6356 47 N 4.9154 7.3625 118.4889 53.8284 39.5035 176.8184 48 A 3.7181 8.2077 122.1197 54.9246 18.9466 179.5004 49 T 3.8141 7.8560 110.2261 65.4967 67.6391 176.7321 50 T 3.9896 7.8710 117.1658 66.4097 68.4205 176.7924 51 I 3.7563 7.9606 122.0684 64.2212 37.1642 178.4613 52 I 3.6898 7.7129 120.5579 64.2517 36.9994 178.0658 53 K 3.8333 8.0190 120.4076 60.0258 32.0906 178.5567 54 E 4.0531 8.4596 118.2889 59.1476 29.3763 179.2036 55 A 4.0005 8.3760 121.0863 54.9475 18.4420 179.5913 56 A 3.8691 8.6119 119.5162 55.2741 18.2622 179.7223 57 A 4.0972 7.8383 118.2066 55.0177 18.5016 179.2266 58 K 4.2095 7.9399 116.3957 57.8898 32.5535 177.0897 59 A 4.7012 7.8860 117.8680 51.3528 20.1558 175.2191 60 L 4.5124 8.0991 113.4063 55.9100 44.2406 178.2421 61 I 3.8365 7.2324 111.2270 61.1143 38.7515 174.4125 62 Y 3.7283 8.0603 114.4776 58.6184 34.6844 169.1680 63 S 4.6193 7.5377 111.0563 57.3020 66.4213 174.1116 64 D 4.5189 8.6383 120.7026 57.0135 40.9033 179.0361 65 L 3.9817 8.1355 119.4356 57.8297 41.6387 178.5693 66 T 4.4489 7.4680 104.2085 62.0035 69.5757 174.8274 67 R 4.4439 7.5419 122.0580 53.8942 31.7554 173.8518 68 P 3.0470 0.0000 0.0000 64.3965 31.4653 176.9750 69 G 4.0384 8.9643 111.2539 45.1713 0.0000 174.6071 70 G 4.4688 8.2965 114.4354 45.0755 0.0000 175.3222 *72 M 4.1577 8.5138 121.9382 54.7834 32.5299 175.0233 73 Y 4.3687 7.7349 120.1910 59.1687 39.7875 174.7715 74 T 3.1397 7.4796 115.4450 62.1883 69.1331 172.9315 75 T 3.7571 8.1918 114.3343 64.7095 68.6948 176.4552 76 R 3.8439 7.9083 121.0983 59.7250 30.1207 178.5457 77 R 4.0390 7.7670 117.4603 58.8881 30.1689 178.3624 78 Y 3.8790 8.2723 119.5397 60.6169 38.7878 177.9898 79 A 4.0845 8.3565 121.5285 55.1682 18.4544 179.5107 80 A 3.9338 7.9334 119.2879 55.2374 18.4069 179.5271 81 C 4.0089 8.1165 117.5708 62.5409 31.7241 175.7136 82 I 3.8311 7.6365 114.0645 63.0700 37.4473 178.1141 83 R 3.6236 7.8390 121.2163 59.3524 29.9128 177.9480 84 D 4.0022 7.9480 118.5409 57.6370 40.8662 178.4397 85 M 4.3215 8.0258 119.0513 58.9458 32.0141 178.3860 86 D 4.3480 8.0160 117.6611 57.4551 41.2875 177.7205 87 Y 4.4788 7.3698 116.7145 61.3508 37.8587 178.4766 88 F 4.4702 7.8589 118.3039 60.8317 39.1986 177.3218 89 L 4.1252 8.3325 119.5988 58.4765 41.9475 179.1434 90 R 3.5846 8.1521 118.3342 59.5879 30.0271 178.1418 91 Y 3.7453 8.4481 116.7412 60.8377 37.7985 177.9417 92 A 3.9853 8.3523 122.1330 55.5738 18.2733 179.8775 93 T 3.7836 7.6852 114.0340 66.7184 68.3821 176.5359 94 Y 4.1930 7.4718 118.2842 61.0841 37.9300 178.2513 95 A 3.8113 8.3832 121.8637 55.5501 18.1688 179.3859 96 M 3.5281 7.5300 115.2784 58.4474 32.3271 178.1403 97 L 4.1554 7.6693 118.1721 57.8544 42.1080 179.1843 98 A 4.0680 8.4766 120.9531 52.5712 18.0602 178.0247 99 G 4.3048 8.2153 104.9161 45.6184 0.0000 173.2118 100 D 4.6435 7.5725 117.1622 52.2021 44.2792 173.0298 101 P 4.3420 0.0000 0.0000 63.3613 32.2369 177.8808 102 S 4.0548 8.0051 115.8114 62.0155 62.5462 176.3422 103 I 3.7093 7.6699 121.3926 63.7697 37.6761 177.7008 104 L 4.0732 8.0141 119.9507 57.4270 41.2122 179.2338 105 D 4.3871 7.8914 118.6964 57.2489 41.0933 178.1977 106 E 3.9561 8.2689 119.8213 58.5219 29.5150 178.0154 107 R 4.5204 7.7356 113.8772 55.8293 31.6632 175.6334 108 V 3.9583 7.4112 114.8896 64.3543 33.4258 176.5695 109 L 3.9990 8.3326 119.9120 57.1577 41.7218 176.1911 110 N 4.3078 7.5428 117.4253 55.4466 38.7195 174.9284 111 G 3.9497 8.8705 114.6225 45.8284 0.0000 174.2094 112 L 3.7185 8.1184 122.1587 57.5994 41.9767 178.3881 113 K 3.8097 7.9307 119.2536 59.8470 32.0019 178.4064 114 E 4.0639 8.0608 118.0191 59.3708 29.6536 178.9825 115 T 3.9085 7.9996 115.9685 67.0898 68.5429 176.1717 116 Y 4.4531 8.2404 118.5151 61.1945 37.9905 177.9658 117 N 4.4018 8.4605 117.4937 56.6513 38.4272 177.6437 118 S 4.2617 8.3839 115.8571 60.9901 63.0224 175.9338 119 L 4.4130 7.9048 119.8146 54.9263 41.8566 177.8396 120 G 3.9191 7.5157 105.7568 44.8179 0.0000 173.6163 121 V 3.4350 7.5399 120.4120 61.6447 31.7257 174.3798 122 P 4.3456 0.0000 0.0000 62.7265 32.0111 177.0980 123 I 3.7938 8.3771 124.3244 64.3042 37.4228 178.1426 124 A 3.9976 8.0184 120.8939 55.2093 18.1955 179.3917 125 A 3.9836 7.9376 118.7162 55.4957 18.4633 179.8851 126 T 3.9020 7.6222 114.6701 66.5407 68.4973 177.1989 127 V 3.6115 7.9704 120.4300 66.0294 31.5505 178.3491 128 G 3.7807 8.0954 105.1906 47.7567 0.0000 175.9081 129 G 3.6726 7.9051 107.5567 47.3978 0.0000 176.1046 130 I 3.8648 7.5924 122.0764 64.5299 37.1987 178.3951 131 Q 4.1091 8.5253 118.1461 57.8564 28.4785 178.4329 132 A 4.0102 7.9303 122.6624 55.1366 18.6790 179.4020 133 M 3.9150 7.6457 116.7553 58.1721 31.9001 178.7407 134 K 2.8034 7.4669 119.6517 59.1493 32.1650 178.0039 135 E 3.8200 7.5965 119.5301 59.4896 29.5576 179.1221 136 V 3.5961 7.6340 117.7618 65.9586 31.6143 177.8585 137 V 3.6642 8.0585 118.5640 66.2495 31.0808 178.2973 138 G 3.7265 8.2260 104.2191 47.2717 0.0000 175.8377 139 G 3.7071 7.6943 106.7312 47.8950 0.0000 175.9680 140 L 3.9622 7.5457 120.5744 57.3544 41.7421 179.6986 141 V 3.9019 7.9482 110.8843 61.0135 32.1008 177.6229 142 G 4.0776 7.0944 103.9743 44.9824 0.0000 172.9081 143 P 4.1636 0.0000 0.0000 65.6992 31.0212 178.1206 144 D 4.3210 8.0941 115.4764 57.1470 41.1509 178.2472 145 A 4.6768 8.0047 117.4835 51.3656 20.2401 177.7957 146 A 3.9703 7.5012 119.9177 55.2215 18.0438 179.8455 147 K 3.9493 7.9951 117.4814 59.4709 32.1269 178.5643 148 E 4.0051 8.1444 118.2641 59.0343 29.8911 178.1263 149 A 4.3816 8.2264 120.8303 55.5221 18.5438 179.4872 150 S 4.2979 8.1966 113.9935 62.1161 62.8514 177.2053 151 I 3.6952 7.5223 114.8715 64.1699 37.0231 177.7257 152 Y 4.2011 7.7220 118.0919 60.1619 37.7971 177.9138 153 F 4.1557 8.2724 118.8560 60.6537 39.2078 177.2127 154 D 4.5582 8.2898 119.9170 56.6120 40.6617 178.2737 155 Y 3.8659 8.3276 120.6725 60.6427 38.9445 177.6971 156 L 4.0789 8.0630 120.2374 58.1304 41.2611 179.7488 157 S 4.2273 8.0018 113.4515 60.7572 63.0642 176.0121 158 S 4.4890 7.2053 116.9615 59.1215 63.1931 176.1581 159 G 3.5791 7.5590 108.8680 47.1506 0.0000 174.9292 160 L 4.2383 7.2042 119.8124 57.0982 41.9929 176.9400 161 S 4.2917 7.7472 117.7951 58.5071 62.9927 173.7346 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 8.53 4.82 0.00 2.10 2.11 0.00 0.00 0.00 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.43 0.00 2 Q 8.39 4.31 0.00 2.05 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.62 0.00 0.00 0.00 0.00 0.00 2.20 2.45 0.00 3 D 8.75 4.86 0.00 2.79 2.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 A 8.11 3.82 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 I 7.16 3.51 1.75 0.00 0.00 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 1.29 0.29 0.83 0.00 0.00 6 T 8.82 3.93 4.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 7 A 7.95 3.95 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 8 V 7.45 3.53 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 0.81 0.00 0.00 0.95 0.00 0.00 9 I 7.65 3.66 1.83 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 1.46 0.48 0.89 0.00 0.00 10 N 8.31 4.57 0.00 2.74 2.86 0.00 0.00 6.73 6.45 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 11 N 7.99 4.40 0.00 2.87 3.19 0.00 0.00 7.21 8.86 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 12 Y 8.15 4.11 0.00 3.17 3.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 D 8.67 4.38 0.00 2.84 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 14 V 7.52 3.65 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 0.86 0.00 0.00 0.98 0.00 0.00 15 Q 7.95 4.38 0.00 2.01 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.86 0.00 0.00 0.00 0.00 0.00 2.23 2.42 0.00 16 G 7.99 4.03 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 0.00 0.00 0.00 0.00 0.00 0.00 17 K 7.76 4.65 0.00 1.86 1.97 0.00 1.48 0.00 0.00 1.51 0.00 0.00 2.99 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.43 1.51 7.81 18 Y 8.73 4.21 0.00 2.94 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 19 L 8.50 3.90 0.00 1.61 1.44 0.87 0.57 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 20 D 8.37 5.15 0.00 2.97 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 21 G 8.79 3.65 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 0.00 0.00 0.00 22 A 8.15 4.03 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 23 A 8.23 3.83 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 L 8.14 4.01 0.00 1.87 1.76 0.94 1.40 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 25 D 8.18 4.40 0.00 2.99 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 26 K 7.96 3.95 0.00 2.03 1.88 0.00 1.72 0.00 0.00 1.67 0.00 0.00 2.97 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.50 1.66 7.81 27 L 7.97 3.98 0.00 1.83 1.86 0.93 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 28 K 8.16 4.14 0.00 2.13 2.02 0.00 1.69 0.00 0.00 1.68 0.00 0.00 2.98 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.50 1.55 7.81 29 A 7.91 4.00 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 30 Y 7.75 4.03 0.00 2.99 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 31 F 8.29 4.21 0.00 3.22 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.26 4.01 4.44 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 1.28 0.00 0.00 33 T 7.63 4.44 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 1.23 0.00 0.00 34 G 7.61 3.40 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 0.00 35 A 7.94 4.03 1.32 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 0.00 0.00 0.00 36 V 7.68 3.58 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 1.10 0.00 0.00 0.97 0.00 0.00 37 R 7.71 3.92 0.00 2.03 1.99 0.00 3.08 0.00 0.00 3.43 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.78 0.00 38 V 7.59 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 1.05 0.00 0.00 0.96 0.00 0.00 39 R 7.89 3.93 0.00 1.94 1.99 0.00 3.19 0.00 0.00 3.18 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.85 0.00 40 A 8.09 4.04 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 41 A 8.17 4.00 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 42 A 7.88 4.08 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 43 V 7.66 3.52 2.25 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 1.04 0.00 0.00 1.00 0.00 0.00 44 I 7.77 3.71 1.91 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.60 0.98 0.00 0.00 45 S 8.36 4.14 0.00 4.02 4.14 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 0.00 0.00 0.00 46 S 7.88 4.35 0.00 4.09 4.06 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 47 N 7.36 4.92 0.00 2.80 2.84 0.00 0.00 6.75 8.44 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 48 A 8.21 3.72 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 49 T 7.86 3.81 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 50 T 7.87 3.99 4.36 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 1.30 0.00 0.00 51 I 7.96 3.76 2.06 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.67 0.93 0.00 0.00 52 I 7.71 3.69 2.02 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.72 0.92 0.00 0.00 53 K 8.02 3.83 0.00 1.95 2.01 0.00 1.66 0.00 0.00 1.68 0.00 0.00 2.98 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.49 1.55 7.81 54 E 8.46 4.05 0.00 2.16 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 2.35 2.34 0.00 55 A 8.38 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 56 A 8.61 3.87 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 57 A 7.84 4.10 1.51 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 58 K 7.94 4.21 0.00 1.81 1.85 0.00 1.66 0.00 0.00 1.73 0.00 0.00 3.13 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.43 1.50 7.81 59 A 7.89 4.70 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 60 L 8.10 4.51 0.00 1.52 1.48 0.83 0.84 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 61 I 7.23 3.84 1.53 0.00 0.00 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 M 8.51 4.16 0.00 2.07 2.06 0.00 0.00 0.00 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.49 0.00 73 Y 7.73 4.37 0.00 3.12 3.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 T 7.48 3.14 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.00 0.00 75 T 8.19 3.76 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 1.09 0.00 0.00 76 R 7.91 3.84 0.00 1.86 1.93 0.00 3.16 0.00 0.00 3.32 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.72 0.00 77 R 7.77 4.04 0.00 2.01 1.95 0.00 3.33 0.00 0.00 3.11 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.62 0.00 78 Y 8.27 3.88 0.00 3.16 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 79 A 8.36 4.08 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 80 A 7.93 3.93 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 81 C 8.12 4.01 0.00 2.98 2.89 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 82 I 7.64 3.83 1.86 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 1.45 0.52 0.81 0.00 0.00 83 R 7.84 3.62 0.00 1.83 1.97 0.00 3.02 0.00 0.00 3.08 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 1.24 0.00 84 D 7.95 4.00 0.00 3.02 2.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 M 8.03 4.32 0.00 2.12 2.33 0.00 0.00 0.00 0.00 0.00 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.95 0.00 86 D 8.02 4.35 0.00 2.74 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 87 Y 7.37 4.48 0.00 2.88 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 88 F 7.86 4.47 0.00 3.45 3.14 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 0.00 0.00 0.00 89 L 8.33 4.13 0.00 1.95 1.93 1.23 0.85 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 90 R 8.15 3.58 0.00 1.81 1.98 0.00 3.02 0.00 0.00 3.03 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.74 0.85 0.00 91 Y 8.45 3.75 0.00 3.18 3.01 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 92 A 8.35 3.99 0.75 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 0.00 0.00 93 T 7.69 3.78 4.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 94 Y 7.47 4.19 0.00 3.12 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 95 A 8.38 3.81 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 M 7.53 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 105 D 7.89 4.39 0.00 2.90 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 0.00 106 E 8.27 3.96 0.00 2.17 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 2.28 2.33 0.00 107 R 7.74 4.52 0.00 1.88 1.74 0.00 3.31 0.00 0.00 3.23 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.50 0.00 108 V 7.41 3.96 2.17 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 0.90 0.00 0.00 0.18 0.00 0.00 109 L 8.33 4.00 0.00 1.75 1.69 1.13 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 110 N 7.54 4.31 0.00 2.80 2.73 0.00 0.00 7.32 7.87 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 0.00 111 G 8.87 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 0.00 112 L 8.12 3.72 0.00 1.77 1.58 0.50 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.59 3.86 1.95 0.00 0.00 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.66 1.10 0.00 0.00 131 Q 8.53 4.11 0.00 2.01 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.83 0.00 0.00 0.00 0.00 0.00 2.51 2.51 0.00 132 A 7.93 4.01 1.32 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 0.00 0.00 0.00 133 M 7.65 3.92 0.00 2.08 2.28 0.00 0.00 0.00 0.00 0.00 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.84 2.59 0.00 134 K 7.47 2.80 0.00 1.39 1.75 0.00 1.79 0.00 0.00 1.63 0.00 0.00 2.98 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.30 1.31 7.81 135 E 7.60 3.82 0.00 2.14 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.30 0.00 136 V 7.63 3.60 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.00 0.00 0.94 0.00 0.00 137 V 8.06 3.66 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 1.04 0.00 0.00 0.97 0.00 0.00 138 G 8.23 3.73 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 0.00 139 G 7.69 3.71 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 140 L 7.55 3.96 0.00 1.81 1.76 0.99 0.88 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 0.00 141 V 7.95 3.90 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 0.81 0.00 0.00 1.05 0.00 0.00 142 G 7.09 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 0.00 143 P 0.00 4.16 0.00 2.18 2.13 0.00 3.64 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 2.13 2.23 0.00 144 D 8.09 4.32 0.00 2.63 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 0.00 145 A 8.00 4.68 1.32 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 0.00 0.00 0.00 146 A 7.50 3.97 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 0.00 147 K 8.00 3.95 0.00 1.89 1.83 0.00 1.61 0.00 0.00 1.75 0.00 0.00 3.00 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.52 1.56 7.81 148 E 8.14 4.01 0.00 2.05 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 2.39 2.64 0.00 149 A 8.23 4.38 1.52 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 0.00 0.00 0.00 0.00 0.00 0.00 150 S 8.20 4.30 0.00 4.15 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 0.00 151 I 7.52 3.70 1.60 0.00 0.00 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 -0.36 0.88 0.00 0.00 152 Y 7.72 4.20 0.00 3.00 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 0.00 153 F 8.27 4.16 0.00 3.39 3.12 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 0.00 154 D 8.29 4.56 0.00 2.92 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 0.00 155 Y 8.33 3.87 0.00 3.20 3.14 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 0.00 0.00 0.00 156 L 8.06 4.08 0.00 1.97 1.62 1.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 157 S 8.00 4.23 0.00 4.04 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 0.00 158 S 7.21 4.49 0.00 3.96 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 0.00 159 G 7.56 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 0.00 160 L 7.20 4.24 0.00 1.77 1.75 0.98 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 161 S 7.75 4.29 0.00 3.93 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 * Residues marked with a * may have inaccurate shift predictions.