NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 A 4.4952 8.1233 122.4844 51.7430 20.7609 175.2505 5 K 5.0231 8.7492 122.0678 54.2593 35.4994 173.4217 6 I 5.0596 9.5820 126.6614 59.4645 40.6562 174.7824 7 G 4.3352 9.3760 114.8342 45.4790 0.0000 172.7557 8 I 5.1448 9.2896 123.7157 59.4153 41.0610 174.4755 9 V 4.7650 8.9688 128.1086 61.4282 33.8773 174.2694 10 T 4.8432 8.6579 125.4581 62.2954 70.0697 173.9306 11 V 4.6566 8.5702 127.3250 61.7176 33.6731 174.4247 12 S 4.7185 9.1011 119.1624 56.7427 66.1380 176.1528 13 D 4.3861 9.2161 128.4280 57.6745 40.5628 179.0305 14 R 3.9583 8.1144 117.5917 59.4951 29.8903 178.7796 15 A 4.0481 7.8786 118.9062 55.2678 18.5055 179.5797 16 S 4.2037 7.7437 111.4577 61.3166 63.2673 176.2425 17 A 4.3811 7.6163 124.0612 53.3590 18.3179 175.5959 18 G 3.4623 6.6561 104.5563 44.8941 0.0000 173.0292 19 I 4.6350 7.7514 119.2131 58.0601 40.7760 175.5404 20 Y 4.2622 8.7781 122.0034 60.2051 38.6480 175.9028 21 E 4.5194 7.8705 113.8021 54.0450 32.3008 174.9641 22 D 4.7456 8.3085 120.0149 52.8787 41.0817 176.6462 23 I 3.8009 8.0154 121.1591 63.3635 38.0346 178.3449 24 S 4.1868 8.1721 116.9123 61.5422 62.8642 176.4122 25 G 3.7991 8.5723 109.7284 47.0789 0.0000 175.3703 26 K 3.7963 8.0930 121.7823 59.2445 32.2150 178.6184 27 A 4.0090 8.1427 120.9529 55.1700 18.2594 179.6883 28 I 3.5866 7.6415 117.7846 64.5297 37.2400 178.6660 29 I 3.8739 7.7035 120.5265 64.7548 36.5695 178.3393 30 D 4.3878 8.5556 119.9039 57.4542 40.5229 179.1779 31 T 3.5376 7.6817 116.2847 66.4897 68.6355 177.0811 32 L 3.5236 7.5885 120.6312 57.4078 41.2283 179.3476 33 N 4.7177 8.1128 116.1163 56.3553 38.5319 176.8631 34 D 4.5143 7.4007 119.1948 57.2932 41.1106 178.2173 35 Y 4.3996 7.7769 117.3220 59.8824 38.0043 175.7860 36 L 4.9871 7.2592 118.5145 53.8284 42.8980 176.7887 37 T 4.3500 8.7456 115.7807 63.5916 69.9502 176.5204 38 S 4.4536 8.0590 119.7069 58.0301 63.0739 178.1585 39 E 4.4928 8.6063 117.9575 56.2243 30.2534 177.1502 40 W 5.4743 8.1270 116.4094 55.4974 31.2939 173.3879 41 E 4.5548 9.6391 122.7106 54.2190 31.0250 173.0790 42 P 5.4142 0.0000 0.0000 61.8923 33.1149 175.2073 43 I 4.4303 9.2568 125.9921 59.9141 38.8649 173.7739 44 Y 5.4308 8.6512 128.4660 55.8831 41.1350 174.8198 45 Q 4.1538 8.5480 124.2810 53.9881 33.4569 173.9059 46 V 4.7336 7.9602 123.3501 61.1133 33.1983 174.7103 47 I 4.8559 8.6683 121.0738 58.2314 41.2875 173.1366 48 P 4.7157 0.0000 0.0000 61.7812 32.2862 176.7229 49 D 4.6719 8.1961 120.5076 54.6584 38.6670 177.7080 50 E 4.5695 7.5825 118.7734 53.7783 32.9524 175.9951 51 Q 3.9434 8.7282 125.4299 59.5106 29.1257 177.8564 52 D 4.3717 8.1871 119.1431 57.6226 40.7649 179.2009 53 V 3.5532 7.6876 117.7584 66.0013 31.6307 177.7377 54 I 3.6693 7.8421 119.6012 64.5094 36.9662 178.1867 55 E 3.9357 8.3783 119.2894 59.7614 29.3577 179.3667 56 T 3.8625 7.9623 115.6628 67.0589 68.3164 176.4744 57 T 3.8236 7.8409 116.1072 66.7605 68.6145 176.1067 58 L 4.1374 7.7732 119.2431 58.0266 41.9187 179.4690 59 I 3.9002 7.8670 119.5213 64.1318 37.0012 178.8493 60 K 3.9452 7.8781 116.1458 57.3600 31.5201 177.9499 *62 A 4.2258 7.8141 120.7108 51.9812 20.3570 178.5529 63 D 4.5571 8.4360 113.9908 56.9516 41.3774 178.0430 64 E 4.2524 8.0675 116.6069 57.8798 29.9211 177.3536 65 Q 4.4028 8.0020 114.2841 54.6787 29.7955 174.4354 66 D 4.2781 7.9249 116.1575 55.2640 39.4820 173.8901 67 C 5.1389 8.2617 115.4049 58.6034 28.6823 173.9765 68 C 4.3783 8.7915 121.2913 60.3578 30.7604 173.3846 69 L 5.3267 7.8807 120.4364 53.1085 45.4779 175.2450 70 I 5.1536 8.9664 125.9135 59.6225 41.1249 174.6729 71 V 5.0102 8.9742 119.8299 59.7301 35.1434 174.8603 72 T 5.1582 8.7317 114.6399 60.2922 71.8123 173.0435 73 T 5.0860 8.5215 117.0404 60.6003 70.8086 173.9291 74 G 3.9228 8.7000 114.2677 47.3732 0.0000 172.5253 75 G 3.8363 8.7443 105.4643 47.3737 0.0000 174.9063 76 T 4.4778 7.9351 105.7006 60.7762 69.8192 173.9689 77 G 4.0528 8.1064 112.3127 43.8448 0.0000 172.0515 78 P 4.3344 0.0000 0.0000 64.2899 31.9758 176.7027 79 A 4.1077 7.9014 122.7342 52.1639 18.7843 178.3114 80 K 3.9228 8.7252 120.6845 59.5580 32.2986 178.6168 81 R 3.9580 7.8504 117.4412 58.4826 30.2778 175.6721 82 D 4.5136 7.7801 117.1656 54.6819 40.0082 175.8369 83 V 4.7073 7.9716 115.3608 59.9773 33.1939 178.1640 84 T 3.8994 8.0448 119.6407 66.3815 68.0846 174.8333 85 P 4.4119 0.0000 0.0000 65.4524 30.9020 178.4837 86 E 3.9347 8.1921 116.9323 59.4199 29.2976 179.1165 87 A 4.0478 7.9559 120.3321 55.1809 18.4026 179.9353 88 T 3.8083 8.0001 114.4278 66.9422 68.3591 176.8226 89 E 3.9751 8.2359 119.1390 59.3583 29.5116 179.0260 90 A 4.1061 7.9003 120.0808 54.8952 18.4893 179.3090 91 V 3.7724 7.4070 115.7069 64.2124 32.1968 176.2515 92 C 4.5857 7.4877 116.0067 58.8116 28.9828 173.3840 93 D 4.5552 8.3908 122.8581 54.9370 39.9450 176.2154 94 R 4.5655 7.3567 114.8702 54.0215 32.8858 173.4475 *97 P 4.5937 0.0000 0.0000 62.6396 33.2896 178.8574 98 G 3.7920 8.2503 105.3831 48.7108 0.0000 175.3652 99 F 4.0123 8.4497 118.7958 60.3191 39.2147 177.1230 100 G 4.0224 8.2981 103.8756 48.1271 0.0000 174.5872 101 E 4.1999 8.0126 120.5206 59.0757 29.4600 180.6484 102 L 3.9900 7.6437 118.0212 55.5879 42.0211 178.7365 *104 R 4.1976 8.0218 117.7250 55.7275 32.1302 177.7566 105 A 3.9451 8.1314 118.3719 55.3439 18.1284 179.2565 106 E 3.9192 8.3677 117.2445 59.5669 29.5229 179.5975 107 S 4.2502 8.0111 112.7413 61.1816 62.3233 175.6879 108 L 4.2547 7.8192 122.1655 57.5274 41.8344 178.6833 109 K 3.8832 7.3082 117.0562 58.4042 31.7997 177.9953 110 F 4.9366 7.5998 116.1855 57.6398 40.7643 176.4958 111 V 4.5809 7.1670 110.7251 58.0564 35.1248 174.9622 112 P 4.4191 0.0000 0.0000 65.5072 31.2149 178.0605 113 T 4.2540 7.8670 107.9844 62.6793 69.0370 175.7226 114 A 4.0291 7.9043 124.9639 55.4363 18.1397 179.2281 115 I 3.9283 7.2470 108.3347 62.9516 37.8183 177.6465 116 L 4.1833 7.8145 120.2536 55.5428 42.0171 177.0545 117 S 4.2817 7.4484 114.0243 58.3751 62.7943 173.7395 118 R 4.5765 8.6776 125.3273 55.7878 30.4605 176.0120 119 Q 4.0508 7.6845 117.1340 57.5466 29.3607 176.4839 120 T 4.7713 8.8406 116.4359 61.8121 71.3822 171.6830 121 A 4.7589 8.2267 119.9902 51.6912 22.1489 175.8526 122 G 3.9516 8.3391 106.1093 46.0024 0.0000 171.8429 123 L 5.2266 8.7962 119.7429 52.6921 44.8468 176.3831 124 R 4.6367 8.7777 123.9087 55.0918 32.1195 175.6151 125 G 3.6972 8.1870 116.8415 47.3143 0.0000 173.0876 126 D 4.7778 8.7971 122.6190 52.9524 39.7181 175.5605 127 S 4.9089 8.0635 116.6942 57.3492 65.3716 172.8636 128 L 4.7007 8.5748 127.6244 54.1049 43.4732 175.0809 129 I 4.9404 8.9106 127.3907 59.4882 40.1305 174.7243 130 V 4.4838 8.5939 126.2426 60.9894 34.6227 174.0006 131 N 5.3679 8.9992 126.2267 52.4114 38.9473 174.9755 132 L 4.7341 8.8757 124.9170 52.7150 44.4065 175.8564 133 P 4.6560 0.0000 0.0000 62.5694 33.2468 175.4623 134 G 3.8449 8.5851 105.4194 47.7667 0.0000 175.2792 135 K 4.0317 7.8294 121.6967 55.3176 33.7190 175.2459 136 P 4.2233 0.0000 0.0000 65.9297 31.3681 178.7397 137 K 3.9763 7.9800 117.6258 59.5052 32.1002 178.9687 138 S 4.3404 7.9826 115.1224 61.4406 62.7934 176.2841 139 I 3.7073 8.3329 122.8979 64.4110 36.9173 178.2703 140 R 3.8592 8.0136 119.1715 59.7002 29.8407 178.2947 141 E 4.1108 8.2475 118.2425 59.5047 29.4441 179.0859 142 C 4.2014 8.5864 119.0024 62.5724 31.7249 175.4554 143 L 4.1898 8.2950 120.8944 58.2140 41.0449 179.2113 144 D 4.5255 8.6698 117.6293 57.4955 40.7999 178.6049 145 A 4.1561 7.6541 120.4960 54.7150 18.8227 179.2879 146 V 3.8659 7.9082 110.0875 63.1526 32.4033 178.1899 147 F 3.9950 8.7022 120.9898 60.8621 39.0426 175.3630 148 P 4.4095 0.0000 0.0000 64.8934 31.5439 177.3099 149 A 4.4226 7.8754 118.7764 52.8400 18.9957 179.3249 150 I 3.6215 7.6909 119.5434 63.7140 37.1992 176.5377 151 P 4.0195 0.0000 0.0000 65.6440 31.1932 177.9926 152 Y 4.2868 7.8565 117.8388 60.6973 38.4921 177.2651 153 C 3.8860 7.9105 118.7056 62.7527 31.9316 175.5052 154 I 3.7793 7.9359 121.5286 64.2461 36.4094 177.8894 155 D 4.4059 8.1640 119.2012 57.3049 40.9915 180.7608 156 L 4.1016 7.2989 118.9720 54.1874 41.5039 177.4110 *158 E 4.1338 8.1485 114.6704 56.1404 31.0155 176.7053 159 G 4.0042 7.7759 109.3394 43.1641 0.0000 172.4291 160 P 4.2909 0.0000 0.0000 62.9053 31.4494 176.2813 161 Y 4.1732 8.4180 122.3265 56.7938 37.3996 174.3882 162 L 4.2512 7.9831 126.3146 54.3890 42.7073 176.5582 163 E 4.9286 8.7124 121.4720 54.7953 33.0251 174.6391 164 C 5.3657 8.4887 119.0631 57.7088 32.2879 173.3991 165 N 4.4609 9.0272 121.4450 53.5361 38.5318 175.7057 166 E 4.2866 9.3324 126.4828 58.9914 29.8191 178.7804 167 A 4.2643 8.1795 118.5189 53.4160 18.6470 177.1536 168 V 4.2794 7.6026 113.7126 63.7243 33.5397 175.7700 169 I 4.4141 8.1599 119.2660 59.1224 40.8916 173.4529 170 K 4.8077 8.3916 127.0707 54.0717 32.8808 173.8187 171 P 4.5469 0.0000 0.0000 62.8181 32.1173 175.4286 172 F 4.6203 8.8129 125.8244 57.1126 40.3888 175.7056 173 R 3.6220 7.5424 123.8507 56.0134 30.2169 175.5419 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 A 8.12 4.50 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 5 K 8.75 5.02 0.00 2.04 1.77 0.00 1.97 0.00 0.00 1.82 0.00 0.00 2.90 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.48 1.60 7.81 6 I 9.58 5.06 2.16 0.00 0.00 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.89 0.98 0.00 0.00 7 G 9.38 4.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 I 9.29 5.14 2.13 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 1.07 1.07 0.00 0.00 9 V 8.97 4.77 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 1.05 0.00 0.00 0.94 0.00 0.00 10 T 8.66 4.84 4.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 11 V 8.57 4.66 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 0.97 0.00 0.00 0.94 0.00 0.00 12 S 9.10 4.72 0.00 3.85 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 13 D 9.22 4.39 0.00 2.73 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 14 R 8.11 3.96 0.00 1.87 2.02 0.00 3.15 0.00 0.00 3.36 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.73 0.00 15 A 7.88 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 16 S 7.74 4.20 0.00 3.97 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 17 A 7.62 4.38 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 18 G 6.66 3.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.75 4.63 1.94 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 1.34 0.83 1.01 0.00 0.00 20 Y 8.78 4.26 0.00 2.95 3.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 E 7.87 4.52 0.00 1.98 1.60 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 2.41 2.37 0.00 22 D 8.31 4.75 0.00 2.89 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 23 I 8.02 3.80 1.88 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 1.67 0.58 0.95 0.00 0.00 24 S 8.17 4.19 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 25 G 8.57 3.80 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 0.00 0.00 0.00 26 K 8.09 3.80 0.00 1.95 1.98 0.00 1.46 0.00 0.00 1.60 0.00 0.00 3.01 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.41 1.59 7.81 27 A 8.14 4.01 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 I 7.64 3.59 2.06 0.00 0.00 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 1.54 0.82 0.95 0.00 0.00 29 I 7.70 3.87 1.93 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 1.56 1.09 0.90 0.00 0.00 30 D 8.56 4.39 0.00 2.63 2.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 T 7.68 3.54 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 0.38 0.00 0.00 32 L 7.59 3.52 0.00 1.51 0.79 0.68 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 33 N 8.11 4.72 0.00 2.85 2.95 0.00 0.00 7.04 7.36 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 34 D 7.40 4.51 0.00 2.64 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 35 Y 7.78 4.40 0.00 2.74 2.57 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.26 4.99 0.00 1.75 1.66 0.11 0.86 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 37 T 8.75 4.35 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 1.27 0.00 0.00 38 S 8.06 4.45 0.00 3.65 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 39 E 8.61 4.49 0.00 1.98 1.76 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 2.23 1.87 0.00 40 W 8.13 5.47 0.00 3.47 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 41 E 9.64 4.55 0.00 2.04 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 2.20 2.39 0.00 42 P 0.00 5.41 0.00 2.11 2.25 0.00 3.53 0.00 0.00 3.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.20 0.00 43 I 9.26 4.43 1.95 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 1.16 0.92 0.95 0.00 0.00 44 Y 8.65 5.43 0.00 2.88 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 45 Q 8.55 4.15 0.00 1.83 1.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.55 0.00 0.00 0.00 0.00 0.00 2.18 2.36 0.00 46 V 7.96 4.73 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 0.84 0.00 0.00 0.65 0.00 0.00 47 I 8.67 4.86 1.84 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.88 0.85 0.00 0.00 48 P 0.00 4.72 0.00 2.09 2.09 0.00 3.74 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.98 0.00 49 D 8.20 4.67 0.00 2.99 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 50 E 7.58 4.57 0.00 1.91 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.25 0.00 51 Q 8.73 3.94 0.00 2.11 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.49 6.83 0.00 0.00 0.00 0.00 0.00 2.57 2.47 0.00 52 D 8.19 4.37 0.00 2.72 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 53 V 7.69 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 1.13 0.00 0.00 0.92 0.00 0.00 54 I 7.84 3.67 1.87 0.00 0.00 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0.00 0.00 133 P 0.00 4.66 0.00 2.21 2.26 0.00 3.80 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.01 0.00 134 G 8.59 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 0.00 0.00 0.00 135 K 7.83 4.03 0.00 1.84 1.70 0.00 1.74 0.00 0.00 1.80 0.00 0.00 2.93 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.50 1.53 7.81 136 P 0.00 4.22 0.00 2.18 2.09 0.00 3.65 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 2.16 0.00 137 K 7.98 3.98 0.00 1.79 1.77 0.00 1.62 0.00 0.00 1.75 0.00 0.00 2.84 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.73 1.49 7.81 138 S 7.98 4.34 0.00 4.07 3.93 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 0.00 0.00 0.00 139 I 8.33 3.71 2.01 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 1.46 0.86 0.91 0.00 0.00 140 R 8.01 3.86 0.00 1.90 2.07 0.00 3.14 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 1.63 1.88 0.00 141 E 8.25 4.11 0.00 2.34 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 2.44 2.40 0.00 142 C 8.59 4.20 0.00 3.09 3.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 143 L 8.29 4.19 0.00 2.03 2.00 0.86 1.34 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 0.00 144 D 8.67 4.53 0.00 2.85 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 0.00 145 A 7.65 4.16 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 0.00 146 V 7.91 3.87 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.72 0.00 0.00 1.19 0.00 0.00 147 F 8.70 3.99 0.00 3.28 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 0.00 148 P 0.00 4.41 0.00 2.18 2.23 0.00 3.78 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.06 0.00 149 A 7.88 4.42 1.24 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 0.00 0.00 0.00 150 I 7.69 3.62 1.11 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.81 0.59 0.00 0.00 151 P 0.00 4.02 0.00 1.97 1.86 0.00 3.31 0.00 0.00 2.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.77 0.00 152 Y 7.86 4.29 0.00 3.12 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 C 7.91 3.89 0.00 3.22 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 0.00 154 I 7.94 3.78 1.88 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 1.46 0.58 0.89 0.00 0.00 155 D 8.16 4.41 0.00 2.57 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 0.00 156 L 7.30 4.10 0.00 1.54 1.52 0.62 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 *158 E 8.15 4.13 0.00 1.97 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 2.20 2.29 0.00 159 G 7.78 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 0.00 160 P 0.00 4.29 0.00 2.26 2.13 0.00 3.78 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.01 0.00 161 Y 8.42 4.17 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 0.00 162 L 7.98 4.25 0.00 1.58 1.60 0.90 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 0.00 163 E 8.71 4.93 0.00 2.00 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 2.53 2.58 0.00 164 C 8.49 5.37 0.00 2.83 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 0.00 165 N 9.03 4.46 0.00 2.90 2.78 0.00 0.00 7.27 7.31 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 0.00 166 E 9.33 4.29 0.00 2.06 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 2.43 2.24 0.00 167 A 8.18 4.26 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 168 V 7.60 4.28 2.28 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 1.01 0.00 0.00 0.98 0.00 0.00 169 I 8.16 4.41 1.51 0.00 0.00 0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.99 0.65 0.00 0.00 170 K 8.39 4.81 0.00 1.89 1.82 0.00 1.65 0.00 0.00 1.77 0.00 0.00 2.84 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.30 1.39 7.81 171 P 0.00 4.55 0.00 2.03 2.03 0.00 3.98 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.95 0.00 172 F 8.81 4.62 0.00 2.93 2.93 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 0.00 0.00 0.00 173 R 7.54 3.62 0.00 1.46 1.63 0.00 3.32 0.00 0.00 3.39 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.46 0.00 * Residues marked with a * may have inaccurate shift predictions.