NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 17 E 4.2288 8.4449 116.7550 55.0949 31.3132 177.7146 *19 P 4.3072 0.0000 0.0000 62.7495 34.6847 176.1079 20 Q 4.0660 8.5750 119.9391 59.3058 28.6821 179.3122 21 E 4.0066 8.1352 119.0658 59.4719 29.5562 179.2207 22 Q 4.0217 8.0310 117.5949 59.0462 28.8842 178.5866 23 Q 4.0217 8.1490 119.0835 58.9447 28.7220 178.7639 24 L 4.0905 8.2344 121.1356 58.0683 41.9253 178.7369 25 A 4.0071 7.8927 119.8344 55.2593 18.3677 179.5070 26 V 3.7273 7.8186 115.7097 66.0466 31.9235 178.0288 27 K 4.2074 8.2380 118.3077 59.5503 31.7749 179.0178 28 Y 3.1611 7.8538 116.0072 58.3026 38.2539 177.1356 *30 D 4.4670 8.0640 119.6248 53.9035 43.1786 177.7228 31 A 3.9441 7.9109 121.7616 55.1303 18.9125 179.4569 32 L 3.8424 8.0701 118.2343 58.3845 42.1972 179.3192 33 T 4.3473 7.7532 106.6676 64.1895 69.0319 175.0450 34 E 4.1604 8.1692 120.1986 56.7306 30.0259 175.8205 35 H 3.6444 7.6415 115.3172 56.6028 26.9583 176.7598 36 D 4.5009 7.7204 118.6728 53.4750 39.0626 174.5173 37 Y 4.4636 7.6342 122.1451 60.2939 38.0954 177.2744 38 K 3.9679 8.1384 119.6631 59.8311 32.7050 178.5459 39 T 4.1280 8.0057 116.0886 66.4463 68.4726 176.6410 40 L 4.1000 8.4017 122.7343 58.3470 42.1338 178.9180 41 I 3.8946 8.2993 118.7331 63.9587 37.6525 177.7857 42 T 3.9657 7.7237 109.5788 64.1201 68.8583 175.1028 43 F 4.6592 8.1808 118.9522 57.5647 39.5127 174.6170 44 Y 5.4004 7.7341 118.4415 56.0668 40.9069 174.4453 45 N 5.3153 8.6628 119.8440 50.8137 40.2240 175.0143 46 R 4.1546 8.6210 113.2377 58.6171 29.5573 176.7919 47 D 4.6713 8.1315 117.4322 54.7811 41.6602 176.8191 48 S 4.5296 8.2371 117.5952 58.7477 64.1127 173.1486 49 I 4.7852 8.7038 125.6638 59.5631 39.4742 174.2572 50 F 5.1517 9.3842 130.5153 56.5368 41.2252 174.1223 51 F 5.2167 8.7574 129.4248 56.5204 42.1538 173.6021 52 D 4.5955 8.9133 128.2776 52.9273 40.5568 176.9815 53 K 2.8454 8.2461 127.1990 58.7763 32.3892 180.2092 54 T 3.8195 7.8223 107.9720 64.1951 68.8631 175.0370 55 A 4.1242 8.6564 123.2057 51.6839 19.4579 176.0942 56 N 4.2414 7.3449 113.8220 54.9847 38.0185 174.2281 57 R 4.5759 8.1438 115.7513 54.1373 33.5044 176.0628 58 K 4.9994 8.2464 124.5675 54.6944 35.2061 174.6286 59 Y 4.7526 9.1189 123.7894 56.5037 41.9143 174.3496 60 T 4.9448 8.9808 120.0546 62.9433 71.6104 174.6390 61 G 4.0567 9.5332 113.8581 45.7090 0.0000 174.3461 62 G 3.7488 8.9369 108.7671 47.8241 0.0000 175.8298 63 R 3.6655 7.8382 120.4774 59.2486 30.0249 178.3704 64 F 4.3123 7.6916 116.5958 59.9485 39.1070 177.9304 65 I 3.6369 7.8670 119.7777 64.5139 36.8190 178.5506 66 I 3.5208 7.7841 120.6283 64.1340 36.8096 178.1107 67 D 4.2087 7.9188 119.8753 57.2552 40.6289 178.6730 68 F 3.8742 7.9137 120.8777 61.1834 39.2874 177.1178 69 L 3.0345 7.4183 118.4530 57.4683 41.1325 179.2360 70 E 3.9740 7.9509 117.6798 59.5439 29.2426 179.5452 71 R 3.9542 7.7574 117.5672 59.2504 29.9733 179.0126 72 A 3.8413 7.7220 119.5089 54.3726 18.4708 177.9454 73 H 5.0102 7.7219 113.1513 55.2890 29.4088 173.9211 74 Q 4.1139 7.5226 117.9125 57.8706 28.4286 176.9117 75 G 3.9079 8.9643 109.3482 45.6277 0.0000 173.7256 76 V 3.4540 7.4307 118.7392 62.2192 31.6446 176.0609 77 L 4.2899 8.3167 123.1235 56.7941 42.6497 176.9932 78 E 4.6878 7.4501 118.1434 54.9305 33.3343 173.4436 79 Y 5.5377 8.3971 126.7497 56.7122 41.9213 173.4155 80 D 4.6487 9.0968 125.1168 52.8462 46.2614 174.0864 81 F 4.8579 8.5642 123.7560 56.6911 41.1240 174.8227 82 N 4.4821 8.7323 126.0910 51.7658 39.3847 174.7235 83 I 3.5210 7.6830 125.7321 61.1142 37.1425 176.0325 84 E 4.2709 9.0192 127.6528 58.6832 30.5375 175.5185 85 H 4.8026 7.7299 116.4279 55.2617 33.5576 171.6447 *87 Y 4.7508 8.2614 118.3326 57.0234 39.5197 173.6089 88 N 5.2558 8.6898 114.9244 51.3159 40.4607 174.2104 89 A 4.5608 8.7501 122.9884 50.8319 20.8304 177.2181 90 G 3.7044 8.1996 114.5354 48.1784 0.0000 172.8915 91 S 4.4759 8.6262 119.5896 57.8125 63.1945 172.5701 92 L 4.7995 7.9907 124.9276 54.3248 43.0591 175.1909 93 V 4.6272 8.7606 127.5383 61.1985 33.8044 174.8932 94 V 4.3412 8.1047 127.4538 60.8099 34.8113 174.3166 *96 I 4.0711 8.0765 121.3699 61.4701 38.4085 175.0441 97 G 3.7331 8.7070 114.0168 46.3474 0.0000 171.3790 98 N 5.6269 8.1748 120.1992 52.4669 43.0947 174.0959 99 Y 5.0127 9.2502 124.3829 57.3486 39.9591 173.8192 100 H 5.4999 9.3063 125.3613 54.6908 31.8974 173.2419 101 F 5.3493 9.3210 128.0078 56.2445 42.6262 173.1541 102 K 4.6853 7.9228 127.4639 54.8549 34.8735 175.2470 103 G 4.0966 8.3377 113.1562 45.0297 0.0000 170.1897 104 P 4.7923 0.0000 0.0000 63.3166 31.5114 177.4550 105 G 4.0673 9.1826 111.5317 46.2994 0.0000 175.4180 106 E 3.9949 8.5746 120.7034 59.8591 29.2915 179.1040 107 Q 4.0980 8.0493 114.3129 58.0736 28.8764 176.8898 108 F 4.6639 8.3548 119.3606 56.9930 39.1267 176.0748 109 G 3.9521 8.0449 106.1079 45.9264 0.0000 174.9142 110 K 4.7032 7.6810 116.0386 53.3392 32.4775 174.2603 111 P 4.2617 0.0000 0.0000 64.4278 31.8888 177.7919 112 G 3.9319 9.6603 109.0225 45.6587 0.0000 173.0019 113 K 4.7363 7.6779 118.5538 54.5087 36.1114 174.8499 114 I 4.9401 8.2317 122.3838 59.8831 38.6955 175.6931 115 I 4.5402 8.6028 121.0434 59.8576 40.3698 174.6755 116 D 5.0366 8.9832 122.9762 53.3611 43.5753 174.7106 117 V 4.8290 9.1947 119.1236 59.5689 36.2483 175.2745 118 A 5.0988 9.5500 124.3408 50.7083 21.2587 175.4426 119 I 4.4671 9.0080 123.3573 59.5701 39.6009 174.1731 120 P 4.8880 0.0000 0.0000 63.3932 32.4759 175.2337 121 A 5.1024 8.9076 122.8820 51.2442 23.4898 175.1517 122 V 4.7499 8.8047 119.2321 61.3916 34.6380 174.5495 123 T 5.2408 8.7904 123.6627 61.7089 71.3759 173.2927 124 S 5.0287 9.0596 120.8081 56.4208 66.3158 172.8925 125 L 5.1041 8.8355 122.3063 52.8615 44.9004 175.1954 126 K 4.7784 9.0625 126.0568 55.2074 33.4454 175.0705 127 L 5.0920 8.6384 127.9778 53.3465 43.9054 175.7112 128 D 4.6532 9.0675 122.1874 52.9342 43.5971 176.8051 *130 L 4.1832 8.3946 121.9736 54.9061 43.4312 177.0676 131 N 4.6274 8.4193 112.1327 52.3339 39.5490 174.8625 132 R 3.8255 7.8111 116.8828 57.7730 27.9048 175.3207 133 R 5.1011 7.9180 114.8425 54.3878 34.9049 176.4323 134 V 4.4902 8.9512 122.7514 62.2923 31.6346 175.8437 135 T 4.3519 9.0392 120.0022 63.9198 70.5593 174.6687 136 E 5.1417 8.0261 122.7660 54.8472 33.5053 173.2141 137 H 5.2899 9.7355 127.5257 54.5372 32.5421 172.3689 138 V 4.7524 8.8757 126.7150 61.1916 34.0531 173.7586 139 D 5.2344 8.6569 127.9080 52.6268 43.5509 175.5119 140 L 4.7613 9.0873 123.3507 53.1138 43.8242 174.9474 141 I 4.4204 8.5730 124.9312 59.1201 39.2323 176.7605 142 D 4.5903 8.3867 127.4750 53.0542 39.4035 175.5296 143 Y 4.3553 7.7123 120.0072 60.3996 38.8939 177.7436 144 Q 4.1975 8.3338 120.9140 59.5078 29.5223 179.1385 145 T 4.2938 8.0193 112.8814 63.9505 68.0782 176.0762 *147 S 4.4591 8.2409 117.9622 58.5484 64.1362 175.3644 148 D 4.4341 8.4384 119.2632 57.6355 40.5472 178.5995 149 Q 4.1776 8.0080 117.5043 58.8882 28.8167 178.3993 150 L 4.2002 7.9466 118.4889 57.0766 41.8743 179.8303 151 A 4.1783 7.7744 121.8423 51.7264 18.4507 177.3421 *153 Q 4.0711 8.1663 125.8194 57.7745 29.2855 175.6073 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 17 E 8.44 4.23 0.00 2.01 1.64 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 2.13 1.91 0.00 *19 P 0.00 4.31 0.00 2.19 2.05 0.00 3.59 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.20 0.00 20 Q 8.57 4.07 0.00 2.08 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.91 0.00 0.00 0.00 0.00 0.00 2.47 2.42 0.00 21 E 8.14 4.01 0.00 2.07 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 2.54 2.48 0.00 22 Q 8.03 4.02 0.00 2.26 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.90 0.00 0.00 0.00 0.00 0.00 2.45 2.56 0.00 23 Q 8.15 4.02 0.00 2.31 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.81 0.00 0.00 0.00 0.00 0.00 2.40 2.59 0.00 24 L 8.23 4.09 0.00 1.84 1.87 1.16 0.94 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 25 A 7.89 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 26 V 7.82 3.73 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 0.88 0.00 0.00 1.01 0.00 0.00 27 K 8.24 4.21 0.00 2.21 2.06 0.00 1.84 0.00 0.00 1.68 0.00 0.00 2.94 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.54 1.70 7.81 28 Y 7.85 3.16 0.00 1.90 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 *30 D 8.06 4.47 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 31 A 7.91 3.94 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 32 L 8.07 3.84 0.00 1.25 1.48 0.97 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 33 T 7.75 4.35 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 1.11 0.00 0.00 34 E 8.17 4.16 0.00 2.06 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 2.33 2.32 0.00 35 H 7.64 3.64 0.00 2.98 2.60 0.00 5.84 0.00 0.00 0.00 0.00 8.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 D 7.72 4.50 0.00 2.74 2.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 Y 7.63 4.46 0.00 3.06 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 38 K 8.14 3.97 0.00 1.80 1.88 0.00 1.79 0.00 0.00 1.72 0.00 0.00 3.03 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.45 1.57 7.81 39 T 8.01 4.13 4.50 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 1.40 0.00 0.00 40 L 8.40 4.10 0.00 1.94 1.86 0.58 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 41 I 8.30 3.89 2.04 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.14 1.03 0.00 0.00 42 T 7.72 3.97 4.07 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 1.23 0.00 0.00 43 F 8.18 4.66 0.00 2.96 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 44 Y 7.73 5.40 0.00 3.05 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 45 N 8.66 5.32 0.00 2.97 3.00 0.00 0.00 6.81 7.27 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 46 R 8.62 4.15 0.00 2.02 2.16 0.00 3.06 0.00 0.00 3.26 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.69 0.00 47 D 8.13 4.67 0.00 2.89 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 48 S 8.24 4.53 0.00 3.95 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 0.00 49 I 8.70 4.79 1.89 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 1.08 0.86 0.87 0.00 0.00 50 F 9.38 5.15 0.00 3.07 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 51 F 8.76 5.22 0.00 2.82 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 52 D 8.91 4.60 0.00 2.88 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 53 K 8.25 2.85 0.00 1.47 1.48 0.00 1.66 0.00 0.00 1.52 0.00 0.00 2.82 0.00 0.00 2.91 0.00 0.00 0.00 0.00 0.46 0.21 7.81 54 T 7.82 3.82 4.42 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 1.25 0.00 0.00 55 A 8.66 4.12 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 56 N 7.34 4.24 0.00 2.76 2.84 0.00 0.00 6.94 7.50 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 57 R 8.14 4.58 0.00 1.79 1.59 0.00 3.20 0.00 0.00 3.12 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.60 0.00 58 K 8.25 5.00 0.00 1.40 1.32 0.00 1.38 0.00 0.00 1.40 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.08 1.11 7.81 59 Y 9.12 4.75 0.00 2.88 2.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 T 8.98 4.94 4.22 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 1.34 0.00 0.00 61 G 9.53 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 0.00 0.00 0.00 62 G 8.94 3.75 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 0.00 63 R 7.84 3.67 0.00 1.60 1.32 0.00 2.82 0.00 0.00 2.25 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 1.36 0.00 64 F 7.69 4.31 0.00 3.34 3.20 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 65 I 7.87 3.64 1.52 0.00 0.00 0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.68 0.81 0.00 0.00 66 I 7.78 3.52 1.72 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 1.37 0.82 -0.05 0.00 0.00 67 D 7.92 4.21 0.00 2.92 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 68 F 7.91 3.87 0.00 1.74 2.62 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.42 3.03 0.00 1.70 1.58 0.97 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 70 E 7.95 3.97 0.00 1.94 1.96 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 2.31 2.41 0.00 71 R 7.76 3.95 0.00 1.89 1.88 0.00 3.11 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.74 0.00 72 A 7.72 3.84 0.63 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 0.00 0.00 73 H 7.72 5.01 0.00 3.21 3.21 0.00 5.66 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 Q 7.52 4.11 0.00 2.16 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.20 0.00 0.00 0.00 0.00 0.00 2.35 2.39 0.00 75 G 8.96 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 V 7.43 3.45 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 0.63 0.00 0.00 0.54 0.00 0.00 77 L 8.32 4.29 0.00 1.51 1.65 0.89 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 78 E 7.45 4.69 0.00 1.91 1.57 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 2.29 2.30 0.00 79 Y 8.40 5.54 0.00 2.80 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 80 D 9.10 4.65 0.00 2.60 2.42 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 81 F 8.56 4.86 0.00 2.39 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 82 N 8.73 4.48 0.00 2.53 2.60 0.00 0.00 6.64 7.03 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 83 I 7.68 3.52 1.63 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.66 -0.28 0.75 0.00 0.00 84 E 9.02 4.27 0.00 1.89 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 2.24 2.13 0.00 85 H 7.73 4.80 0.00 3.10 3.24 0.00 5.95 0.00 0.00 0.00 0.00 6.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *87 Y 8.26 4.75 0.00 3.07 3.02 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 0.00 88 N 8.69 5.26 0.00 3.03 2.77 0.00 0.00 5.74 7.26 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 89 A 8.75 4.56 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 90 G 8.20 3.70 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 0.00 0.00 0.00 91 S 8.63 4.48 0.00 4.12 4.10 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 92 L 7.99 4.80 0.00 1.81 1.74 0.97 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 93 V 8.76 4.63 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.00 0.00 0.92 0.00 0.00 94 V 8.10 4.34 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.55 0.00 0.00 0.69 0.00 0.00 *96 I 8.08 4.07 2.04 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.49 0.96 0.00 0.00 97 G 8.71 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 98 N 8.17 5.63 0.00 2.89 2.57 0.00 0.00 7.59 7.58 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 99 Y 9.25 5.01 0.00 3.10 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 0.00 100 H 9.31 5.50 0.00 3.25 3.22 0.00 5.54 0.00 0.00 0.00 0.00 6.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 101 F 9.32 5.35 0.00 3.38 2.88 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 0.00 102 K 7.92 4.69 0.00 1.65 1.37 0.00 1.69 0.00 0.00 1.77 0.00 0.00 2.91 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.17 1.43 7.81 103 G 8.34 4.10 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 0.00 0.00 0.00 104 P 0.00 4.79 0.00 2.06 2.15 0.00 3.90 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 2.22 2.14 0.00 105 G 9.18 4.07 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 0.00 0.00 0.00 106 E 8.57 3.99 0.00 2.11 2.06 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 2.43 2.49 0.00 107 Q 8.05 4.10 0.00 1.95 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 7.19 0.00 0.00 0.00 0.00 0.00 1.95 1.34 0.00 108 F 8.35 4.66 0.00 3.10 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 0.00 109 G 8.04 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 0.00 110 K 7.68 4.70 0.00 1.83 1.76 0.00 1.84 0.00 0.00 1.91 0.00 0.00 3.04 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.50 1.39 7.81 111 P 0.00 4.26 0.00 2.19 2.10 0.00 3.96 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.00 0.00 112 G 9.66 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 0.00 0.00 0.00 113 K 7.68 4.74 0.00 1.84 1.71 0.00 1.67 0.00 0.00 1.67 0.00 0.00 2.88 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.36 1.40 7.81 114 I 8.23 4.94 1.86 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.80 0.86 0.00 0.00 115 I 8.60 4.54 1.76 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 0.80 0.82 0.92 0.00 0.00 116 D 8.98 5.04 0.00 2.65 2.56 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 0.00 117 V 9.19 4.83 2.23 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 0.64 0.00 0.00 1.07 0.00 0.00 118 A 9.55 5.10 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 0.00 119 I 9.01 4.47 2.02 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.94 0.90 0.00 0.00 120 P 0.00 4.89 0.00 2.10 2.01 0.00 3.67 0.00 0.00 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.14 0.00 121 A 8.91 5.10 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 0.00 122 V 8.80 4.75 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 1.05 0.00 0.00 0.99 0.00 0.00 123 T 8.79 5.24 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 1.19 0.00 0.00 124 S 9.06 5.03 0.00 3.80 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 0.00 125 L 8.84 5.10 0.00 1.48 1.43 0.86 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 126 K 9.06 4.78 0.00 1.86 1.69 0.00 1.67 0.00 0.00 1.65 0.00 0.00 2.96 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.38 1.46 7.81 127 L 8.64 5.09 0.00 1.56 1.58 0.95 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 128 D 9.07 4.65 0.00 2.68 2.55 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 *130 L 8.39 4.18 0.00 1.66 1.87 0.92 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 131 N 8.42 4.63 0.00 2.92 2.83 0.00 0.00 7.19 7.72 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 0.00 132 R 7.81 3.83 0.00 1.87 1.70 0.00 3.03 0.00 0.00 3.27 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.59 0.00 133 R 7.92 5.10 0.00 1.79 1.93 0.00 3.20 0.00 0.00 3.14 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.72 0.00 134 V 8.95 4.49 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 0.75 0.00 0.00 0.04 0.00 0.00 135 T 9.04 4.35 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 1.25 0.00 0.00 136 E 8.03 5.14 0.00 2.05 1.80 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 2.32 2.35 0.00 137 H 9.74 5.29 0.00 3.37 3.29 0.00 5.60 0.00 0.00 0.00 0.00 6.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 138 V 8.88 4.75 2.06 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 0.92 0.00 0.00 0.98 0.00 0.00 139 D 8.66 5.23 0.00 2.42 2.49 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 0.00 140 L 9.09 4.76 0.00 1.51 1.55 0.91 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 141 I 8.57 4.42 1.04 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.71 0.23 0.00 0.00 142 D 8.39 4.59 0.00 2.61 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 0.00 143 Y 7.71 4.36 0.00 3.10 3.03 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 0.00 144 Q 8.33 4.20 0.00 2.19 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.06 7.20 0.00 0.00 0.00 0.00 0.00 2.46 2.49 0.00 145 T 8.02 4.29 4.47 0.00 0.00 0.00 0.00 0.00 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 *147 S 8.24 4.46 0.00 3.97 4.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 148 D 8.44 4.43 0.00 2.88 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 0.00 149 Q 8.01 4.18 0.00 2.08 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 7.01 0.00 0.00 0.00 0.00 0.00 2.42 2.56 0.00 150 L 7.95 4.20 0.00 1.83 1.79 1.08 0.72 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 0.00 151 A 7.77 4.18 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 *153 Q 8.17 4.07 0.00 2.22 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.60 0.00 0.00 0.00 0.00 0.00 2.27 2.53 0.00 * Residues marked with a * may have inaccurate shift predictions.