NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 A 4.3485 8.1076 123.5844 52.1260 19.8141 177.6058 1 M 4.1251 8.6048 117.8425 55.3071 31.5064 175.3281 2 T 4.4212 8.4323 109.6000 61.8441 70.9046 175.9176 3 D 4.5264 7.5991 122.0415 54.1255 41.4365 175.9572 4 A 4.4103 8.3366 123.9647 52.5090 18.9793 178.2147 5 V 4.2677 8.3963 113.6814 61.2940 32.7798 176.1303 6 L 4.6686 7.6000 120.3394 53.3699 45.0196 174.2662 7 E 4.6382 8.6629 123.9543 54.5235 31.5491 175.4462 8 L 4.5387 8.1274 123.3643 51.9577 44.1026 174.7060 9 P 4.3101 0.0000 0.0000 62.3316 32.3198 177.3237 10 A 4.0914 8.9095 124.0457 55.5395 18.3726 179.8557 11 A 4.1284 8.0913 118.0431 55.0573 18.2454 179.5860 12 T 3.8410 8.0544 114.7566 66.6541 68.5109 176.0446 13 F 4.3055 8.5495 118.1501 58.9037 38.6252 176.0570 14 D 4.8901 7.6665 116.8189 53.6511 41.7339 175.7916 15 L 4.2056 7.6691 120.7267 53.7120 42.1036 175.0997 16 P 4.6422 0.0000 0.0000 62.7709 32.3929 175.5065 17 L 4.7654 8.7244 123.1412 52.9167 44.9485 175.6961 18 S 4.8072 8.7707 120.8219 58.2622 64.1808 174.5770 19 L 4.8960 8.7771 125.9662 53.2504 44.1925 175.8407 20 S 4.2369 8.4194 114.2991 59.6524 62.8551 173.7943 21 G 3.9321 8.5698 115.0495 44.6729 0.0000 174.5683 22 G 3.9350 7.6690 107.5743 45.0334 0.0000 173.6479 23 T 4.3663 7.5769 109.9211 61.4676 70.8170 173.3583 24 Q 5.2331 8.4460 120.0167 54.6553 32.1264 174.4475 25 T 4.9018 8.6989 114.7474 61.2506 71.8220 171.8682 26 T 4.9559 8.1616 112.7845 59.2240 71.8170 174.6218 27 L 4.1466 8.6079 121.0228 57.7091 41.5306 179.5801 28 R 4.0197 8.3483 118.7384 59.3958 29.7870 178.3462 29 A 4.1171 7.8439 119.3160 54.4897 18.6923 178.1633 30 H 4.5982 8.2161 113.4421 54.6511 29.2033 175.0109 31 A 4.2587 7.2425 124.7107 53.3094 18.7075 178.1581 32 G 4.0830 9.5219 109.5271 45.3182 0.0000 173.2570 33 H 5.1219 7.4985 113.1900 53.4651 32.6405 173.1897 34 W 4.3842 9.0959 119.1043 56.9889 30.4707 175.1590 35 L 5.2264 9.1880 124.0410 53.5508 45.2010 175.0400 36 V 4.6621 8.7719 126.8193 61.5069 33.3219 174.3536 37 I 4.6846 8.7665 129.7152 59.6358 39.6306 174.1162 38 Y 5.2262 8.2576 125.7897 55.0971 40.8074 174.6337 39 F 5.3323 9.9576 121.9054 55.9940 41.6563 174.3197 40 Y 5.3381 8.3511 120.4300 54.5404 41.0078 173.4541 41 P 4.5520 0.0000 0.0000 62.4483 32.1940 176.7701 42 K 4.2596 8.5541 119.7344 59.1784 32.3461 178.3560 43 D 4.7190 8.1047 115.6650 53.8856 39.5106 176.5914 44 S 4.5499 7.8886 114.7389 56.1694 63.1909 174.2988 45 T 4.0275 8.4816 123.6982 65.8481 68.4528 174.3174 46 P 4.4271 0.0000 0.0000 65.6111 31.4268 178.9433 47 G 3.6377 7.9793 104.4076 47.7133 0.0000 175.0906 48 C 4.2286 8.3084 120.7372 59.7392 44.6454 175.7997 49 T 4.0629 8.3374 117.6711 67.0763 68.1266 176.8884 50 T 3.8683 8.1074 117.6129 66.6202 68.5827 176.4887 51 E 3.8279 8.2654 121.3887 59.0325 29.5347 179.0950 52 G 2.9014 7.9498 105.7160 47.6661 0.0000 175.7668 53 L 4.1082 8.0765 121.8800 57.2782 41.3207 179.4894 54 D 4.2275 7.7460 118.2699 57.4510 40.9411 178.4844 55 F 4.2123 7.6648 118.0807 60.4278 38.6509 177.2590 56 N 4.5867 8.6832 116.8357 56.7970 38.5594 176.8414 57 A 4.0979 8.1433 121.2129 54.2920 18.7936 178.5418 58 L 4.4709 7.6115 115.5798 54.6547 42.0666 177.9928 59 L 4.1687 7.6972 122.5173 58.1627 41.9559 177.1171 60 P 4.3183 0.0000 0.0000 65.7243 31.2825 178.4325 61 E 4.0036 8.1523 116.9234 59.1591 29.4720 179.1449 62 F 3.9819 8.3168 118.0199 60.4321 38.9996 177.1229 63 D 4.5353 8.6424 118.0656 57.5426 40.8621 178.5997 64 K 4.0826 7.9214 117.2980 58.9511 32.0988 178.3190 65 A 4.3348 7.7109 118.7254 51.9858 18.8404 177.6384 66 G 3.9128 8.5366 106.1041 45.8308 0.0000 172.9977 67 A 5.5004 8.1624 119.2275 49.8394 22.4993 176.3464 68 K 4.7105 8.9308 117.8841 54.6581 35.9631 175.3922 69 I 4.7138 8.0921 121.2236 59.4789 40.6363 175.2498 70 L 4.7566 8.5861 124.9804 53.0122 45.6570 175.5083 71 G 3.5127 8.8860 111.8042 44.3021 0.0000 172.5081 72 V 4.7440 8.1704 125.2525 61.3502 34.9043 174.5749 73 S 4.3775 8.1875 119.7810 57.3127 66.1182 171.5250 74 R 4.8061 8.1353 119.4100 54.3198 32.2032 175.4009 75 D 4.4897 8.5924 126.7229 55.1275 41.4749 176.4442 76 S 4.6187 8.4664 116.7536 56.0550 65.2607 173.7046 77 V 3.7103 8.6981 127.6705 65.8275 31.8945 176.6199 78 K 4.2303 7.6441 119.0041 56.2146 32.1328 176.5875 *82 N 4.7173 7.8150 117.4192 54.0895 41.1619 175.3906 83 F 4.0959 8.4673 118.7520 61.4639 39.6412 177.0682 84 C 4.3335 8.2803 117.5544 59.5730 43.3983 175.2511 85 A 3.7285 7.8564 120.6406 54.8348 18.0914 179.0929 86 K 3.9190 7.5071 115.1967 58.3414 32.1618 178.8670 87 Q 3.6949 6.8260 118.4111 56.7217 29.6393 176.6082 88 G 3.3960 7.2570 104.5703 45.7742 0.0000 173.5246 89 F 4.4445 6.6533 116.8523 57.3183 39.9268 176.7980 90 A 4.4260 9.5516 126.6043 52.7067 18.3233 177.3118 91 F 5.1151 6.7936 109.8021 53.8275 41.0105 173.2340 92 P 4.5298 0.0000 0.0000 62.9121 32.6290 174.7295 93 L 5.2998 8.4766 122.1440 53.3316 43.8591 176.1028 94 V 4.7818 9.0711 116.0916 59.5877 36.4542 174.2077 95 S 4.9619 8.8025 117.4144 56.8627 64.6318 173.0686 96 D 5.1079 9.2368 129.1150 52.2492 39.4265 176.7080 97 G 3.9861 8.2762 112.2245 47.9509 0.0000 171.8109 98 D 4.7032 7.9708 116.1602 52.1671 39.7574 176.3281 99 E 3.9233 8.4257 117.2716 57.7531 28.0562 176.0453 100 A 3.9706 8.2040 122.6904 55.3580 18.4176 180.2396 101 L 4.0057 8.2224 118.1971 58.4716 42.2472 178.6332 102 C 3.8631 8.9576 117.1071 63.0639 28.0984 176.4777 103 R 3.9230 8.3745 119.5359 59.0261 29.3433 178.9734 104 A 3.9094 7.7002 120.0050 54.7675 18.4793 178.8216 105 F 3.8739 7.8435 112.7011 56.4477 39.7523 175.0411 106 D 4.3140 7.6492 117.2479 55.6217 39.8547 173.9906 107 V 4.1852 7.5614 109.9035 61.3070 33.3255 176.6551 108 I 4.6038 7.5466 122.5612 60.6827 37.5071 175.2737 109 K 4.7485 9.1386 126.3536 54.0668 36.8136 175.1626 110 E 4.5766 8.7069 122.9951 56.2085 30.2717 175.9008 111 K 4.7338 9.6599 126.3366 54.5821 36.8722 174.5290 112 N 4.9739 8.6591 120.8589 52.4232 40.3253 174.1434 113 M 4.2213 9.0814 127.5867 54.3270 32.6289 174.8198 114 Y 3.8795 9.0819 126.3949 58.9783 35.8216 171.9245 115 G 4.0549 8.8570 108.5478 44.9655 0.0000 174.2634 116 K 4.4018 8.0120 121.3957 54.6855 33.3278 174.9989 117 Q 4.7463 8.6057 125.6949 55.9272 29.2994 175.5640 118 V 4.6187 9.1047 117.0090 59.5748 36.5420 174.2489 119 L 5.0427 8.3362 121.1027 53.7719 43.6914 176.3109 120 G 4.1167 8.7445 108.6429 45.6536 0.0000 171.5451 121 I 4.6600 8.2085 120.9658 60.4839 37.9785 175.6114 122 E 4.3228 9.0141 129.6978 54.8557 30.4676 175.6914 123 R 4.3220 8.7967 127.5249 57.6617 31.0477 175.1870 124 S 5.2248 9.0936 120.7396 57.7248 68.2051 173.2486 125 T 5.4161 8.9613 117.5123 62.2510 73.1425 173.1563 126 F 5.6326 9.5551 122.0503 55.9381 44.0578 173.3284 127 L 5.3270 9.3668 124.8078 53.6467 44.0674 174.9221 128 L 5.5338 9.2056 127.0119 52.9867 44.8845 176.7533 129 S 2.9659 8.6674 117.9952 56.2799 64.5629 173.3434 130 P 4.2297 0.0000 0.0000 64.4184 31.0050 177.8687 131 E 4.3064 7.8483 114.8656 56.0028 29.7908 176.5340 132 G 4.1278 8.0764 107.8116 45.1022 0.0000 173.8569 133 Q 4.0675 7.9659 120.0152 55.5859 29.3015 175.6106 134 V 4.5141 8.2719 123.2839 62.3447 30.9775 176.3096 135 V 3.9450 8.7386 121.6843 63.4267 32.4263 176.2858 136 Q 4.5443 7.9767 119.7885 54.7108 32.2703 172.9030 137 A 5.1111 7.8826 125.0638 50.0500 22.9561 175.4204 138 W 5.0464 8.6893 118.5549 55.2356 33.2744 174.7056 139 R 4.8150 8.6006 122.8902 54.1892 33.1836 175.1201 140 K 3.7726 8.6681 120.2782 56.8169 30.6198 175.7292 141 V 3.5108 7.8110 116.9185 63.2986 32.1841 174.7029 142 K 4.3384 8.3688 127.8730 54.7842 32.9453 176.3021 143 V 3.4585 8.4388 126.6611 65.5473 31.7456 175.3069 144 A 4.0643 7.8453 122.6431 53.6519 18.2390 177.4138 145 G 3.8582 8.8428 110.7845 46.7718 0.0000 174.3450 146 H 3.8562 8.2415 119.7988 59.1828 29.8643 176.9452 147 A 3.1641 7.3834 121.9275 55.0498 17.9591 179.1919 148 D 4.1364 7.7403 116.5282 57.3598 40.9201 178.6680 149 A 3.9693 7.7201 121.3339 55.0989 18.3074 179.8890 150 V 3.2965 7.6650 117.0442 65.8553 31.5605 177.9941 151 L 3.5279 7.9707 119.9342 57.9375 41.8486 178.8026 152 A 3.8984 8.1233 120.5434 55.1207 18.2486 179.4707 153 A 4.0785 8.3638 119.4227 55.1003 18.2575 179.5625 154 L 3.6335 7.9511 118.1176 58.3481 42.3891 179.2078 155 K 3.9491 7.9083 118.0585 59.2331 31.6858 179.2742 156 A 3.9948 7.8107 120.4131 55.0023 18.3643 178.6355 157 H 4.4537 7.7461 112.1541 56.7834 29.1869 175.3870 158 A 4.1325 7.2678 128.3308 52.3068 18.1878 177.0894 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 0 A 8.11 4.35 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 1 M 8.60 4.13 0.00 2.19 2.19 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.63 0.00 2 T 8.43 4.42 4.35 0.00 0.00 0.00 0.00 0.00 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 3 D 7.60 4.53 0.00 2.85 2.67 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 0.00 0.00 0.00 0.00 4 A 8.34 4.41 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 5 V 8.40 4.27 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 0.75 0.00 0.00 1.04 0.00 0.00 6 L 7.60 4.67 0.00 1.61 1.54 0.91 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 7 E 8.66 4.64 0.00 1.93 1.81 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 2.20 2.22 0.00 8 L 8.13 4.54 0.00 1.63 1.36 0.49 -0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 9 P 0.00 4.31 0.00 2.14 1.94 0.00 3.46 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 2.03 2.02 0.00 10 A 8.91 4.09 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 11 A 8.09 4.13 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 12 T 8.05 3.84 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 1.02 0.00 0.00 13 F 8.55 4.31 0.00 3.18 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 14 D 7.67 4.89 0.00 2.69 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 15 L 7.67 4.21 0.00 1.60 1.62 0.93 1.37 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 16 P 0.00 4.64 0.00 2.22 2.06 0.00 3.71 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 1.99 2.00 0.00 17 L 8.72 4.77 0.00 1.65 1.53 0.84 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 18 S 8.77 4.81 0.00 3.79 3.78 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 19 L 8.78 4.90 0.00 1.66 1.61 0.93 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 20 S 8.42 4.24 0.00 3.80 3.72 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 21 G 8.57 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 22 G 7.67 3.94 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 0.00 0.00 0.00 23 T 7.58 4.37 4.24 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 1.21 0.00 0.00 24 Q 8.45 5.23 0.00 1.93 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.89 6.83 0.00 0.00 0.00 0.00 0.00 2.26 2.26 0.00 25 T 8.70 4.90 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 1.29 0.00 0.00 26 T 8.16 4.96 4.46 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 1.29 0.00 0.00 27 L 8.61 4.15 0.00 1.59 1.68 0.50 0.61 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 28 R 8.35 4.02 0.00 2.15 2.00 0.00 3.13 0.00 0.00 3.18 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.68 0.00 29 A 7.84 4.12 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 30 H 8.22 4.60 0.00 3.41 3.38 0.00 5.82 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 31 A 7.24 4.26 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 32 G 9.52 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 33 H 7.50 5.12 0.00 3.63 3.45 0.00 5.47 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 W 9.10 4.38 0.00 3.63 3.36 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 35 L 9.19 5.23 0.00 1.83 1.55 0.91 0.67 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 36 V 8.77 4.66 1.62 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 0.53 0.00 0.00 0.86 0.00 0.00 37 I 8.77 4.68 1.76 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.61 0.20 0.00 0.00 38 Y 8.26 5.23 0.00 2.98 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 39 F 9.96 5.33 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 40 Y 8.35 5.34 0.00 3.09 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 41 P 0.00 4.55 0.00 2.51 2.39 0.00 4.00 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.07 0.00 42 K 8.55 4.26 0.00 1.84 1.95 0.00 1.72 0.00 0.00 1.80 0.00 0.00 2.96 0.00 0.00 3.21 0.00 0.00 0.00 0.00 1.47 1.50 7.81 43 D 8.10 4.72 0.00 2.84 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 44 S 7.89 4.55 0.00 3.90 3.83 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 45 T 8.48 4.03 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 1.39 0.00 0.00 46 P 0.00 4.43 0.00 2.19 2.13 0.00 3.66 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.18 0.00 47 G 7.98 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 0.00 0.00 0.00 48 C 8.31 4.23 0.00 3.23 3.36 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 49 T 8.34 4.06 4.53 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 1.40 0.00 0.00 50 T 8.11 3.87 4.24 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 1.18 0.00 0.00 51 E 8.27 3.83 0.00 2.02 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 1.86 2.03 0.00 52 G 7.95 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 0.00 0.00 0.00 53 L 8.08 4.11 0.00 1.74 1.79 1.01 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 54 D 7.75 4.23 0.00 2.47 2.36 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 55 F 7.66 4.21 0.00 2.85 2.45 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 56 N 8.68 4.59 0.00 3.13 3.10 0.00 0.00 7.09 8.35 0.00 0.00 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 8.14 4.10 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 58 L 7.61 4.47 0.00 1.92 1.80 0.93 0.68 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 59 L 7.70 4.17 0.00 1.96 1.82 1.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 60 P 0.00 4.32 0.00 2.23 2.12 0.00 3.77 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 2.15 2.23 0.00 61 E 8.15 4.00 0.00 2.01 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 2.34 2.36 0.00 62 F 8.32 3.98 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 63 D 8.64 4.54 0.00 2.92 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 64 K 7.92 4.08 0.00 1.91 1.86 0.00 1.74 0.00 0.00 1.70 0.00 0.00 3.04 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.49 1.68 7.81 65 A 7.71 4.33 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 66 G 8.54 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 67 A 8.16 5.50 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 68 K 8.93 4.71 0.00 1.72 1.72 0.00 1.58 0.00 0.00 1.66 0.00 0.00 2.90 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.28 0.99 7.81 69 I 8.09 4.71 1.21 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 0.49 0.10 -0.25 0.00 0.00 70 L 8.59 4.76 0.00 1.28 1.23 0.67 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 71 G 8.89 3.51 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 0.00 72 V 8.17 4.74 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 0.00 0.00 0.77 0.00 0.00 0.36 0.00 0.00 73 S 8.19 4.38 0.00 2.72 3.24 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 74 R 8.14 4.81 0.00 1.78 1.72 0.00 3.47 0.00 0.00 3.22 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.62 0.00 75 D 8.59 4.49 0.00 2.62 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 76 S 8.47 4.62 0.00 3.77 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 77 V 8.70 3.71 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 0.88 0.00 0.00 0.94 0.00 0.00 78 K 7.64 4.23 0.00 1.93 1.87 0.00 1.68 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.41 1.44 7.81 *82 N 7.81 4.72 0.00 2.89 2.95 0.00 0.00 6.67 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 83 F 8.47 4.10 0.00 3.07 3.13 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 84 C 8.28 4.33 0.00 3.15 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 85 A 7.86 3.73 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 86 K 7.51 3.92 0.00 1.55 1.66 0.00 1.67 0.00 0.00 1.69 0.00 0.00 3.09 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.38 1.63 7.81 87 Q 6.83 3.69 0.00 0.95 1.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.22 0.00 0.00 0.00 0.00 0.00 2.19 2.35 0.00 88 G 7.26 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 89 F 6.65 4.44 0.00 2.44 1.54 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 90 A 9.55 4.43 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 6.79 5.12 0.00 3.30 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 P 0.00 4.53 0.00 2.19 2.26 0.00 4.03 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 2.17 2.09 0.00 93 L 8.48 5.30 0.00 1.58 1.73 1.05 1.09 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 94 V 9.07 4.78 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 0.85 0.00 0.00 0.87 0.00 0.00 95 S 8.80 4.96 0.00 3.96 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 96 D 9.24 5.11 0.00 2.80 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 97 G 8.28 3.99 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 0.00 0.00 0.00 0.00 0.00 0.00 98 D 7.97 4.70 0.00 2.78 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 99 E 8.43 3.92 0.00 2.24 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 2.21 2.24 0.00 100 A 8.20 3.97 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 101 L 8.22 4.01 0.00 1.83 1.93 1.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 102 C 8.96 3.86 0.00 3.14 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 0.00 103 R 8.37 3.92 0.00 1.97 1.95 0.00 3.11 0.00 0.00 3.16 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.84 0.00 104 A 7.70 3.91 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 0.00 105 F 7.84 3.87 0.00 2.49 2.51 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 0.00 106 D 7.65 4.31 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 0.00 107 V 7.56 4.19 1.94 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 0.44 0.00 0.00 0.53 0.00 0.00 108 I 7.55 4.60 1.84 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.82 0.90 0.00 0.00 109 K 9.14 4.75 0.00 1.59 1.65 0.00 1.68 0.00 0.00 1.58 0.00 0.00 2.97 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.51 1.66 7.81 110 E 8.71 4.58 0.00 1.98 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 2.36 2.34 0.00 111 K 9.66 4.73 0.00 1.63 1.61 0.00 1.70 0.00 0.00 1.57 0.00 0.00 2.77 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.33 1.34 7.81 112 N 8.66 4.97 0.00 2.70 2.68 0.00 0.00 6.75 7.65 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 0.00 113 M 9.08 4.22 0.00 2.09 1.90 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.56 0.00 114 Y 9.08 3.88 0.00 3.18 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 0.00 115 G 8.86 4.05 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 0.00 0.00 0.00 0.00 0.00 0.00 116 K 8.01 4.40 0.00 1.85 1.72 0.00 1.65 0.00 0.00 1.67 0.00 0.00 2.98 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.38 1.41 7.81 117 Q 8.61 4.75 0.00 1.99 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.77 6.57 0.00 0.00 0.00 0.00 0.00 2.37 2.34 0.00 118 V 9.10 4.62 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 0.92 0.00 0.00 0.98 0.00 0.00 119 L 8.34 5.04 0.00 1.51 1.57 0.92 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 0.00 120 G 8.74 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 0.00 121 I 8.21 4.66 1.88 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 1.21 0.58 0.96 0.00 0.00 122 E 9.01 4.32 0.00 1.96 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 2.37 2.28 0.00 123 R 8.80 4.32 0.00 2.03 1.90 0.00 3.39 0.00 0.00 3.56 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.98 0.00 124 S 9.09 5.22 0.00 3.97 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 0.00 125 T 8.96 5.42 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 1.26 0.00 0.00 126 F 9.56 5.63 0.00 3.18 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 0.00 127 L 9.37 5.33 0.00 2.27 1.84 1.28 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 128 L 9.21 5.53 0.00 1.78 1.62 1.22 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 129 S 8.67 2.97 0.00 3.06 3.50 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 0.00 130 P 0.00 4.23 0.00 1.98 2.05 0.00 3.07 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.59 0.00 131 E 7.85 4.31 0.00 1.82 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 2.11 2.14 0.00 132 G 8.08 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 0.00 0.00 0.00 133 Q 7.97 4.07 0.00 2.10 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.95 6.88 0.00 0.00 0.00 0.00 0.00 2.32 2.41 0.00 134 V 8.27 4.51 2.34 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 1.37 0.00 0.00 1.01 0.00 0.00 135 V 8.74 3.94 2.19 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 0.93 0.00 0.00 1.16 0.00 0.00 136 Q 7.98 4.54 0.00 1.95 1.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.80 0.00 0.00 0.00 0.00 0.00 1.16 1.76 0.00 137 A 7.88 5.11 1.18 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 0.00 0.00 138 W 8.69 5.05 0.00 3.21 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 0.00 139 R 8.60 4.82 0.00 1.68 2.02 0.00 3.41 0.00 0.00 3.23 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.59 0.00 140 K 8.67 3.77 0.00 1.85 1.83 0.00 1.81 0.00 0.00 1.65 0.00 0.00 2.89 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.35 1.42 7.81 141 V 7.81 3.51 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 0.40 0.00 0.00 0.91 0.00 0.00 142 K 8.37 4.34 0.00 1.75 1.70 0.00 1.84 0.00 0.00 1.62 0.00 0.00 2.95 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.34 1.40 7.81 143 V 8.44 3.46 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 0.81 0.00 0.00 0.90 0.00 0.00 144 A 7.85 4.06 1.23 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 0.00 0.00 145 G 8.84 3.86 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 0.00 0.00 0.00 146 H 8.24 3.86 0.00 3.31 3.11 0.00 5.80 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 0.00 147 A 7.38 3.16 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 148 D 7.74 4.14 0.00 2.80 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 0.00 149 A 7.72 3.97 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.66 3.30 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 1.09 0.00 0.00 -0.22 0.00 0.00 151 L 7.97 3.53 0.00 1.18 1.53 -0.08 0.86 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 0.00 152 A 8.12 3.90 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 0.00 153 A 8.36 4.08 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 0.00 0.00 0.00 0.00 0.00 154 L 7.95 3.63 0.00 1.66 1.84 0.32 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 155 K 7.91 3.95 0.00 1.91 1.75 0.00 1.60 0.00 0.00 1.55 0.00 0.00 2.82 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.33 1.43 7.81 156 A 7.81 3.99 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 0.00 157 H 7.75 4.45 0.00 2.71 3.48 0.00 5.86 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 0.00 158 A 7.27 4.13 1.16 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 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.