NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 32 Q 4.2828 8.1985 121.7157 56.2535 31.1419 177.2056 33 A 3.9364 7.9187 119.4202 54.5417 18.4034 177.8130 34 A 3.9762 8.8017 120.1941 55.3992 18.9517 178.3779 35 R 3.9364 7.9447 116.1030 59.3481 30.3132 178.8496 36 L 4.0557 8.6561 120.3300 58.0151 41.9662 178.8836 37 A 4.0083 8.4417 121.3161 55.0044 18.3186 179.5587 38 K 3.8988 8.1368 117.8328 59.4840 32.2592 178.9724 39 A 3.9898 8.1770 121.1632 55.2176 18.2856 179.6208 40 L 3.8626 8.1018 117.4276 57.3118 41.4608 179.5765 41 R 3.8485 7.9620 118.3837 59.5038 30.4152 177.9374 42 E 4.2465 8.2460 118.3110 59.5128 29.3647 179.1929 43 L 3.6859 7.8102 120.3219 58.0146 41.8585 179.3011 44 G 3.6827 7.9626 104.6395 47.7142 0.0000 175.2308 45 Q 4.0653 7.9764 119.5908 57.9482 28.5285 178.3912 46 T 3.5608 7.1270 110.9199 62.9579 68.8478 175.7027 47 G 4.0690 7.5893 106.2570 44.9826 0.0000 173.8532 48 W 5.1963 7.6381 116.4128 56.0485 28.9551 173.7477 49 Y 5.3731 7.9902 120.4779 57.1066 38.8451 175.4654 50 W 4.4416 9.5918 126.6625 55.3496 30.7739 177.4752 51 G 3.4778 5.7417 110.4107 47.2234 0.0000 175.7772 52 S 4.5469 8.6490 116.9349 58.4899 62.0338 173.5445 53 M 4.2736 7.4877 120.3314 55.8945 32.5525 176.9151 54 T 4.2364 8.8321 116.8726 61.0473 71.2976 175.7364 55 V 3.5595 8.3572 121.1991 66.6829 31.4327 178.0847 56 N 4.3664 8.0856 115.3572 56.2599 38.4496 177.1480 57 E 3.9423 8.1478 119.5428 59.1997 29.6084 179.2904 58 A 3.7681 8.0107 121.0882 54.8010 18.4804 179.7594 59 K 3.9038 8.0191 119.7768 60.8882 32.3670 179.7676 60 E 3.9558 7.9315 118.5338 60.6700 29.6623 180.6074 61 K 4.1839 7.9646 119.4782 58.4555 32.5469 177.9945 62 L 4.3957 7.5353 117.2860 54.1316 42.1004 178.2299 63 K 3.8221 7.5036 120.6788 59.3554 32.0127 176.8768 64 E 4.4619 7.9313 113.1653 55.7894 30.0481 176.0337 65 A 4.2306 7.5671 122.3849 51.0268 19.3060 176.1878 66 P 4.4393 0.0000 0.0000 61.8336 32.1270 176.0401 67 E 4.2645 8.5899 121.7051 58.1986 29.9573 177.2098 68 G 4.2072 9.2999 114.4436 46.1173 0.0000 173.3800 69 T 5.0404 8.0473 117.6989 63.2787 69.4351 173.6616 70 F 5.5240 8.1073 119.7814 55.3987 42.1558 172.8899 71 L 5.0779 8.9976 118.7900 54.6768 44.5145 174.5535 72 I 5.3625 9.1546 120.1391 59.8567 40.3656 175.1572 73 R 5.2281 8.9800 121.0563 54.5872 33.5946 173.8329 74 D 5.0774 9.1223 119.8409 54.6819 41.4110 176.5564 75 S 4.6928 8.5460 117.3258 57.7239 63.1617 174.2939 76 S 4.4815 8.8597 119.7066 59.0121 63.7767 173.2084 77 H 4.7876 8.2344 122.6335 54.8695 30.8488 175.6813 78 S 4.1757 8.7343 122.8158 62.1268 62.6947 175.4194 79 D 4.4917 8.2958 116.3689 55.3592 40.9373 175.6571 80 Y 4.9073 7.8844 116.4882 56.0875 41.9950 175.1255 81 L 4.4304 8.4942 125.4854 57.4994 43.4080 176.3842 82 L 5.4840 8.0050 116.3142 53.4217 46.7841 175.4599 83 T 5.0724 9.0872 116.5222 62.0498 73.2104 173.1423 84 I 4.7768 8.9903 126.6787 60.5066 38.9997 174.7706 85 S 5.3892 8.7927 123.9195 56.7869 65.0775 173.7469 86 V 4.9230 8.5909 123.7080 59.7116 35.1801 174.3502 87 K 4.5106 9.3509 126.2918 56.5998 33.2661 176.2038 88 T 4.9965 8.5211 117.9437 59.6450 71.5265 175.7020 89 S 4.1708 8.8263 115.5317 60.2282 63.0438 174.6800 90 A 4.4517 7.6660 123.1711 51.7056 19.2323 175.2041 91 G 3.8630 7.8196 104.2336 43.6333 0.0000 171.9597 92 P 4.8940 0.0000 0.0000 62.9310 31.9883 176.0132 93 T 4.7542 9.1207 117.4315 60.4757 71.7257 171.7854 94 N 5.4589 8.6347 120.7609 51.1752 41.8344 173.9466 95 L 4.5701 9.0657 125.1502 53.0676 44.8756 176.0559 96 R 4.4491 8.3982 125.3970 56.2461 31.5683 175.4807 97 I 5.0374 8.7829 122.6194 59.7592 39.7927 175.1462 98 E 4.7275 9.7101 127.1316 56.1742 31.3005 175.4091 99 Y 5.0034 8.6415 125.2753 56.7906 41.8257 174.6964 100 Q 4.1332 8.5713 127.3301 54.9953 32.2721 172.2574 101 D 4.3182 9.2899 118.7216 53.7417 37.1773 173.4917 102 G 3.8084 7.7223 105.1940 46.1953 0.0000 174.0393 103 K 4.8887 7.2214 118.2972 54.2810 35.9997 175.3341 104 F 5.4823 9.7403 123.6013 56.8161 40.9916 175.1078 105 R 5.2282 9.1677 117.9386 54.8148 33.0429 174.4754 106 L 4.4391 8.6936 120.0369 54.4271 42.9882 176.1599 107 D 4.6167 8.7764 121.0057 55.1755 41.6011 177.4468 108 S 4.8862 9.2783 120.3184 59.1661 63.6358 175.5386 109 I 3.9728 8.2935 122.5033 63.8178 37.2273 177.0236 110 I 4.1082 7.8038 119.4752 62.5702 38.0709 175.6527 111 C 4.6530 8.1589 117.5669 57.4236 30.1262 173.3372 112 V 3.8182 8.3233 124.9837 63.3943 31.4584 177.3176 113 K 3.8835 9.1859 132.2114 58.6545 31.6145 176.2193 114 S 4.1907 8.1899 116.7235 61.1798 62.3971 177.6597 115 K 4.5315 8.0817 119.2610 54.5536 31.3852 179.6781 116 L 4.7794 7.4111 120.3203 53.8494 42.8233 176.3725 117 K 4.0268 8.6803 125.1594 55.8191 32.9808 175.6588 118 Q 4.9363 7.9676 124.0175 54.1805 30.9829 175.0821 119 F 4.9715 9.0209 119.6099 55.6146 42.6068 176.1360 120 D 4.4027 9.2034 124.5441 56.4731 41.2939 177.1994 121 S 4.8601 8.2195 113.3734 56.4027 65.2563 174.9570 122 V 3.2397 7.6597 128.7220 64.3021 31.3458 178.7242 123 V 3.3722 7.1544 118.5365 65.7035 31.2586 177.2437 124 H 3.8332 7.5677 118.0618 58.8896 29.8328 176.6895 125 L 2.0000 6.9577 121.8267 57.7019 41.6520 179.1013 126 I 3.5818 7.3662 119.2843 64.4079 37.0059 177.7538 127 D 4.3391 8.2457 119.2236 57.5451 40.9640 177.5400 128 Y 4.0239 8.2463 120.2049 61.2585 38.2174 178.0737 129 Y 3.9435 7.6674 116.9365 60.7200 37.6911 178.4200 130 V 3.4691 7.7672 118.9200 66.1477 31.8398 177.8794 131 Q 4.0819 8.2776 118.0284 58.9811 28.3478 178.1904 132 M 3.8924 7.8473 118.6692 57.6118 32.1207 176.9692 133 C 4.7260 7.3006 111.8509 57.8700 30.2479 173.7065 134 K 4.2712 7.7646 119.1427 57.2729 31.8101 175.6896 *149 H 4.3724 7.8273 118.8372 55.2583 30.6221 171.6022 150 L 3.6934 8.5593 121.2830 55.9937 41.6534 176.4931 151 Y 4.4088 8.4953 127.8301 56.1444 37.6473 172.8220 152 L 4.6543 7.7947 125.3551 52.5740 43.4289 174.8100 153 T 4.3741 8.0764 111.6705 60.8928 71.2772 172.8706 154 K 4.7767 7.6445 117.8541 52.6087 35.3726 173.8504 155 P 3.0245 0.0000 0.0000 62.0514 32.2735 175.8618 156 L 4.4138 7.8919 124.6201 53.7277 42.2764 175.8457 157 Y 4.6942 8.5760 124.8844 57.9455 38.7497 176.5821 158 T 3.1487 8.8644 115.1708 64.0779 69.0080 174.2568 159 S 4.4612 7.3904 113.3124 56.2325 65.9214 172.9390 160 A 3.9127 8.2851 123.7380 51.3290 18.3111 175.9905 161 P 4.3159 0.0000 0.0000 61.9889 32.3186 177.1295 162 S 4.3082 8.2243 115.2787 58.1567 64.9389 175.1415 163 L 3.9224 8.3278 124.3588 58.3213 41.9058 179.0555 164 Q 3.9684 8.0851 117.6112 59.4493 28.6131 178.5469 165 H 4.3408 8.3694 120.2967 58.7516 30.0242 177.1777 166 L 3.9488 8.0526 120.8175 58.0628 41.3651 179.3543 167 C 4.1528 8.4605 116.9558 62.6376 27.9664 175.9640 168 R 3.9006 8.1662 120.2791 59.5430 29.8063 178.2233 169 L 4.0535 7.9393 118.6951 58.4137 41.4525 179.8117 170 T 3.9087 7.5835 113.6555 66.7977 68.7005 176.5107 171 I 3.8620 7.9974 121.7881 64.4563 35.6236 178.2321 172 N 4.3361 8.5457 117.6386 56.2587 38.1148 177.5016 173 K 4.3453 7.8424 118.4080 58.8041 32.1259 178.1869 174 C 4.4699 7.7605 115.9017 60.5607 29.2938 173.6184 175 T 4.4147 6.7359 109.6883 61.2442 70.0151 173.1630 176 G 3.8109 8.4199 113.3910 45.5861 0.0000 174.5042 177 A 2.5800 7.7032 126.1270 50.0265 17.1237 178.1661 178 I 3.5822 6.8726 124.5673 63.0971 37.9933 179.1618 179 W 4.2900 7.8634 116.5130 58.9782 27.9506 176.9016 180 G 3.8000 6.8891 105.7803 45.5822 0.0000 173.7691 181 L 4.2283 7.4245 120.9138 53.6453 42.6035 176.2885 182 P 4.6506 0.0000 0.0000 61.6571 29.7802 175.1924 183 L 4.8685 7.3092 122.0472 51.8612 46.3317 175.6008 184 P 4.4599 0.0000 0.0000 63.1221 33.1798 177.4472 185 T 3.9238 8.5825 116.2718 67.0334 68.4712 176.8555 186 R 3.9813 7.9811 117.3942 59.3806 29.4415 178.7534 187 L 4.1621 7.8686 119.0350 57.0400 41.7166 179.1900 188 K 3.9982 8.1238 118.6948 59.6605 31.8004 178.8293 189 D 4.4044 8.3010 118.2455 57.6453 40.8226 178.0697 190 Y 4.5483 7.9480 120.8563 60.2081 38.9582 178.0869 191 L 3.9785 8.1174 119.8809 57.9439 41.5343 179.3084 192 E 3.9912 8.2501 117.4791 59.5157 29.1823 179.0739 193 E 4.4079 7.8614 118.4758 57.9208 29.5048 175.7816 194 Y 4.4131 7.4889 118.9141 56.5921 39.6826 174.0718 195 K 4.1188 7.2821 124.8239 56.0433 32.6621 177.2809 196 F 4.7064 6.6837 117.7275 56.9489 39.9454 175.5919 197 Q 4.5701 8.7818 120.5022 56.1734 29.2354 176.7508 198 V 4.2991 7.9356 122.8145 61.8487 31.6503 175.3258 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 32 Q 8.20 4.28 0.00 2.11 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.92 6.86 0.00 0.00 0.00 0.00 0.00 2.37 2.38 0.00 33 A 7.92 3.94 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 34 A 8.80 3.98 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 35 R 7.94 3.94 0.00 2.10 2.09 0.00 3.13 0.00 0.00 3.26 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.73 0.00 36 L 8.66 4.06 0.00 1.88 1.89 0.65 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 37 A 8.44 4.01 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 38 K 8.14 3.90 0.00 1.91 2.02 0.00 1.68 0.00 0.00 1.71 0.00 0.00 3.16 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.49 1.49 7.81 39 A 8.18 3.99 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 0.00 0.00 40 L 8.10 3.86 0.00 1.68 1.65 0.89 0.51 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 41 R 7.96 3.85 0.00 1.91 2.12 0.00 3.27 0.00 0.00 3.22 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.69 0.00 42 E 8.25 4.25 0.00 2.17 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 2.46 2.54 0.00 43 L 7.81 3.69 0.00 1.53 1.46 0.58 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.53 0.00 0.00 0.00 0.00 0.00 0.00 44 G 7.96 3.68 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 0.00 0.00 0.00 45 Q 7.98 4.07 0.00 2.42 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.75 0.00 0.00 0.00 0.00 0.00 2.49 2.53 0.00 46 T 7.13 3.56 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 0.51 0.00 0.00 47 G 7.59 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 48 W 7.64 5.20 0.00 3.40 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 49 Y 7.99 5.37 0.00 2.85 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 50 W 9.59 4.44 0.00 3.34 3.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 G 5.74 3.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 S 8.65 4.55 0.00 3.88 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 53 M 7.49 4.27 0.00 2.08 2.29 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.46 0.00 54 T 8.83 4.24 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 1.23 0.00 0.00 55 V 8.36 3.56 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.94 0.00 0.00 56 N 8.09 4.37 0.00 2.76 2.83 0.00 0.00 7.10 7.66 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 57 E 8.15 3.94 0.00 2.20 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 2.33 2.32 0.00 58 A 8.01 3.77 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 K 8.02 3.90 0.00 2.08 2.04 0.00 1.44 0.00 0.00 1.68 0.00 0.00 2.91 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.42 1.33 7.81 60 E 7.93 3.96 0.00 2.11 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 2.26 2.19 0.00 61 K 7.96 4.18 0.00 1.66 1.53 0.00 1.53 0.00 0.00 1.44 0.00 0.00 3.27 0.00 0.00 2.97 0.00 0.00 0.00 0.00 0.80 1.32 7.81 62 L 7.54 4.40 0.00 1.67 1.60 0.86 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 63 K 7.50 3.82 0.00 1.95 1.85 0.00 1.77 0.00 0.00 1.69 0.00 0.00 3.01 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.45 1.58 7.81 64 E 7.93 4.46 0.00 1.96 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 2.21 2.26 0.00 65 A 7.57 4.23 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 66 P 0.00 4.44 0.00 2.21 2.00 0.00 3.60 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.07 0.00 67 E 8.59 4.26 0.00 1.96 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 2.52 2.39 0.00 68 G 9.30 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 0.00 0.00 0.00 0.00 69 T 8.05 5.04 4.23 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 1.13 0.00 0.00 70 F 8.11 5.52 0.00 3.03 2.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 L 9.00 5.08 0.00 1.85 1.63 0.85 0.05 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 72 I 9.15 5.36 2.35 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 1.50 1.17 1.09 0.00 0.00 73 R 8.98 5.23 0.00 2.10 2.13 0.00 3.02 0.00 0.00 3.15 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.68 0.00 74 D 9.12 5.08 0.00 2.63 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 75 S 8.55 4.69 0.00 4.17 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 76 S 8.86 4.48 0.00 4.06 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 77 H 8.23 4.79 0.00 3.29 3.41 0.00 5.61 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 S 8.73 4.18 0.00 3.85 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 79 D 8.30 4.49 0.00 2.39 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 0.00 0.00 0.00 0.00 80 Y 7.88 4.91 0.00 2.99 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 81 L 8.49 4.43 0.00 1.87 1.83 0.99 0.48 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 82 L 8.01 5.48 0.00 1.68 1.56 0.78 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 83 T 9.09 5.07 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 1.18 0.00 0.00 84 I 8.99 4.78 1.88 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.71 0.84 0.00 0.00 85 S 8.79 5.39 0.00 3.71 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 86 V 8.59 4.92 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.00 0.00 0.95 0.00 0.00 87 K 9.35 4.51 0.00 1.84 1.84 0.00 1.47 0.00 0.00 1.91 0.00 0.00 2.97 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.73 1.44 7.81 88 T 8.52 5.00 4.23 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 1.20 0.00 0.00 89 S 8.83 4.17 0.00 3.96 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 90 A 7.67 4.45 1.25 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 0.00 0.00 0.00 91 G 7.82 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 92 P 0.00 4.89 0.00 1.91 1.94 0.00 3.59 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.04 0.00 93 T 9.12 4.75 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 1.17 0.00 0.00 94 N 8.63 5.46 0.00 2.54 2.61 0.00 0.00 6.61 7.85 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 95 L 9.07 4.57 0.00 1.58 1.40 0.84 0.72 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 96 R 8.40 4.45 0.00 1.25 1.19 0.00 2.37 0.00 0.00 2.25 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.36 0.00 97 I 8.78 5.04 2.03 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 1.29 1.02 1.25 0.00 0.00 98 E 9.71 4.73 0.00 2.00 1.91 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 2.53 2.53 0.00 99 Y 8.64 5.00 0.00 2.85 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 0.00 100 Q 8.57 4.13 0.00 1.95 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.94 6.07 0.00 0.00 0.00 0.00 0.00 2.19 2.16 0.00 101 D 9.29 4.32 0.00 2.84 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 0.00 102 G 7.72 3.81 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 0.00 0.00 0.00 103 K 7.22 4.89 0.00 1.67 1.67 0.00 1.66 0.00 0.00 1.81 0.00 0.00 2.83 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.41 1.45 7.81 104 F 9.74 5.48 0.00 3.26 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 0.00 105 R 9.17 5.23 0.00 2.11 2.11 0.00 2.83 0.00 0.00 3.21 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.73 0.00 106 L 8.69 4.44 0.00 1.58 1.62 0.30 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 107 D 8.78 4.62 0.00 2.84 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 0.00 108 S 9.28 4.89 0.00 4.06 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 0.00 109 I 8.29 3.97 2.10 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 1.35 0.62 0.94 0.00 0.00 110 I 7.80 4.11 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 1.36 0.37 0.87 0.00 0.00 111 C 8.16 4.65 0.00 3.03 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 0.00 112 V 8.32 3.82 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 0.97 0.00 0.00 0.95 0.00 0.00 113 K 9.19 3.88 0.00 1.72 1.83 0.00 1.84 0.00 0.00 1.85 0.00 0.00 2.86 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.45 1.04 7.81 114 S 8.19 4.19 0.00 3.62 3.81 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 0.00 115 K 8.08 4.53 0.00 1.77 1.71 0.00 1.76 0.00 0.00 1.70 0.00 0.00 2.90 0.00 0.00 2.66 0.00 0.00 0.00 0.00 1.35 1.27 7.81 116 L 7.41 4.78 0.00 1.86 1.70 1.08 0.92 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 0.00 117 K 8.68 4.03 0.00 1.76 1.39 0.00 1.86 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 2.68 0.00 0.00 0.00 0.00 1.41 1.03 7.81 118 Q 7.97 4.94 0.00 1.94 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.47 0.00 0.00 0.00 0.00 0.00 2.29 2.31 0.00 119 F 9.02 4.97 0.00 3.20 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 0.00 120 D 9.20 4.40 0.00 2.80 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 0.00 121 S 8.22 4.86 0.00 3.99 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 0.00 122 V 7.66 3.24 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 0.12 0.00 0.00 0.54 0.00 0.00 123 V 7.15 3.37 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.55 0.00 0.00 0.58 0.00 0.00 124 H 7.57 3.83 0.00 3.33 3.44 0.00 5.68 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 L 6.96 2.00 0.00 1.01 1.49 1.11 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 126 I 7.37 3.58 2.12 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.07 0.54 0.00 0.00 127 D 8.25 4.34 0.00 2.84 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 0.00 128 Y 8.25 4.02 0.00 2.89 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 0.00 129 Y 7.67 3.94 0.00 3.07 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 0.00 130 V 7.77 3.47 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 0.72 0.00 0.00 131 Q 8.28 4.08 0.00 1.99 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.56 0.00 0.00 0.00 0.00 0.00 2.62 2.53 0.00 132 M 7.85 3.89 0.00 1.81 1.58 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.43 0.00 133 C 7.30 4.73 0.00 3.28 3.04 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 0.00 0.00 0.00 0.00 134 K 7.76 4.27 0.00 1.92 1.84 0.00 1.73 0.00 0.00 1.63 0.00 0.00 2.98 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.39 1.46 7.81 *149 H 7.83 4.37 0.00 3.17 3.39 0.00 5.95 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 150 L 8.56 3.69 0.00 1.40 1.45 0.79 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 151 Y 8.50 4.41 0.00 3.01 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 0.00 152 L 7.79 4.65 0.00 1.25 0.77 0.30 0.46 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 0.00 153 T 8.08 4.37 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 0.67 0.00 0.00 154 K 7.64 4.78 0.00 1.57 1.62 0.00 1.68 0.00 0.00 1.87 0.00 0.00 2.91 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.38 1.32 7.81 155 P 0.00 3.02 0.00 0.82 0.49 0.00 3.48 0.00 0.00 3.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 1.40 0.00 156 L 7.89 4.41 0.00 1.47 1.65 0.91 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 157 Y 8.58 4.69 0.00 3.12 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 0.00 158 T 8.86 3.15 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 -0.32 0.00 0.00 159 S 7.39 4.46 0.00 3.88 3.77 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 0.00 160 A 8.29 3.91 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 161 P 0.00 4.32 0.00 1.88 1.86 0.00 3.32 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 1.26 0.95 0.00 162 S 8.22 4.31 0.00 4.02 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 0.00 163 L 8.33 3.92 0.00 1.75 1.67 0.90 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 164 Q 8.09 3.97 0.00 2.07 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.69 0.00 0.00 0.00 0.00 0.00 2.29 2.31 0.00 165 H 8.37 4.34 0.00 3.27 3.43 0.00 5.83 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 166 L 8.05 3.95 0.00 1.87 1.69 0.86 0.73 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 0.00 167 C 8.46 4.15 0.00 3.15 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 0.00 168 R 8.17 3.90 0.00 2.01 2.11 0.00 3.10 0.00 0.00 2.65 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.66 0.00 169 L 7.94 4.05 0.00 1.92 1.81 1.07 0.93 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 0.00 170 T 7.58 3.91 4.41 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 1.22 0.00 0.00 171 I 8.00 3.86 2.00 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 1.51 0.75 0.88 0.00 0.00 172 N 8.55 4.34 0.00 2.94 2.99 0.00 0.00 7.04 8.12 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 0.00 173 K 7.84 4.35 0.00 1.97 1.90 0.00 1.72 0.00 0.00 1.74 0.00 0.00 3.26 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.69 1.75 7.81 174 C 7.76 4.47 0.00 3.08 2.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175 T 6.74 4.41 4.15 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 1.09 0.00 0.00 176 G 8.42 3.81 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 0.00 0.00 0.00 177 A 7.70 2.58 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 178 I 6.87 3.58 1.91 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 1.54 0.99 0.94 0.00 0.00 179 W 7.86 4.29 0.00 3.39 3.38 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 0.00 180 G 6.89 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 0.00 181 L 7.42 4.23 0.00 1.73 1.57 0.85 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 182 P 0.00 4.65 0.00 2.17 2.08 0.00 3.68 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 1.97 0.00 183 L 7.31 4.87 0.00 1.61 1.56 0.93 1.13 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 0.00 184 P 0.00 4.46 0.00 2.26 2.18 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 2.07 2.05 0.00 185 T 8.58 3.92 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 186 R 7.98 3.98 0.00 2.04 2.20 0.00 2.94 0.00 0.00 3.33 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.72 0.00 187 L 7.87 4.16 0.00 1.84 1.78 0.89 0.70 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 0.00 188 K 8.12 4.00 0.00 2.01 1.92 0.00 1.73 0.00 0.00 1.72 0.00 0.00 3.05 0.00 0.00 3.29 0.00 0.00 0.00 0.00 1.49 1.69 7.81 189 D 8.30 4.40 0.00 2.89 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 0.00 190 Y 7.95 4.55 0.00 3.02 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 0.00 191 L 8.12 3.98 0.00 1.94 1.69 0.93 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 192 E 8.25 3.99 0.00 2.15 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 0.00 2.48 2.55 0.00 193 E 7.86 4.41 0.00 1.99 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 2.34 2.63 0.00 194 Y 7.49 4.41 0.00 2.83 2.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 195 K 7.28 4.12 0.00 1.30 1.51 0.00 1.91 0.00 0.00 1.70 0.00 0.00 2.71 0.00 0.00 2.67 0.00 0.00 0.00 0.00 1.39 1.02 7.81 196 F 6.68 4.71 0.00 2.90 2.98 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 0.00 197 Q 8.78 4.57 0.00 2.29 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.74 0.00 0.00 0.00 0.00 0.00 2.51 2.37 0.00 198 V 7.94 4.30 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 1.05 0.00 0.00 1.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.