NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 22 C 4.6482 8.4544 118.1639 56.6431 43.0155 172.5995 23 E 4.1345 8.2522 123.2720 54.8106 30.0761 175.3110 24 Q 4.2548 8.8837 124.6330 56.6272 29.5038 173.6324 25 G 4.4040 8.8578 109.4270 45.8049 0.0000 174.3821 26 V 4.3891 7.5391 111.3884 62.1912 36.0945 175.6222 27 S 5.3740 8.3443 111.8864 57.3224 66.4417 172.5798 28 Y 4.9937 8.8622 118.0568 55.2633 41.9877 173.4974 29 Y 4.4449 8.6420 121.3434 56.9012 40.5821 173.8297 30 N 4.7910 8.0013 126.5141 51.6584 38.3410 175.1137 31 S 3.9884 8.3058 122.6338 61.3739 63.1907 176.3783 32 Q 4.1242 8.0314 117.9092 57.8052 28.7746 176.3561 33 E 4.2934 8.2383 114.7355 55.2040 30.4170 175.4870 34 L 3.6216 7.4942 117.6596 53.4527 39.8309 173.1978 35 K 4.5216 6.7382 114.6989 56.4486 36.0117 175.8843 36 C 4.9025 8.6833 118.0575 56.6498 41.0163 174.1194 37 C 5.1755 8.4485 119.0068 54.5711 44.0563 173.8652 38 K 4.6580 9.1708 121.9338 57.0254 32.2218 176.8322 39 L 4.7043 8.7627 124.1814 54.1574 43.6103 175.5177 40 C 4.8085 9.1884 119.5350 55.7719 40.6284 173.9089 41 K 3.2327 8.4530 122.4172 55.4150 33.7467 174.6609 42 P 4.3559 0.0000 0.0000 64.6890 31.7998 177.0449 43 G 4.0243 9.6298 110.7949 45.3012 0.0000 172.8206 44 T 5.2660 7.5424 108.3324 60.0114 72.0996 171.9181 45 Y 4.9985 8.0646 118.9419 55.1560 42.2931 174.2689 46 S 4.1884 9.0125 115.5407 58.3786 61.8467 173.1331 47 D 4.3129 8.5818 128.9024 56.7313 41.9165 176.5500 48 H 4.8357 7.6943 114.9153 53.8298 32.7732 173.7507 49 R 4.5043 8.7345 122.4677 56.1486 30.8293 175.3980 50 C 4.7738 8.6907 115.8697 55.7941 43.0236 172.3646 51 D 4.6167 8.8209 120.9492 52.7077 42.0032 175.4090 52 K 4.0004 8.2554 122.4185 59.0803 31.7934 174.5864 *53 Y 4.1468 8.0576 116.9754 58.9347 37.1783 177.1971 54 S 4.7644 9.3356 115.1227 55.9243 66.0322 172.3706 55 D 4.9166 8.1692 120.7635 52.8330 42.7969 175.4628 56 T 4.1597 8.4613 116.5620 64.4311 69.2341 173.9794 57 I 4.3739 8.7939 126.1152 59.9204 39.4570 173.7967 58 C 4.9596 8.7876 124.9783 55.1665 43.1539 173.7291 59 G 4.0200 7.7247 110.6341 44.4451 0.0000 172.7052 60 H 5.1038 8.6073 118.4300 55.5621 29.5797 176.2635 61 C 4.7621 8.9426 120.6228 56.3572 38.8650 172.2960 62 P 4.5540 0.0000 0.0000 61.9107 31.9185 175.5092 63 S 4.0234 8.4116 113.2613 60.2006 62.6980 173.4418 64 D 4.5757 9.0025 123.9262 55.2938 38.2862 173.0004 65 T 5.4522 7.5097 108.2420 60.4553 72.8643 172.1486 66 F 5.3547 8.8013 116.1190 56.4154 42.1390 173.1163 67 T 4.8817 9.0115 109.6404 60.4169 71.4799 174.5358 68 S 4.9388 9.2773 119.5490 58.1403 64.1572 173.1518 69 I 4.8891 7.2777 113.2840 59.1160 41.0813 174.3927 70 Y 4.2808 8.8708 120.9747 58.2538 38.4034 175.1329 71 N 5.0963 9.5091 121.1205 51.3821 41.7325 174.6324 72 R 4.5586 8.2434 113.8293 55.7317 31.9971 176.5639 73 S 4.1322 8.1335 117.0001 58.3042 63.2044 173.8967 74 P 4.4410 0.0000 0.0000 64.5862 31.5945 175.9903 75 W 4.6578 7.2353 116.4930 55.3076 32.9820 174.5514 76 C 4.4547 8.0834 117.4599 56.8259 40.5839 172.9927 77 H 4.6773 8.1691 118.3921 54.8732 29.8350 175.4269 78 S 4.5571 8.5534 118.7280 58.9027 63.3825 174.8450 79 C 5.0826 8.9310 122.1142 56.3850 40.7931 174.2011 80 R 4.1506 8.8777 119.3911 55.7354 29.6490 176.7124 81 G 3.8436 8.3179 108.8096 44.3476 0.0000 171.2563 82 P 4.3082 0.0000 0.0000 63.0819 31.7808 177.7903 83 C 4.2414 8.7071 119.3777 60.9763 39.9031 173.1860 84 G 3.6868 8.0989 102.7705 44.2373 0.0000 174.6179 85 T 3.9020 8.4705 115.2054 66.5405 68.3883 175.4526 86 N 4.8126 8.0190 115.9190 52.6553 37.4784 174.4811 87 R 4.8472 7.4815 115.1200 54.8342 34.2880 174.4311 88 V 4.3146 8.7627 119.7642 61.2692 34.4600 174.6565 89 E 4.4591 8.6769 128.8475 55.4266 28.3819 176.6127 90 V 3.7270 8.2881 119.5624 63.2968 32.8547 176.4970 91 T 4.6405 7.6234 117.0318 60.8241 71.6859 172.4579 92 P 5.0472 0.0000 0.0000 61.7840 32.9943 176.4533 93 C 4.7690 8.5797 121.2060 56.3097 45.1153 172.5095 94 T 4.8219 8.9795 116.2646 58.7902 71.9012 173.0815 95 P 4.5523 0.0000 0.0000 64.3975 31.3221 178.0027 96 T 5.2157 7.8265 105.1295 60.5750 69.9769 174.3233 97 T 4.3768 7.9099 113.2862 59.5968 71.3917 172.9883 98 N 3.9664 7.5141 123.3943 52.6789 39.9675 174.2087 99 R 4.2541 8.2512 123.9194 56.3598 31.1034 175.5050 100 I 4.5427 8.8173 126.8293 59.6598 40.5185 173.5938 101 C 5.1707 10.0358 124.9950 55.6181 40.8335 172.9322 102 H 5.3925 9.1312 120.5678 53.7775 32.2515 172.9518 103 C 4.9131 8.6166 117.1742 56.6691 41.1931 173.5713 104 D 4.6525 8.5118 121.2383 52.5798 40.0412 177.1647 105 S 4.3092 8.5148 113.0204 60.2457 62.9563 174.4772 106 N 4.7349 8.4000 118.4156 53.6446 38.9476 174.0749 107 S 5.3496 7.9766 113.6703 56.7506 67.2955 172.4712 108 Y 4.9333 8.3418 118.4436 55.3123 41.6685 173.5466 109 C 4.8934 8.9096 120.5737 56.4387 43.9837 173.1257 110 L 4.3447 9.4685 126.6236 55.7317 42.9711 176.6610 111 L 4.4618 7.6717 120.9571 53.8613 44.7223 174.8524 112 K 4.9504 8.7150 125.6460 55.1198 34.2140 176.3534 113 A 4.6167 9.0477 125.4413 50.6444 20.3092 178.8341 114 S 4.0835 8.8008 113.9251 61.0860 63.0379 175.0415 115 D 4.5869 8.0745 118.2499 53.1385 39.4417 177.0872 116 G 3.9712 8.0977 109.2296 45.2559 0.0000 173.7752 117 N 4.4936 8.1253 119.4708 53.7103 39.3920 172.4905 118 C 4.7092 8.8918 126.9435 56.1984 44.0017 173.2852 119 V 3.8946 8.7741 127.0258 65.1082 32.1872 176.1272 120 T 4.5522 7.7364 117.4044 61.9906 71.4678 173.8067 121 C 4.9716 8.8150 123.6786 55.3993 40.5439 173.2353 122 A 4.7494 8.3364 123.5244 49.0260 22.0274 173.9004 123 P 4.7194 0.0000 0.0000 62.5333 32.1586 176.5403 124 K 4.6624 9.2130 123.0046 56.5560 32.8127 177.3397 125 T 3.9229 9.1107 121.3627 63.7063 68.9447 173.8743 126 K 4.4011 8.3586 126.9025 55.1093 33.4273 176.8392 127 C 4.4046 8.6475 123.8522 56.5634 41.8075 173.9484 128 G 3.9337 8.3125 112.7600 44.5740 0.0000 172.7568 129 R 4.2209 8.3127 118.6580 57.6340 30.5001 177.7740 130 G 3.8601 9.2793 110.4690 45.3358 0.0000 172.1277 131 Y 5.0823 7.7678 115.9987 56.2752 41.4303 174.4969 132 G 4.3164 8.9397 107.8007 44.5620 0.0000 172.1122 133 K 4.5181 8.6671 122.0806 56.6729 31.9916 176.2392 134 K 4.2916 10.1854 129.2042 55.6819 33.8920 176.8536 135 G 3.9609 6.7865 105.3222 45.9058 0.0000 170.5397 136 E 5.0480 8.1588 119.0264 54.5209 33.3883 175.1199 137 D 4.6604 8.7016 121.8074 51.9602 40.8006 177.0294 138 E 3.9755 8.5795 119.7209 58.9344 29.4681 177.0725 139 M 4.0591 7.9671 116.1900 56.2005 32.6123 176.4960 140 G 3.9664 8.3967 106.6865 45.2072 0.0000 172.9599 141 N 4.6289 7.9478 118.6831 52.6469 40.6223 174.3993 142 T 4.4768 8.3995 120.0625 63.7363 69.5993 173.8676 143 I 4.3843 8.9303 127.0233 59.9340 39.2718 173.9460 144 C 5.4382 8.7877 124.9767 55.2809 40.9068 173.3105 145 K 4.9634 9.0976 121.7017 54.7092 35.8421 175.1768 146 K 4.1228 8.6639 122.7659 56.4497 32.9676 175.9356 147 C 4.4500 8.8374 127.7164 59.6164 29.2679 174.7914 148 R 4.0991 8.4149 120.1267 56.4766 29.1574 174.5038 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 22 C 8.45 4.65 0.00 3.02 3.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 E 8.25 4.13 0.00 1.98 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 2.23 2.29 0.00 24 Q 8.88 4.25 0.00 2.02 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.11 0.00 0.00 0.00 0.00 0.00 2.37 1.94 0.00 25 G 8.86 4.40 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 26 V 7.54 4.39 2.16 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 0.61 0.00 0.00 0.91 0.00 0.00 27 S 8.34 5.37 0.00 3.87 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 28 Y 8.86 4.99 0.00 3.12 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 29 Y 8.64 4.44 0.00 3.08 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 30 N 8.00 4.79 0.00 2.33 2.45 0.00 0.00 6.75 7.00 0.00 0.00 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 S 8.31 3.99 0.00 3.90 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 32 Q 8.03 4.12 0.00 2.13 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.85 0.00 0.00 0.00 0.00 0.00 2.34 2.35 0.00 33 E 8.24 4.29 0.00 1.82 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 2.41 2.33 0.00 34 L 7.49 3.62 0.00 1.80 1.77 0.94 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 35 K 6.74 4.52 0.00 1.73 1.83 0.00 1.43 0.00 0.00 1.76 0.00 0.00 2.90 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.22 1.29 7.81 36 C 8.68 4.90 0.00 2.84 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 37 C 8.45 5.18 0.00 2.12 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 38 K 9.17 4.66 0.00 1.68 1.82 0.00 1.80 0.00 0.00 1.73 0.00 0.00 2.81 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.51 1.52 7.81 39 L 8.76 4.70 0.00 1.83 1.78 0.96 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 40 C 9.19 4.81 0.00 2.86 2.91 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 41 K 8.45 3.23 0.00 1.30 1.76 0.00 1.51 0.00 0.00 1.84 0.00 0.00 2.80 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.41 1.35 7.81 42 P 0.00 4.36 0.00 1.98 2.14 0.00 2.88 0.00 0.00 2.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.94 0.00 43 G 9.63 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 0.00 0.00 0.00 44 T 7.54 5.27 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 1.23 0.00 0.00 45 Y 8.06 5.00 0.00 3.11 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 46 S 9.01 4.19 0.00 3.74 3.85 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 47 D 8.58 4.31 0.00 2.23 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 48 H 7.69 4.84 0.00 3.00 3.07 0.00 5.68 0.00 0.00 0.00 0.00 6.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 R 8.73 4.50 0.00 1.69 1.89 0.00 3.19 0.00 0.00 3.27 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.58 0.00 50 C 8.69 4.77 0.00 3.12 3.17 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 0.00 51 D 8.82 4.62 0.00 2.69 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 52 K 8.26 4.00 0.00 1.76 1.78 0.00 1.81 0.00 0.00 1.74 0.00 0.00 2.76 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.40 1.27 7.81 *53 Y 8.06 4.15 0.00 2.33 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 0.00 0.00 0.00 0.00 54 S 9.34 4.76 0.00 3.82 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 55 D 8.17 4.92 0.00 2.69 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 56 T 8.46 4.16 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 1.23 0.00 0.00 57 I 8.79 4.37 1.89 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.81 0.89 0.00 0.00 58 C 8.79 4.96 0.00 2.74 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 59 G 7.72 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 0.00 0.00 0.00 60 H 8.61 5.10 0.00 3.09 3.28 0.00 5.73 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 C 8.94 4.76 0.00 2.94 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 62 P 0.00 4.55 0.00 2.20 2.19 0.00 3.68 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 2.01 1.87 0.00 63 S 8.41 4.02 0.00 3.86 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 64 D 9.00 4.58 0.00 2.96 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 65 T 7.51 5.45 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 1.18 0.00 0.00 66 F 8.80 5.35 0.00 3.32 3.25 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 67 T 9.01 4.88 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 1.12 0.00 0.00 68 S 9.28 4.94 0.00 4.09 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 0.00 69 I 7.28 4.89 1.98 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 1.41 0.78 0.99 0.00 0.00 70 Y 8.87 4.28 0.00 2.90 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 71 N 9.51 5.10 0.00 2.75 2.99 0.00 0.00 6.35 7.67 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 72 R 8.24 4.56 0.00 1.46 1.67 0.00 2.57 0.00 0.00 2.25 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 1.08 0.00 73 S 8.13 4.13 0.00 3.94 3.82 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 74 P 0.00 4.44 0.00 1.57 1.90 0.00 3.70 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.91 0.00 75 W 7.24 4.66 0.00 3.07 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 76 C 8.08 4.45 0.00 2.73 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 77 H 8.17 4.68 0.00 1.94 2.94 0.00 5.62 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 S 8.55 4.56 0.00 3.79 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 79 C 8.93 5.08 0.00 3.04 3.05 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 80 R 8.88 4.15 0.00 1.94 1.96 0.00 3.14 0.00 0.00 3.23 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.57 0.00 81 G 8.32 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 82 P 0.00 4.31 0.00 2.04 2.02 0.00 3.68 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.13 0.00 83 C 8.71 4.24 0.00 2.95 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 G 8.10 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 0.00 0.00 0.00 85 T 8.47 3.90 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 86 N 8.02 4.81 0.00 2.80 2.88 0.00 0.00 5.78 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 87 R 7.48 4.85 0.00 1.78 1.81 0.00 3.14 0.00 0.00 3.13 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.72 0.00 88 V 8.76 4.31 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 1.00 0.00 0.00 0.93 0.00 0.00 89 E 8.68 4.46 0.00 2.07 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 2.41 2.30 0.00 90 V 8.29 3.73 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 0.66 0.00 0.00 0.64 0.00 0.00 91 T 7.62 4.64 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 1.14 0.00 0.00 92 P 0.00 5.05 0.00 2.05 2.12 0.00 3.32 0.00 0.00 2.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.78 0.00 93 C 8.58 4.77 0.00 2.98 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 94 T 8.98 4.82 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 1.25 0.00 0.00 95 P 0.00 4.55 0.00 2.21 2.19 0.00 3.84 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 96 T 7.83 5.22 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 1.23 0.00 0.00 97 T 7.91 4.38 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 1.17 0.00 0.00 98 N 7.51 3.97 0.00 1.44 2.25 0.00 0.00 7.07 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 99 R 8.25 4.25 0.00 1.81 1.77 0.00 3.51 0.00 0.00 3.23 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.62 0.00 100 I 8.82 4.54 1.78 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 1.29 1.08 0.87 0.00 0.00 101 C 10.04 5.17 0.00 2.93 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 0.00 102 H 9.13 5.39 0.00 3.00 3.16 0.00 5.63 0.00 0.00 0.00 0.00 6.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 C 8.62 4.91 0.00 2.84 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 0.00 104 D 8.51 4.65 0.00 2.90 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 0.00 105 S 8.51 4.31 0.00 4.01 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 0.00 106 N 8.40 4.73 0.00 2.99 2.88 0.00 0.00 6.64 7.59 0.00 0.00 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 S 7.98 5.35 0.00 3.64 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 0.00 108 Y 8.34 4.93 0.00 3.08 3.17 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 0.00 109 C 8.91 4.89 0.00 3.00 3.05 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 0.00 110 L 9.47 4.34 0.00 1.54 1.71 0.89 0.97 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 0.00 111 L 7.67 4.46 0.00 1.72 1.47 0.93 0.90 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 0.00 112 K 8.71 4.95 0.00 1.68 1.71 0.00 1.79 0.00 0.00 1.70 0.00 0.00 2.68 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.37 1.44 7.81 113 A 9.05 4.62 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 0.00 114 S 8.80 4.08 0.00 4.00 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 D 8.07 4.59 0.00 2.80 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 0.00 116 G 8.10 3.97 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 0.00 0.00 0.00 117 N 8.13 4.49 0.00 2.88 2.72 0.00 0.00 6.67 8.64 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 0.00 118 C 8.89 4.71 0.00 2.97 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 0.00 119 V 8.77 3.89 2.18 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 0.80 0.00 0.00 0.93 0.00 0.00 120 T 7.74 4.55 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 1.17 0.00 0.00 121 C 8.82 4.97 0.00 2.76 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 0.00 122 A 8.34 4.75 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 P 0.00 4.72 0.00 2.08 2.03 0.00 3.67 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.97 0.00 124 K 9.21 4.66 0.00 1.77 1.86 0.00 1.76 0.00 0.00 1.76 0.00 0.00 3.27 0.00 0.00 3.24 0.00 0.00 0.00 0.00 1.67 1.58 7.81 125 T 9.11 3.92 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 1.19 0.00 0.00 126 K 8.36 4.40 0.00 1.72 1.70 0.00 1.78 0.00 0.00 1.71 0.00 0.00 2.99 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.39 1.46 7.81 127 C 8.65 4.40 0.00 3.06 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 0.00 128 G 8.31 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 0.00 129 R 8.31 4.22 0.00 1.86 1.91 0.00 3.40 0.00 0.00 3.26 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.60 0.00 130 G 9.28 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 0.00 131 Y 7.77 5.08 0.00 3.19 2.83 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 0.00 132 G 8.94 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 0.00 0.00 0.00 0.00 133 K 8.67 4.52 0.00 1.80 1.75 0.00 1.77 0.00 0.00 1.64 0.00 0.00 2.67 0.00 0.00 3.21 0.00 0.00 0.00 0.00 1.43 1.45 7.81 134 K 10.19 4.29 0.00 1.78 1.95 0.00 2.03 0.00 0.00 1.72 0.00 0.00 2.91 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.37 1.38 7.81 135 G 6.79 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 0.00 0.00 0.00 136 E 8.16 5.05 0.00 1.89 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 2.19 2.25 0.00 137 D 8.70 4.66 0.00 2.71 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 0.00 138 E 8.58 3.98 0.00 1.92 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.29 0.00 139 M 7.97 4.06 0.00 1.84 1.93 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.24 0.00 140 G 8.40 3.97 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 0.00 0.00 0.00 141 N 7.95 4.63 0.00 2.01 2.46 0.00 0.00 7.19 6.83 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 0.00 142 T 8.40 4.48 4.37 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 1.22 0.00 0.00 143 I 8.93 4.38 1.96 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 1.19 0.97 0.90 0.00 0.00 144 C 8.79 5.44 0.00 2.75 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 0.00 145 K 9.10 4.96 0.00 1.80 1.91 0.00 1.32 0.00 0.00 1.59 0.00 0.00 2.79 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.52 1.38 7.81 146 K 8.66 4.12 0.00 1.70 1.62 0.00 1.54 0.00 0.00 1.55 0.00 0.00 2.78 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.07 0.56 7.81 147 C 8.84 4.45 0.00 2.83 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 0.00 148 R 8.41 4.10 0.00 1.83 1.69 0.00 3.30 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.19 0.00 * Residues marked with a * may have inaccurate shift predictions.