NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.9277 8.3049 118.3830 55.3313 32.8756 174.2783 2 I 4.5311 8.1948 120.8040 59.2345 40.9136 173.3452 3 I 4.5779 8.3227 125.5981 59.7445 40.5626 173.5141 4 S 4.0289 7.8684 126.4093 57.1910 66.7276 172.5067 5 S 4.8935 8.1348 110.1181 56.9711 65.1101 175.3930 6 L 3.5620 8.7070 126.6131 56.3422 41.5122 177.5205 7 T 4.4833 7.4071 111.3869 61.4996 68.5882 173.4794 8 N 4.7389 8.0477 119.7597 52.7631 39.1594 174.5300 9 P 4.4190 0.0000 0.0000 65.0735 31.7409 176.6865 10 N 4.8270 8.0723 115.2944 52.6554 39.0812 176.2106 11 F 4.3359 8.0971 115.5038 59.9550 38.0649 176.8887 12 K 3.9295 6.9902 119.2334 57.6614 31.9964 176.5589 13 V 3.7980 7.6998 120.3876 64.2297 31.3101 176.2041 14 G 4.0089 8.9629 115.8684 45.2659 0.0000 172.8932 15 L 4.3237 7.6924 120.3708 53.4115 42.5284 175.8477 16 P 4.3990 0.0000 0.0000 62.6267 33.1229 177.4930 17 K 3.9119 8.7506 121.4532 59.8379 32.1242 179.9398 18 V 3.9076 7.7232 119.9828 64.4732 31.1706 178.3269 19 I 3.7188 7.7686 119.6863 63.9221 36.9293 178.0638 20 A 4.1173 7.9803 121.8077 55.2282 17.6729 179.5880 21 E 3.9590 8.6032 117.5515 59.5605 29.4344 179.9946 22 V 3.7616 7.9645 112.6239 64.4705 31.5455 178.4716 23 C 3.9506 8.2706 116.6873 62.7073 27.9984 175.5047 24 D 4.5161 8.4707 120.8123 57.8095 40.2119 178.6316 25 Y 4.1317 7.6154 118.0911 60.8108 39.1976 177.4314 26 L 3.8202 8.2732 120.2694 57.8742 41.4217 179.3509 27 N 4.3778 7.9838 115.5998 56.1886 38.5509 177.0115 28 T 4.0287 7.5310 115.3475 64.0773 68.6746 173.8960 29 L 4.5515 6.8218 120.3397 52.4636 44.4535 175.8336 30 D 4.5585 8.2182 120.1881 53.3082 40.9497 177.0021 31 L 4.1262 8.3351 128.1746 57.4662 42.1552 179.5000 32 N 4.3126 8.2291 114.8578 55.9712 38.5749 175.6384 33 A 4.2332 7.4373 117.4425 52.4641 18.8644 177.2031 34 L 4.1022 7.4848 119.3641 54.3008 42.6365 176.5986 35 E 4.1361 8.7100 125.8617 56.1361 30.0507 176.6978 36 N 4.4922 8.5755 121.0694 54.3867 39.5720 173.4902 37 G 3.6631 8.4994 106.7250 44.0155 0.0000 171.7005 38 R 4.9022 8.4269 120.2814 55.7605 30.9488 176.2620 39 H 5.0542 9.2966 123.8289 54.1722 31.7324 173.0458 40 D 4.9324 8.7141 122.2491 53.7028 41.6085 176.1946 41 I 3.9065 8.8816 125.5645 62.7126 37.9131 176.4927 42 N 5.0263 7.4295 116.4748 51.1857 41.4280 174.0807 43 D 4.4647 8.6850 117.3155 57.2133 41.3241 177.0806 44 Q 4.5904 8.0161 115.3698 55.7724 30.2753 175.1611 45 I 5.0621 7.5079 118.5604 59.8024 41.0896 173.9738 46 Y 5.5026 7.9140 121.0704 56.4719 42.0058 173.0063 47 M 5.1257 9.8081 116.1960 53.8032 35.4500 173.5748 48 N 5.4777 8.8881 118.1549 51.7387 41.1566 174.1721 49 V 5.0838 8.9551 124.1419 60.2596 34.2769 174.6938 50 M 4.9793 9.0103 119.8705 54.0212 35.0249 173.5461 51 E 5.9800 8.6194 118.0859 52.8775 28.9293 174.9649 52 P 4.5936 0.0000 0.0000 62.3724 31.6038 176.8621 *61 K 4.1195 8.3612 116.9560 56.4499 33.9509 175.8104 62 A 4.5606 8.4039 122.8950 51.5979 20.1583 176.3788 63 E 5.4172 8.9801 117.7741 54.6516 33.5318 174.4652 64 L 4.8479 8.7936 120.1348 54.9287 44.7770 174.1375 65 H 5.4777 8.4851 114.8233 54.8961 32.6988 174.0261 66 H 4.0350 9.5601 116.4726 57.0746 30.2217 175.8083 67 E 4.4579 9.1357 116.5707 56.8175 31.3627 175.3916 68 Y 5.1501 8.3432 117.4274 55.9376 40.6066 175.5047 69 L 4.8350 9.0404 123.1658 54.7913 43.4541 174.8629 70 D 5.2740 8.7189 120.1077 53.1120 43.1592 175.7665 71 V 4.5783 8.5407 122.9964 61.4107 33.7831 174.0889 72 Q 5.1150 8.8548 128.4244 54.2101 30.8275 175.2980 73 V 4.9140 8.6411 123.5079 59.7387 34.5417 174.1895 74 L 4.6416 8.4705 125.4114 54.4166 43.0597 176.4607 75 I 4.3682 8.7169 127.0657 62.6331 38.9616 176.2382 76 R 4.4251 7.6437 120.5605 55.7563 33.4331 175.2123 77 G 4.0932 10.6057 110.7386 45.2612 0.0000 172.6080 78 T 4.7080 7.8753 116.1388 62.7074 72.8110 173.0064 79 E 4.7094 8.9479 126.4882 54.5535 33.6863 173.7288 80 N 5.2648 8.6881 123.4294 52.4580 40.7513 174.1754 81 I 5.0558 9.0841 123.3113 59.5966 41.4790 174.1297 82 E 4.8673 8.6945 126.0088 55.2834 31.3515 175.7362 83 V 4.6798 8.5172 116.6431 59.3781 36.5878 174.5061 84 G 4.4196 8.2937 109.0662 44.6046 0.0000 173.4159 85 A 4.4774 9.1255 128.4876 54.6122 19.1902 177.9912 86 T 4.2661 7.7819 105.3510 61.0527 69.7983 173.8710 87 Y 3.9891 8.5722 125.7989 56.9398 39.3633 174.0239 88 P 4.3811 0.0000 0.0000 62.1748 32.2358 175.7052 89 N 4.5465 8.6608 118.9304 53.5623 38.3485 175.1443 90 L 4.3375 8.5153 124.7812 55.7122 42.3461 178.3794 91 S 4.4644 8.7306 117.3905 61.0148 63.1822 176.4428 92 K 4.1681 7.6409 114.5976 58.1773 32.0361 175.8183 93 Y 4.6074 7.6538 117.3943 56.5733 39.4037 175.5527 94 E 4.3409 9.0132 123.2326 56.1709 30.5509 176.5967 95 D 4.6465 8.6144 120.6841 54.5344 41.9075 176.0802 96 Y 4.1642 8.6352 122.8833 57.4269 39.4170 174.2723 97 N 4.2007 8.1973 126.9742 52.5792 39.3527 175.0184 98 E 3.3188 8.1592 126.9995 58.3336 30.4616 178.1164 99 A 3.9953 7.9422 120.5270 55.0444 18.3482 177.7499 100 D 4.5737 8.1258 111.8471 53.2775 42.0353 175.8379 101 D 4.4517 7.3524 116.3607 53.5489 39.8971 171.7310 102 Y 5.4618 7.2118 117.4089 56.2572 42.6233 175.5376 103 Q 5.2816 9.6670 119.1411 54.3881 33.3378 174.2337 104 L 5.5826 8.8520 122.0721 53.3868 45.3477 175.0618 105 C 4.7025 8.4788 115.6060 56.7933 32.9209 174.9835 106 A 3.9574 8.4402 122.4073 54.4924 18.3122 177.7658 107 D 4.8361 7.4399 112.5857 52.4845 44.8371 174.7791 108 I 4.2671 8.0461 122.3883 60.0544 38.2952 175.6070 109 D 4.4354 8.6559 125.6284 55.2650 41.9097 176.1128 110 D 4.3966 8.6239 122.6881 55.4671 37.9228 172.5739 111 K 4.9887 7.6321 117.1532 55.7008 36.0400 176.4480 112 F 5.0314 8.3580 114.9408 56.2479 42.0749 172.8011 113 T 5.0047 8.7032 115.3361 61.8269 70.5305 174.1826 114 V 4.3872 8.9274 126.9684 61.5851 33.7624 174.4754 115 T 4.8942 8.5323 124.9944 62.4057 69.5303 174.1818 116 M 4.4048 9.3562 127.8815 54.7996 33.4787 176.0602 117 K 4.9218 8.4207 121.1536 53.4380 36.3597 173.7869 118 P 4.3481 0.0000 0.0000 64.6153 31.7091 177.0123 119 K 4.0908 10.1577 123.0873 56.5086 32.8743 175.8564 120 M 4.6933 8.0775 118.7403 55.8876 33.0911 175.3322 121 F 5.5459 8.5400 116.1930 55.0451 41.8723 173.6225 122 A 4.8408 9.0223 121.6884 50.1432 22.4486 174.9118 123 V 4.3568 8.8040 123.0684 60.9505 34.0832 174.3393 124 F 5.3064 8.5582 126.8933 55.9530 41.4694 175.0783 125 Y 4.7344 10.0443 122.7243 56.2464 39.6564 173.3989 126 P 4.3967 0.0000 0.0000 65.1595 31.6927 176.5581 127 Y 3.5056 8.2726 118.4812 58.2135 36.0713 168.9468 128 E 4.5957 8.2466 120.8257 54.3498 30.4094 174.5591 129 P 4.7089 0.0000 0.0000 63.0683 32.6979 175.1198 130 H 4.9718 8.6148 117.7875 54.1344 32.6965 172.3903 131 K 4.4675 8.6567 120.3832 54.3664 33.2765 173.8925 132 P 4.7086 0.0000 0.0000 61.5147 33.2529 174.9787 133 C 3.8655 9.7187 116.2692 61.3830 26.0606 173.5255 134 C 4.3978 7.8548 116.4518 58.0715 28.9965 173.2803 135 V 3.5094 8.2629 122.8560 63.3053 31.0463 175.3814 *143 I 4.0625 7.9986 120.2946 60.4685 38.7215 174.1264 144 K 5.1428 8.1150 123.3656 54.9109 34.6470 174.9544 145 K 5.0999 8.7040 124.7777 56.1813 36.6789 173.9204 146 L 5.3537 8.9055 119.7505 54.4561 44.7384 175.8399 147 V 4.8436 8.5019 112.4276 59.9484 35.6971 175.0102 148 V 4.2884 9.1769 126.7780 62.1442 33.0503 174.7121 149 K 4.8995 8.7253 126.1268 54.6463 34.7114 175.6385 150 V 4.7469 8.7241 117.8589 58.7590 36.2148 173.5864 151 P 4.2426 0.0000 0.0000 62.3714 31.8940 177.9250 152 V 3.7196 8.6849 117.2311 64.3752 31.1796 178.6906 153 K 3.4571 8.0981 117.1490 59.6217 31.9112 178.0104 154 L 4.2628 7.7762 116.4925 55.5713 41.8776 176.7217 155 I 4.0052 8.3487 125.3044 61.0675 37.9472 175.0061 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 1 M 8.30 4.93 0.00 2.37 2.50 0.00 0.00 0.00 0.00 0.00 0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.75 0.00 2 I 8.19 4.53 1.90 0.00 0.00 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 1.35 1.34 0.95 0.00 0.00 3 I 8.32 4.58 1.83 0.00 0.00 1.00 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 0.52 0.81 0.00 0.00 4 S 7.87 4.03 0.00 3.47 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 5 S 8.13 4.89 0.00 3.77 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 L 8.71 3.56 0.00 1.68 1.66 0.79 0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 7 T 7.41 4.48 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 1.23 0.00 0.00 8 N 8.05 4.74 0.00 3.25 2.85 0.00 0.00 6.68 7.57 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 9 P 0.00 4.42 0.00 2.20 2.22 0.00 3.80 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.02 0.00 10 N 8.07 4.83 0.00 2.79 2.86 0.00 0.00 6.90 8.13 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 11 F 8.10 4.34 0.00 3.42 3.55 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 12 K 6.99 3.93 0.00 1.51 1.72 0.00 1.23 0.00 0.00 1.52 0.00 0.00 2.78 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.25 0.21 7.81 13 V 7.70 3.80 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 0.74 0.00 0.00 0.96 0.00 0.00 14 G 8.96 4.01 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 0.00 0.00 0.00 15 L 7.69 4.32 0.00 1.96 1.69 1.11 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 16 P 0.00 4.40 0.00 2.25 2.07 0.00 3.74 0.00 0.00 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.31 0.00 17 K 8.75 3.91 0.00 1.85 1.88 0.00 1.58 0.00 0.00 1.89 0.00 0.00 3.11 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.54 1.58 7.81 18 V 7.72 3.91 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 1.16 0.00 0.00 0.93 0.00 0.00 19 I 7.77 3.72 2.04 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 1.62 0.84 0.84 0.00 0.00 20 A 7.98 4.12 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 21 E 8.60 3.96 0.00 2.14 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 2.34 2.51 0.00 22 V 7.96 3.76 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 0.87 0.00 0.00 0.86 0.00 0.00 23 C 8.27 3.95 0.00 3.05 2.50 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 24 D 8.47 4.52 0.00 3.02 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 25 Y 7.62 4.13 0.00 2.99 3.22 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 0.00 26 L 8.27 3.82 0.00 1.77 1.57 0.91 0.51 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 27 N 7.98 4.38 0.00 2.97 2.89 0.00 0.00 7.06 7.07 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 28 T 7.53 4.03 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 1.07 0.00 0.00 29 L 6.82 4.55 0.00 1.58 1.39 0.45 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 30 D 8.22 4.56 0.00 2.72 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 31 L 8.34 4.13 0.00 1.70 1.64 0.85 0.58 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 32 N 8.23 4.31 0.00 2.83 2.87 0.00 0.00 6.87 7.35 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 33 A 7.44 4.23 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 34 L 7.48 4.10 0.00 1.73 1.55 0.80 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 35 E 8.71 4.14 0.00 2.08 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 2.33 2.36 0.00 36 N 8.58 4.49 0.00 2.72 2.77 0.00 0.00 7.20 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 37 G 8.50 3.66 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 0.00 0.00 0.00 38 R 8.43 4.90 0.00 1.84 1.82 0.00 2.94 0.00 0.00 3.06 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.73 0.00 39 H 9.30 5.05 0.00 3.15 3.25 0.00 5.66 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 D 8.71 4.93 0.00 2.59 2.64 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 41 I 8.88 3.91 1.94 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.58 0.46 0.00 0.00 42 N 7.43 5.03 0.00 2.74 2.84 0.00 0.00 6.83 8.06 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 43 D 8.69 4.46 0.00 2.62 2.71 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 0.00 0.00 0.00 0.00 44 Q 8.02 4.59 0.00 2.12 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.50 0.00 0.00 0.00 0.00 0.00 2.30 2.31 0.00 45 I 7.51 5.06 1.87 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.76 0.91 0.00 0.00 46 Y 7.91 5.50 0.00 3.21 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 47 M 9.81 5.13 0.00 2.00 2.20 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.59 0.00 48 N 8.89 5.48 0.00 2.71 2.81 0.00 0.00 6.77 7.37 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 49 V 8.96 5.08 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 0.95 0.00 0.00 1.02 0.00 0.00 50 M 9.01 4.98 0.00 2.03 2.15 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.67 0.00 51 E 8.62 5.98 0.00 1.82 1.89 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 2.19 2.27 0.00 52 P 0.00 4.59 0.00 2.15 1.90 0.00 3.64 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.06 0.00 *61 K 8.36 4.12 0.00 1.89 1.82 0.00 1.51 0.00 0.00 1.64 0.00 0.00 2.86 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.22 1.36 7.81 62 A 8.40 4.56 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 63 E 8.98 5.42 0.00 1.81 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 1.97 2.15 0.00 64 L 8.79 4.85 0.00 1.56 1.68 0.41 0.64 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 65 H 8.49 5.48 0.00 3.25 3.53 0.00 5.58 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 66 H 9.56 4.03 0.00 3.17 3.14 0.00 5.70 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 67 E 9.14 4.46 0.00 1.80 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.92 0.00 68 Y 8.34 5.15 0.00 3.00 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 69 L 9.04 4.83 0.00 1.76 1.85 0.84 1.08 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 70 D 8.72 5.27 0.00 2.86 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 71 V 8.54 4.58 1.98 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 0.84 0.00 0.00 0.82 0.00 0.00 72 Q 8.85 5.11 0.00 2.04 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.53 0.00 0.00 0.00 0.00 0.00 2.35 2.40 0.00 73 V 8.64 4.91 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 0.65 0.00 0.00 0.91 0.00 0.00 74 L 8.47 4.64 0.00 1.76 1.69 1.02 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 75 I 8.72 4.37 1.98 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 1.08 0.71 0.89 0.00 0.00 76 R 7.64 4.43 0.00 1.82 1.68 0.00 3.18 0.00 0.00 3.46 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.62 0.00 77 G 10.61 4.09 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 0.00 0.00 0.00 78 T 7.88 4.71 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 1.29 0.00 0.00 79 E 8.95 4.71 0.00 2.02 1.72 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 2.21 2.28 0.00 80 N 8.69 5.26 0.00 2.98 2.71 0.00 0.00 6.55 8.19 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 81 I 9.08 5.06 1.94 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.72 0.97 0.00 0.00 82 E 8.69 4.87 0.00 1.84 1.75 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 2.22 2.22 0.00 83 V 8.52 4.68 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 0.62 0.00 0.00 -0.05 0.00 0.00 84 G 8.29 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 0.00 0.00 0.00 0.00 85 A 9.13 4.48 1.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.78 4.27 4.33 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 1.29 0.00 0.00 87 Y 8.57 3.99 0.00 3.00 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 88 P 0.00 4.38 0.00 2.07 1.95 0.00 2.20 0.00 0.00 3.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 1.65 0.00 89 N 8.66 4.55 0.00 2.83 2.87 0.00 0.00 7.06 6.66 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 90 L 8.52 4.34 0.00 1.69 1.72 0.59 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 91 S 8.73 4.46 0.00 4.13 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 92 K 7.64 4.17 0.00 1.92 1.96 0.00 1.66 0.00 0.00 2.07 0.00 0.00 3.27 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.35 1.45 7.81 93 Y 7.65 4.61 0.00 3.12 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 94 E 9.01 4.34 0.00 1.93 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 2.36 2.47 0.00 95 D 8.61 4.65 0.00 2.59 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 96 Y 8.64 4.16 0.00 2.99 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 97 N 8.20 4.20 0.00 2.13 1.42 0.00 0.00 6.38 7.09 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 98 E 8.16 3.32 0.00 1.91 1.74 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 2.31 2.30 0.00 99 A 7.94 4.00 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 0.00 100 D 8.13 4.57 0.00 2.61 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 0.00 101 D 7.35 4.45 0.00 3.18 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 0.00 102 Y 7.21 5.46 0.00 3.11 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 0.00 103 Q 9.67 5.28 0.00 2.11 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.78 0.00 0.00 0.00 0.00 0.00 2.71 2.64 0.00 104 L 8.85 5.58 0.00 1.61 1.49 0.85 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 105 C 8.48 4.70 0.00 2.48 1.65 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 0.00 106 A 8.44 3.96 1.22 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 0.00 0.00 0.00 107 D 7.44 4.84 0.00 2.56 2.48 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 0.00 108 I 8.05 4.27 1.82 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.46 0.89 0.00 0.00 109 D 8.66 4.44 0.00 2.72 2.64 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 0.00 110 D 8.62 4.40 0.00 2.89 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 0.00 111 K 7.63 4.99 0.00 1.81 1.94 0.00 1.50 0.00 0.00 1.72 0.00 0.00 2.99 0.00 0.00 3.34 0.00 0.00 0.00 0.00 1.32 1.41 7.81 112 F 8.36 5.03 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 0.00 113 T 8.70 5.00 4.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 114 V 8.93 4.39 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 1.02 0.00 0.00 1.07 0.00 0.00 115 T 8.53 4.89 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 1.27 0.00 0.00 116 M 9.36 4.40 0.00 1.90 2.04 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.79 0.00 117 K 8.42 4.92 0.00 1.63 1.66 0.00 1.71 0.00 0.00 1.82 0.00 0.00 2.81 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.41 1.36 7.81 118 P 0.00 4.35 0.00 2.02 2.21 0.00 3.72 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.20 0.00 119 K 10.16 4.09 0.00 2.01 1.96 0.00 1.49 0.00 0.00 1.63 0.00 0.00 2.98 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.27 1.40 7.81 120 M 8.08 4.69 0.00 1.93 2.11 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.52 0.00 121 F 8.54 5.55 0.00 2.96 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 0.00 122 A 9.02 4.84 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 V 8.80 4.36 1.84 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 0.34 0.00 0.00 0.96 0.00 0.00 124 F 8.56 5.31 0.00 2.82 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 0.00 125 Y 10.04 4.73 0.00 3.01 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 0.00 126 P 0.00 4.40 0.00 2.18 2.12 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 2.14 2.40 0.00 127 Y 8.27 3.51 0.00 3.16 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 0.00 128 E 8.25 4.60 0.00 2.05 2.05 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 2.49 2.62 0.00 129 P 0.00 4.71 0.00 2.10 2.26 0.00 3.81 0.00 0.00 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 1.98 0.00 130 H 8.61 4.97 0.00 2.55 2.05 0.00 5.21 0.00 0.00 0.00 0.00 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 131 K 8.66 4.47 0.00 1.69 1.57 0.00 1.50 0.00 0.00 1.56 0.00 0.00 2.98 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.25 1.46 7.81 132 P 0.00 4.71 0.00 1.99 2.09 0.00 3.83 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 2.04 2.18 0.00 133 C 9.72 3.87 0.00 3.01 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 0.00 134 C 7.85 4.40 0.00 3.09 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 0.00 135 V 8.26 3.51 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 0.81 0.00 0.00 0.92 0.00 0.00 *143 I 8.00 4.06 2.06 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 1.30 0.47 0.91 0.00 0.00 144 K 8.12 5.14 0.00 1.86 1.66 0.00 1.65 0.00 0.00 1.69 0.00 0.00 2.92 0.00 0.00 3.26 0.00 0.00 0.00 0.00 1.33 1.47 7.81 145 K 8.70 5.10 0.00 2.05 1.87 0.00 1.34 0.00 0.00 1.82 0.00 0.00 2.90 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.33 1.39 7.81 146 L 8.91 5.35 0.00 1.79 1.73 0.89 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 147 V 8.50 4.84 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 0.74 0.00 0.00 0.96 0.00 0.00 148 V 9.18 4.29 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 0.92 0.00 0.00 0.89 0.00 0.00 149 K 8.73 4.90 0.00 0.79 0.93 0.00 1.20 0.00 0.00 1.43 0.00 0.00 2.73 0.00 0.00 2.71 0.00 0.00 0.00 0.00 0.90 0.80 7.81 150 V 8.72 4.75 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 0.67 0.00 0.00 0.94 0.00 0.00 151 P 0.00 4.24 0.00 2.05 1.65 0.00 3.60 0.00 0.00 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 1.91 0.00 152 V 8.68 3.72 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 1.02 0.00 0.00 1.00 0.00 0.00 153 K 8.10 3.46 0.00 1.70 1.90 0.00 1.70 0.00 0.00 1.68 0.00 0.00 2.93 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.41 1.49 7.81 154 L 7.78 4.26 0.00 1.87 1.72 0.91 0.60 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 0.00 155 I 8.35 4.01 2.09 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.74 0.93 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.