NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 P 4.6176 0.0000 0.0000 62.2279 32.3962 176.6665 6 T 3.8821 8.8518 115.6018 61.1975 70.5003 173.6799 7 I 3.6678 8.3539 122.6203 64.7167 37.5647 179.4755 8 N 4.3715 8.1997 116.9679 56.3311 38.5414 176.8193 9 Q 3.9633 8.2822 120.0928 59.0556 28.6017 178.1910 10 L 3.5578 7.9693 119.6730 57.5317 41.3487 179.5177 11 V 3.7930 7.4135 117.1033 65.0182 31.6724 177.6357 12 R 4.2190 7.5291 117.1282 57.6729 30.3360 177.3738 13 K 4.3017 8.7875 116.4287 54.7439 34.4274 177.5862 14 G 3.9261 7.4476 107.6662 44.8410 0.0000 172.5514 15 R 4.6092 8.1994 116.3457 54.2388 32.6223 175.1706 16 E 4.5309 8.3438 120.4156 54.2712 30.9012 175.9372 17 K 4.1526 8.4411 126.0522 56.1117 32.8714 177.1405 18 V 3.8719 8.1779 122.8013 62.6897 32.2952 175.2334 19 R 4.6529 8.2186 123.2917 54.2030 32.7554 175.5563 20 K 4.2254 8.4318 121.0800 55.0387 32.8243 176.3939 21 K 4.1809 8.4796 126.1135 54.9962 32.2076 176.2175 22 S 4.1592 8.5965 121.9805 58.6614 62.7480 173.6281 23 K 4.3494 8.4889 125.5980 56.0232 32.0427 177.2316 24 V 4.1129 7.2345 120.1919 61.8087 32.5694 172.8588 25 P 4.4381 0.0000 0.0000 61.3580 29.7582 177.0943 26 A 4.1012 7.6630 118.0964 51.1176 19.5656 176.5893 27 L 3.3626 7.3928 121.9458 54.8298 42.9369 173.9150 28 K 3.9752 9.6176 117.3829 56.6407 29.7411 175.0678 29 G 3.9737 8.3702 103.1336 46.0503 0.0000 174.1087 30 A 4.0925 8.1872 121.5496 51.5858 18.8583 177.2757 31 P 4.1360 0.0000 0.0000 64.8340 31.7335 176.8263 32 F 5.1959 7.6311 113.6068 55.9561 43.3096 174.4795 33 R 4.8413 9.0521 120.5120 55.1131 33.8809 174.0645 34 R 5.1342 8.5685 121.7078 55.1654 33.1997 174.8898 35 G 4.1996 8.6495 105.8371 46.1347 0.0000 171.8524 36 V 4.7527 7.9574 118.5829 61.1691 34.0471 175.6930 37 C 4.8630 8.5959 123.3494 60.4828 28.8344 172.5826 38 T 4.4955 9.0538 114.9548 64.7963 70.2600 174.6601 39 V 4.4268 7.6777 119.5741 60.9163 35.4917 173.8769 40 V 4.9787 8.0117 123.6617 60.0211 30.6955 174.4694 41 R 4.3205 7.9574 124.3919 55.5170 32.5479 175.1289 42 T 4.7845 8.3818 119.0925 60.7824 67.7520 173.7422 43 V 4.2904 8.9076 130.2254 62.1426 33.2718 175.1638 44 T 5.3267 8.6512 116.3925 59.6274 70.8391 172.2758 45 P 5.0261 0.0000 0.0000 60.9875 34.1819 173.0792 46 K 4.6826 8.0135 117.8767 56.7875 34.4365 177.4807 47 K 3.5555 8.0482 115.0160 56.4981 33.7852 173.3456 48 P 4.8870 0.0000 0.0000 62.2363 32.5328 174.4102 49 N 5.0596 8.3372 116.0072 52.1909 41.2809 175.1431 50 S 4.3821 8.1274 114.1473 57.2888 63.2944 172.4521 51 A 4.7938 8.0671 128.6864 50.3087 22.9999 175.7579 52 L 4.9953 8.0883 116.8930 52.9741 41.2752 177.4780 53 R 4.1742 8.1688 118.3165 56.8151 32.0389 177.9661 54 K 4.4325 8.8689 124.4511 56.4903 33.3686 176.5849 55 V 4.8848 8.7790 124.6779 61.7513 36.1493 173.4295 56 A 4.9723 8.1674 119.7550 51.0478 23.0028 176.0351 57 K 4.5279 9.0551 122.6709 56.0721 33.8412 176.3697 58 V 4.7616 9.3725 124.6426 61.2588 35.1675 174.4021 59 R 4.5859 9.3229 129.4055 54.8857 30.1166 175.5370 60 L 4.7824 9.0890 126.9042 54.3843 42.5860 178.6150 61 T 3.9797 8.5119 111.6173 64.4278 68.9035 175.9621 62 S 4.2476 7.9647 114.5660 59.1495 62.9782 173.7142 63 G 4.1957 8.1513 110.2203 45.8961 0.0000 174.1420 64 Y 4.1102 7.7005 116.3727 57.9246 39.1075 175.2860 65 E 5.5199 8.5043 120.8040 53.7208 29.5234 175.1449 66 V 4.4181 7.6807 117.1407 60.0629 35.3208 174.2904 67 T 5.2068 8.4576 114.5806 60.9663 69.8967 173.0323 68 A 5.2419 8.5937 126.7752 50.6160 23.3657 174.5734 69 Y 4.5421 8.6428 121.1705 56.9479 40.7870 174.8326 70 I 4.1993 7.1395 127.0697 58.7453 37.7095 174.0030 71 P 4.1635 0.0000 0.0000 62.7264 32.1417 176.0943 72 G 4.2120 8.6531 105.7225 44.7284 0.0000 174.0260 73 E 4.1453 8.7728 118.6593 58.9051 29.7429 177.4436 74 G 4.2114 7.5738 104.8561 45.0060 0.0000 170.9949 75 H 4.9932 8.3155 114.6131 54.1502 31.9793 172.4517 76 N 5.0047 8.4217 114.1999 52.2057 37.1220 174.5165 77 L 4.6636 7.8599 117.1398 54.1706 43.9890 176.5949 78 Q 4.8887 8.5953 124.5178 54.1569 31.4665 174.5946 79 E 4.0210 8.8291 118.1030 59.6487 29.7356 178.1084 80 H 4.9941 7.8401 113.3452 55.5494 29.4888 175.0723 81 S 4.0771 8.1170 116.0643 61.8893 63.3373 175.4168 82 V 3.8020 9.0563 117.7059 63.3252 31.7762 169.9047 83 V 4.7431 8.0486 123.6219 61.5646 35.2840 170.3873 84 L 5.2143 8.3044 122.5483 53.4865 44.5574 174.7233 85 I 5.0166 9.3099 127.8861 60.1016 38.9093 176.3425 86 R 4.2869 9.7581 122.9731 55.9082 31.5042 176.7861 87 G 3.8846 9.2056 108.0744 46.3029 0.0000 172.8997 88 G 4.0801 8.3219 111.9558 44.6563 0.0000 172.5650 89 R 3.9974 8.5794 122.6825 56.4290 29.4094 176.2127 90 V 4.0651 7.7697 114.2643 61.4453 32.8324 175.1753 91 K 4.1778 8.1323 123.6456 58.0903 31.0663 176.3013 92 D 4.5463 7.6021 116.1679 55.0275 41.6600 176.0015 93 L 4.6446 7.3098 120.1422 51.5095 40.9507 172.0230 94 P 4.4383 0.0000 0.0000 63.4342 31.9668 175.0761 95 G 3.9205 9.0298 115.5133 46.1349 0.0000 174.3729 96 V 3.9523 7.6715 120.9454 62.3613 31.7124 176.1811 97 R 4.5838 8.0299 127.4093 55.3529 31.7753 174.2262 98 Y 5.0209 7.7121 112.6128 57.5862 42.5880 173.3449 99 H 5.2716 9.0914 117.8976 54.1797 32.6066 173.0206 100 I 4.4447 8.2170 122.3728 60.5032 38.4400 175.9345 101 V 4.0545 8.7188 127.6118 61.4056 31.9939 175.7702 102 R 3.9829 8.3730 127.5048 57.4326 30.5144 177.5615 103 G 3.9050 8.4938 109.8577 44.9595 0.0000 173.5779 104 V 3.8514 6.9379 119.4594 61.9917 33.2739 176.4136 105 Y 3.7849 7.9454 124.5052 58.2425 36.6813 170.7216 106 D 4.3874 7.7823 119.6889 56.6064 41.3419 176.3048 107 A 4.4289 8.7657 124.4228 50.4014 19.5462 177.5773 108 A 4.2894 9.3267 127.2161 51.7192 19.7973 176.0691 109 G 4.0829 8.1054 106.2878 44.8435 0.0000 172.9131 110 V 4.3812 7.5868 119.9239 61.2649 32.1520 176.3954 111 K 4.1277 8.5924 127.9331 57.1376 32.8581 176.9956 112 D 4.6119 8.9210 122.2786 54.6698 37.8256 174.1876 113 R 4.3587 7.7594 118.5088 55.0922 30.4873 176.0728 114 K 4.5724 8.4132 121.9756 56.9145 35.6551 177.3174 115 K 4.7543 7.3501 122.7014 55.0779 30.5716 180.2965 116 S 4.1836 8.7407 125.0226 60.3010 62.3030 173.9605 117 R 4.9038 8.3338 119.7317 54.7801 33.0746 177.1125 118 S 4.1156 8.3845 112.1664 60.7692 62.6680 174.4581 119 K 4.4254 7.9801 118.4619 56.8230 33.3659 177.1644 120 Y 3.6135 8.4217 118.0607 57.1636 35.8900 168.8702 121 G 4.2072 7.9712 102.9916 46.4437 0.0000 170.6142 122 T 4.8297 8.1473 110.6531 59.6693 71.9190 175.4269 123 K 4.0919 8.5879 125.1147 55.6414 32.8066 176.6381 124 K 3.6985 8.5634 122.4113 56.2119 32.3406 174.2310 125 P 4.2103 0.0000 0.0000 62.9956 31.6235 177.9397 126 K 4.3564 8.3899 128.3496 56.3517 30.7590 178.1401 127 E 4.4327 7.9502 114.5157 56.8961 29.8297 177.2655 128 A 4.4750 7.4676 121.4610 52.8125 19.3875 177.9948 129 A 4.6051 7.6619 120.5516 52.9587 19.5814 177.8162 *130 K 4.1283 7.9370 127.0272 55.0627 32.4811 177.8623 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 5 P 0.00 4.62 0.00 2.06 2.09 0.00 3.66 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 1.92 2.08 0.00 6 T 8.85 3.88 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 1.27 0.00 0.00 7 I 8.35 3.67 1.87 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 1.52 1.20 0.91 0.00 0.00 8 N 8.20 4.37 0.00 2.83 2.82 0.00 0.00 7.16 6.75 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 9 Q 8.28 3.96 0.00 2.29 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.51 0.00 0.00 0.00 0.00 0.00 2.37 2.39 0.00 10 L 7.97 3.56 0.00 1.88 1.74 0.92 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 11 V 7.41 3.79 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.00 0.00 0.96 0.00 0.00 12 R 7.53 4.22 0.00 1.97 1.96 0.00 3.16 0.00 0.00 3.22 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.80 0.00 13 K 8.79 4.30 0.00 1.65 1.81 0.00 1.84 0.00 0.00 1.71 0.00 0.00 3.01 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.35 1.34 7.81 14 G 7.45 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 15 R 8.20 4.61 0.00 1.78 1.83 0.00 3.36 0.00 0.00 3.15 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.52 0.00 16 E 8.34 4.53 0.00 1.91 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 0.00 2.21 2.30 0.00 17 K 8.44 4.15 0.00 1.78 1.73 0.00 1.81 0.00 0.00 1.63 0.00 0.00 2.98 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.44 1.37 7.81 18 V 8.18 3.87 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 0.79 0.00 0.00 0.93 0.00 0.00 19 R 8.22 4.65 0.00 1.80 1.78 0.00 3.25 0.00 0.00 3.22 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.60 0.00 20 K 8.43 4.23 0.00 1.73 1.74 0.00 1.73 0.00 0.00 1.62 0.00 0.00 2.92 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.39 1.41 7.81 21 K 8.48 4.18 0.00 1.69 1.72 0.00 1.67 0.00 0.00 1.63 0.00 0.00 3.06 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.39 1.47 7.81 22 S 8.60 4.16 0.00 3.86 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 K 8.49 4.35 0.00 1.71 1.72 0.00 1.77 0.00 0.00 1.59 0.00 0.00 2.89 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.33 1.52 7.81 24 V 7.23 4.11 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.00 0.00 0.73 0.00 0.00 25 P 0.00 4.44 0.00 1.93 1.77 0.00 3.78 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 2.14 2.07 0.00 26 A 7.66 4.10 1.28 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 0.00 0.00 0.00 27 L 7.39 3.36 0.00 1.79 1.53 0.94 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 28 K 9.62 3.98 0.00 1.85 1.80 0.00 1.96 0.00 0.00 1.72 0.00 0.00 3.04 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.38 1.42 7.81 29 G 8.37 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 30 A 8.19 4.09 1.36 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 0.00 0.00 31 P 0.00 4.14 0.00 1.82 1.84 0.00 3.66 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.05 0.00 32 F 7.63 5.20 0.00 2.92 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 33 R 9.05 4.84 0.00 1.88 1.65 0.00 3.10 0.00 0.00 3.24 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.61 0.00 34 R 8.57 5.13 0.00 2.10 2.27 0.00 2.86 0.00 0.00 2.89 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.60 0.00 35 G 8.65 4.20 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 0.00 36 V 7.96 4.75 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 0.99 0.00 0.00 0.90 0.00 0.00 37 C 8.60 4.86 0.00 3.16 2.85 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 38 T 9.05 4.50 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 1.22 0.00 0.00 39 V 7.68 4.43 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 0.97 0.00 0.00 0.94 0.00 0.00 40 V 8.01 4.98 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 1.34 0.00 0.00 0.99 0.00 0.00 41 R 7.96 4.32 0.00 1.95 1.78 0.00 3.23 0.00 0.00 3.28 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.64 0.00 42 T 8.38 4.78 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 43 V 8.91 4.29 2.13 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 0.93 0.00 0.00 0.97 0.00 0.00 44 T 8.65 5.33 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 1.22 0.00 0.00 45 P 0.00 5.03 0.00 2.07 2.09 0.00 3.31 0.00 0.00 2.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 1.83 0.00 46 K 8.01 4.68 0.00 1.90 1.96 0.00 1.63 0.00 0.00 1.73 0.00 0.00 2.81 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.53 1.36 7.81 47 K 8.05 3.56 0.00 1.77 1.68 0.00 1.59 0.00 0.00 1.75 0.00 0.00 3.10 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.34 1.46 7.81 48 P 0.00 4.89 0.00 2.17 2.06 0.00 3.87 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.93 0.00 49 N 8.34 5.06 0.00 2.65 2.73 0.00 0.00 6.59 7.12 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 50 S 8.13 4.38 0.00 3.78 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 A 8.07 4.79 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 52 L 8.09 5.00 0.00 1.65 1.65 0.94 0.89 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 53 R 8.17 4.17 0.00 2.09 2.16 0.00 3.25 0.00 0.00 3.18 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.70 0.00 54 K 8.87 4.43 0.00 1.56 1.54 0.00 1.77 0.00 0.00 1.76 0.00 0.00 2.94 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.54 1.52 7.81 55 V 8.78 4.88 2.13 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 1.08 0.00 0.00 1.14 0.00 0.00 56 A 8.17 4.97 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 57 K 9.06 4.53 0.00 1.74 1.76 0.00 1.65 0.00 0.00 1.60 0.00 0.00 2.85 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.47 1.54 7.81 58 V 9.37 4.76 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 0.96 0.00 0.00 0.95 0.00 0.00 59 R 9.32 4.59 0.00 1.89 1.82 0.00 3.14 0.00 0.00 3.40 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.68 0.00 60 L 9.09 4.78 0.00 1.67 1.60 0.89 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 61 T 8.51 3.98 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 1.24 0.00 0.00 62 S 7.96 4.25 0.00 4.00 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 63 G 8.15 4.20 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 0.00 64 Y 7.70 4.11 0.00 2.77 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 65 E 8.50 5.52 0.00 1.79 1.87 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 2.20 2.21 0.00 66 V 7.68 4.42 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 0.73 0.00 0.00 67 T 8.46 5.21 4.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 68 A 8.59 5.24 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 69 Y 8.64 4.54 0.00 2.95 2.60 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 70 I 7.14 4.20 1.44 0.00 0.00 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.67 0.69 0.00 0.00 71 P 0.00 4.16 0.00 1.82 2.05 0.00 3.57 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 1.79 1.86 0.00 72 G 8.65 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 73 E 8.77 4.15 0.00 1.99 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 2.33 2.40 0.00 74 G 7.57 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 75 H 8.32 4.99 0.00 3.20 3.19 0.00 5.47 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 N 8.42 5.00 0.00 2.78 2.84 0.00 0.00 5.89 7.79 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 77 L 7.86 4.66 0.00 1.77 1.67 0.90 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 78 Q 8.60 4.89 0.00 1.95 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.98 0.00 0.00 0.00 0.00 0.00 2.28 2.24 0.00 79 E 8.83 4.02 0.00 1.84 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 2.48 0.00 80 H 7.84 4.99 0.00 3.14 3.22 0.00 5.81 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 81 S 8.12 4.08 0.00 3.87 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 82 V 9.06 3.80 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 0.68 0.00 0.00 0.93 0.00 0.00 83 V 8.05 4.74 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 0.55 0.00 0.00 1.04 0.00 0.00 84 L 8.30 5.21 0.00 1.87 1.45 0.86 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 0.00 0.00 0.00 0.00 0.00 0.00 85 I 9.31 5.02 2.01 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.71 0.95 0.00 0.00 86 R 9.76 4.29 0.00 1.97 2.42 0.00 3.15 0.00 0.00 3.36 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.65 0.00 87 G 9.21 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 G 8.32 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 89 R 8.58 4.00 0.00 1.84 1.91 0.00 2.92 0.00 0.00 3.11 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.60 0.00 90 V 7.77 4.07 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 0.42 0.00 0.00 0.71 0.00 0.00 91 K 8.13 4.18 0.00 1.86 1.87 0.00 1.67 0.00 0.00 1.67 0.00 0.00 3.01 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.26 1.47 7.81 92 D 7.60 4.55 0.00 2.66 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 93 L 7.31 4.64 0.00 1.59 1.56 0.75 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 94 P 0.00 4.44 0.00 2.03 2.01 0.00 3.64 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.07 0.00 95 G 9.03 3.92 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 0.00 0.00 0.00 96 V 7.67 3.95 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 0.96 0.00 0.00 97 R 8.03 4.58 0.00 1.09 1.49 0.00 3.16 0.00 0.00 3.18 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.71 0.00 98 Y 7.71 5.02 0.00 2.97 2.78 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 99 H 9.09 5.27 0.00 3.17 3.24 0.00 5.80 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 I 8.22 4.44 1.84 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.71 0.92 0.00 0.00 101 V 8.72 4.05 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 0.82 0.00 0.00 1.04 0.00 0.00 102 R 8.37 3.98 0.00 1.84 2.01 0.00 3.43 0.00 0.00 3.20 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.52 0.00 103 G 8.49 3.90 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 0.00 104 V 6.94 3.85 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 -0.32 0.00 0.00 0.63 0.00 0.00 105 Y 7.95 3.78 0.00 3.26 2.86 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 0.00 106 D 7.78 4.39 0.00 2.98 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 0.00 107 A 8.77 4.43 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 0.00 108 A 9.33 4.29 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 0.00 109 G 8.11 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 0.00 110 V 7.59 4.38 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 0.86 0.00 0.00 1.15 0.00 0.00 111 K 8.59 4.13 0.00 1.69 1.72 0.00 1.84 0.00 0.00 1.71 0.00 0.00 2.96 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.45 1.48 7.81 112 D 8.92 4.61 0.00 2.83 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 0.00 113 R 7.76 4.36 0.00 2.02 1.81 0.00 3.24 0.00 0.00 3.02 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.46 0.00 114 K 8.41 4.57 0.00 1.67 1.79 0.00 1.73 0.00 0.00 1.69 0.00 0.00 3.00 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.31 1.38 7.81 115 K 7.35 4.75 0.00 1.64 0.88 0.00 1.75 0.00 0.00 1.67 0.00 0.00 2.96 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.39 1.35 7.81 116 S 8.74 4.18 0.00 3.65 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 0.00 117 R 8.33 4.90 0.00 1.80 2.02 0.00 3.42 0.00 0.00 3.28 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.76 0.00 118 S 8.38 4.12 0.00 3.85 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 0.00 119 K 7.98 4.43 0.00 2.35 1.77 0.00 1.94 0.00 0.00 1.92 0.00 0.00 2.95 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.56 1.56 7.81 120 Y 8.42 3.61 0.00 3.22 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 0.00 121 G 7.97 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 0.00 122 T 8.15 4.83 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 1.36 0.00 0.00 123 K 8.59 4.09 0.00 1.76 1.78 0.00 1.78 0.00 0.00 1.62 0.00 0.00 2.75 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.44 1.37 7.81 124 K 8.56 3.70 0.00 1.68 1.74 0.00 1.67 0.00 0.00 1.70 0.00 0.00 3.05 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.42 1.54 7.81 125 P 0.00 4.21 0.00 2.39 2.02 0.00 3.72 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.11 0.00 126 K 8.39 4.36 0.00 1.81 1.79 0.00 1.65 0.00 0.00 1.81 0.00 0.00 2.90 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.52 1.58 7.81 127 E 7.95 4.43 0.00 1.95 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 2.30 2.30 0.00 128 A 7.47 4.47 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 0.00 129 A 7.66 4.61 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 *130 K 7.94 4.13 0.00 1.54 1.64 0.00 1.61 0.00 0.00 1.74 0.00 0.00 3.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.26 1.50 7.81 * Residues marked with a * may have inaccurate shift predictions.