NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 N 4.9399 8.2676 118.0874 53.2210 39.8037 172.0853 3 I 5.4270 7.7486 116.1874 57.5524 40.3103 173.5199 4 G 3.0524 8.2930 111.0139 44.0119 0.0000 172.8419 5 V 4.4614 7.9685 122.0545 60.9026 33.9556 174.5800 6 I 4.3334 8.4613 129.2751 59.7961 39.2619 174.8412 7 I 4.4194 8.5598 130.1585 59.8397 38.4871 175.2659 8 L 4.6021 8.6004 128.4168 53.8328 41.7079 177.8626 9 A 4.7825 8.8270 122.8903 52.2982 21.2382 177.7764 10 A 3.7846 8.3480 122.4150 54.0520 18.6774 179.6891 11 G 3.9010 7.9522 106.7755 46.0158 0.0000 174.0556 12 E 4.6921 8.2919 109.6733 56.0047 33.3714 173.2092 *18 G 3.6125 7.8092 108.6010 47.0292 0.0000 173.6591 19 D 4.2010 8.2954 118.9003 56.7742 40.4186 175.2550 20 K 3.8841 8.2066 124.3523 60.1869 31.5362 180.9500 21 L 4.1874 7.4965 118.7055 57.2568 41.2987 178.8551 22 L 4.1895 7.6025 117.5742 55.1675 42.6753 176.8196 23 A 4.0924 7.4135 122.0371 52.6692 18.9344 177.1451 24 K 4.7857 8.1626 119.8770 55.7735 33.7252 177.7906 25 I 4.2185 8.3456 121.5050 61.4074 38.9387 174.2348 26 D 4.2404 8.7633 128.6832 55.1143 38.4011 175.3589 27 N 4.5159 8.3034 113.8633 53.5696 37.5564 174.7332 28 T 4.6060 7.1415 112.1207 58.9737 69.8643 171.4796 29 P 4.7140 0.0000 0.0000 62.3557 32.1777 176.8128 30 I 3.6886 8.6182 116.1500 63.9709 37.8127 178.5006 31 I 3.7313 7.5378 117.5453 61.7283 37.2495 177.1661 *33 R 4.1652 8.1271 120.1185 56.2924 31.2469 177.5312 34 T 3.8803 8.2702 114.7343 66.9194 68.4567 176.6580 35 I 3.9100 7.8260 121.4607 64.5096 37.0425 178.7834 36 R 4.0008 7.8242 119.2646 59.0130 29.7060 178.9240 37 I 3.8693 7.1981 110.8152 63.5151 37.4515 176.8839 38 Y 4.3508 7.4824 116.4371 57.2780 38.2417 177.9819 39 G 3.8860 8.8418 107.2458 45.5119 0.0000 176.6579 40 D 4.4808 9.0747 127.5220 56.5541 40.8001 176.5517 41 L 3.8639 7.3140 117.6237 54.8019 42.3571 177.2125 42 E 4.3415 8.8103 123.0516 56.2928 29.6526 175.7897 43 K 5.3440 8.0831 126.3293 55.0702 35.8698 175.3004 44 I 4.2167 7.7719 116.3522 60.4218 41.3147 172.8079 45 I 4.7364 8.2478 130.6669 60.0288 39.3570 174.5783 46 I 4.7758 8.5082 127.5290 59.6027 39.5081 175.0323 47 V 4.7166 8.8783 126.8391 60.4886 35.5615 177.3046 48 G 4.0401 8.4361 116.2805 45.4430 0.0000 175.1832 49 K 3.3399 7.2351 124.3070 57.5834 31.3829 178.1318 50 Y 4.7478 6.9506 115.5926 57.7643 38.2679 178.2567 51 V 3.6411 7.4925 121.0373 65.1404 31.1530 177.5176 52 N 4.3728 8.0719 116.4150 55.5127 38.4555 175.7311 53 E 4.2365 7.8595 115.3533 57.0604 29.4097 177.4228 *55 L 4.4028 7.9511 121.2797 54.4233 43.5618 177.4123 56 P 4.2902 0.0000 0.0000 65.4948 31.3981 177.8011 57 L 3.9855 7.9111 116.7981 56.6805 41.9496 176.7055 58 L 4.3146 7.6237 119.1043 53.1510 40.9871 176.2185 *60 D 4.4412 8.3577 121.6215 52.3537 40.9183 174.8949 61 Q 4.5631 7.7898 119.5150 54.1958 32.3240 174.6356 62 I 4.0640 8.0244 121.7814 60.7430 37.9746 175.0598 63 V 4.7135 8.2774 127.2201 61.0401 33.8467 174.9009 64 I 4.5030 8.5420 127.6589 59.5301 40.1505 173.9798 65 Y 4.6651 8.7678 129.2877 57.2611 39.6087 174.0922 66 N 4.5494 8.5772 126.8559 51.1856 38.9793 172.9272 67 P 3.9620 0.0000 0.0000 64.8255 31.9093 176.8589 68 F 4.7464 7.6745 118.1511 56.9502 38.9390 177.9561 69 W 4.3047 7.6785 120.7945 59.0890 28.1146 176.9360 70 N 4.4289 6.9054 114.3121 53.6346 37.1509 175.1603 71 E 4.2047 8.0263 118.8754 55.7683 30.3858 175.5106 72 G 4.4201 7.8475 106.7228 43.7014 0.0000 174.9672 73 I 3.6387 8.7009 121.4952 64.0451 37.8604 178.3717 74 S 4.1741 7.6096 114.4657 61.5806 62.5215 176.5662 75 T 3.8418 8.2285 117.0393 65.2187 67.1621 176.4630 76 S 4.1704 8.0391 116.6336 61.3773 62.8319 176.3352 77 L 3.9675 7.8819 121.6820 57.9504 41.4483 179.7491 78 K 3.9011 7.8868 117.7610 59.2982 31.7269 178.8889 79 L 4.0249 7.6139 119.2980 58.4423 41.9072 179.0178 80 G 3.8039 8.2236 105.3896 47.7600 0.0000 175.2131 81 L 3.8982 8.1844 122.8084 58.0034 41.8820 179.1227 82 R 3.8466 7.9750 118.0861 59.3605 29.7880 178.7073 83 F 3.8195 7.7333 115.1266 58.8203 38.9463 175.9779 84 F 4.8123 7.7986 116.3136 56.8115 40.2628 176.7193 85 K 4.2333 7.7596 122.3041 59.9278 31.8506 177.3489 86 D 4.7339 8.2074 114.8231 55.6245 41.1812 176.4679 87 Y 4.2854 9.1673 118.6595 57.8063 38.6846 175.7736 88 D 4.7201 9.0962 122.3846 57.6633 42.2481 175.9926 89 A 4.9890 7.7923 117.5827 51.3831 22.9682 175.4859 90 V 4.6354 8.9354 111.8859 59.7220 36.1889 175.1737 91 L 4.4791 8.7014 125.8661 54.0285 42.8334 176.3370 92 V 4.2242 8.3711 125.7699 61.7139 30.6235 175.1714 93 A 4.5563 8.3138 128.0864 50.6391 20.8563 175.5803 94 L 4.8555 8.3079 118.8971 52.7643 43.5158 176.8647 95 G 3.9105 9.5536 113.1722 49.4368 0.0000 174.0789 96 D 4.5750 8.0450 123.0780 51.1791 38.1319 174.4187 *98 P 3.9903 0.0000 0.0000 62.8100 32.5538 177.7483 99 F 4.9629 7.6693 115.7613 57.5786 40.0984 175.6556 100 V 3.9061 7.6100 115.2019 61.1915 32.3551 176.6832 101 T 4.3321 8.5771 115.0954 60.4573 71.3760 176.3326 102 K 3.8240 8.3879 120.7996 59.7040 32.1249 179.2709 103 E 3.9963 8.1771 117.1978 59.6741 29.3372 178.7033 104 D 4.4000 8.2997 119.9873 57.1195 40.8160 178.9530 105 V 3.6363 7.5888 118.3971 66.0369 31.4551 177.9145 106 N 4.3530 8.2352 116.2585 56.1332 38.4039 177.2217 107 K 4.1170 8.5258 120.2591 59.8797 32.0167 179.1257 108 I 3.7522 7.6388 118.2704 64.5850 37.3858 178.4174 109 I 3.9365 7.9259 120.4437 64.5690 36.8075 178.1574 110 N 4.3929 8.7943 117.0422 56.8374 38.4590 177.4150 111 T 4.2733 7.9583 115.8647 65.0015 68.5607 174.0363 112 F 4.4431 7.8455 122.4866 58.6010 39.1620 174.1327 113 K 4.4479 8.0323 126.8462 53.3991 35.4126 175.6780 114 P 3.9886 0.0000 0.0000 65.8185 31.2830 177.8075 115 N 4.4198 8.0132 113.4303 55.6767 37.4280 176.4154 116 C 4.4410 8.1313 116.6413 57.0587 39.6976 173.5747 117 K 4.4008 8.9349 120.9408 54.4739 33.0801 175.4989 118 A 4.8453 7.0873 122.7583 51.6133 21.9097 175.3947 119 V 4.6782 8.0400 123.1074 61.1676 34.1308 174.4489 120 I 4.7953 8.4372 128.9303 58.6057 39.7559 173.6342 121 P 4.9572 0.0000 0.0000 63.3528 32.9309 175.3387 122 T 5.1781 9.1195 117.0046 62.7100 73.2302 173.1445 123 H 4.8422 9.6301 124.5370 55.3719 32.6623 173.5363 124 K 3.7709 10.7800 128.2116 57.2785 29.9619 174.0287 125 G 4.3371 8.1577 112.2762 45.7731 0.0000 173.0064 126 E 4.2198 7.5797 119.0701 55.7512 30.1678 176.3112 127 R 5.0657 8.3555 120.1440 54.9712 32.5335 176.8295 128 G 4.0757 8.6693 110.1347 44.7832 0.0000 170.9419 129 N 5.3189 8.8615 117.6487 50.5989 43.4155 172.3518 130 P 4.8412 0.0000 0.0000 62.7480 32.8895 175.7350 131 V 4.1905 8.2031 121.3124 61.9537 33.4316 174.1979 132 L 4.7410 8.7157 130.4180 54.1909 43.5227 175.0020 133 I 4.7275 8.4831 127.6953 59.4588 39.6416 175.7505 134 S 4.5097 8.1109 120.6680 57.1893 64.6933 175.1678 135 K 2.0000 8.4646 121.7320 58.9610 31.5737 178.8284 136 S 4.0994 7.7758 112.0636 60.3437 63.1311 175.0733 137 L 4.5001 7.5128 121.6710 55.3660 41.9720 177.6657 138 F 4.5739 8.2982 121.5270 61.2657 38.5939 177.3806 139 N 4.0773 8.3403 119.5897 58.1745 37.6623 178.7936 140 E 4.3026 8.1792 119.7573 59.5464 29.6654 179.1807 141 I 3.7119 8.4449 118.9036 63.8218 37.8611 176.8454 142 E 4.3268 9.1015 120.9577 57.7676 29.4194 177.3955 143 K 4.4609 7.9543 118.6614 55.1348 34.0262 181.3774 144 L 4.3650 7.3462 117.0056 56.3623 41.0197 175.7511 145 R 4.4456 7.8260 116.9540 55.1606 32.8028 175.9284 146 G 4.3984 8.5039 109.4502 44.4107 0.0000 173.6826 147 D 4.9445 8.3000 117.2415 53.9461 38.4273 174.0290 148 V 4.4005 7.5130 118.8880 60.6069 35.0869 174.8325 149 G 4.0309 8.5436 122.1427 45.9610 0.0000 174.2061 150 A 4.4020 8.6413 124.0686 53.5183 19.1038 180.0428 151 R 3.8641 7.8447 119.6904 61.4476 29.3530 184.1624 152 V 3.8194 7.8420 117.3872 65.9976 31.6558 177.7819 153 I 3.8544 7.5884 118.5830 64.3979 37.0780 178.0384 154 L 4.0142 8.4745 119.9656 58.0158 41.2957 179.4514 155 N 4.5903 8.4893 113.4687 54.8837 38.2573 176.2417 156 K 4.5476 7.9435 122.0533 54.0075 34.3441 180.4270 157 I 4.4553 7.8274 112.9677 60.0474 39.5052 176.3899 158 K 4.2382 8.3500 124.2783 54.1482 32.1479 178.3233 159 I 4.0632 8.5037 117.0892 62.1283 37.5137 176.7306 160 E 4.1468 8.1666 121.5795 58.6217 30.0688 176.0605 161 E 4.9499 8.7540 119.0290 55.3110 30.2979 176.2215 162 L 4.6521 7.9562 120.7298 53.9813 45.1310 175.9857 163 C 5.0556 8.8467 124.0229 55.6939 42.7141 172.9667 164 F 5.9768 8.9614 118.7481 55.1516 42.8920 173.9221 165 I 4.6907 8.2842 112.5586 60.0310 41.0571 172.9465 166 E 5.0333 8.7551 123.0396 55.6008 30.7288 175.1377 167 C 5.1787 8.8273 123.7801 57.6003 31.7389 173.6028 168 S 4.3556 9.1326 114.6493 58.1436 63.3484 174.6844 169 E 3.5990 8.4793 120.3190 58.0407 28.9431 178.4621 170 G 3.8113 7.6225 107.6427 47.7553 0.0000 175.6683 171 V 4.1930 7.2662 122.5486 64.0020 31.2082 176.9262 172 L 4.6184 7.8496 115.5460 54.5045 43.3762 176.2374 173 I 4.3886 7.8423 120.8396 59.7677 38.1197 174.9907 174 D 4.9304 8.3950 123.5790 51.7012 42.4683 176.0867 175 I 4.3539 8.2463 126.3493 61.7629 34.5050 175.3708 176 D 4.7986 7.9210 117.5444 54.1378 43.2539 175.8009 177 K 4.5333 7.5634 121.1788 55.1387 33.1468 181.9632 178 K 4.3252 8.2689 126.9617 56.0088 31.5607 178.3875 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 2 N 8.27 4.94 0.00 2.85 2.54 0.00 0.00 6.55 6.53 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 3 I 7.75 5.43 1.88 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 1.26 1.02 0.95 0.00 0.00 4 G 8.29 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 0.00 0.00 0.00 5 V 7.97 4.46 1.86 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 0.25 0.00 0.00 0.82 0.00 0.00 6 I 8.46 4.33 1.79 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.80 0.89 0.00 0.00 7 I 8.56 4.42 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 0.84 0.47 0.86 0.00 0.00 8 L 8.60 4.60 0.00 1.60 1.58 0.92 0.43 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 9 A 8.83 4.78 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 10 A 8.35 3.78 1.30 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 0.00 0.00 0.00 11 G 7.95 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 12 E 8.29 4.69 0.00 1.94 1.77 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 2.12 1.87 0.00 *18 G 7.81 3.61 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 0.00 0.00 0.00 19 D 8.30 4.20 0.00 2.62 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 20 K 8.21 3.88 0.00 1.75 1.88 0.00 1.77 0.00 0.00 1.82 0.00 0.00 2.88 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.46 1.13 7.81 21 L 7.50 4.19 0.00 1.80 1.73 0.93 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 22 L 7.60 4.19 0.00 1.61 1.63 0.89 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 23 A 7.41 4.09 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 K 8.16 4.79 0.00 1.74 1.74 0.00 1.75 0.00 0.00 1.72 0.00 0.00 2.95 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.37 1.43 7.81 25 I 8.35 4.22 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 1.21 0.28 0.94 0.00 0.00 26 D 8.76 4.24 0.00 2.90 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 27 N 8.30 4.52 0.00 2.93 2.99 0.00 0.00 6.92 7.54 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 28 T 7.14 4.61 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 1.24 0.00 0.00 29 P 0.00 4.71 0.00 2.05 1.94 0.00 3.71 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.05 0.00 30 I 8.62 3.69 1.72 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 1.12 1.09 0.87 0.00 0.00 31 I 7.54 3.73 1.84 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 1.17 1.18 0.93 0.00 0.00 *33 R 8.13 4.17 0.00 2.03 1.96 0.00 3.18 0.00 0.00 3.22 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.58 0.00 34 T 8.27 3.88 4.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 35 I 7.83 3.91 1.89 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 1.54 1.03 0.94 0.00 0.00 36 R 7.82 4.00 0.00 1.98 1.95 0.00 3.11 0.00 0.00 3.20 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.62 0.00 37 I 7.20 3.87 1.51 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 -0.36 0.81 0.00 0.00 38 Y 7.48 4.35 0.00 3.24 2.99 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 39 G 8.84 3.89 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 0.00 0.00 0.00 40 D 9.07 4.48 0.00 2.71 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 41 L 7.31 3.86 0.00 2.02 1.70 1.02 0.91 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 42 E 8.81 4.34 0.00 2.22 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 2.64 2.46 0.00 43 K 8.08 5.34 0.00 1.73 1.79 0.00 1.30 0.00 0.00 2.33 0.00 0.00 2.89 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.35 1.25 7.81 44 I 7.77 4.22 1.71 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 1.01 1.08 0.00 0.00 45 I 8.25 4.74 1.82 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 1.20 0.45 0.88 0.00 0.00 46 I 8.51 4.78 1.84 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 1.04 0.96 0.95 0.00 0.00 47 V 8.88 4.72 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 0.98 0.00 0.00 0.93 0.00 0.00 48 G 8.44 4.04 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 0.00 0.00 0.00 49 K 7.24 3.34 0.00 1.78 1.77 0.00 1.80 0.00 0.00 1.70 0.00 0.00 2.73 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.37 1.07 7.81 50 Y 6.95 4.75 0.00 2.96 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 51 V 7.49 3.64 2.27 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 0.50 0.00 0.00 0.90 0.00 0.00 52 N 8.07 4.37 0.00 2.71 2.90 0.00 0.00 6.93 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 53 E 7.86 4.24 0.00 1.98 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.46 0.00 *55 L 7.95 4.40 0.00 1.70 1.73 0.88 1.04 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 56 P 0.00 4.29 0.00 2.02 2.10 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 2.01 2.09 0.00 57 L 7.91 3.99 0.00 1.60 1.72 0.91 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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67 P 0.00 3.96 0.00 1.52 1.88 0.00 3.41 0.00 0.00 3.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 1.34 0.00 68 F 7.67 4.75 0.00 3.16 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 69 W 7.68 4.30 0.00 3.50 3.26 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 70 N 6.91 4.43 0.00 2.32 1.42 0.00 0.00 6.01 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 71 E 8.03 4.20 0.00 2.13 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 2.22 2.31 0.00 72 G 7.85 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 73 I 8.70 3.64 1.91 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 1.60 1.34 0.96 0.00 0.00 74 S 7.61 4.17 0.00 4.16 4.36 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 75 T 8.23 3.84 4.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 76 S 8.04 4.17 0.00 4.05 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 77 L 7.88 3.97 0.00 1.88 1.72 0.93 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 78 K 7.89 3.90 0.00 1.83 1.84 0.00 1.64 0.00 0.00 1.54 0.00 0.00 3.06 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.45 1.70 7.81 79 L 7.61 4.02 0.00 1.92 1.73 1.00 1.49 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 80 G 8.22 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 81 L 8.18 3.90 0.00 1.84 1.70 0.04 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 82 R 7.97 3.85 0.00 1.95 1.82 0.00 3.16 0.00 0.00 3.16 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.95 0.00 83 F 7.73 3.82 0.00 2.68 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 0.00 0.00 0.00 84 F 7.80 4.81 0.00 2.78 2.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 K 7.76 4.23 0.00 1.90 1.90 0.00 1.76 0.00 0.00 1.70 0.00 0.00 2.93 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.53 1.48 7.81 86 D 8.21 4.73 0.00 2.83 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 87 Y 9.17 4.29 0.00 3.22 3.33 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 88 D 9.10 4.72 0.00 2.77 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 89 A 7.79 4.99 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 V 8.94 4.64 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 0.49 0.00 0.00 1.06 0.00 0.00 91 L 8.70 4.48 0.00 1.39 1.41 1.03 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 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 0.00 102 K 8.39 3.82 0.00 1.76 1.88 0.00 1.65 0.00 0.00 1.95 0.00 0.00 3.12 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.48 1.42 7.81 103 E 8.18 4.00 0.00 2.16 2.22 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 2.36 2.35 0.00 104 D 8.30 4.40 0.00 2.88 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 0.00 105 V 7.59 3.64 2.22 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 1.13 0.00 0.00 0.80 0.00 0.00 106 N 8.24 4.35 0.00 3.02 2.87 0.00 0.00 7.03 7.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 K 8.53 4.12 0.00 2.04 1.91 0.00 1.70 0.00 0.00 1.75 0.00 0.00 3.08 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.49 1.65 7.81 108 I 7.64 3.75 2.05 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.71 0.91 0.00 0.00 109 I 7.93 3.94 2.03 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 1.54 1.18 0.98 0.00 0.00 110 N 8.79 4.39 0.00 2.65 2.92 0.00 0.00 7.14 7.42 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 0.00 111 T 7.96 4.27 4.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 112 F 7.85 4.44 0.00 2.86 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 0.00 113 K 8.03 4.45 0.00 1.70 1.54 0.00 1.75 0.00 0.00 1.75 0.00 0.00 2.78 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.63 1.33 7.81 114 P 0.00 3.99 0.00 1.93 2.04 0.00 3.55 0.00 0.00 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.95 0.00 115 N 8.01 4.42 0.00 2.79 2.93 0.00 0.00 6.04 7.68 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 0.00 116 C 8.13 4.44 0.00 3.23 3.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 K 8.93 4.40 0.00 2.06 1.78 0.00 1.76 0.00 0.00 1.74 0.00 0.00 2.89 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.35 1.30 7.81 118 A 7.09 4.85 1.17 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 0.00 0.00 119 V 8.04 4.68 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 1.04 0.00 0.00 120 I 8.44 4.80 1.58 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 1.19 0.78 1.01 0.00 0.00 121 P 0.00 4.96 0.00 2.16 2.22 0.00 3.75 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.05 0.00 122 T 9.12 5.18 4.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 123 H 9.63 4.84 0.00 3.23 3.17 0.00 5.93 0.00 0.00 0.00 0.00 6.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 K 10.78 3.77 0.00 1.77 1.71 0.00 1.66 0.00 0.00 1.64 0.00 0.00 2.73 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.24 0.88 7.81 125 G 8.16 4.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 126 E 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0.00 0.00 0.00 0.00 0.00 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 K 8.46 2.00 0.00 1.92 1.66 0.00 1.91 0.00 0.00 1.72 0.00 0.00 3.07 0.00 0.00 3.50 0.00 0.00 0.00 0.00 1.35 1.47 7.81 136 S 7.78 4.10 0.00 4.02 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 0.00 137 L 7.51 4.50 0.00 1.82 1.76 0.92 0.83 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 0.00 138 F 8.30 4.57 0.00 3.11 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 0.00 139 N 8.34 4.08 0.00 2.81 2.78 0.00 0.00 6.68 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 0.00 140 E 8.18 4.30 0.00 2.11 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 2.42 2.32 0.00 141 I 8.44 3.71 1.95 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.66 1.14 0.00 0.00 142 E 9.10 4.33 0.00 2.07 2.15 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 2.32 2.31 0.00 143 K 7.95 4.46 0.00 1.77 1.66 0.00 1.86 0.00 0.00 1.75 0.00 0.00 2.95 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.28 1.20 7.81 144 L 7.35 4.36 0.00 1.70 1.73 0.99 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 145 R 7.83 4.45 0.00 1.74 1.79 0.00 3.32 0.00 0.00 3.18 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.73 0.00 146 G 8.50 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 0.00 147 D 8.30 4.94 0.00 2.66 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 0.00 148 V 7.51 4.40 2.24 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 0.89 0.00 0.00 0.94 0.00 0.00 149 G 8.54 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 0.00 0.00 0.00 150 A 8.64 4.40 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 151 R 7.84 3.86 0.00 1.83 1.95 0.00 3.28 0.00 0.00 3.26 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.26 0.00 152 V 7.84 3.82 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 1.04 0.00 0.00 0.94 0.00 0.00 153 I 7.59 3.85 2.04 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 1.66 0.88 0.98 0.00 0.00 154 L 8.47 4.01 0.00 1.78 1.73 0.91 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 155 N 8.49 4.59 0.00 2.66 2.87 0.00 0.00 6.79 7.61 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 0.00 156 K 7.94 4.55 0.00 1.76 1.67 0.00 1.79 0.00 0.00 1.75 0.00 0.00 2.96 0.00 0.00 2.72 0.00 0.00 0.00 0.00 1.27 1.20 7.81 157 I 7.83 4.46 1.88 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 1.34 1.08 0.91 0.00 0.00 158 K 8.35 4.24 0.00 1.71 1.73 0.00 1.81 0.00 0.00 1.87 0.00 0.00 2.87 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.44 0.99 7.81 159 I 8.50 4.06 2.06 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.07 1.03 0.00 0.00 160 E 8.17 4.15 0.00 1.98 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 2.31 2.35 0.00 161 E 8.75 4.95 0.00 1.87 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 2.21 2.22 0.00 162 L 7.96 4.65 0.00 1.72 1.51 0.94 0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 163 C 8.85 5.06 0.00 2.93 3.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 164 F 8.96 5.98 0.00 2.79 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 0.00 165 I 8.28 4.69 1.93 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 1.37 0.98 0.00 0.00 166 E 8.76 5.03 0.00 1.90 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 2.37 2.33 0.00 167 C 8.83 5.18 0.00 2.80 3.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 168 S 9.13 4.36 0.00 3.95 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 0.00 169 E 8.48 3.60 0.00 1.88 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.32 0.00 170 G 7.62 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 0.00 0.00 0.00 171 V 7.27 4.19 2.27 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 1.55 0.00 0.00 1.01 0.00 0.00 172 L 7.85 4.62 0.00 1.84 1.69 1.03 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 173 I 7.84 4.39 2.00 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.74 0.96 0.00 0.00 174 D 8.40 4.93 0.00 3.02 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 0.00 175 I 8.25 4.35 1.87 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 1.33 0.56 0.93 0.00 0.00 176 D 7.92 4.80 0.00 2.74 3.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177 K 7.56 4.53 0.00 1.82 1.59 0.00 1.99 0.00 0.00 1.74 0.00 0.00 2.80 0.00 0.00 2.66 0.00 0.00 0.00 0.00 1.27 1.21 7.81 178 K 8.27 4.33 0.00 1.93 1.70 0.00 1.81 0.00 0.00 1.74 0.00 0.00 2.88 0.00 0.00 2.66 0.00 0.00 0.00 0.00 1.25 0.99 7.81 * Residues marked with a * may have inaccurate shift predictions.