NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.5298 8.3349 115.5599 57.6367 64.5159 173.6172 2 K 4.6891 8.0818 118.4097 53.9700 35.5438 174.0505 3 K 4.9673 10.2527 125.7787 55.3360 34.1390 174.9958 4 I 4.2938 9.0293 127.4323 59.2569 39.6075 175.2650 5 G 4.1358 8.4144 114.7754 44.5510 0.0000 172.8462 6 I 4.3087 8.8683 129.1511 60.7284 38.5403 175.2111 7 F 4.6910 9.6019 131.1875 56.3038 40.5667 174.8168 8 G 4.5504 8.4040 112.9572 44.6888 0.0000 170.7911 9 G 3.2644 7.5900 106.8670 46.3197 0.0000 173.2416 10 T 4.4664 7.6195 108.2326 61.2160 70.1691 175.0646 11 F 3.7665 7.0809 119.4550 58.8924 36.5795 175.3875 12 D 5.1505 7.5823 117.9522 51.6976 41.2394 171.8752 13 P 5.1859 0.0000 0.0000 59.2067 34.1376 174.2885 14 P 4.7667 0.0000 0.0000 62.9906 31.9686 175.3450 15 H 5.0197 8.4442 114.9649 53.2310 31.7441 173.8115 16 N 4.6090 9.0546 116.6610 56.6038 38.0905 177.9793 17 G 3.5456 8.0047 106.7054 47.8642 0.0000 175.4558 18 H 4.5948 8.2399 118.4350 58.8744 28.8632 177.8577 19 L 4.3975 8.2241 120.3206 57.7975 41.5971 179.1293 20 L 4.0840 8.5269 120.6093 58.5107 42.0801 178.6741 21 M 3.9806 8.2169 117.8329 58.5812 32.1454 177.9416 22 A 3.4259 7.8060 120.8610 55.0609 18.4730 179.1840 23 N 4.5701 8.5766 115.5733 56.8113 39.0119 177.0758 24 E 4.0414 8.3663 120.1222 59.4451 29.5276 179.4799 25 V 3.5143 7.8803 118.3605 65.6442 31.5000 177.5324 26 L 3.8498 7.9885 120.1827 58.5071 41.7848 178.5380 27 Y 4.0045 8.0714 119.0529 60.9492 38.6266 177.7784 28 Q 3.6865 8.5021 117.5924 58.0506 28.9615 176.8905 29 A 4.2891 8.0709 118.9001 50.6683 19.4657 176.7898 30 G 3.7977 7.1312 104.7289 47.0382 0.0000 173.5050 31 L 4.3482 7.5998 116.7528 53.4957 43.8405 176.8714 32 D 4.7623 8.5674 119.5055 56.0359 42.1005 176.9766 33 E 5.1548 7.8706 115.2881 54.8643 34.8551 174.3911 34 I 4.8567 9.0972 121.6785 59.4707 40.7786 174.6536 35 W 5.4088 9.4115 127.5750 55.1303 31.1949 175.4829 36 F 4.5472 9.9873 125.7893 57.3717 39.5274 174.7541 37 M 5.4089 9.4590 126.3731 52.1511 32.9890 172.5747 38 P 5.2278 0.0000 0.0000 62.5635 32.4917 176.2856 39 N 5.3154 9.2700 121.8488 51.8491 39.4247 173.4966 40 Q 4.5464 8.2919 118.2629 54.2563 32.2606 173.3504 41 I 4.3104 8.1675 123.6303 58.7262 39.6319 175.0052 42 P 4.4412 0.0000 0.0000 61.9815 29.6726 174.8728 *52 D 4.4978 7.5608 123.4671 54.9413 43.8927 177.0696 53 S 4.1713 8.1313 114.4529 61.8423 62.8728 176.9037 54 F 4.4554 8.2938 116.4456 60.1695 37.4472 177.1451 55 H 4.0949 7.0871 118.1924 58.0784 28.4434 177.9246 56 R 3.8839 7.6671 119.4651 59.1323 29.9928 179.0669 57 V 3.5334 8.1989 118.4777 66.0812 31.6430 178.0183 58 E 3.8569 8.2662 118.4205 59.5709 29.1660 179.2690 59 M 3.6930 7.9069 119.0889 57.9075 31.8738 178.8158 60 L 3.7320 7.7945 119.1724 57.6961 41.8734 179.4530 61 K 3.7367 7.7818 118.2829 59.6408 31.7655 179.3472 62 L 3.9244 7.4452 117.2845 57.7207 41.6003 179.1347 63 A 4.1172 7.9623 120.3146 54.5855 18.5669 178.9534 64 I 4.0930 7.9318 110.4545 62.2187 37.9369 178.5102 65 Q 3.7520 7.5828 119.9819 59.4343 28.4343 178.9059 66 S 4.2721 7.9395 109.7337 58.9553 63.0103 173.7687 67 N 4.6037 8.3332 120.7440 50.6615 39.2664 172.6419 68 P 4.3197 0.0000 0.0000 65.7859 31.6879 177.8636 69 S 4.5497 7.8815 112.0410 59.5673 63.9221 173.7787 70 F 5.8136 8.3540 119.8885 56.2194 40.3931 175.3879 71 K 4.7395 9.4974 121.4246 54.5959 36.9820 174.5987 72 L 4.9085 8.2652 123.2341 53.3899 43.9978 174.9231 73 E 4.3041 9.3140 128.2780 54.3041 31.6031 175.6375 74 L 4.8030 8.1995 127.0776 54.4142 42.4220 178.9127 75 V 4.2518 7.7556 121.3124 64.3969 31.3987 177.9760 76 E 4.3584 8.1643 118.2200 58.1268 29.5757 178.0920 77 M 4.2746 7.9917 118.1232 56.6947 32.9102 176.8421 78 E 4.0963 7.7819 118.8229 55.7375 30.1983 176.3863 79 R 4.0984 8.4538 122.2207 57.8837 30.4333 175.9861 80 E 3.8174 9.0468 123.1983 57.2481 27.0682 174.8716 81 G 3.8681 8.0741 107.7966 44.3364 0.0000 172.4630 82 P 4.6797 0.0000 0.0000 62.4637 32.2020 176.2864 83 S 4.4973 8.3143 110.1220 58.0328 65.5749 174.6977 84 Y 4.3208 7.8679 118.8936 57.1628 39.5278 175.9113 85 T 3.8238 8.7676 121.7063 67.0342 68.6071 176.1056 86 F 3.9558 8.3452 121.5479 61.5022 39.3140 176.8186 87 D 4.3449 8.2401 117.7635 57.6699 40.8239 178.6572 88 T 3.8846 8.2865 116.6266 66.7309 68.4093 176.9182 89 V 3.5903 8.4136 120.5352 65.9918 31.6165 178.1121 90 S 3.8976 7.8768 114.9470 61.4221 62.6409 176.5402 91 L 3.9477 8.0373 122.8832 58.2421 41.8667 178.9510 92 L 4.2768 8.0319 118.9304 57.9614 41.3329 179.7583 93 K 4.0515 8.1922 117.8549 59.3696 31.9992 178.8816 94 Q 4.0957 7.7462 118.7831 58.7990 29.0338 177.7400 95 R 4.0742 7.8697 118.1688 57.3275 31.9544 176.2867 96 Y 4.8784 8.1273 115.3725 55.9749 38.3079 174.6670 97 P 4.4095 0.0000 0.0000 65.1892 32.1563 177.8414 98 N 4.6486 8.1487 113.1212 53.8373 39.1104 174.3941 99 D 4.8993 7.7328 117.7590 52.9089 43.5512 175.8459 100 Q 4.3654 9.3699 123.0446 54.7220 30.3591 174.3149 101 L 4.8876 8.1832 126.7031 53.6779 43.4332 176.2859 102 F 4.9431 9.4296 120.7394 55.5627 43.4122 173.5797 103 F 4.7638 8.7750 124.0852 56.3447 41.6775 174.0243 104 I 4.6489 7.3092 127.6580 60.3672 38.1175 175.1675 105 I 4.7290 8.6515 119.6309 58.9590 42.0530 174.3341 106 G 4.1074 8.6718 109.1525 45.8359 0.0000 175.0612 107 A 4.3361 9.2442 127.7413 54.4045 18.9270 178.1573 108 D 4.6124 8.0147 113.8209 53.5737 40.4607 177.8298 109 M 4.0205 7.8752 120.7319 58.3564 31.8389 176.8011 110 I 4.3837 7.4394 108.9742 60.4426 38.1106 176.9121 111 E 3.8931 7.6661 122.4804 59.5533 29.1348 177.4613 112 Y 4.7281 7.1960 112.9466 57.6304 38.4819 175.3247 113 L 4.4257 7.4572 120.2166 53.3638 42.5849 175.1485 114 P 4.6328 0.0000 0.0000 60.8282 32.9666 175.2776 115 K 3.7811 8.4673 118.8232 57.1000 32.2233 176.1007 116 W 5.1924 8.6543 134.7210 55.3277 33.7401 174.7622 117 Y 4.4738 8.7019 124.9488 61.1497 37.5246 178.5450 118 K 3.6512 7.6241 119.0084 59.1581 31.9493 178.9245 119 L 3.5865 6.9352 119.8843 58.1262 42.1388 178.5193 120 D 4.3583 8.0886 118.8410 57.3643 40.5121 178.5613 121 E 3.9581 8.2824 118.5744 59.3844 29.9023 178.9564 122 L 4.2333 7.6469 119.7192 58.2464 41.9916 179.0469 123 L 3.7820 7.8427 117.8724 57.0563 41.5417 178.1729 124 N 4.5891 7.9883 115.3427 54.7608 39.1483 176.2621 125 L 4.1309 7.5495 120.9274 57.2460 42.6572 176.3349 126 I 4.5199 6.9246 115.9677 59.1623 41.4460 174.2249 127 Q 4.1779 8.4201 129.6900 56.2661 30.0885 174.7400 128 F 4.8643 9.1479 125.7145 56.9191 41.1391 174.6177 129 I 4.7969 8.9697 124.3544 59.5465 39.7250 174.7469 130 G 4.2622 9.1536 116.0154 44.7856 0.0000 172.6913 131 V 4.7407 9.0205 127.4749 62.2892 33.1419 175.0352 132 K 4.9679 8.9806 125.5686 55.4044 36.6063 175.4083 133 R 4.6112 8.2047 119.0989 54.2842 30.9758 175.1283 134 P 4.0818 0.0000 0.0000 64.5698 32.1569 177.8191 135 G 3.7957 8.6858 111.0454 45.6924 0.0000 168.5134 136 F 3.6504 8.6126 125.3034 57.0294 39.1897 174.0492 137 H 4.6763 8.7857 120.6531 53.9462 31.0241 174.1390 138 V 4.2162 7.9091 124.1484 60.7849 32.2478 175.8111 139 E 3.8499 9.8347 126.8327 58.9532 28.2394 180.3388 140 T 3.4995 8.3094 118.6690 62.0280 67.4715 171.0767 141 P 4.4133 0.0000 0.0000 62.7478 31.8061 175.4535 142 Y 4.6517 8.0017 118.7121 56.3003 41.6247 172.6329 143 P 4.4047 0.0000 0.0000 62.8842 31.1546 175.9445 144 L 4.6150 8.0795 124.9700 53.5353 45.1654 174.3338 145 L 4.4491 8.5889 128.5011 53.9899 43.6883 175.1792 146 F 5.5294 8.7633 123.5836 55.8622 41.9694 174.9500 147 A 4.7474 8.7371 122.4489 50.4268 22.1192 174.9348 148 D 5.0414 9.5738 124.2674 53.9273 41.4068 176.3776 149 V 4.4804 8.8110 124.2647 60.0687 34.5859 173.2741 150 P 4.4254 0.0000 0.0000 62.1727 31.7901 175.8313 151 E 3.9330 8.7235 124.2664 56.3003 29.8945 175.8862 152 F 4.8512 8.5362 127.4907 56.4954 41.2761 174.7105 153 E 4.3722 8.9306 133.5222 55.4225 27.8000 176.2352 154 V 4.3502 6.9293 119.0910 59.3556 34.8991 176.3092 155 S 4.5914 7.7698 115.2698 55.9633 67.3195 175.3058 156 S 4.1408 8.5595 118.5024 62.0378 62.6219 177.1169 157 T 3.7763 7.7530 117.9818 66.8000 68.2776 176.1572 158 M 3.9697 8.0561 120.0658 58.6214 32.2047 178.3680 159 I 3.5004 7.5974 119.9361 64.2962 37.1889 178.5621 160 R 3.6578 7.9584 119.0282 59.3702 29.8227 179.0776 161 E 3.9886 8.0941 118.1898 59.2926 29.4042 179.6145 162 R 3.9135 7.8621 119.5945 58.6537 30.1515 179.1154 163 F 4.3306 8.1786 117.5450 60.5702 38.7171 177.8707 164 K 4.1178 8.3077 117.4248 59.2243 31.6860 178.6725 165 S 4.4931 8.7516 112.6293 57.4410 63.1466 174.3647 166 K 3.6590 7.7227 120.2312 57.7683 29.8463 175.7416 167 K 4.4732 8.1525 117.0601 54.1987 33.6038 175.3679 168 P 4.3628 0.0000 0.0000 63.3024 31.8851 176.6075 169 T 4.4114 8.0863 109.0401 60.8956 69.6969 173.4661 170 D 4.2695 7.8669 121.9758 56.3166 41.0921 176.2916 171 Y 3.8465 8.1244 118.5846 58.5469 35.9950 169.8922 172 L 4.7437 7.9810 120.2999 54.8718 43.7986 176.3408 173 I 5.0508 7.3056 109.3311 57.2673 40.8460 173.6478 174 P 4.4580 0.0000 0.0000 62.4480 33.0675 177.2847 175 D 4.4210 8.8151 121.4584 57.8955 40.7933 179.6707 176 K 4.0256 8.0312 118.1854 59.2772 32.0478 179.5186 177 V 3.6441 7.6570 118.3113 65.6781 31.6090 177.7847 178 K 4.1373 8.3423 119.5370 59.5831 32.0932 178.6135 179 K 3.9541 8.4390 120.1933 59.7551 31.6846 178.1314 180 Y 3.9295 8.1681 119.9016 60.4205 38.7260 177.9997 181 V 3.4416 7.9978 119.4150 65.9304 31.4683 177.9662 182 E 3.8512 8.1521 118.3089 59.4738 29.0999 179.2386 183 E 3.9251 7.9195 117.5079 58.6128 29.4487 178.1049 184 N 4.6894 7.3793 113.8805 51.6048 38.9276 174.9030 185 G 4.1160 7.3893 107.5639 45.9605 0.0000 174.4199 186 L 3.8562 7.2796 117.6178 54.5021 42.4652 176.1675 187 Y 3.8766 7.6119 115.1536 59.2184 35.7404 171.2115 188 E 4.2419 7.9773 122.7902 56.6967 29.7795 176.9225 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 S 8.33 4.53 0.00 3.94 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 0.00 2 K 8.08 4.69 0.00 1.92 1.64 0.00 1.82 0.00 0.00 1.76 0.00 0.00 2.96 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.38 1.55 7.81 3 K 10.25 4.97 0.00 1.60 1.66 0.00 1.76 0.00 0.00 1.61 0.00 0.00 2.87 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.71 1.45 7.81 4 I 9.03 4.29 1.16 0.00 0.00 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 -0.17 -1.21 0.00 0.00 5 G 8.41 4.14 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 0.00 0.00 0.00 6 I 8.87 4.31 1.86 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 1.31 1.17 1.05 0.00 0.00 7 F 9.60 4.69 0.00 2.54 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 8 G 8.40 4.55 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 0.00 0.00 0.00 9 G 7.59 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 0.00 0.00 0.00 10 T 7.62 4.47 4.18 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 1.10 0.00 0.00 11 F 7.08 3.77 0.00 3.25 2.97 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 12 D 7.58 5.15 0.00 2.62 2.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 P 0.00 5.19 0.00 2.40 2.41 0.00 3.36 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.09 0.00 14 P 0.00 4.77 0.00 2.10 2.04 0.00 3.74 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 2.11 0.00 15 H 8.44 5.02 0.00 3.45 3.40 0.00 5.67 0.00 0.00 0.00 0.00 6.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 N 9.05 4.61 0.00 2.97 3.28 0.00 0.00 7.34 7.02 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 17 G 8.00 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 0.00 0.00 0.00 18 H 8.24 4.59 0.00 3.67 3.83 0.00 5.65 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 19 L 8.22 4.40 0.00 2.06 2.04 1.12 0.74 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 20 L 8.53 4.08 0.00 2.02 2.11 1.00 1.04 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 21 M 8.22 3.98 0.00 1.96 2.15 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.35 0.00 22 A 7.81 3.43 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 N 8.58 4.57 0.00 3.22 2.95 0.00 0.00 7.25 6.95 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 24 E 8.37 4.04 0.00 2.19 2.02 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 2.60 2.50 0.00 25 V 7.88 3.51 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 0.87 0.00 0.00 0.78 0.00 0.00 26 L 7.99 3.85 0.00 2.02 2.04 1.02 0.83 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 27 Y 8.07 4.00 0.00 3.14 2.97 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 28 Q 8.50 3.69 0.00 2.15 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.81 0.00 0.00 0.00 0.00 0.00 2.49 2.60 0.00 29 A 8.07 4.29 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 G 7.13 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 31 L 7.60 4.35 0.00 1.47 1.54 0.55 -0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 32 D 8.57 4.76 0.00 2.64 2.73 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 33 E 7.87 5.15 0.00 1.92 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.43 0.00 34 I 9.10 4.86 1.95 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.20 0.52 0.00 0.00 35 W 9.41 5.41 0.00 3.17 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 36 F 9.99 4.55 0.00 2.69 2.30 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 37 M 9.46 5.41 0.00 2.11 2.08 0.00 0.00 0.00 0.00 0.00 2.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.74 2.38 0.00 38 P 0.00 5.23 0.00 2.17 2.25 0.00 3.68 0.00 0.00 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.08 0.00 39 N 9.27 5.32 0.00 2.71 2.97 0.00 0.00 6.22 7.01 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 40 Q 8.29 4.55 0.00 1.97 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.73 6.77 0.00 0.00 0.00 0.00 0.00 2.23 2.33 0.00 41 I 8.17 4.31 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 1.47 0.89 0.92 0.00 0.00 42 P 0.00 4.44 0.00 2.22 2.07 0.00 3.83 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.93 0.00 *52 D 7.56 4.50 0.00 2.80 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 53 S 8.13 4.17 0.00 3.96 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 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0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 63 A 7.96 4.12 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 64 I 7.93 4.09 1.78 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.10 0.03 0.00 0.00 65 Q 7.58 3.75 0.00 2.21 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 7.13 0.00 0.00 0.00 0.00 0.00 2.37 2.63 0.00 66 S 7.94 4.27 0.00 3.83 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 67 N 8.33 4.60 0.00 2.24 2.05 0.00 0.00 7.16 7.25 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 68 P 0.00 4.32 0.00 2.04 2.11 0.00 3.60 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.09 0.00 69 S 7.88 4.55 0.00 3.72 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 70 F 8.35 5.81 0.00 2.90 2.70 0.00 0.00 0.00 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 0.00 129 I 8.97 4.80 1.80 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 1.17 0.84 0.88 0.00 0.00 130 G 9.15 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 0.00 0.00 0.00 131 V 9.02 4.74 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 0.94 0.00 0.00 0.85 0.00 0.00 132 K 8.98 4.97 0.00 1.84 1.94 0.00 1.44 0.00 0.00 1.63 0.00 0.00 2.40 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.43 1.55 7.81 133 R 8.20 4.61 0.00 1.08 1.60 0.00 2.74 0.00 0.00 3.77 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.26 0.00 134 P 0.00 4.08 0.00 2.08 2.07 0.00 3.68 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.13 0.00 135 G 8.69 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 0.00 136 F 8.61 3.65 0.00 3.31 3.15 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 0.00 137 H 8.79 4.68 0.00 3.13 3.14 0.00 5.88 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 138 V 7.91 4.22 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 1.08 0.00 0.00 1.02 0.00 0.00 139 E 9.83 3.85 0.00 2.17 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 2.36 2.33 0.00 140 T 8.31 3.50 4.61 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 1.25 0.00 0.00 141 P 0.00 4.41 0.00 1.88 1.95 0.00 3.57 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 2.08 0.00 142 Y 8.00 4.65 0.00 2.93 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 0.00 143 P 0.00 4.40 0.00 2.07 2.06 0.00 3.78 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.12 0.00 144 L 8.08 4.61 0.00 1.62 0.61 0.91 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 145 L 8.59 4.45 0.00 1.85 1.48 0.95 0.61 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 0.00 146 F 8.76 5.53 0.00 2.98 2.96 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 0.00 147 A 8.74 4.75 1.19 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 0.00 0.00 148 D 9.57 5.04 0.00 2.69 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 0.00 149 V 8.81 4.48 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 0.92 0.00 0.00 150 P 0.00 4.43 0.00 2.08 1.96 0.00 3.76 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.08 0.00 151 E 8.72 3.93 0.00 1.89 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 2.33 2.30 0.00 152 F 8.54 4.85 0.00 2.91 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 0.00 153 E 8.93 4.37 0.00 2.02 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 2.28 2.29 0.00 154 V 6.93 4.35 1.45 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 -0.16 0.00 0.00 0.46 0.00 0.00 155 S 7.77 4.59 0.00 3.95 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 0.00 156 S 8.56 4.14 0.00 3.87 4.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 157 T 7.75 3.78 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 1.18 0.00 0.00 158 M 8.06 3.97 0.00 1.99 1.99 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.44 0.00 159 I 7.60 3.50 1.91 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 1.72 0.75 0.83 0.00 0.00 160 R 7.96 3.66 0.00 1.86 1.85 0.00 3.13 0.00 0.00 3.24 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.57 0.00 161 E 8.09 3.99 0.00 1.97 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 0.00 2.53 2.48 0.00 162 R 7.86 3.91 0.00 1.78 1.76 0.00 2.99 0.00 0.00 3.37 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.68 0.00 163 F 8.18 4.33 0.00 3.31 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 0.00 164 K 8.31 4.12 0.00 1.93 1.93 0.00 1.95 0.00 0.00 1.81 0.00 0.00 3.17 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.59 1.82 7.81 165 S 8.75 4.49 0.00 4.01 4.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 166 K 7.72 3.66 0.00 1.99 1.98 0.00 1.71 0.00 0.00 1.73 0.00 0.00 3.03 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.43 1.44 7.81 167 K 8.15 4.47 0.00 1.63 1.69 0.00 1.68 0.00 0.00 1.68 0.00 0.00 2.98 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.41 1.38 7.81 168 P 0.00 4.36 0.00 2.03 2.14 0.00 3.59 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.07 0.00 169 T 8.09 4.41 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 0.36 0.00 0.00 170 D 7.87 4.27 0.00 2.44 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 0.00 0.00 0.00 171 Y 8.12 3.85 0.00 3.23 3.15 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 0.00 172 L 7.98 4.74 0.00 1.82 1.58 0.88 0.83 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 0.00 173 I 7.31 5.05 1.98 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.72 0.94 0.00 0.00 174 P 0.00 4.46 0.00 2.22 2.05 0.00 3.70 0.00 0.00 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.40 0.00 175 D 8.82 4.42 0.00 2.77 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 0.00 176 K 8.03 4.03 0.00 1.82 1.88 0.00 1.67 0.00 0.00 1.75 0.00 0.00 2.92 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.55 1.51 7.81 177 V 7.66 3.64 2.33 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 1.20 0.00 0.00 0.99 0.00 0.00 178 K 8.34 4.14 0.00 2.02 2.08 0.00 1.75 0.00 0.00 1.62 0.00 0.00 3.09 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.57 1.76 7.81 179 K 8.44 3.95 0.00 1.94 2.01 0.00 1.71 0.00 0.00 1.61 0.00 0.00 3.02 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.46 1.46 7.81 180 Y 8.17 3.93 0.00 3.25 3.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 181 V 8.00 3.44 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.15 0.00 0.00 1.02 0.00 0.00 182 E 8.15 3.85 0.00 2.02 1.94 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 2.34 2.63 0.00 183 E 7.92 3.93 0.00 1.71 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 2.28 2.61 0.00 184 N 7.38 4.69 0.00 2.24 2.45 0.00 0.00 7.08 8.51 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 0.00 185 G 7.39 4.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 186 L 7.28 3.86 0.00 1.10 0.44 0.57 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 187 Y 7.61 3.88 0.00 3.02 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 0.00 188 E 7.98 4.24 0.00 2.13 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 2.36 2.28 0.00 * Residues marked with a * may have inaccurate shift predictions.