NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 R 4.2604 8.2501 119.7111 56.1080 31.5916 174.0689 2 A 4.3782 8.1388 121.5744 50.2642 20.0563 172.3749 3 V 3.7077 9.0720 115.8852 60.8687 32.8396 173.2487 4 P 4.3736 0.0000 0.0000 63.2425 31.7641 174.5598 5 G 4.1530 8.2710 105.7925 44.6171 0.0000 172.7758 6 G 4.0148 8.8681 105.0850 43.6528 0.0000 176.2699 7 S 3.9896 8.9310 125.5812 58.5754 62.3898 173.6582 8 S 4.2751 8.4764 120.8743 56.9567 62.7582 172.4228 9 P 4.3163 0.0000 0.0000 61.7398 33.0925 176.7553 10 A 4.3027 7.9914 119.1958 51.7225 14.7781 178.1366 11 W 4.8115 7.1527 127.6181 59.3543 29.9918 178.3482 12 T 3.9828 8.1856 115.1771 66.8703 67.9309 176.4627 13 Q 3.9772 7.9643 119.2418 59.2065 28.6347 178.7794 14 C 3.6709 9.1005 118.1174 62.5892 28.0645 175.4758 15 Q 4.4797 9.9990 121.1231 59.6643 28.6026 178.9366 16 Q 4.0525 8.2190 118.2108 59.3223 28.4218 178.4131 17 L 3.9664 7.8369 120.5541 57.2717 41.8208 179.4132 18 S 4.2319 9.0347 115.4136 61.6424 62.8504 176.1138 19 Q 3.9713 8.4704 124.8241 58.6198 28.7813 179.1584 20 K 4.0358 8.0770 120.2447 59.4163 32.1426 178.6029 21 L 3.9996 8.7735 120.3784 58.1075 41.4029 179.3788 22 C 4.3918 7.6285 113.6080 62.9356 28.3505 176.1714 23 T 4.1656 7.8325 117.3571 66.6250 68.1018 176.5370 24 L 3.9971 7.9209 119.9164 57.8720 41.8346 178.3745 25 A 4.3319 8.0381 118.6891 52.5578 18.4633 177.4449 26 W 4.7261 7.9218 115.5337 56.3592 29.0131 177.7756 27 S 3.9270 7.8635 113.2562 59.2450 62.8015 173.1926 28 A 3.9853 8.2452 126.1240 52.4805 18.3754 176.6076 29 H 4.7547 7.6951 119.7866 53.4535 32.3105 172.2567 30 P 4.2351 0.0000 0.0000 66.1357 31.0185 177.4590 31 L 4.1513 8.0520 117.8975 56.7920 42.0680 178.8072 32 V 3.4730 7.6935 117.4436 64.9929 31.9356 176.9263 33 G 3.6363 8.9597 106.8636 45.2366 0.0000 172.2911 34 H 4.6139 8.5214 119.1224 54.1516 28.6498 174.8422 35 M 4.0886 8.6982 124.3331 56.0848 32.2563 176.1312 36 D 4.9628 9.3351 122.1453 51.4430 44.8446 175.7934 37 L 5.5363 9.0360 135.0000 57.2833 41.1700 174.6122 38 R 3.7651 7.9820 118.7157 57.2803 29.1569 178.3986 39 E 4.2673 8.6807 121.8478 55.6547 30.8516 173.5771 40 E 4.0054 8.4964 112.2781 57.8820 28.5197 174.2585 *48 D 4.3961 8.0588 114.8040 52.9615 40.2309 173.9596 49 V 3.3457 6.7529 119.3686 59.6714 33.4921 171.7484 50 P 4.3325 0.0000 0.0000 62.8158 31.9933 175.4072 51 H 5.0099 8.0965 115.4913 54.4862 32.5889 173.9603 52 I 4.1373 8.6681 124.4255 60.9493 36.6698 175.8519 53 Q 4.4683 9.1975 126.0372 54.1158 30.2834 176.4099 54 C 3.8547 8.6924 118.5614 63.3410 31.3062 174.7037 55 G 3.8262 7.9041 104.8257 46.3596 0.0000 173.3092 56 D 4.6953 8.2114 119.3637 53.8347 40.8957 177.6039 57 G 4.0217 8.0553 106.2744 46.6877 0.0000 174.4266 58 C 4.4290 8.0325 115.4787 59.8270 28.9910 174.2922 59 D 4.5015 7.9861 121.6459 52.6403 40.7780 175.3306 60 P 4.1091 0.0000 0.0000 65.8529 30.9614 178.6263 61 Q 4.1085 8.1098 116.4464 58.9916 28.7115 179.0315 62 G 3.6043 8.4077 106.7157 47.7388 0.0000 175.4865 63 L 4.5205 8.2030 122.1880 56.9755 41.6530 179.5244 64 R 4.0600 7.5632 117.7567 59.4141 30.1881 177.7345 65 D 4.5383 7.4419 116.5400 57.1955 41.5444 176.2379 66 N 4.9055 8.4813 115.6509 54.3212 42.1312 173.8033 67 S 4.9119 8.2073 112.4806 57.2942 65.2392 178.0033 68 Q 3.9652 7.9523 123.6009 59.4027 28.6719 177.3332 69 F 3.8860 8.2250 119.9682 61.7950 39.7502 175.8241 70 C 4.4022 8.4118 118.9535 61.9100 31.2397 174.9959 71 L 3.9549 8.6419 120.5422 58.3039 41.3762 179.7152 72 Q 3.9006 8.5816 119.5137 59.0314 28.9512 178.2884 73 R 3.8133 8.1639 120.1967 59.3585 30.1743 178.2785 74 I 4.0128 7.9028 119.2245 65.0195 37.1052 177.4687 75 H 4.1620 8.5043 118.8521 59.2884 29.5337 176.8255 76 Q 4.0388 8.1467 121.4000 59.2226 28.9075 178.4593 77 G 3.1997 8.6178 106.8758 47.7320 0.0000 175.1574 78 L 4.1246 8.6940 122.5616 57.5856 41.7825 179.7321 79 I 3.5563 8.0051 119.7000 64.4463 37.0684 178.3417 80 F 3.6023 8.2266 121.3451 61.1947 39.1623 176.8191 81 Y 3.7803 8.3284 116.6714 60.9645 37.7435 177.8472 82 E 3.6370 8.6456 120.9632 59.4638 29.5673 178.9493 83 K 3.6442 7.7348 117.8435 59.4542 31.8851 178.8128 84 L 3.7236 7.0062 117.7030 58.1873 41.7153 179.3989 85 L 2.9021 7.6328 117.3992 57.4948 41.5082 179.7339 86 G 3.7105 7.5944 104.9310 46.6241 0.0000 174.1588 87 S 4.2239 7.4978 115.9201 57.7494 63.4563 175.0014 88 D 4.6733 8.4758 118.4747 54.8670 39.2796 178.3949 89 I 3.6008 8.0049 121.6482 64.7570 37.0878 176.9722 90 F 4.4271 8.2352 114.3499 57.7329 39.0564 176.4868 91 T 4.4038 7.5853 110.7606 61.4735 70.4281 174.7255 92 G 3.8581 8.3038 112.5262 44.9380 0.0000 172.0513 93 E 4.6122 8.1265 119.6713 53.8944 31.2314 173.3731 94 P 4.3007 0.0000 0.0000 64.2916 29.8311 175.9319 95 S 4.0676 6.7749 113.8808 59.9613 62.0980 174.1305 96 L 4.7533 8.1364 126.1864 52.0780 43.7486 176.8798 97 L 4.1425 8.3271 123.5912 55.0362 40.5803 176.1574 98 P 4.3992 0.0000 0.0000 64.4126 31.3454 177.0291 99 D 4.6590 7.7862 117.7624 53.8099 40.6832 176.8522 100 S 4.3529 8.0105 115.7101 57.4823 63.6708 173.2323 101 P 4.2320 0.0000 0.0000 66.2070 30.9396 179.1057 102 V 3.7942 7.5535 117.3011 65.8016 31.4084 178.0446 103 G 3.6491 8.1733 107.1550 47.4372 0.0000 175.5484 104 Q 4.0790 8.1645 120.7308 58.7348 28.7139 178.0005 105 L 4.0919 7.8238 122.0634 57.1553 41.9667 177.8548 106 H 3.8521 8.5273 117.1864 59.8319 30.0323 176.7485 107 A 3.9665 8.1470 121.7058 56.1914 18.1140 179.8557 108 S 4.1375 9.0854 113.0568 61.9401 62.9724 175.9209 109 L 3.9485 8.7106 122.1139 57.0110 41.0841 179.1105 110 L 3.8132 7.5986 120.6383 58.3470 42.4965 179.7294 111 G 3.9683 8.1019 105.3730 48.2228 0.0000 175.2825 112 L 3.9535 7.8672 121.9194 57.1828 42.3425 178.7627 113 S 4.2415 8.3914 115.9307 61.7846 62.4899 176.2613 114 Q 4.2016 8.7323 120.7704 59.2963 28.4087 179.2009 115 L 4.0169 7.7943 118.7022 56.6735 42.0737 177.7215 116 L 4.6859 8.0773 117.4969 55.5389 43.6113 176.7412 117 Q 4.1944 7.5320 118.0449 52.9737 30.2717 174.0907 118 P 4.4104 0.0000 0.0000 61.1797 30.3696 175.5039 119 E 3.8212 8.1232 122.4780 56.1709 30.0726 176.2253 120 G 3.5991 8.3287 116.9701 45.6275 0.0000 173.8456 121 H 3.4511 10.1825 114.0160 55.1538 27.8869 174.2425 122 H 3.8252 7.4677 117.6409 57.0290 28.2327 175.2525 123 W 4.8463 7.4427 115.3977 55.5862 29.8929 175.8561 124 E 3.7163 8.9036 126.6706 56.4381 27.8204 175.2355 125 T 3.6340 8.8597 110.7616 64.1951 67.0370 171.5259 126 Q 3.9040 8.2345 125.0525 56.7560 26.6674 177.1549 127 Q 3.9398 9.7343 119.7764 57.7251 28.2602 174.9661 128 I 3.5105 7.6595 115.3700 62.3378 35.5511 176.0099 129 P 4.1548 0.0000 0.0000 57.2348 34.4954 176.2587 130 S 4.0883 9.0226 115.3113 59.6637 61.9035 176.0058 131 L 4.5241 9.0613 124.5007 55.7318 45.6342 175.1503 132 S 3.4572 8.2172 113.5229 59.1510 61.1575 170.4834 133 P 4.4897 0.0000 0.0000 61.9063 32.2418 174.9061 134 S 3.9083 8.1699 114.6358 58.5147 62.3526 168.1413 135 Q 3.2865 8.2175 124.4862 55.6388 26.3955 172.5448 136 P 3.8854 0.0000 0.0000 65.6445 31.9386 178.7650 137 W 4.1941 7.1837 118.4035 59.8978 28.9147 178.3546 138 Q 4.0553 8.2349 117.3901 59.1649 28.1562 178.5161 139 R 3.7809 7.9041 119.1491 59.1592 30.2065 177.6744 140 L 3.8162 9.7789 119.4190 58.4050 42.0696 179.1001 141 L 4.0655 8.1432 118.5211 57.8710 41.5741 179.0273 142 L 3.9322 8.2145 120.3500 58.4908 41.8904 178.9526 143 R 3.0792 7.9800 118.1246 59.4717 29.8779 178.8815 144 F 4.0002 7.7871 116.0387 59.5624 38.8469 178.0596 145 K 4.0288 8.1551 119.9440 59.4636 31.9576 178.9346 146 I 3.8851 8.1874 120.4638 64.5538 37.0685 178.2225 147 L 3.9569 8.1680 119.9283 58.1728 41.4567 179.1401 148 R 4.1856 8.2694 120.0062 59.0508 29.9793 178.3502 149 S 4.3173 8.7346 114.8233 61.7359 63.0279 176.7763 150 L 3.1297 8.1734 122.9245 58.0799 41.7825 178.7132 151 Q 3.6985 7.8351 117.8007 59.2424 28.3070 179.6039 152 A 4.1209 7.3495 118.7332 55.6587 18.7293 178.5317 153 F 4.1073 8.5514 119.0166 60.6565 39.1932 177.3087 154 V 3.3837 8.4404 111.1473 64.6119 31.8231 178.4503 155 A 4.0354 7.9988 120.2080 55.3722 18.2211 179.9186 156 V 3.4528 7.9608 116.4727 65.8991 31.4941 177.7415 157 A 3.6564 7.7375 119.7816 55.2341 18.1360 178.9077 158 A 4.1515 8.4097 119.2212 55.7944 18.3426 180.1059 159 R 3.8678 7.8783 116.0977 59.5364 30.1518 178.9387 160 V 3.4854 8.2089 118.1397 66.3597 30.8518 177.7866 161 F 4.9115 8.2006 116.9052 61.0703 39.0242 177.4406 162 A 4.3219 8.7111 120.5546 55.6947 18.0321 179.3215 163 H 4.2987 8.5573 116.7191 59.2766 30.0582 177.5105 164 G 2.0000 7.9910 107.5159 47.2628 0.0000 175.0183 165 A 4.1151 8.4849 122.4296 54.7919 18.3200 178.8502 166 A 4.3013 7.1288 116.1410 53.7792 19.7426 178.6396 167 T 4.2745 7.6755 105.4475 61.6613 69.3311 174.9510 168 L 4.1578 7.8970 127.7331 55.3539 42.9371 175.7095 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 R 8.25 4.26 0.00 1.87 2.00 0.00 3.21 0.00 0.00 3.28 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.66 0.00 2 A 8.14 4.38 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 3 V 9.07 3.71 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 0.72 0.00 0.00 0.96 0.00 0.00 4 P 0.00 4.37 0.00 2.10 2.10 0.00 3.89 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 2.17 2.22 0.00 5 G 8.27 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 0.00 0.00 0.00 6 G 8.87 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 7 S 8.93 3.99 0.00 3.84 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 8 S 8.48 4.28 0.00 3.90 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 P 0.00 4.32 0.00 1.73 1.77 0.00 2.89 0.00 0.00 3.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.55 1.47 0.00 10 A 7.99 4.30 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 11 W 7.15 4.81 0.00 3.50 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 12 T 8.19 3.98 4.28 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 1.25 0.00 0.00 13 Q 7.96 3.98 0.00 2.11 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.92 0.00 0.00 0.00 0.00 0.00 2.42 2.35 0.00 14 C 9.10 3.67 0.00 2.89 1.43 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 0.00 15 Q 10.00 4.48 0.00 2.49 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.81 0.00 0.00 0.00 0.00 0.00 2.56 2.62 0.00 16 Q 8.22 4.05 0.00 2.33 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.58 0.00 0.00 0.00 0.00 0.00 2.57 2.33 0.00 17 L 7.84 3.97 0.00 1.71 1.64 0.86 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 18 S 9.03 4.23 0.00 4.07 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 0.00 19 Q 8.47 3.97 0.00 2.49 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.83 0.00 0.00 0.00 0.00 0.00 2.40 2.50 0.00 20 K 8.08 4.04 0.00 1.90 2.08 0.00 1.69 0.00 0.00 1.65 0.00 0.00 3.00 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.45 1.50 7.81 21 L 8.77 4.00 0.00 1.92 1.74 0.96 0.89 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 22 C 7.63 4.39 0.00 3.09 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 23 T 7.83 4.17 4.38 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 1.26 0.00 0.00 24 L 7.92 4.00 0.00 1.67 1.79 1.02 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 25 A 8.04 4.33 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 26 W 7.92 4.73 0.00 3.35 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 27 S 7.86 3.93 0.00 4.03 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 28 A 8.25 3.99 1.43 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 0.00 0.00 0.00 29 H 7.70 4.75 0.00 2.78 2.17 0.00 5.72 0.00 0.00 0.00 0.00 6.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 P 0.00 4.24 0.00 2.19 2.17 0.00 3.49 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.93 0.00 31 L 8.05 4.15 0.00 1.75 1.80 0.98 0.90 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 32 V 7.69 3.47 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 0.63 0.00 0.00 0.31 0.00 0.00 33 G 8.96 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 H 8.52 4.61 0.00 3.23 3.40 0.00 5.93 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 M 8.70 4.09 0.00 2.08 2.25 0.00 0.00 0.00 0.00 0.00 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.86 2.63 0.00 36 D 9.34 4.96 0.00 2.64 2.55 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 37 L 9.04 5.54 0.00 1.74 1.77 0.95 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 38 R 7.98 3.77 0.00 1.86 1.78 0.00 3.31 0.00 0.00 3.26 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.24 0.00 39 E 8.68 4.27 0.00 1.98 1.78 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 2.22 1.87 0.00 40 E 8.50 4.01 0.00 2.16 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 2.09 1.85 0.00 *48 D 8.06 4.40 0.00 2.72 2.57 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 0.00 0.00 0.00 0.00 49 V 6.75 3.35 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 0.58 0.00 0.00 0.37 0.00 0.00 50 P 0.00 4.33 0.00 1.76 1.85 0.00 2.85 0.00 0.00 2.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.68 0.00 51 H 8.10 5.01 0.00 3.14 3.19 0.00 5.69 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 I 8.67 4.14 1.94 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 1.77 0.79 0.95 0.00 0.00 53 Q 9.20 4.47 0.00 2.29 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.89 6.72 0.00 0.00 0.00 0.00 0.00 2.37 2.54 0.00 54 C 8.69 3.85 0.00 2.94 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 55 G 7.90 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 D 8.21 4.70 0.00 3.07 2.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 G 8.06 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 C 8.03 4.43 0.00 2.96 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 59 D 7.99 4.50 0.00 2.93 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 60 P 0.00 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0.00 0.00 0.00 0.00 7.17 6.93 0.00 0.00 0.00 0.00 0.00 2.61 2.52 0.00 69 F 8.22 3.89 0.00 3.12 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 70 C 8.41 4.40 0.00 3.31 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 71 L 8.64 3.95 0.00 1.93 1.76 0.87 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 72 Q 8.58 3.90 0.00 2.23 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.81 0.00 0.00 0.00 0.00 0.00 2.23 2.29 0.00 73 R 8.16 3.81 0.00 1.89 2.12 0.00 3.41 0.00 0.00 3.38 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.90 0.00 74 I 7.90 4.01 2.12 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 1.33 0.29 1.11 0.00 0.00 75 H 8.50 4.16 0.00 3.28 3.50 0.00 5.79 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 Q 8.15 4.04 0.00 2.17 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.56 0.00 0.00 0.00 0.00 0.00 2.32 2.38 0.00 77 G 8.62 3.20 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 78 L 8.69 4.12 0.00 1.84 1.80 1.06 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 79 I 8.01 3.56 2.02 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 1.09 0.91 0.85 0.00 0.00 80 F 8.23 3.60 0.00 3.01 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 81 Y 8.33 3.78 0.00 2.90 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 82 E 8.65 3.64 0.00 1.87 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 2.19 2.41 0.00 83 K 7.73 3.64 0.00 1.43 1.56 0.00 1.57 0.00 0.00 1.49 0.00 0.00 2.91 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.26 1.41 7.81 84 L 7.01 3.72 0.00 1.55 1.63 0.84 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 85 L 7.63 2.90 0.00 1.47 1.45 0.30 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 86 G 7.59 3.71 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 0.00 0.00 0.00 87 S 7.50 4.22 0.00 3.97 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 88 D 8.48 4.67 0.00 2.91 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 89 I 8.00 3.60 2.19 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.58 0.87 0.00 0.00 90 F 8.24 4.43 0.00 3.09 3.07 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 91 T 7.59 4.40 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 1.21 0.00 0.00 92 G 8.30 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 E 8.13 4.61 0.00 1.87 1.73 0.00 0.00 0.00 0.00 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0.00 0.00 0.00 0.00 2.18 2.21 0.00 102 V 7.55 3.79 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 1.19 0.00 0.00 1.03 0.00 0.00 103 G 8.17 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 Q 8.16 4.08 0.00 2.12 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.85 0.00 0.00 0.00 0.00 0.00 2.46 2.59 0.00 105 L 7.82 4.09 0.00 1.88 1.69 0.91 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 106 H 8.53 3.85 0.00 3.13 3.22 0.00 5.67 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 A 8.15 3.97 1.42 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 0.00 108 S 9.09 4.14 0.00 3.83 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 0.00 109 L 8.71 3.95 0.00 1.90 1.54 0.88 0.47 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 0.00 110 L 7.60 3.81 0.00 1.78 1.85 0.88 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 111 G 8.10 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 L 7.87 3.95 0.00 1.56 1.92 0.49 0.90 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 0.00 113 S 8.39 4.24 0.00 3.97 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 Q 8.73 4.20 0.00 2.25 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.83 0.00 0.00 0.00 0.00 0.00 2.49 2.50 0.00 115 L 7.79 4.02 0.00 1.73 1.64 0.82 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 116 L 8.08 4.69 0.00 1.84 1.71 1.10 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 117 Q 7.53 4.19 0.00 1.21 1.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.57 7.67 0.00 0.00 0.00 0.00 0.00 1.95 1.93 0.00 118 P 0.00 4.41 0.00 1.94 1.99 0.00 3.62 0.00 0.00 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 2.03 0.00 119 E 8.12 3.82 0.00 2.07 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 0.00 2.14 2.16 0.00 120 G 8.33 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 0.00 0.00 0.00 121 H 10.18 3.45 0.00 1.40 2.38 0.00 5.81 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 H 7.47 3.83 0.00 3.18 3.27 0.00 5.70 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 W 7.44 4.85 0.00 3.29 3.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 E 8.90 3.72 0.00 2.36 1.44 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 2.31 2.43 0.00 125 T 8.86 3.63 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 1.13 0.00 0.00 126 Q 8.23 3.90 0.00 2.46 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.20 0.00 0.00 0.00 0.00 0.00 2.56 2.56 0.00 127 Q 9.73 3.94 0.00 2.61 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.99 6.90 0.00 0.00 0.00 0.00 0.00 2.24 1.90 0.00 128 I 7.66 3.51 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 1.30 0.69 0.91 0.00 0.00 129 P 0.00 4.15 0.00 1.96 1.86 0.00 3.48 0.00 0.00 3.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.58 0.00 130 S 9.02 4.09 0.00 3.90 3.71 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 0.00 131 L 9.06 4.52 0.00 1.69 1.62 0.92 0.80 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 0.00 132 S 8.22 3.46 0.00 3.99 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 133 P 0.00 4.49 0.00 2.37 2.15 0.00 3.88 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.93 0.00 134 S 8.17 3.91 0.00 4.03 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 0.00 135 Q 8.22 3.29 0.00 2.55 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.77 6.42 0.00 0.00 0.00 0.00 0.00 2.37 2.43 0.00 136 P 0.00 3.89 0.00 1.40 2.08 0.00 3.50 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 0.77 1.64 0.00 137 W 7.18 4.19 0.00 3.52 3.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 138 Q 8.23 4.06 0.00 2.12 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.88 0.00 0.00 0.00 0.00 0.00 2.54 2.50 0.00 139 R 7.90 3.78 0.00 1.78 1.76 0.00 3.25 0.00 0.00 3.30 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.63 0.00 140 L 9.78 3.82 0.00 1.93 1.75 0.90 0.90 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 0.00 141 L 8.14 4.07 0.00 2.03 1.77 1.08 0.66 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 0.00 142 L 8.21 3.93 0.00 1.87 1.73 0.96 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 143 R 7.98 3.08 0.00 1.53 0.75 0.00 2.67 0.00 0.00 2.25 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 1.44 0.00 144 F 7.79 4.00 0.00 3.30 3.12 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 0.00 145 K 8.16 4.03 0.00 1.89 2.05 0.00 1.68 0.00 0.00 1.69 0.00 0.00 2.97 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.50 1.54 7.81 146 I 8.19 3.89 2.31 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.77 1.18 0.00 0.00 147 L 8.17 3.96 0.00 1.86 1.74 0.54 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 148 R 8.27 4.19 0.00 2.18 2.02 0.00 3.26 0.00 0.00 3.23 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.59 0.00 149 S 8.73 4.32 0.00 4.35 4.16 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 0.00 0.00 0.00 0.00 150 L 8.17 3.13 0.00 1.27 1.55 0.46 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 151 Q 7.84 3.70 0.00 1.66 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.60 0.00 0.00 0.00 0.00 0.00 1.16 1.97 0.00 152 A 7.35 4.12 1.43 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 0.00 0.00 0.00 153 F 8.55 4.11 0.00 3.30 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 0.00 154 V 8.44 3.38 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.73 0.00 0.00 1.00 0.00 0.00 155 A 8.00 4.04 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 0.00 156 V 7.96 3.45 1.93 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 0.95 0.00 0.00 0.96 0.00 0.00 157 A 7.74 3.66 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 158 A 8.41 4.15 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 0.00 0.00 0.00 0.00 0.00 0.00 159 R 7.88 3.87 0.00 1.99 1.96 0.00 3.14 0.00 0.00 3.08 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.89 0.00 160 V 8.21 3.49 1.68 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 0.75 0.00 0.00 0.87 0.00 0.00 161 F 8.20 4.91 0.00 3.27 3.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 162 A 8.71 4.32 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 163 H 8.56 4.30 0.00 3.22 3.44 0.00 5.80 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 164 G 7.99 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 165 A 8.48 4.12 1.54 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 0.00 0.00 0.00 0.00 0.00 0.00 166 A 7.13 4.30 1.31 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 0.00 0.00 0.00 167 T 7.68 4.27 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 0.90 0.00 0.00 168 L 7.90 4.16 0.00 1.41 1.48 0.04 0.57 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 * Residues marked with a * may have inaccurate shift predictions.