NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 S 4.3920 8.3193 117.1081 56.9933 63.9585 173.3014 4 P 4.1591 0.0000 0.0000 60.0135 31.5677 174.4395 5 S 4.8894 8.7916 116.5503 58.4638 66.4699 174.5788 6 K 3.7226 7.6213 118.0792 55.8284 35.6995 173.8552 7 A 5.2903 8.2109 121.7863 50.0828 22.5625 175.3588 8 V 4.6685 8.7085 120.2521 61.1528 34.7235 174.2838 9 I 4.8110 8.7979 129.6248 60.0661 38.4529 175.3319 10 V 4.0940 8.8293 128.6309 60.3180 33.0227 173.6704 11 P 4.4286 0.0000 0.0000 61.9949 32.7238 175.6953 12 G 4.2811 8.5361 108.4443 45.4521 0.0000 173.1245 13 N 5.0648 8.8619 117.6913 52.1327 38.0823 175.4107 14 G 4.4378 9.3710 118.2802 46.1433 0.0000 174.2561 15 G 4.0475 8.1661 108.0743 44.9219 0.0000 174.1516 16 G 3.6105 7.6621 107.6063 45.1694 0.0000 172.6458 17 D 4.4366 8.4593 121.1935 53.4886 41.6557 177.6607 18 V 3.8789 8.6044 126.8360 64.5503 31.2625 176.9117 19 T 4.3814 8.8154 109.4780 62.2510 69.2244 175.2048 20 T 4.5542 8.0700 111.2973 61.6263 69.7707 173.4448 21 H 4.8602 7.6653 116.4014 54.6600 32.0993 174.8329 22 G 3.2766 8.1829 108.4120 45.3623 0.0000 174.1013 23 W 5.1852 6.7771 118.3458 55.9398 28.6472 177.1033 24 Y 4.5552 6.7884 119.0409 61.6604 37.3659 178.6382 25 G 3.7480 8.2596 105.8663 47.5976 0.0000 175.3277 26 W 4.1661 8.4079 130.6707 60.2408 30.7984 178.0437 27 V 3.7073 8.6597 118.3696 65.7873 30.9824 177.8389 28 K 3.9450 8.4158 119.4257 59.4351 31.8835 178.5370 29 K 3.9660 7.8400 118.3482 59.6519 32.3580 178.2392 30 E 3.8224 7.9597 118.7850 59.3834 29.3408 179.4205 31 L 4.0963 8.1420 119.1772 57.6926 41.4758 179.0917 32 E 4.2212 8.0375 117.0950 58.2803 29.4627 178.7593 33 K 4.2578 7.6890 117.9688 57.2484 32.4636 177.1225 34 I 3.8701 7.4200 122.1979 59.8071 37.2796 173.7310 35 P 4.4262 0.0000 0.0000 64.2739 31.2694 176.8364 36 G 3.9191 8.9520 109.9575 45.4269 0.0000 172.4476 37 F 4.9662 7.9658 121.6056 56.4850 41.3602 174.5355 38 Q 4.5655 7.1078 124.4439 54.3537 33.0424 173.5502 39 C 4.9764 8.2491 122.3906 57.8166 34.4121 172.9216 40 L 4.6104 8.8703 126.8066 53.7150 43.5398 176.3696 41 A 4.6304 8.2842 124.6844 51.4570 20.5250 175.5279 42 K 4.6255 8.2735 119.6656 55.0016 35.9657 177.8952 43 N 4.3872 8.2793 117.9418 52.4035 39.2777 172.6440 *45 P 3.8763 0.0000 0.0000 63.9235 32.8610 175.1623 46 D 4.3836 8.5814 116.5995 54.7528 39.5701 173.2716 47 P 4.6835 0.0000 0.0000 65.8468 32.0649 179.0105 48 I 3.8489 7.7526 119.5393 64.3363 37.4308 177.3530 49 T 4.0055 7.8521 108.7755 62.3914 69.2107 174.0956 50 A 2.5800 7.7423 123.6692 51.7403 16.6202 178.1695 51 R 3.7188 7.7794 118.9620 57.4071 31.6769 176.4659 52 E 3.7493 8.2542 125.2130 59.5437 29.3930 179.4064 53 S 4.2694 7.8940 111.4201 60.4330 63.1723 175.2015 54 I 4.3273 7.3894 122.6650 62.9599 38.0044 177.6663 55 W 4.2790 8.6235 118.9672 59.8022 29.0110 178.2616 56 L 4.4658 8.1051 117.7087 57.6197 41.4382 177.5828 57 P 4.5782 0.0000 0.0000 65.2464 31.2145 179.1787 58 F 4.2331 8.0614 118.3845 58.4039 38.8451 176.4115 *60 E 4.3804 8.2873 120.1948 56.1692 31.1747 177.8204 61 T 3.9213 8.4715 114.0056 66.2391 68.7812 175.8232 62 E 3.8700 7.6848 119.0115 57.4679 29.8995 177.1884 63 L 4.1417 7.2087 115.3722 53.9985 42.4695 175.6194 64 H 4.2120 7.4984 114.0545 55.4741 26.2985 175.1825 65 C 4.3125 7.9716 116.4381 59.7666 28.4642 172.7470 66 D 5.0247 8.9813 127.0828 51.8781 41.5361 175.7273 67 E 4.4197 8.9386 115.2425 58.1926 29.7311 177.2348 68 K 4.6584 9.0258 119.6155 56.3944 32.9181 174.8587 69 T 5.0956 8.1115 116.2210 61.9419 71.4186 173.5493 70 I 4.8353 8.6450 126.5405 60.0138 39.3247 174.6671 71 I 4.6201 8.8506 129.5800 60.1539 39.0227 175.1009 72 I 4.8598 9.1807 129.3015 59.8943 38.8164 174.7178 73 G 4.5008 9.0966 115.4305 44.5163 0.0000 170.5486 74 H 5.6269 9.4144 125.2755 55.3321 32.3822 175.0457 75 S 4.4017 9.7705 121.9702 58.4981 62.8977 174.4051 76 S 4.3517 9.6002 115.8252 61.6814 62.5834 175.3824 77 G 3.8290 8.7615 108.3169 47.4602 0.0000 175.7610 78 A 4.1247 7.9357 122.6331 55.0825 18.5213 179.4238 79 I 3.6772 7.5615 116.6692 64.4102 37.4029 177.9901 80 A 4.0363 8.0326 121.6807 54.8691 18.1970 180.0478 81 A 4.2885 8.0085 116.3933 53.0874 18.2497 179.5057 *83 R 4.3445 7.9805 122.0743 58.0082 32.0219 177.5124 84 Y 4.1180 8.6597 118.5300 60.6828 38.5713 177.7706 85 A 4.5166 8.1036 120.7148 53.5998 18.5389 178.8348 86 E 4.2166 8.0749 117.2187 58.2243 29.5716 177.6259 87 T 4.5474 7.4120 105.7731 61.0159 69.6101 173.1771 88 H 4.7274 7.5594 117.8912 54.5681 32.7089 172.5218 89 R 4.4649 8.5659 122.6680 55.5323 30.5405 175.8505 90 V 4.9078 8.5141 122.2977 60.0415 33.1933 176.1571 91 Y 4.1502 8.8315 124.0467 60.5807 39.6070 175.3588 92 A 4.9656 7.8540 117.8187 51.3407 23.0313 174.8449 93 I 5.0870 8.7113 119.3960 59.6087 41.7823 174.8085 94 V 4.7439 9.2648 126.8958 61.3199 33.6666 174.0812 95 L 5.0631 9.0960 129.4649 53.3669 43.6636 175.8230 96 V 4.5340 8.9498 124.6137 61.2613 33.6762 175.3013 97 S 3.8616 8.8684 125.8816 59.5288 60.0991 171.1270 98 A 4.6766 7.6735 122.9393 51.6299 20.6230 176.0579 99 Y 4.8548 7.5237 116.3708 56.7776 40.4342 173.9882 100 T 4.7632 9.1652 107.9078 61.3982 70.5722 173.3873 101 S 4.8583 8.3081 114.8625 55.8645 66.0341 173.2868 102 D 3.6509 8.0917 117.0264 53.1857 39.1602 176.8627 103 L 3.5237 8.3174 117.8599 55.5616 39.7792 174.9509 104 G 3.8509 9.0015 104.8166 46.5621 0.0000 173.6667 105 D 4.8200 7.9728 119.5800 52.3048 43.2375 177.0079 106 E 3.9644 8.6969 126.3581 59.5276 29.3589 178.9769 107 N 4.3112 8.5231 116.7273 56.5745 39.1805 176.5392 108 E 4.3797 8.5463 122.0962 60.2186 29.6472 180.0436 109 R 4.1440 8.3717 120.5884 61.3783 29.2662 180.5535 110 A 4.2760 8.0821 120.6600 54.7134 18.5870 179.5522 111 S 4.0113 7.8892 113.3768 59.4925 61.5284 176.3283 112 G 3.7216 8.0642 109.6814 45.4843 0.0000 174.5830 113 Y 4.4742 6.8496 115.9725 59.2045 37.8500 176.5655 114 F 4.7574 6.9824 117.7248 57.2994 39.4566 176.5177 115 T 4.1194 7.8212 111.4536 63.1436 69.0548 173.6725 116 R 4.5080 7.0686 116.9421 54.0850 32.3331 172.5476 117 P 4.3034 0.0000 0.0000 62.2882 31.7657 176.3770 118 W 3.8797 8.1741 120.9628 56.3775 30.0723 177.8547 119 Q 4.2946 8.6179 124.5736 53.9195 27.0989 176.1508 120 W 4.6487 7.8962 122.2794 60.1792 29.6426 177.7722 121 E 4.0944 8.3877 117.7088 59.4349 28.8961 179.4749 122 K 4.0622 8.0641 118.0986 59.2813 32.2987 179.3099 123 I 3.9298 7.8386 120.1327 64.5424 36.8799 178.6693 124 K 4.0121 8.0260 117.6750 59.3788 31.9096 179.0476 125 A 4.1166 7.9375 120.2779 54.4751 18.5744 178.5219 126 N 4.8984 8.3060 113.6463 53.2696 39.2000 174.4668 127 C 4.9936 7.6371 119.2752 56.3523 32.6432 171.2290 128 P 3.9813 0.0000 0.0000 64.4504 31.3065 176.3206 129 Y 4.7955 7.0724 115.1907 56.2159 40.4981 175.3359 130 I 5.0144 8.4175 125.2426 59.5629 40.5994 174.7256 131 V 4.7926 8.7002 127.3388 61.0623 34.5433 174.1676 132 Q 5.0222 8.7889 126.6375 54.3721 32.7989 173.4670 133 F 5.0594 9.5391 124.6245 55.6871 41.8882 174.7258 134 G 4.9526 9.0887 109.2552 45.2387 0.0000 171.5306 135 S 5.5961 9.2099 116.5320 56.3148 65.3821 175.0136 136 T 3.8442 8.8180 116.9218 63.5431 69.0536 175.1819 137 D 4.8592 7.7947 121.5174 52.8244 39.5882 175.1141 138 D 4.5049 7.9573 120.6651 54.4340 41.2429 175.3120 139 P 4.2341 0.0000 0.0000 64.1682 31.7174 176.6784 140 F 4.9030 8.3180 116.7189 57.1531 40.6327 175.4931 141 L 4.7748 7.8508 119.5106 51.9038 44.4273 174.2579 142 P 4.5123 0.0000 0.0000 61.7864 32.1465 177.2969 143 W 4.2898 9.1060 132.6617 60.5011 30.5111 177.6855 144 K 3.7156 8.2653 119.1345 59.7942 31.5639 178.3097 145 E 4.0122 8.1915 118.5651 59.1262 29.5217 179.2788 146 Q 3.9059 7.4369 117.8508 58.8594 28.7350 178.2966 147 Q 3.6235 7.2130 120.6350 58.5977 28.8632 177.8165 148 E 3.6862 7.6880 120.6924 59.0648 29.6612 178.9469 149 V 2.9406 7.3715 117.7696 65.6694 31.6524 177.7709 150 A 4.1256 7.4150 121.3869 54.6118 17.7057 179.4535 151 D 4.1057 7.9332 117.2609 57.6950 40.7614 179.3657 152 R 3.5386 7.4635 117.1490 57.9300 29.8219 178.0527 153 L 4.4073 7.3113 115.8442 53.0484 42.9863 175.8816 154 E 3.7470 7.4476 117.5660 57.4328 27.8245 174.8322 155 T 4.2801 7.4617 107.6729 61.5970 71.1753 175.3786 156 K 4.3214 8.6664 122.9424 55.3657 32.2926 175.3002 157 L 4.4458 8.1945 127.2681 54.7702 43.3182 175.8060 158 H 4.4463 9.2207 124.2417 53.9150 30.1073 172.5311 159 K 4.7788 8.3613 124.8122 55.2311 33.0711 175.5625 160 F 5.5544 9.2970 126.6217 56.3084 42.1114 176.2234 161 T 4.6534 8.9283 106.8223 60.4713 69.9694 174.1984 162 D 5.2500 7.8013 119.3444 52.3544 40.3051 175.5252 163 C 4.1860 8.3966 116.1704 59.1221 29.5245 175.1062 164 G 3.5489 7.9712 110.1274 47.5145 0.0000 173.8515 165 H 5.1638 8.9133 122.5010 54.7245 30.2129 174.9647 166 F 3.6762 7.7281 114.2031 58.7068 36.0962 175.3863 167 Q 4.6440 7.7874 113.4493 55.7097 29.8033 176.2835 168 N 4.7238 8.0407 116.8308 52.9324 39.9033 174.6983 169 T 4.6710 8.0822 106.3870 61.6418 69.7538 174.1255 170 E 4.1796 7.4710 120.1250 54.7409 33.5504 175.8878 171 F 4.9868 7.0858 120.2321 56.4297 40.6741 173.8183 172 H 4.4746 8.4179 125.0792 59.5477 30.2770 175.8256 173 E 4.0603 8.4906 119.6691 59.4002 29.3011 179.0453 174 L 3.3529 6.8406 120.0060 57.7512 41.7941 179.0365 175 I 3.6386 7.3930 119.3030 64.6619 37.1101 178.3131 176 T 3.8100 7.7160 116.5070 66.4691 68.2508 176.8476 177 V 3.5403 7.6662 119.9084 66.0124 31.6205 178.2309 178 V 3.5628 7.7541 117.8991 66.0654 31.1441 178.1740 179 K 3.8634 8.0883 117.3625 59.3975 31.8609 179.2706 180 S 4.2190 7.7895 114.9552 61.4546 62.8113 176.3859 181 L 4.0103 7.8024 120.7682 57.1848 41.4041 177.6865 182 L 4.1393 7.5141 122.9705 54.8791 41.6962 176.6130 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 3 S 8.32 4.39 0.00 3.65 3.74 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 4 P 0.00 4.16 0.00 2.06 0.93 0.00 3.35 0.00 0.00 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.34 0.00 5 S 8.79 4.89 0.00 3.83 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 6 K 7.62 3.72 0.00 1.56 1.61 0.00 1.31 0.00 0.00 1.70 0.00 0.00 2.80 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.28 1.31 7.81 7 A 8.21 5.29 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.71 4.67 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 0.76 0.00 0.00 0.88 0.00 0.00 9 I 8.80 4.81 1.82 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.81 0.74 0.00 0.00 10 V 8.83 4.09 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 0.82 0.00 0.00 11 P 0.00 4.43 0.00 1.92 1.04 0.00 3.38 0.00 0.00 3.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.64 0.00 12 G 8.54 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 0.00 0.00 0.00 0.00 13 N 8.86 5.06 0.00 3.02 2.79 0.00 0.00 5.91 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 G 9.37 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 0.00 0.00 0.00 0.00 15 G 8.17 4.05 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 16 G 7.66 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 17 D 8.46 4.44 0.00 2.69 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 18 V 8.60 3.88 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 0.86 0.00 0.00 0.79 0.00 0.00 19 T 8.82 4.38 4.29 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 0.00 0.00 0.00 1.25 0.00 0.00 20 T 8.07 4.55 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 1.24 0.00 0.00 21 H 7.67 4.86 0.00 3.19 3.23 0.00 5.67 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 G 8.18 3.28 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 0.00 23 W 6.78 5.19 0.00 3.74 3.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 Y 6.79 4.56 0.00 3.15 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 25 G 8.26 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 0.00 0.00 0.00 26 W 8.41 4.17 0.00 3.57 3.44 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 0.00 27 V 8.66 3.71 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 1.20 0.00 0.00 1.43 0.00 0.00 28 K 8.42 3.95 0.00 2.10 2.05 0.00 1.73 0.00 0.00 1.60 0.00 0.00 3.05 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.45 1.61 7.81 29 K 7.84 3.97 0.00 1.76 1.84 0.00 1.81 0.00 0.00 1.69 0.00 0.00 3.03 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.28 1.42 7.81 30 E 7.96 3.82 0.00 1.67 1.63 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 1.47 1.47 0.00 31 L 8.14 4.10 0.00 1.79 2.04 1.09 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 32 E 8.04 4.22 0.00 2.08 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 2.46 2.63 0.00 33 K 7.69 4.26 0.00 1.85 1.83 0.00 1.59 0.00 0.00 1.64 0.00 0.00 2.95 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.42 1.62 7.81 34 I 7.42 3.87 2.04 0.00 0.00 0.58 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 0.69 0.76 0.00 0.00 35 P 0.00 4.43 0.00 2.17 2.08 0.00 3.80 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 1.98 1.96 0.00 36 G 8.95 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 37 F 7.97 4.97 0.00 2.93 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 38 Q 7.11 4.57 0.00 1.80 1.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.53 0.00 0.00 0.00 0.00 0.00 2.14 2.31 0.00 39 C 8.25 4.98 0.00 2.95 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 40 L 8.87 4.61 0.00 1.53 1.47 0.88 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 41 A 8.28 4.63 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 42 K 8.27 4.63 0.00 1.80 1.75 0.00 1.70 0.00 0.00 1.73 0.00 0.00 2.72 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.32 1.39 7.81 43 N 8.28 4.39 0.00 2.66 2.74 0.00 0.00 6.93 8.02 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 *45 P 0.00 3.88 0.00 2.12 1.81 0.00 2.61 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 1.65 1.40 0.00 46 D 8.58 4.38 0.00 2.92 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 47 P 0.00 4.68 0.00 2.42 2.36 0.00 3.78 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.01 0.00 48 I 7.75 3.85 1.87 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 1.49 0.82 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0.00 1.81 1.94 0.00 3.27 0.00 0.00 3.17 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.52 0.00 110 A 8.08 4.28 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 0.00 111 S 7.89 4.01 0.00 3.81 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 0.00 112 G 8.06 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 0.00 0.00 0.00 113 Y 6.85 4.47 0.00 1.49 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 0.00 0.00 0.00 0.00 114 F 6.98 4.76 0.00 3.15 3.08 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 0.00 115 T 7.82 4.12 4.17 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 1.17 0.00 0.00 116 R 7.07 4.51 0.00 1.77 1.80 0.00 3.02 0.00 0.00 2.92 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 1.43 0.00 117 P 0.00 4.30 0.00 1.99 2.01 0.00 3.58 0.00 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 126 N 8.31 4.90 0.00 2.93 3.07 0.00 0.00 6.27 7.44 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 0.00 127 C 7.64 4.99 0.00 2.94 2.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 P 0.00 3.98 0.00 0.84 1.47 0.00 3.52 0.00 0.00 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.86 0.00 129 Y 7.07 4.80 0.00 2.81 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 0.00 130 I 8.42 5.01 1.87 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 1.26 0.99 0.92 0.00 0.00 131 V 8.70 4.79 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 0.72 0.00 0.00 0.92 0.00 0.00 132 Q 8.79 5.02 0.00 2.04 1.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.54 0.00 0.00 0.00 0.00 0.00 2.22 2.30 0.00 133 F 9.54 5.06 0.00 2.64 2.32 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 0.00 134 G 9.09 4.95 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 0.00 0.00 0.00 135 S 9.21 5.60 0.00 3.82 3.85 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 0.00 136 T 8.82 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 0.02 0.00 0.00 137 D 7.79 4.86 0.00 2.76 2.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 138 D 7.96 4.50 0.00 3.07 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 0.00 139 P 0.00 4.23 0.00 1.54 1.81 0.00 3.53 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 0.49 1.39 0.00 140 F 8.32 4.90 0.00 2.87 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 0.00 141 L 7.85 4.77 0.00 1.72 1.59 1.32 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 142 P 0.00 4.51 0.00 2.21 2.01 0.00 3.61 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.08 0.00 143 W 9.11 4.29 0.00 3.49 3.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 144 K 8.27 3.72 0.00 1.90 1.82 0.00 1.79 0.00 0.00 1.84 0.00 0.00 2.97 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.49 1.54 7.81 145 E 8.19 4.01 0.00 2.24 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 2.37 2.37 0.00 146 Q 7.44 3.91 0.00 0.93 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.91 0.00 0.00 0.00 0.00 0.00 2.71 2.35 0.00 147 Q 7.21 3.62 0.00 1.54 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.81 0.00 0.00 0.00 0.00 0.00 2.37 2.31 0.00 148 E 7.69 3.69 0.00 2.19 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 2.22 2.44 0.00 149 V 7.37 2.94 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 0.78 0.00 0.00 0.76 0.00 0.00 150 A 7.42 4.13 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 151 D 7.93 4.11 0.00 2.61 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 0.00 152 R 7.46 3.54 0.00 0.67 0.66 0.00 3.01 0.00 0.00 2.83 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.93 0.00 153 L 7.31 4.41 0.00 1.59 1.63 0.98 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 154 E 7.45 3.75 0.00 2.03 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 0.00 2.19 2.14 0.00 155 T 7.46 4.28 4.17 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 1.16 0.00 0.00 156 K 8.67 4.32 0.00 1.70 1.77 0.00 1.68 0.00 0.00 1.57 0.00 0.00 2.74 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.41 1.52 7.81 157 L 8.19 4.45 0.00 1.58 1.53 1.00 1.16 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 0.00 158 H 9.22 4.45 0.00 2.15 2.61 0.00 5.85 0.00 0.00 0.00 0.00 6.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 159 K 8.36 4.78 0.00 1.88 1.75 0.00 1.92 0.00 0.00 1.69 0.00 0.00 2.49 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.20 1.25 7.81 160 F 9.30 5.55 0.00 3.09 2.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 161 T 8.93 4.65 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 1.15 0.00 0.00 162 D 7.80 5.25 0.00 2.61 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 0.00 163 C 8.40 4.19 0.00 2.36 1.76 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 0.00 164 G 7.97 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 0.00 165 H 8.91 5.16 0.00 3.29 3.62 0.00 5.90 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 0.00 166 F 7.73 3.68 0.00 3.46 3.13 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 0.00 0.00 0.00 0.00 167 Q 7.79 4.64 0.00 2.08 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.76 7.01 0.00 0.00 0.00 0.00 0.00 2.45 2.61 0.00 168 N 8.04 4.72 0.00 2.62 2.69 0.00 0.00 7.04 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 0.00 169 T 8.08 4.67 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 1.20 0.00 0.00 170 E 7.47 4.18 0.00 1.29 1.12 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 1.47 1.77 0.00 171 F 7.09 4.99 0.00 2.60 2.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 172 H 8.42 4.47 0.00 3.46 3.41 0.00 5.93 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 0.00 173 E 8.49 4.06 0.00 2.46 2.43 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 2.78 2.65 0.00 174 L 6.84 3.35 0.00 0.27 0.67 0.50 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 175 I 7.39 3.64 1.98 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 1.99 0.83 0.85 0.00 0.00 176 T 7.72 3.81 4.39 0.00 0.00 0.00 0.00 0.00 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 0.00 177 V 7.67 3.54 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 0.97 0.00 0.00 0.92 0.00 0.00 178 V 7.75 3.56 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 0.92 0.00 0.00 0.99 0.00 0.00 179 K 8.09 3.86 0.00 1.84 1.77 0.00 1.70 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.32 1.49 7.81 180 S 7.79 4.22 0.00 3.98 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 0.00 181 L 7.80 4.01 0.00 1.79 1.82 0.98 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 182 L 7.51 4.14 0.00 1.62 1.38 0.22 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.