NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 L 4.1870 8.1693 122.4922 53.5506 42.6150 176.3260 4 E 4.4464 8.9487 114.7180 55.8089 25.9479 174.4287 5 R 4.3452 7.9942 120.3457 54.9938 32.8337 177.4622 6 L 4.2190 8.9424 125.3110 55.3253 43.5727 175.9790 7 R 4.8278 9.4357 126.5075 55.4485 31.4718 175.4125 8 V 4.4477 8.9599 125.1927 60.8992 33.9809 174.6564 9 A 5.3564 8.5107 128.1023 50.1686 22.8509 174.3674 10 A 5.0175 8.5965 119.1822 50.3341 22.4176 174.5390 11 Y 5.0327 9.1820 123.2593 56.0801 40.6563 174.7153 12 C 4.8599 8.1650 124.2176 57.8056 31.9352 172.7350 13 R 4.8447 8.5372 122.9338 54.8853 31.3361 175.2037 14 V 4.4847 8.7720 127.2953 61.4282 33.2827 175.0892 15 S 4.6358 8.9188 123.2762 58.1112 63.6763 173.7015 16 T 4.5076 8.4300 119.7611 60.7750 67.2777 173.8775 17 D 4.9624 7.8210 125.7206 53.6269 41.9361 175.2678 18 S 4.4627 8.7899 120.8755 59.3582 59.4591 172.1392 19 E 4.3591 7.9764 116.1432 56.7560 29.4708 176.8660 20 D 4.8908 7.4600 118.6913 52.5300 41.2051 176.0940 21 Q 4.0592 7.9030 121.6646 58.3211 29.6606 178.8707 22 L 3.9268 7.9668 118.9510 57.5094 42.3894 176.9962 23 N 4.8410 8.0011 114.0242 52.8459 39.0746 175.0229 24 S 4.5743 7.6761 114.8865 58.1221 64.9929 174.3549 25 Y 4.0886 8.6354 123.8702 61.0779 38.5540 178.6991 26 K 3.7982 8.1765 118.5703 59.6660 32.1831 179.2601 27 S 4.1144 7.9545 115.0844 61.8274 62.7571 176.9485 28 Q 4.0050 8.0161 120.5077 58.7413 28.4582 178.6706 29 V 3.5217 7.9326 119.7368 66.2712 31.4899 178.1882 30 Q 3.9581 8.1738 117.6398 58.9141 28.2982 177.8710 31 Y 3.9225 7.8945 119.6397 61.1921 38.9066 177.7737 32 Y 4.0092 7.8072 116.0376 61.0387 38.3484 178.3516 33 T 4.0943 7.9780 116.8696 66.5348 68.2440 176.8437 34 D 4.3705 7.7576 116.9733 55.0842 40.8726 177.6689 *36 I 4.5166 7.7528 120.8558 60.9619 39.0610 178.0409 37 K 4.1568 7.8838 118.0478 58.6021 31.9840 178.3987 38 K 3.8432 7.5658 117.8403 58.1484 32.2674 176.1981 39 N 4.4918 7.6557 117.9739 51.1494 39.5586 174.8991 40 K 4.2248 8.3512 124.8377 58.3691 33.3125 177.5808 41 E 4.2211 8.6936 119.8244 57.4515 29.8006 175.9601 42 W 5.6861 7.8090 118.8163 54.8810 32.1738 175.7421 43 V 4.5856 8.9185 121.3517 59.6091 34.3226 174.5103 44 L 4.3580 8.7528 126.5305 55.5736 41.9504 175.9568 45 A 4.2532 9.3555 130.5992 53.0442 18.5121 176.6838 46 D 4.3279 7.5115 110.5647 53.6949 45.1352 173.6295 47 I 4.8996 8.0787 121.8307 59.6129 39.3531 174.8825 48 Y 5.0582 8.9710 124.4356 56.3496 41.0359 174.8757 49 A 4.9096 9.3630 124.1409 51.0581 22.8537 175.3629 50 D 5.0766 8.6699 122.1112 52.0757 44.7406 175.2535 51 E 4.5267 8.9343 122.8069 56.6567 30.5827 173.4478 52 A 4.1927 9.0764 135.0000 53.4805 22.7769 178.0533 *59 T 2.4800 8.5551 120.5939 60.6456 69.3095 173.2689 60 K 4.1843 8.1446 120.3375 56.4155 31.8943 174.4350 61 R 4.5355 7.7658 114.5632 55.2076 28.5924 176.5167 62 E 4.0113 9.3354 114.2065 59.3835 29.0242 177.8366 63 D 4.5183 8.7444 117.1576 56.9246 41.3572 177.5299 64 F 3.8433 8.5525 120.7889 61.4684 39.5701 176.9110 65 Q 4.0503 8.3161 117.4825 58.5784 28.3730 179.2150 66 R 4.1410 7.8647 117.4644 56.8518 29.8337 178.2293 *68 I 3.7609 7.7200 119.0700 60.8232 39.0289 177.8280 69 N 4.4073 8.0285 116.2084 56.3885 38.7136 176.3954 70 D 4.4947 8.3079 118.2053 57.5571 41.2552 179.0263 71 C 4.3301 7.4862 113.6998 60.2814 27.1113 174.8228 *73 N 4.5561 8.2303 115.7450 52.4451 39.7923 175.2952 74 G 3.8886 8.0933 106.2231 45.9973 0.0000 174.5531 75 E 4.2894 8.1768 118.7917 57.1464 29.9636 176.7384 76 I 4.6397 7.3414 118.7791 59.6507 40.8179 174.7979 77 D 4.5835 9.2137 125.3109 54.5310 42.5339 175.9219 *79 V 4.1338 7.5302 119.2431 62.6747 33.0328 174.2897 80 F 5.0033 9.0246 127.3403 57.6266 40.4295 174.6616 81 T 5.1607 8.9935 116.0430 60.7419 70.8643 174.3962 82 K 4.4054 9.2698 128.6083 59.5496 33.5713 176.6619 83 S 5.4102 8.0493 111.1454 56.5193 65.7023 174.9949 84 I 3.5091 8.9057 123.4803 64.7115 36.4955 179.0006 85 S 4.2190 8.0679 113.2877 61.1270 62.8577 175.9268 86 R 4.3744 7.7709 120.5427 57.9865 30.2472 178.1989 87 F 4.6412 8.1167 119.6886 60.1296 39.7151 174.4697 88 A 4.3302 7.2509 117.3347 50.8486 22.2882 175.8852 89 R 4.2000 8.2851 117.8363 58.1368 30.8698 176.7568 90 N 4.9268 7.5383 114.0639 50.7692 41.4100 175.3228 91 T 3.8531 8.3709 116.3703 66.8472 68.5095 176.7465 92 L 3.9708 7.8810 120.2944 58.0555 41.6087 179.2851 93 D 4.2575 9.1137 119.0653 57.3476 40.6819 178.8146 94 T 4.2063 8.0403 116.3697 66.7570 68.4322 176.2825 95 L 3.9983 8.0586 120.7122 57.8121 41.4903 179.2516 96 K 3.7192 7.7155 117.7317 60.1552 32.1401 178.0677 97 Y 4.5080 7.8914 115.4761 60.7804 38.0730 178.0605 98 V 3.9521 8.4654 119.5267 66.0010 31.6506 179.6068 99 R 4.1650 8.1328 115.9997 56.5068 29.8357 178.7199 *101 L 4.2229 7.8777 120.1462 54.8003 43.7801 179.1957 102 K 3.9088 8.3651 119.3849 59.6696 31.7931 178.5950 103 E 4.0376 8.3207 117.6498 58.4483 29.3093 178.4632 104 R 4.4564 7.5618 116.1320 54.8873 30.6401 175.5764 105 N 4.1807 8.0888 114.7310 54.4806 36.5551 174.0578 106 I 4.4224 7.7780 117.9317 59.5286 38.9121 175.3009 107 A 4.4338 8.1689 127.7396 50.9541 20.2103 176.3855 108 V 4.0661 8.4118 121.1001 61.0944 34.1121 173.9912 109 Y 4.5380 8.4540 129.1532 55.7238 40.8008 174.7175 110 F 4.8616 8.1733 127.6828 56.8473 39.2558 176.9527 111 E 4.4249 9.5069 125.2243 59.8023 29.7139 178.8533 112 D 4.5869 8.6794 117.8144 57.5397 40.9828 177.9404 113 E 4.0052 8.2679 117.5707 56.9815 30.3027 176.4516 114 K 4.2336 7.6486 116.4726 56.8393 29.8188 175.9186 115 I 4.3936 6.6326 118.3165 59.3624 40.9570 174.5774 116 N 5.0406 8.5395 124.0748 52.1262 39.8532 175.5222 117 T 4.1138 8.5041 115.8806 63.4533 69.0971 175.5911 118 L 4.5446 8.4252 121.9715 55.4381 43.8240 176.6116 119 T 4.4577 7.5538 113.8286 61.7953 67.2571 176.6575 *121 D 4.5600 9.1833 120.7685 54.1369 43.1544 177.4836 122 G 3.8221 7.9240 106.9937 47.3313 0.0000 175.5979 123 E 3.9941 8.3265 121.1579 59.0642 29.4644 179.2491 124 L 3.9677 7.8752 119.9158 57.7646 42.1444 178.3299 125 L 3.9094 8.1548 120.6867 58.4597 41.9507 179.1965 126 L 4.0579 7.8608 118.4229 57.5201 41.6247 179.6465 127 V 3.5530 7.8232 118.3505 65.9905 31.4168 178.3288 128 V 3.5700 7.8971 117.8958 66.0685 31.3528 177.9187 129 L 3.9610 8.2984 119.1473 57.9581 41.3989 179.7495 130 S 4.1359 8.3000 115.1801 61.6760 62.8681 176.9991 131 S 4.1130 8.0078 117.5479 61.3593 62.5655 176.7496 132 V 3.5487 8.0435 120.9775 66.1183 31.2890 177.9699 133 A 4.1302 8.3282 120.7959 55.0917 18.1715 179.3727 134 Q 3.8736 8.0949 118.1630 59.3938 29.1296 178.3304 135 Q 3.9597 7.9497 120.1235 59.2163 29.1048 177.9995 136 E 3.9686 8.3438 119.7176 59.3197 29.4940 179.5519 137 V 3.5700 7.9354 118.2572 66.1361 31.5609 177.9830 138 E 3.9928 8.2963 118.3141 59.3914 29.2069 179.0762 139 N 4.3184 8.6060 117.0152 56.3293 38.5350 177.4606 140 I 3.6752 7.7755 121.1199 64.4080 37.2323 178.3790 141 S 4.0399 8.1845 113.6658 61.3762 62.1394 176.0276 142 A 4.0058 8.2792 123.6941 55.3644 18.0829 179.4279 143 N 4.2813 8.3960 115.0853 56.1669 38.5840 177.9084 144 V 3.5635 8.0239 119.9040 65.9651 31.4155 178.2620 145 K 3.9787 8.0409 118.1565 59.3734 31.6731 179.4201 146 K 4.0602 8.1379 117.8994 59.4697 32.0782 179.0922 147 G 3.8534 8.2179 104.9916 47.9746 0.0000 175.1701 148 L 4.1985 7.7683 120.2215 57.2130 41.9844 180.3465 149 K 4.2400 7.5122 118.4583 57.8670 32.3878 177.2419 *151 K 4.1317 8.1737 118.9875 56.3668 32.8806 177.5023 *153 K 4.4035 8.5381 125.6173 57.7732 33.7987 176.3657 154 R 4.6027 8.5054 115.6869 56.0832 30.7751 176.1212 155 G 3.9819 8.2669 105.3129 45.7295 0.0000 175.2308 156 E 4.1046 8.6051 120.1339 58.8694 29.6104 178.3085 157 L 4.4465 7.8264 115.2157 55.0448 43.8129 177.0963 158 V 4.1866 7.2876 117.8441 60.4949 33.7345 175.3878 159 G 4.0224 8.4121 116.0282 45.2429 0.0000 173.2753 160 F 4.4417 8.4281 116.7122 57.5142 39.1879 176.2865 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 L 8.17 4.19 0.00 1.61 0.76 0.99 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 4 E 8.95 4.45 0.00 2.29 2.20 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 2.11 2.42 0.00 5 R 7.99 4.35 0.00 1.77 2.08 0.00 3.44 0.00 0.00 3.19 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.67 0.00 6 L 8.94 4.22 0.00 1.87 1.67 0.87 0.68 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 7 R 9.44 4.83 0.00 1.84 1.95 0.00 3.14 0.00 0.00 3.13 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.57 0.00 8 V 8.96 4.45 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 0.61 0.00 0.00 0.26 0.00 0.00 9 A 8.51 5.36 1.37 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 0.00 0.00 10 A 8.60 5.02 0.38 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 0.00 0.00 11 Y 9.18 5.03 0.00 3.00 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 12 C 8.16 4.86 0.00 2.77 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 13 R 8.54 4.84 0.00 1.91 1.89 0.00 3.27 0.00 0.00 3.23 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.66 0.00 14 V 8.77 4.48 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 0.94 0.00 0.00 1.10 0.00 0.00 15 S 8.92 4.64 0.00 3.97 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 T 8.43 4.51 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 17 D 7.82 4.96 0.00 2.96 2.81 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 18 S 8.79 4.46 0.00 3.93 4.23 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 19 E 7.98 4.36 0.00 2.19 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 2.33 2.39 0.00 20 D 7.46 4.89 0.00 2.61 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 21 Q 7.90 4.06 0.00 2.12 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.95 6.67 0.00 0.00 0.00 0.00 0.00 2.45 2.29 0.00 22 L 7.97 3.93 0.00 1.57 1.66 0.88 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 23 N 8.00 4.84 0.00 2.94 2.82 0.00 0.00 6.68 7.23 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 24 S 7.68 4.57 0.00 4.14 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 25 Y 8.64 4.09 0.00 3.09 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 26 K 8.18 3.80 0.00 1.87 1.86 0.00 1.78 0.00 0.00 1.86 0.00 0.00 3.03 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.64 1.69 7.81 27 S 7.95 4.11 0.00 3.95 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 28 Q 8.02 4.01 0.00 2.33 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.77 0.00 0.00 0.00 0.00 0.00 2.39 2.54 0.00 29 V 7.93 3.52 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 0.92 0.00 0.00 0.01 0.00 0.00 30 Q 8.17 3.96 0.00 2.13 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.55 0.00 0.00 0.00 0.00 0.00 2.35 2.55 0.00 31 Y 7.89 3.92 0.00 2.78 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 32 Y 7.81 4.01 0.00 3.06 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 33 T 7.98 4.09 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 1.20 0.00 0.00 34 D 7.76 4.37 0.00 2.72 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *36 I 7.75 4.52 2.07 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.41 1.14 0.00 0.00 37 K 7.88 4.16 0.00 2.02 1.85 0.00 1.63 0.00 0.00 1.99 0.00 0.00 3.03 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.47 1.47 7.81 38 K 7.57 3.84 0.00 1.59 1.73 0.00 1.52 0.00 0.00 1.53 0.00 0.00 2.85 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.39 1.50 7.81 39 N 7.66 4.49 0.00 1.49 1.54 0.00 0.00 6.82 7.22 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 40 K 8.35 4.22 0.00 1.87 1.85 0.00 1.58 0.00 0.00 1.66 0.00 0.00 2.96 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.33 1.42 7.81 41 E 8.69 4.22 0.00 2.08 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.26 0.00 42 W 7.81 5.69 0.00 3.40 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 43 V 8.92 4.59 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 0.90 0.00 0.00 0.97 0.00 0.00 44 L 8.75 4.36 0.00 1.72 1.67 1.01 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 45 A 9.36 4.25 1.38 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 0.00 0.00 46 D 7.51 4.33 0.00 2.54 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 I 8.08 4.90 1.80 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 1.32 0.75 0.87 0.00 0.00 48 Y 8.97 5.06 0.00 3.05 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 49 A 9.36 4.91 1.37 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 0.00 0.00 50 D 8.67 5.08 0.00 2.76 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 51 E 8.93 4.53 0.00 1.98 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 2.30 2.48 0.00 52 A 9.08 4.19 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *59 T 8.56 2.48 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 60 K 8.14 4.18 0.00 1.65 2.19 0.00 2.12 0.00 0.00 1.75 0.00 0.00 3.45 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.32 1.33 7.81 61 R 7.77 4.54 0.00 2.02 1.48 0.00 3.30 0.00 0.00 3.35 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.54 0.00 62 E 9.34 4.01 0.00 2.10 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 2.43 2.39 0.00 63 D 8.74 4.52 0.00 3.03 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 64 F 8.55 3.84 0.00 2.86 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 65 Q 8.32 4.05 0.00 2.29 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.86 0.00 0.00 0.00 0.00 0.00 2.61 2.55 0.00 66 R 7.86 4.14 0.00 1.96 2.21 0.00 3.20 0.00 0.00 3.24 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.76 0.00 *68 I 7.72 3.76 1.74 0.00 0.00 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.51 0.64 0.88 0.00 0.00 69 N 8.03 4.41 0.00 2.81 2.86 0.00 0.00 7.13 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 70 D 8.31 4.49 0.00 2.64 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 71 C 7.49 4.33 0.00 3.10 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 *73 N 8.23 4.56 0.00 2.85 2.90 0.00 0.00 7.22 7.65 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 74 G 8.09 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 75 E 8.18 4.29 0.00 2.16 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 2.33 2.28 0.00 76 I 7.34 4.64 1.78 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.60 0.81 0.00 0.00 77 D 9.21 4.58 0.00 2.52 2.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *79 V 7.53 4.13 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 0.86 0.00 0.00 0.78 0.00 0.00 80 F 9.02 5.00 0.00 3.04 3.29 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 0.00 81 T 8.99 5.16 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 1.42 0.00 0.00 82 K 9.27 4.41 0.00 2.08 1.96 0.00 1.80 0.00 0.00 1.92 0.00 0.00 2.87 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.72 1.63 7.81 83 S 8.05 5.41 0.00 4.05 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 84 I 8.91 3.51 1.71 0.00 0.00 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.38 -0.03 0.78 0.00 0.00 85 S 8.07 4.22 0.00 4.05 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 86 R 7.77 4.37 0.00 2.12 2.26 0.00 3.32 0.00 0.00 3.27 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.73 0.00 87 F 8.12 4.64 0.00 3.47 3.54 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 88 A 7.25 4.33 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 0.00 0.00 0.00 0.00 0.00 89 R 8.29 4.20 0.00 1.75 1.96 0.00 3.15 0.00 0.00 3.22 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.51 0.00 90 N 7.54 4.93 0.00 2.93 2.88 0.00 0.00 6.30 7.22 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 91 T 8.37 3.85 4.41 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 1.25 0.00 0.00 92 L 7.88 3.97 0.00 1.77 1.68 0.90 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 93 D 9.11 4.26 0.00 2.71 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 94 T 8.04 4.21 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 1.37 0.00 0.00 95 L 8.06 4.00 0.00 1.89 1.72 0.96 0.86 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 96 K 7.72 3.72 0.00 1.61 1.70 0.00 1.52 0.00 0.00 1.13 0.00 0.00 2.80 0.00 0.00 2.23 0.00 0.00 0.00 0.00 0.59 1.19 7.81 97 Y 7.89 4.51 0.00 3.26 3.16 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 98 V 8.47 3.95 2.31 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 1.16 0.00 0.00 1.15 0.00 0.00 99 R 8.13 4.17 0.00 2.11 1.93 0.00 3.31 0.00 0.00 3.16 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.79 0.00 *101 L 7.88 4.22 0.00 2.08 1.95 0.92 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 102 K 8.37 3.91 0.00 1.89 1.97 0.00 1.64 0.00 0.00 1.65 0.00 0.00 2.99 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.43 1.48 7.81 103 E 8.32 4.04 0.00 1.98 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 2.34 2.49 0.00 104 R 7.56 4.46 0.00 1.85 1.90 0.00 3.30 0.00 0.00 3.21 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.63 0.00 105 N 8.09 4.18 0.00 2.85 2.88 0.00 0.00 6.76 7.19 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 0.00 106 I 7.78 4.42 1.92 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 1.42 0.70 0.89 0.00 0.00 107 A 8.17 4.43 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 0.00 0.00 0.00 0.00 0.00 108 V 8.41 4.07 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.40 0.00 0.00 0.59 0.00 0.00 109 Y 8.45 4.54 0.00 2.69 2.37 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 0.00 110 F 8.17 4.86 0.00 2.85 3.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 E 9.51 4.42 0.00 2.19 2.28 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 2.86 2.94 0.00 112 D 8.68 4.59 0.00 2.75 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 0.00 113 E 8.27 4.01 0.00 2.06 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 2.25 2.33 0.00 114 K 7.65 4.23 0.00 2.00 2.02 0.00 1.69 0.00 0.00 1.68 0.00 0.00 3.09 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.61 1.59 7.81 115 I 6.63 4.39 1.94 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 1.28 0.86 0.93 0.00 0.00 116 N 8.54 5.04 0.00 2.99 2.77 0.00 0.00 6.96 7.22 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 0.00 117 T 8.50 4.11 4.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 118 L 8.43 4.54 0.00 1.70 1.73 0.90 0.75 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 0.00 119 T 7.55 4.46 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 1.29 0.00 0.00 *121 D 9.18 4.56 0.00 2.77 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 0.00 122 G 7.92 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 E 8.33 3.99 0.00 2.04 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 2.33 2.56 0.00 124 L 7.88 3.97 0.00 1.75 1.80 0.92 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 125 L 8.15 3.91 0.00 1.77 1.89 0.80 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 126 L 7.86 4.06 0.00 1.93 1.71 0.93 0.79 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 0.00 127 V 7.82 3.55 2.20 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 0.99 0.00 0.00 0.93 0.00 0.00 128 V 7.90 3.57 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.96 0.00 0.00 129 L 8.30 3.96 0.00 1.69 1.70 0.91 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 130 S 8.30 4.14 0.00 4.00 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 0.00 131 S 8.01 4.11 0.00 4.01 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 0.00 132 V 8.04 3.55 2.20 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 1.00 0.00 0.00 0.94 0.00 0.00 133 A 8.33 4.13 1.37 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 0.00 0.00 134 Q 8.09 3.87 0.00 2.28 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.75 0.00 0.00 0.00 0.00 0.00 2.35 2.50 0.00 135 Q 7.95 3.96 0.00 2.19 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.58 0.00 0.00 0.00 0.00 0.00 2.35 2.39 0.00 136 E 8.34 3.97 0.00 2.19 1.97 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 2.32 2.49 0.00 137 V 7.94 3.57 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 0.98 0.00 0.00 138 E 8.30 3.99 0.00 2.06 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 2.32 2.59 0.00 139 N 8.61 4.32 0.00 2.91 2.86 0.00 0.00 7.00 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 0.00 140 I 7.78 3.68 2.02 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 1.40 0.73 0.91 0.00 0.00 141 S 8.18 4.04 0.00 3.89 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 0.00 142 A 8.28 4.01 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 143 N 8.40 4.28 0.00 2.93 2.87 0.00 0.00 6.67 7.19 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 0.00 144 V 8.02 3.56 2.23 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 1.03 0.00 0.00 0.99 0.00 0.00 145 K 8.04 3.98 0.00 2.00 1.84 0.00 1.72 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.46 1.64 7.81 146 K 8.14 4.06 0.00 1.81 1.88 0.00 1.72 0.00 0.00 1.83 0.00 0.00 3.03 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.48 1.46 7.81 147 G 8.22 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 0.00 0.00 0.00 148 L 7.77 4.20 0.00 1.81 1.76 0.92 0.71 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 0.00 149 K 7.51 4.24 0.00 1.87 1.84 0.00 1.73 0.00 0.00 1.70 0.00 0.00 3.03 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.48 1.71 7.81 *151 K 8.17 4.13 0.00 1.89 1.77 0.00 1.79 0.00 0.00 1.77 0.00 0.00 3.02 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.35 1.64 7.81 *153 K 8.54 4.40 0.00 1.97 2.01 0.00 1.54 0.00 0.00 1.73 0.00 0.00 2.96 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.35 1.51 7.81 154 R 8.51 4.60 0.00 2.14 2.02 0.00 3.42 0.00 0.00 3.26 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.58 0.00 155 G 8.27 3.98 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 0.00 0.00 0.00 156 E 8.61 4.10 0.00 1.93 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 2.33 2.43 0.00 157 L 7.83 4.45 0.00 1.56 1.65 0.90 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 158 V 7.29 4.19 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 0.90 0.00 0.00 0.86 0.00 0.00 159 G 8.41 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 0.00 160 F 8.43 4.44 0.00 3.08 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 * Residues marked with a * may have inaccurate shift predictions.