NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 R 4.4885 8.1133 119.6524 56.1474 32.1243 173.7690 3 I 4.7568 8.5594 125.9662 59.1362 40.3162 172.8993 4 Y 5.1884 10.3094 126.5565 56.2553 41.0844 174.2666 5 L 5.3488 9.0374 124.5225 53.1149 44.1701 175.7080 6 I 4.7635 9.7327 116.8885 59.0088 41.7273 174.7472 7 G 3.5223 7.8791 108.3011 42.7482 0.0000 175.7585 8 F 4.8811 7.4615 124.0997 57.2841 37.9508 175.7073 *10 C 4.6426 8.7973 122.7449 56.2113 42.3590 173.9957 11 S 4.2757 8.5410 114.5669 58.7075 63.1305 174.8622 12 G 4.0081 8.3911 107.9483 45.7589 0.0000 174.8924 13 K 3.8718 8.3220 120.4396 59.8148 32.0812 178.9048 14 S 4.3348 8.1547 113.5976 61.8202 63.0525 176.5746 15 T 3.7985 7.7080 118.8564 66.2998 68.3463 176.9192 16 V 3.6452 8.5106 120.7486 65.8797 31.4827 178.3617 17 G 3.5268 8.6289 106.0923 47.5614 0.0000 175.6390 18 S 3.0774 7.0148 115.1436 60.8568 62.4131 176.1607 19 L 3.8987 7.4755 122.4324 57.7743 41.7787 178.6920 20 L 3.9454 7.8735 120.9045 57.9457 41.9818 179.0620 21 S 4.1479 8.1936 114.5270 61.5866 62.7219 176.7468 22 R 3.8802 7.5891 120.4184 59.0608 29.8903 179.0257 23 S 4.2532 7.8230 113.3558 60.6689 62.8942 175.6844 24 L 4.3817 7.5068 119.0682 53.5410 42.2978 175.9669 25 N 4.2448 8.2389 115.6303 54.4943 36.4414 173.7005 26 I 4.7515 7.4814 108.7746 58.0381 41.1866 173.4771 27 P 4.3375 0.0000 0.0000 62.9403 32.4275 174.9349 28 F 5.3918 8.3695 124.9270 56.7528 41.7405 174.0001 29 Y 4.3800 8.2875 122.1726 56.1041 42.8325 173.3477 30 D 5.2134 8.1337 121.4585 51.5707 43.6085 176.4316 31 V 3.5852 8.8446 126.1606 66.5175 31.5504 177.8441 32 D 4.4978 8.1827 117.8701 57.4556 40.6687 178.5876 33 E 4.0118 8.6616 119.0236 59.5212 29.5343 179.0369 34 E 4.0217 8.4330 119.4070 59.0942 29.6136 179.0295 35 V 3.5739 8.0459 118.5979 66.1435 31.5742 177.8141 36 Q 4.3931 8.3346 119.2204 58.2256 28.3896 178.9605 37 K 3.9138 8.2349 119.5885 59.9333 32.3584 178.8881 38 R 4.0978 8.0493 116.1554 58.4884 29.7568 177.9924 39 E 4.4798 8.4024 117.8167 55.6785 29.8109 177.7876 40 G 4.3001 8.4347 106.2149 45.6444 0.0000 173.1373 41 L 4.9144 7.3514 118.6171 51.9487 45.4843 176.2412 42 S 4.8992 8.3720 117.6707 57.0052 65.4115 175.3149 43 I 3.7160 8.5825 124.6726 64.6083 36.8362 176.6360 44 P 4.0976 0.0000 0.0000 65.7395 31.1842 178.7303 45 Q 4.1107 7.7839 115.8867 58.9520 28.4826 178.8965 46 I 3.8666 8.1498 121.2936 64.1174 37.1547 178.4278 47 F 3.8731 8.6072 119.0235 60.6756 38.6465 177.4462 48 E 4.0822 8.6389 117.4058 58.2891 29.4318 177.8057 49 K 4.2682 7.7750 118.6233 57.2482 33.0441 176.5932 50 K 4.2252 8.3312 116.4655 55.0448 33.9894 176.8590 51 G 4.0636 8.0858 103.1041 46.3308 0.0000 174.0572 52 E 2.9929 8.5648 119.8198 58.8842 29.4674 178.9752 53 A 3.9670 8.0016 120.1148 55.5142 18.3727 178.7976 54 Y 3.8763 7.9594 117.2967 60.6777 38.9085 177.8703 55 F 4.0917 8.0563 121.0917 61.3584 39.3922 177.1886 56 R 3.7076 8.5438 117.9727 59.1736 29.8854 178.9882 57 K 3.8582 7.9748 119.2733 59.3695 32.0774 178.6141 58 L 3.7110 7.6322 120.6459 57.8076 41.8340 178.7439 59 E 3.7235 7.8085 118.6609 59.3942 29.3530 179.1513 60 F 4.4150 7.7957 120.5218 61.2514 39.3123 176.7303 61 E 3.6111 8.0817 119.0527 59.1729 29.3500 179.0161 62 V 3.4800 7.9846 118.6517 65.6075 31.3263 177.5262 63 L 4.0076 8.0199 119.6356 58.3958 42.1610 178.9160 64 K 4.0776 8.0284 118.2603 59.3830 31.8088 179.0567 65 D 4.3002 8.2225 119.4759 57.5340 40.8167 179.0198 66 L 3.9304 8.2373 119.2357 57.1927 41.3307 178.8108 67 S 4.6802 7.6214 112.8566 59.4437 63.0507 175.0125 68 E 4.1574 7.9057 121.8556 58.8146 29.5595 178.0766 69 K 4.1095 7.3915 117.0038 56.5964 32.4801 177.0936 70 E 4.1078 8.7995 122.8099 58.1911 29.8831 176.2915 71 N 5.0845 7.5856 115.4368 51.8861 41.0067 174.3474 72 V 4.4321 7.7654 120.9668 61.1216 34.5312 171.2171 73 V 4.7385 8.4839 122.4982 61.2971 33.9463 174.3123 74 I 5.0524 8.7213 129.2199 59.5643 39.9477 174.8776 75 S 5.1858 9.0845 123.2449 57.6998 65.0176 173.4815 76 T 4.8309 8.5525 112.0748 59.9982 71.8256 173.4342 77 G 4.1704 8.4885 110.1244 43.6497 0.0000 173.6781 78 G 4.0143 8.4495 109.0928 46.6191 0.0000 173.1387 79 G 4.4348 9.0244 117.3803 45.6958 0.0000 175.7924 80 L 3.7931 8.0238 121.8698 57.3490 42.3117 179.4103 81 G 3.6967 8.0789 105.7378 47.7210 0.0000 173.8495 82 A 3.8454 7.4112 120.9219 51.9121 19.3645 177.0238 83 N 4.4754 7.6766 116.3767 52.1723 39.3481 174.8015 84 E 3.7866 8.5627 129.8521 59.1378 29.6284 178.2550 85 E 3.8799 8.1034 118.7518 59.2458 29.6504 178.5068 86 A 3.6747 7.6794 119.4352 54.7250 18.3204 179.0332 87 L 3.9351 7.7352 118.3275 58.3673 42.4486 178.6461 88 N 4.4975 8.2240 116.4679 56.0347 38.2632 177.6129 89 F 3.9704 8.0293 118.9008 58.9860 38.8853 176.7243 *91 K 4.3205 8.0742 118.8668 55.8831 33.7906 178.2479 92 S 4.2277 7.7122 112.2932 60.2429 63.2176 175.2150 93 R 4.3035 7.0402 119.0772 56.8975 31.5247 177.0711 94 G 4.2428 6.7255 106.3998 47.2003 0.0000 173.2429 95 T 4.9654 8.6903 120.7202 61.9077 71.5177 173.5400 96 T 5.1489 9.3395 116.6666 60.0778 71.5789 173.5624 97 V 4.9475 9.1540 124.5455 61.1640 34.8538 173.7260 98 F 5.2637 9.8337 132.0940 57.3027 40.6498 174.8010 99 I 4.3718 8.5268 128.8854 60.1836 37.0872 174.6243 100 D 4.0621 8.2271 128.3489 52.9586 42.3779 175.1122 101 I 5.1367 8.3077 118.4089 58.3351 40.8640 173.4515 102 P 4.7395 0.0000 0.0000 62.2992 32.4414 176.7528 103 F 3.4214 8.9527 121.5549 61.5450 38.5166 177.3684 104 E 3.6719 8.0152 116.3974 59.2443 29.2901 179.0457 105 V 3.3884 7.6780 118.6178 65.2759 31.5576 177.6168 106 F 4.1257 8.1434 120.8519 61.1253 39.1735 176.7686 107 L 3.4261 8.0554 119.4971 58.3738 41.6831 177.3971 108 E 4.0593 7.2204 118.3833 57.9798 29.6241 177.5936 109 R 4.0120 7.8190 119.9881 59.2894 31.0733 177.3012 110 C 4.7058 8.2170 122.9679 56.2564 38.6705 177.1957 *121 R 4.0295 8.4401 126.2916 56.7383 29.4337 174.0382 122 P 4.5308 0.0000 0.0000 62.0260 30.4012 176.8180 123 L 3.5248 8.0696 112.5957 56.0864 39.3803 174.9987 124 D 4.5593 8.1655 115.0564 55.5747 39.6891 174.8218 125 E 4.2767 7.7650 116.1838 57.4298 29.6155 178.0228 126 I 4.0191 7.8714 118.9835 63.1082 37.8766 177.2663 127 K 3.4836 7.9296 120.8450 59.8959 31.9764 178.3305 128 N 4.2849 8.5204 117.2508 56.2254 38.3794 177.1704 129 L 3.9737 7.8410 121.3121 57.9331 42.2860 178.6565 130 F 3.9750 8.1373 120.6254 61.2494 39.4197 177.0005 131 E 3.8065 8.3819 118.4413 59.2374 28.9250 178.8595 132 E 3.7813 8.3155 119.5268 59.5387 29.7377 179.1820 133 R 3.2544 7.9456 118.0639 58.9359 29.9556 179.0609 134 R 3.6066 7.6894 118.4523 59.0922 29.7071 178.6781 135 K 3.8109 7.3773 117.4308 59.3439 32.2462 179.0317 136 I 3.7209 6.7443 119.6120 64.4025 36.9511 177.8852 137 Y 3.9147 7.0800 117.5019 61.0760 37.2615 178.7082 138 S 4.4968 7.6896 114.1359 60.1667 62.9778 175.5915 139 K 4.2596 7.6654 120.1163 55.5813 32.3282 176.8631 140 A 4.2219 7.2447 122.8493 52.2706 18.9931 177.6641 141 D 4.6327 8.8361 120.6386 56.8259 41.5724 177.4133 142 I 4.7456 8.2439 118.2046 59.1709 41.2921 174.6455 143 K 5.1582 8.7762 126.5285 54.7846 34.6950 175.4760 144 V 4.5516 8.6971 119.6398 59.2225 36.3111 174.9319 145 K 4.3539 8.6811 123.7871 56.5169 32.0706 177.2505 146 G 3.7817 9.1334 112.8641 46.9358 0.0000 174.2222 147 E 4.1509 8.2035 121.4826 58.7485 29.9790 177.1483 148 K 4.2247 7.7396 116.9550 55.1289 32.9848 175.0731 149 P 4.5011 0.0000 0.0000 61.9622 33.2319 175.1226 150 P 4.1313 0.0000 0.0000 66.3458 31.2495 178.3255 151 E 3.9081 8.2644 116.2166 59.9840 29.3824 179.4997 152 E 4.0233 8.0684 117.7419 59.0662 29.6319 179.3718 153 V 3.5387 7.7164 118.4918 65.9705 31.5949 178.2806 154 V 3.5638 8.0317 118.3391 65.8771 31.4842 177.8626 155 K 3.9034 8.0981 119.4258 59.4739 31.7833 178.4279 156 E 3.9687 8.0042 118.8226 59.0971 29.7545 178.6613 157 I 3.8538 7.9087 119.8989 64.4274 36.9396 178.0852 158 L 3.9587 8.0044 119.8845 58.1106 41.3279 179.4100 159 L 3.9935 7.6687 115.6758 56.5190 42.1043 178.6611 160 S 4.4525 8.1548 115.4618 60.1917 62.9044 176.1523 161 L 3.9673 7.2115 121.1002 57.9473 41.7206 178.6551 162 E 4.1378 8.2966 118.4504 59.5928 29.3723 178.9090 163 G 3.7452 8.0728 104.0779 47.8801 0.0000 174.3886 164 N 4.5023 7.9848 117.7957 56.1606 39.0291 176.6485 165 A 4.1877 7.8597 121.8841 54.0850 18.5632 177.2464 166 L 4.3130 7.6788 120.5119 54.9929 42.6285 176.2897 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 2 R 8.11 4.49 0.00 1.80 1.73 0.00 3.32 0.00 0.00 3.39 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.82 0.00 3 I 8.56 4.76 1.84 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 1.24 0.96 0.94 0.00 0.00 4 Y 10.31 5.19 0.00 2.95 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 5 L 9.04 5.35 0.00 1.69 1.65 1.05 0.89 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 6 I 9.73 4.76 1.83 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.91 0.97 0.00 0.00 7 G 7.88 3.52 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 0.00 8 F 7.46 4.88 0.00 3.38 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 *10 C 8.80 4.64 0.00 3.13 3.25 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 0.00 11 S 8.54 4.28 0.00 4.14 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 G 8.39 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 13 K 8.32 3.87 0.00 1.90 2.00 0.00 1.72 0.00 0.00 1.85 0.00 0.00 3.31 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.59 1.59 7.81 14 S 8.15 4.33 0.00 4.22 4.30 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 15 T 7.71 3.80 4.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 16 V 8.51 3.65 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 0.94 0.00 0.00 17 G 8.63 3.53 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 0.00 0.00 0.00 18 S 7.01 3.08 0.00 3.34 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 19 L 7.48 3.90 0.00 1.82 1.68 0.87 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 20 L 7.87 3.95 0.00 1.86 1.80 0.91 0.60 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 21 S 8.19 4.15 0.00 4.41 4.19 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 22 R 7.59 3.88 0.00 1.79 2.00 0.00 3.09 0.00 0.00 3.18 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.74 0.00 23 S 7.82 4.25 0.00 3.82 3.91 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 24 L 7.51 4.38 0.00 1.67 1.70 0.94 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 25 N 8.24 4.24 0.00 2.85 2.91 0.00 0.00 6.73 7.35 0.00 0.00 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 I 7.48 4.75 1.89 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.69 0.92 0.00 0.00 27 P 0.00 4.34 0.00 2.20 1.95 0.00 3.79 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.11 0.00 28 F 8.37 5.39 0.00 2.87 2.82 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 29 Y 8.29 4.38 0.00 2.68 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 30 D 8.13 5.21 0.00 2.74 2.47 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.84 3.59 2.12 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 1.04 0.00 0.00 1.04 0.00 0.00 32 D 8.18 4.50 0.00 2.99 2.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 E 8.66 4.01 0.00 2.19 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.54 0.00 34 E 8.43 4.02 0.00 2.19 2.12 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 2.20 2.32 0.00 35 V 8.05 3.57 2.38 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 1.10 0.00 0.00 0.88 0.00 0.00 36 Q 8.33 4.39 0.00 2.36 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.54 0.00 0.00 0.00 0.00 0.00 2.62 2.62 0.00 37 K 8.23 3.91 0.00 1.84 2.14 0.00 1.86 0.00 0.00 1.91 0.00 0.00 3.08 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.49 1.53 7.81 38 R 8.05 4.10 0.00 1.97 2.00 0.00 3.18 0.00 0.00 3.21 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.97 0.00 39 E 8.40 4.48 0.00 2.17 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 0.00 2.40 2.66 0.00 40 G 8.43 4.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 L 7.35 4.91 0.00 1.56 1.58 1.01 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 42 S 8.37 4.90 0.00 4.02 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 43 I 8.58 3.72 1.80 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 1.86 0.77 0.44 0.00 0.00 44 P 0.00 4.10 0.00 2.12 2.01 0.00 3.52 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.03 0.00 45 Q 7.78 4.11 0.00 2.45 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.82 0.00 0.00 0.00 0.00 0.00 2.40 2.42 0.00 46 I 8.15 3.87 2.21 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.01 1.21 0.00 0.00 47 F 8.61 3.87 0.00 3.11 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 48 E 8.64 4.08 0.00 2.05 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 2.34 2.34 0.00 49 K 7.77 4.27 0.00 1.84 1.83 0.00 1.77 0.00 0.00 1.60 0.00 0.00 2.92 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.30 1.38 7.81 50 K 8.33 4.23 0.00 1.27 1.32 0.00 1.83 0.00 0.00 1.60 0.00 0.00 2.96 0.00 0.00 2.90 0.00 0.00 0.00 0.00 0.95 0.26 7.81 51 G 8.09 4.06 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 0.00 0.00 0.00 52 E 8.56 2.99 0.00 1.80 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.27 0.00 53 A 8.00 3.97 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 54 Y 7.96 3.88 0.00 3.10 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 55 F 8.06 4.09 0.00 3.04 2.90 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 56 R 8.54 3.71 0.00 2.14 1.93 0.00 3.57 0.00 0.00 3.42 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.70 0.00 57 K 7.97 3.86 0.00 1.79 1.80 0.00 1.56 0.00 0.00 1.47 0.00 0.00 2.85 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.23 1.32 7.81 58 L 7.63 3.71 0.00 1.35 1.46 0.80 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 59 E 7.81 3.72 0.00 1.97 1.81 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 1.84 1.47 0.00 60 F 7.80 4.42 0.00 2.86 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 61 E 8.08 3.61 0.00 1.90 1.90 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 2.16 2.14 0.00 62 V 7.98 3.48 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 0.95 0.00 0.00 0.93 0.00 0.00 63 L 8.02 4.01 0.00 2.02 1.99 1.02 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 64 K 8.03 4.08 0.00 1.66 1.56 0.00 1.01 0.00 0.00 1.04 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.30 0.62 7.81 65 D 8.22 4.30 0.00 2.74 2.63 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 0.00 0.00 0.00 66 L 8.24 3.93 0.00 1.77 1.55 0.79 0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 67 S 7.62 4.68 0.00 4.36 4.13 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 68 E 7.91 4.16 0.00 1.94 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 2.46 2.42 0.00 69 K 7.39 4.11 0.00 1.91 1.79 0.00 1.78 0.00 0.00 1.86 0.00 0.00 2.76 0.00 0.00 2.47 0.00 0.00 0.00 0.00 1.50 1.39 7.81 70 E 8.80 4.11 0.00 1.97 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 2.32 2.34 0.00 71 N 7.59 5.08 0.00 2.57 2.73 0.00 0.00 6.77 7.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 V 7.77 4.43 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.00 0.00 1.17 0.00 0.00 73 V 8.48 4.74 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 1.27 0.00 0.00 0.97 0.00 0.00 74 I 8.72 5.05 1.76 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 1.31 0.55 1.03 0.00 0.00 75 S 9.08 5.19 0.00 4.04 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 0.00 76 T 8.55 4.83 4.30 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 1.34 0.00 0.00 77 G 8.49 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 0.00 0.00 0.00 0.00 78 G 8.45 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 79 G 9.02 4.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 L 8.02 3.79 0.00 1.71 1.84 0.65 0.97 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 81 G 8.08 3.70 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 0.00 0.00 0.00 82 A 7.41 3.85 0.77 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 0.00 0.00 83 N 7.68 4.48 0.00 2.74 2.65 0.00 0.00 6.77 7.77 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 84 E 8.56 3.79 0.00 1.96 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 0.00 2.32 2.30 0.00 85 E 8.10 3.88 0.00 2.04 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 2.54 2.43 0.00 86 A 7.68 3.67 0.62 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 0.00 0.00 87 L 7.74 3.94 0.00 1.52 1.77 0.87 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 88 N 8.22 4.50 0.00 3.03 2.86 0.00 0.00 6.67 7.41 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 89 F 8.03 3.97 0.00 3.36 3.36 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 *91 K 8.07 4.32 0.00 1.97 1.84 0.00 1.68 0.00 0.00 1.84 0.00 0.00 2.94 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.39 1.60 7.81 92 S 7.71 4.23 0.00 3.89 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 93 R 7.04 4.30 0.00 1.61 2.05 0.00 3.46 0.00 0.00 3.09 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.79 0.00 94 G 6.73 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 0.00 0.00 0.00 0.00 95 T 8.69 4.97 4.30 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 1.31 0.00 0.00 96 T 9.34 5.15 4.30 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 1.18 0.00 0.00 97 V 9.15 4.95 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.99 0.00 0.00 98 F 9.83 5.26 0.00 3.11 2.94 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 99 I 8.53 4.37 1.86 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 1.09 0.71 0.94 0.00 0.00 100 D 8.23 4.06 0.00 1.58 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 0.00 0.00 0.00 101 I 8.31 5.14 2.01 0.00 0.00 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 1.75 1.20 0.99 0.00 0.00 102 P 0.00 4.74 0.00 2.66 2.31 0.00 3.79 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.00 0.00 103 F 8.95 3.42 0.00 1.76 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 E 8.02 3.67 0.00 2.07 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 0.00 2.31 2.26 0.00 105 V 7.68 3.39 2.29 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 1.06 0.00 0.00 0.98 0.00 0.00 106 F 8.14 4.13 0.00 3.14 3.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 L 8.06 3.43 0.00 1.22 1.37 0.73 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 108 E 7.22 4.06 0.00 2.02 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 2.20 2.26 0.00 109 R 7.82 4.01 0.00 1.75 1.97 0.00 3.46 0.00 0.00 3.24 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.82 0.00 110 C 8.22 4.71 0.00 2.11 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 0.00 0.00 0.00 *121 R 8.44 4.03 0.00 1.94 2.02 0.00 3.00 0.00 0.00 3.26 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.62 0.00 122 P 0.00 4.53 0.00 2.27 2.28 0.00 3.85 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.03 0.00 123 L 8.07 3.52 0.00 1.86 1.87 0.94 1.13 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 0.00 124 D 8.17 4.56 0.00 2.92 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 0.00 125 E 7.77 4.28 0.00 2.20 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 2.35 2.49 0.00 126 I 7.87 4.02 2.03 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 1.68 1.09 0.00 0.00 127 K 7.93 3.48 0.00 1.91 1.79 0.00 1.67 0.00 0.00 1.69 0.00 0.00 2.97 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.27 1.05 7.81 128 N 8.52 4.28 0.00 2.87 2.85 0.00 0.00 6.70 6.61 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 0.00 129 L 7.84 3.97 0.00 1.80 1.96 1.07 1.18 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 0.00 130 F 8.14 3.97 0.00 2.67 2.67 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.38 3.81 0.00 2.12 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 0.00 2.35 2.43 0.00 132 E 8.32 3.78 0.00 2.27 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 2.25 2.31 0.00 133 R 7.95 3.25 0.00 1.65 0.97 0.00 3.26 0.00 0.00 2.97 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.77 0.00 134 R 7.69 3.61 0.00 1.53 1.75 0.00 3.03 0.00 0.00 3.07 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.76 0.00 135 K 7.38 3.81 0.00 1.93 1.72 0.00 1.69 0.00 0.00 1.86 0.00 0.00 2.99 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.40 1.40 7.81 136 I 6.74 3.72 1.47 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.80 0.75 0.00 0.00 137 Y 7.08 3.91 0.00 1.69 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 0.00 138 S 7.69 4.50 0.00 3.92 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 0.00 139 K 7.67 4.26 0.00 1.78 1.79 0.00 1.63 0.00 0.00 1.65 0.00 0.00 2.97 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.40 1.60 7.81 140 A 7.24 4.22 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 0.00 141 D 8.84 4.63 0.00 2.72 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 0.00 142 I 8.24 4.75 1.92 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 1.14 1.10 0.94 0.00 0.00 143 K 8.78 5.16 0.00 1.87 1.70 0.00 1.78 0.00 0.00 1.86 0.00 0.00 3.25 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.22 1.26 7.81 144 V 8.70 4.55 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.73 0.00 0.00 0.94 0.00 0.00 145 K 8.68 4.35 0.00 1.61 1.74 0.00 1.73 0.00 0.00 1.71 0.00 0.00 2.75 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.43 1.41 7.81 146 G 9.13 3.78 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 0.00 0.00 0.00 147 E 8.20 4.15 0.00 1.93 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 2.30 2.39 0.00 148 K 7.74 4.22 0.00 1.77 1.73 0.00 1.86 0.00 0.00 1.75 0.00 0.00 3.00 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.44 1.42 7.81 149 P 0.00 4.50 0.00 2.42 2.16 0.00 3.72 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 2.06 2.04 0.00 150 P 0.00 4.13 0.00 2.14 2.13 0.00 3.61 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 2.10 2.19 0.00 151 E 8.26 3.91 0.00 2.03 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 2.39 2.47 0.00 152 E 8.07 4.02 0.00 2.12 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 2.39 2.29 0.00 153 V 7.72 3.54 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 0.97 0.00 0.00 0.94 0.00 0.00 154 V 8.03 3.56 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 0.94 0.00 0.00 155 K 8.10 3.90 0.00 1.97 1.92 0.00 1.68 0.00 0.00 1.57 0.00 0.00 2.98 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.43 1.44 7.81 156 E 8.00 3.97 0.00 2.15 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 2.32 2.34 0.00 157 I 7.91 3.85 2.00 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.65 0.93 0.00 0.00 158 L 8.00 3.96 0.00 1.84 1.74 0.91 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 159 L 7.67 3.99 0.00 1.66 1.72 0.94 0.68 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 0.00 160 S 8.15 4.45 0.00 4.01 3.91 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 0.00 161 L 7.21 3.97 0.00 1.77 1.76 0.93 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 162 E 8.30 4.14 0.00 2.03 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 2.38 2.39 0.00 163 G 8.07 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 0.00 164 N 7.98 4.50 0.00 2.85 3.03 0.00 0.00 7.18 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 0.00 165 A 7.86 4.19 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 166 L 7.68 4.31 0.00 1.60 1.52 0.92 0.81 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 * Residues marked with a * may have inaccurate shift predictions.