NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 L 4.2015 8.1849 120.6046 54.5720 42.2822 175.8685 5 Q 4.4387 8.4073 123.9883 54.4259 29.6821 173.6680 6 Q 4.7632 8.7341 122.0174 52.9174 33.5307 173.3319 7 P 4.4315 0.0000 0.0000 62.8531 32.1813 177.5122 8 G 3.8110 8.7566 107.5970 49.3842 0.0000 172.8707 9 A 5.0870 7.5960 118.6278 51.0681 22.4153 175.9862 10 E 4.4963 8.6880 118.8225 54.8010 33.8263 174.3271 11 L 4.9061 8.6559 127.4907 53.8501 43.3306 175.8296 12 V 4.5816 8.5733 119.8661 59.1476 35.2284 175.6430 13 K 4.9911 8.8683 123.9082 54.8553 33.3816 174.8716 14 P 4.4604 0.0000 0.0000 64.4323 31.5986 176.7114 15 G 3.8559 9.1798 110.7991 44.9509 0.0000 173.1477 16 A 4.4685 7.7955 122.0211 51.3949 20.5576 176.1275 17 S 5.2608 8.1393 113.5992 57.0070 66.3279 173.6768 18 V 4.3267 8.2665 116.9027 60.5742 34.7434 172.4425 19 K 4.8109 8.5270 124.7405 54.6919 33.7310 175.2404 20 L 4.5398 9.0679 129.2798 54.3428 42.9763 176.4499 21 S 5.4943 8.6703 117.0546 56.4062 65.6462 174.4130 22 C 4.8495 8.4997 125.8343 57.0634 50.9984 176.9587 *31 S 3.5685 8.6648 103.9394 57.4811 61.5641 171.0777 32 S 4.7294 6.5162 119.0607 56.7731 68.6151 172.9107 33 W 5.2314 9.0967 120.7500 55.3653 31.3165 175.4874 34 I 4.6098 9.2352 126.3315 60.1070 38.3256 174.7180 35 N 5.4965 9.0129 124.9812 51.3559 41.7832 173.8645 36 W 5.2179 8.7210 120.5396 54.9689 32.6408 174.8916 37 V 4.9004 9.1920 123.4584 61.0844 34.6126 174.0434 38 K 4.7693 9.0205 128.5905 55.1252 35.0887 175.0310 39 Q 5.0195 8.4082 125.8801 56.0327 32.8518 173.4596 40 R 4.4826 8.7958 126.3200 54.8757 31.8069 174.2753 41 P 4.4458 0.0000 0.0000 64.6632 31.5425 176.5689 42 G 3.9625 9.1762 110.6360 45.7839 0.0000 172.4745 43 Q 4.8385 8.4215 119.5098 53.8458 31.2645 174.3945 44 G 4.0368 8.3278 107.2747 45.4608 0.0000 171.6154 45 L 5.2904 8.3680 118.2241 52.9884 44.1894 176.2818 46 E 4.9461 9.2368 122.2259 54.3064 33.2798 174.6411 47 W 4.8326 9.0618 133.8743 57.1014 31.5820 175.6005 48 I 3.4371 8.2916 128.5794 61.7862 38.1655 176.0708 49 G 2.8591 5.8199 105.7071 46.6050 0.0000 170.2313 50 N 5.7841 8.5084 116.7635 52.0705 41.3699 173.6478 51 V 4.9895 9.2633 118.0606 60.5152 35.6239 173.8967 52 Y 4.6921 7.9026 122.2347 52.8877 39.0373 173.5275 52A P 4.2999 0.0000 0.0000 62.1662 29.6097 176.3439 *56 S 4.2969 7.6366 113.3235 58.2198 63.8146 172.1677 57 T 5.3447 8.4459 116.1801 60.0864 72.3227 172.8166 58 N 5.1283 9.1458 119.2251 52.0153 42.2132 173.2332 59 Y 4.8556 8.8239 121.0552 56.0615 41.0811 174.7713 60 N 4.8633 9.0968 121.9573 53.1045 39.8928 175.5780 61 E 4.0819 9.4839 126.1117 59.8101 29.8277 179.7016 62 K 3.9130 8.4513 116.8037 58.7211 32.3045 177.6840 63 F 4.6557 8.5405 116.1660 56.6245 39.4460 175.7444 64 K 3.6810 7.5156 120.4660 58.1050 32.4082 175.7559 65 N 4.5198 8.4085 124.6658 54.2067 37.0854 175.5011 66 K 3.8497 7.9410 117.8033 58.8243 32.3230 175.7494 67 A 5.2926 7.7870 118.2429 50.3497 21.8117 176.3593 68 T 4.7158 8.5800 116.5039 62.0075 72.4335 172.9482 69 L 5.1474 9.0719 127.8573 53.6243 43.1668 176.2720 70 T 4.9419 9.1013 113.2812 60.4983 73.1416 172.9321 71 V 4.8546 8.3015 113.4518 60.1137 35.9372 174.7490 72 D 4.8526 9.1897 125.8970 52.5015 41.3761 176.4659 73 T 3.7749 8.6494 116.3804 64.6436 68.6294 175.7534 74 S 4.0953 8.0191 116.6778 61.6346 62.9506 175.3060 75 S 4.3814 8.9480 113.3719 57.6865 63.6988 174.2477 76 S 3.6014 7.8865 113.9425 59.1137 60.4790 170.1849 77 T 4.5271 7.1279 114.8786 60.1352 71.2719 172.3871 78 A 4.8957 8.2808 129.7895 51.3168 21.1727 175.4490 79 Y 5.5235 9.3607 117.1381 56.5044 42.8400 174.2850 80 M 4.6257 8.5044 121.6662 53.6679 35.4130 173.5695 81 Q 4.7416 8.9414 128.2914 54.5306 31.3011 173.9001 82 L 5.1490 8.8577 127.3346 53.2328 43.6948 175.7315 82A S 4.8674 8.7175 118.8635 57.1006 65.3221 174.7411 82B S 3.8661 8.2825 111.6144 58.6447 61.5101 171.7164 82C L 4.4199 8.2152 126.4763 55.8585 42.6290 176.5510 83 T 4.9080 8.8031 114.9898 59.9854 71.0492 174.8491 84 S 4.1993 8.7551 118.4371 61.8094 62.8223 176.8810 85 D 4.4389 8.1883 118.3942 57.2191 40.6236 177.3200 86 D 4.7042 8.2208 117.8473 55.9175 41.2825 176.7957 87 S 4.8133 8.5557 116.2467 58.5809 63.1417 173.7079 88 A 4.1506 8.0673 125.1114 51.4078 22.2064 174.7348 89 F 4.5638 8.7206 118.5916 57.4063 40.6806 174.8746 90 Y 5.0676 9.1059 120.2518 56.5053 40.9664 174.2920 91 Y 5.5038 9.4473 122.1424 56.2912 41.9176 172.1260 92 C 4.8370 8.8916 116.5644 53.4564 41.3811 172.9053 93 V 4.7219 8.3265 121.6348 59.7743 34.2503 174.3198 94 R 4.6420 8.5675 126.0043 55.4749 31.4992 174.5892 95 K 4.6038 9.0209 128.5519 55.0909 33.7542 176.0388 96 D 4.0900 9.6662 131.2181 57.3205 41.3565 179.1612 *100 F 3.5430 7.5300 118.7981 57.1397 34.2663 175.2863 101 P 4.5472 0.0000 0.0000 62.0522 32.3660 176.0663 102 Y 4.4683 8.8406 123.8215 55.8032 39.5294 174.6714 103 W 4.3432 8.7447 127.1168 56.5450 30.0805 176.7504 104 G 4.2380 8.5960 111.5804 45.1464 0.0000 173.9855 105 Q 4.2318 8.8308 117.7558 57.0701 28.9214 177.8551 106 G 4.0809 8.4816 103.0519 45.9079 0.0000 172.4271 107 T 4.9609 8.8539 117.3710 60.6105 71.3265 173.3758 108 L 4.3636 8.5634 129.7609 53.8956 43.0251 175.3089 109 V 4.3882 8.6924 128.1559 62.4560 33.0650 174.6730 110 T 4.7294 8.8033 125.0884 61.8162 70.8958 173.4187 111 V 4.5902 8.6543 128.3445 62.1976 32.2091 174.9547 112 S 4.7040 8.8089 120.6040 58.0581 66.1668 175.6843 113 A 4.4035 8.7685 125.1787 52.2564 19.3341 177.7072 114 A 4.0820 7.8819 119.4319 51.5486 18.9778 177.1004 115 K 4.5752 7.9368 118.4672 55.1779 34.6556 176.2780 116 T 4.4813 8.4250 115.7402 62.8186 68.1448 173.5788 117 T 4.7102 10.0420 125.8533 61.4320 71.8972 173.4488 118 A 4.4650 8.9367 128.7295 51.6908 19.1127 175.0761 119 P 4.7935 0.0000 0.0000 62.6151 33.1769 175.3806 120 S 4.5027 8.9497 117.4566 56.9116 64.9051 173.4035 121 V 4.3925 7.9693 124.6256 61.4615 32.9498 173.9686 122 Y 5.0734 8.8937 126.9783 55.5622 40.1892 173.8588 123 P 4.8766 0.0000 0.0000 62.6235 33.0891 175.7275 124 L 4.8128 8.9454 121.3244 53.2565 44.4750 175.3505 125 A 4.8272 8.5470 125.2983 48.9513 21.5315 175.3743 126 P 4.5633 0.0000 0.0000 62.0099 30.7677 177.2065 *136 S 4.6434 8.6513 114.2925 58.7982 65.3896 173.8469 137 S 5.3803 8.0454 113.7919 56.5473 66.5488 173.5027 138 V 4.5382 8.9340 119.4479 60.2550 34.8462 174.4212 139 T 4.8543 8.4630 119.3575 61.9914 70.3646 173.6094 140 L 4.4447 8.4107 126.9081 53.0719 44.9275 175.7337 141 G 4.6288 9.0292 107.8376 45.2779 0.0000 170.5065 142 C 5.4367 9.5635 119.3613 55.2370 42.3849 172.1961 143 L 5.0199 9.3371 129.4360 53.5917 43.9669 175.1276 144 V 4.6686 9.5076 127.9626 61.1956 32.9384 173.7262 145 K 4.7768 9.0520 129.4490 54.5165 34.9862 175.7311 146 G 4.1509 7.9885 112.2629 47.2407 0.0000 172.7854 147 Y 5.2490 7.5579 115.9942 55.4985 41.6763 175.2875 148 F 4.9041 9.1444 120.6006 57.1169 43.6055 172.0039 149 P 3.8733 0.0000 0.0000 60.9521 33.8741 174.7964 150 E 4.1649 8.0086 119.1580 55.9572 29.9717 173.7379 151 P 4.9685 0.0000 0.0000 61.0742 33.9792 174.1712 152 V 4.5410 7.9000 109.7104 59.9641 35.4820 175.9028 153 T 4.4058 8.5937 120.8013 62.0319 70.3374 173.0392 154 L 5.6007 8.4572 128.9439 52.9500 44.7694 175.4878 *157 T 4.8820 8.0719 114.1697 61.6471 71.0120 171.9840 158 W 5.4696 8.0878 119.3621 53.3133 33.0641 176.5020 *162 N 4.7267 8.4606 121.5951 53.9501 39.4202 174.6871 163 S 3.5161 10.5183 110.0634 59.7344 60.4301 174.1395 164 G 4.1132 8.4706 109.8520 45.5733 0.0000 176.8716 165 S 4.2549 7.8807 115.4235 60.6612 62.9961 174.6046 166 L 4.7675 7.3535 117.3665 52.9621 42.9072 176.1784 167 S 4.5258 8.5073 115.3702 59.3883 65.6887 175.2908 168 S 4.1838 8.4183 116.1381 61.8155 62.7213 176.0662 169 G 4.1092 7.6283 105.3729 45.8939 0.0000 172.4005 *171 V 4.3498 7.7911 118.9386 62.7124 32.8264 174.3080 172 H 4.7308 9.2485 123.7365 54.4147 32.3795 172.5399 173 T 4.6193 8.2158 120.2501 61.4762 70.7576 173.8734 174 F 4.4510 8.5540 126.1651 56.0927 39.6315 174.4276 175 P 4.2508 0.0000 0.0000 62.9096 31.7324 176.0385 176 A 4.6280 8.6204 123.7444 52.5128 19.5200 176.7644 177 V 4.5454 8.6481 118.5750 61.0246 35.1100 174.1800 178 L 4.4455 8.5588 129.3658 54.1853 43.2842 175.8523 179 Q 4.0811 8.7008 127.6641 55.1241 31.8140 174.4348 180 S 3.5231 8.1964 125.1436 59.8995 59.7252 172.5859 *183 D 4.3620 7.8176 116.4260 53.4991 43.0835 175.9459 184 L 4.8963 7.3242 119.7496 53.0179 45.6624 175.4716 185 Y 4.7865 8.8539 121.1202 57.6839 39.7366 174.7157 186 T 5.3348 8.8186 118.4946 61.9687 72.8385 172.8033 187 L 5.2817 9.5585 127.1218 53.6299 46.3786 174.8114 188 S 5.4595 8.8586 118.0276 56.9996 67.2160 172.4119 189 S 5.4681 9.2359 114.5965 57.1775 66.1312 172.8556 190 S 5.4224 9.9485 121.6401 56.5444 66.4839 173.2052 191 V 4.4729 8.3675 120.5705 60.1986 34.2614 174.0899 192 T 4.9070 8.6501 121.6265 61.7771 71.2500 173.7167 193 V 4.4202 8.4131 118.0996 59.2789 36.6122 174.9146 194 T 4.2212 8.6628 118.8494 64.2064 68.5892 174.9743 195 S 4.0769 8.7499 122.8438 61.6650 62.8863 176.7380 196 S 4.2081 7.7128 113.8543 60.1539 63.0260 175.3909 *198 T 4.6522 7.6913 110.5187 60.8681 70.2004 172.8213 199 W 5.1733 7.8215 131.5319 55.2240 33.6026 173.0618 200 P 2.9700 0.0000 0.0000 63.6150 31.1590 176.9356 *202 S 4.3107 7.9437 113.3706 57.7667 64.5536 173.3553 203 Q 4.6373 7.8941 121.0729 53.0420 29.1866 175.5025 204 S 4.3748 8.6572 117.8952 59.0214 63.7624 174.1320 205 I 5.0824 8.7808 121.5796 60.0807 41.1926 174.3652 206 T 5.3657 9.1036 122.0109 60.7951 72.8499 172.1809 *208 C 3.8494 8.6530 124.4321 56.2303 44.4981 171.7686 209 N 5.4645 8.3316 122.8084 51.3530 41.5704 173.4859 210 V 4.5444 8.9113 123.6661 61.0306 34.4842 173.8384 211 A 4.7856 8.6952 130.4874 50.8793 21.2049 175.2421 212 H 5.0144 8.9135 121.5944 53.3217 30.9829 171.9197 213 P 4.1745 0.0000 0.0000 65.2676 31.6724 178.5540 214 A 3.8946 7.9534 119.1613 55.0687 18.0798 178.2683 215 S 4.5078 7.7803 106.2676 57.6092 63.8657 173.8145 216 S 3.7595 7.9066 116.6104 59.9672 61.0002 172.2458 217 T 4.7872 7.7095 108.1660 59.9178 72.2593 173.4366 218 K 5.2640 8.7128 122.7452 54.5763 35.8349 175.8057 219 V 4.4790 8.8080 122.6872 60.0091 34.8085 173.8671 220 D 5.3689 8.7425 123.1849 52.4443 42.9466 175.5871 221 K 4.5080 9.0131 123.0910 54.2260 35.1035 175.3659 222 K 4.5680 8.7088 127.5028 56.0973 33.2532 176.2582 223 I 4.0936 8.7552 129.0967 61.1561 37.9795 175.3450 *226 E 4.8525 8.5636 125.5206 55.4323 30.6325 174.1248 227 P 4.7368 0.0000 0.0000 62.8669 32.0958 176.6924 228 R 4.1830 8.6361 120.0318 56.7209 30.0480 176.1525 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 4 L 8.18 4.20 0.00 1.79 1.70 1.02 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 5 Q 8.41 4.44 0.00 2.16 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.41 6.84 0.00 0.00 0.00 0.00 0.00 2.40 2.39 0.00 6 Q 8.73 4.76 0.00 2.10 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.85 0.00 0.00 0.00 0.00 0.00 2.58 2.31 0.00 7 P 0.00 4.43 0.00 2.25 2.22 0.00 3.96 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.04 0.00 8 G 8.76 3.81 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 0.00 0.00 0.00 9 A 7.60 5.09 1.13 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 0.00 0.00 10 E 8.69 4.50 0.00 1.80 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 2.23 2.39 0.00 11 L 8.66 4.91 0.00 1.67 1.62 1.23 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 12 V 8.57 4.58 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 0.71 0.00 0.00 0.93 0.00 0.00 13 K 8.87 4.99 0.00 1.76 1.73 0.00 1.85 0.00 0.00 1.84 0.00 0.00 3.01 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.53 1.35 7.81 14 P 0.00 4.46 0.00 2.18 2.08 0.00 3.76 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.98 0.00 15 G 9.18 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 16 A 7.80 4.47 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 17 S 8.14 5.26 0.00 3.90 3.81 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 V 8.27 4.33 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 0.50 0.00 0.00 0.88 0.00 0.00 19 K 8.53 4.81 0.00 1.63 1.63 0.00 1.34 0.00 0.00 0.87 0.00 0.00 2.54 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.29 1.34 7.81 20 L 9.07 4.54 0.00 1.22 1.62 0.64 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 21 S 8.67 5.49 0.00 3.96 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 22 C 8.50 4.85 0.00 2.91 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 0.00 0.00 0.00 0.00 *31 S 8.66 3.57 0.00 3.79 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 32 S 6.52 4.73 0.00 3.63 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 33 W 9.10 5.23 0.00 3.32 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 34 I 9.24 4.61 1.84 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.83 0.50 0.00 0.00 35 N 9.01 5.50 0.00 2.60 2.91 0.00 0.00 6.34 7.72 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 36 W 8.72 5.22 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 37 V 9.19 4.90 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 1.43 0.00 0.00 0.93 0.00 0.00 38 K 9.02 4.77 0.00 1.72 1.59 0.00 2.00 0.00 0.00 1.88 0.00 0.00 2.90 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.29 0.87 7.81 39 Q 8.41 5.02 0.00 2.36 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.79 0.00 0.00 0.00 0.00 0.00 2.44 2.49 0.00 40 R 8.80 4.48 0.00 1.87 1.88 0.00 3.27 0.00 0.00 3.38 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.71 0.00 41 P 0.00 4.45 0.00 2.11 2.20 0.00 3.77 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.12 0.00 42 G 9.18 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 0.00 0.00 0.00 43 Q 8.42 4.84 0.00 2.14 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.79 0.00 0.00 0.00 0.00 0.00 2.61 2.46 0.00 44 G 8.33 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 0.00 0.00 0.00 45 L 8.37 5.29 0.00 1.64 1.78 0.91 0.91 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 46 E 9.24 4.95 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 2.42 2.38 0.00 47 W 9.06 4.83 0.00 3.30 3.22 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 48 I 8.29 3.44 1.67 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 -0.30 -0.04 0.56 0.00 0.00 49 G 5.82 2.86 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 50 N 8.51 5.78 0.00 3.16 3.39 0.00 0.00 6.91 8.24 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 51 V 9.26 4.99 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 0.88 0.00 0.00 1.00 0.00 0.00 52 Y 7.90 4.69 0.00 1.43 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 52A P 0.00 4.30 0.00 1.86 1.91 0.00 3.59 0.00 0.00 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 2.00 0.00 *56 S 7.64 4.30 0.00 3.91 3.79 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 57 T 8.45 5.34 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 1.26 0.00 0.00 58 N 9.15 5.13 0.00 3.00 3.00 0.00 0.00 7.18 7.88 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 59 Y 8.82 4.86 0.00 2.89 2.86 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 60 N 9.10 4.86 0.00 2.94 3.03 0.00 0.00 7.31 7.53 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 61 E 9.48 4.08 0.00 2.11 2.06 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 2.52 2.38 0.00 62 K 8.45 3.91 0.00 1.68 1.48 0.00 1.72 0.00 0.00 1.60 0.00 0.00 3.04 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.42 1.43 7.81 63 F 8.54 4.66 0.00 3.06 3.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 K 7.52 3.68 0.00 1.65 1.60 0.00 1.71 0.00 0.00 1.73 0.00 0.00 3.05 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.36 1.58 7.81 65 N 8.41 4.52 0.00 2.78 2.92 0.00 0.00 6.89 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 66 K 7.94 3.85 0.00 1.84 2.09 0.00 1.60 0.00 0.00 1.94 0.00 0.00 3.04 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.73 1.66 7.81 67 A 7.79 5.29 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 68 T 8.58 4.72 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 1.26 0.00 0.00 69 L 9.07 5.15 0.00 1.38 1.62 0.60 0.58 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 70 T 9.10 4.94 4.35 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 0.00 0.00 0.00 1.26 0.00 0.00 71 V 8.30 4.85 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 0.70 0.00 0.00 0.95 0.00 0.00 72 D 9.19 4.85 0.00 3.01 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 73 T 8.65 3.77 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 1.18 0.00 0.00 74 S 8.02 4.10 0.00 4.08 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 75 S 8.95 4.38 0.00 3.98 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 76 S 7.89 3.60 0.00 3.89 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 T 7.13 4.53 4.09 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 1.03 0.00 0.00 78 A 8.28 4.90 1.30 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 79 Y 9.36 5.52 0.00 2.82 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 80 M 8.50 4.63 0.00 0.51 0.57 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.83 0.00 81 Q 8.94 4.74 0.00 2.03 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.55 6.57 0.00 0.00 0.00 0.00 0.00 2.19 2.36 0.00 82 L 8.86 5.15 0.00 1.39 1.42 0.12 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 82A S 8.72 4.87 0.00 3.79 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 82B S 8.28 3.87 0.00 4.06 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 82C L 8.22 4.42 0.00 1.78 1.65 0.91 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 83 T 8.80 4.91 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 84 S 8.76 4.20 0.00 3.95 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 85 D 8.19 4.44 0.00 2.70 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 86 D 8.22 4.70 0.00 2.92 2.84 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 87 S 8.56 4.81 0.00 3.89 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 88 A 8.07 4.15 0.99 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 0.00 0.00 89 F 8.72 4.56 0.00 2.73 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 90 Y 9.11 5.07 0.00 3.00 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 91 Y 9.45 5.50 0.00 2.97 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 92 C 8.89 4.84 0.00 1.86 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 0.00 0.00 0.00 0.00 93 V 8.33 4.72 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 0.00 0.00 0.05 0.00 0.00 0.34 0.00 0.00 94 R 8.57 4.64 0.00 1.83 1.82 0.00 3.23 0.00 0.00 3.18 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.62 0.00 95 K 9.02 4.60 0.00 1.86 1.78 0.00 1.73 0.00 0.00 1.65 0.00 0.00 2.79 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.31 1.49 7.81 96 D 9.67 4.09 0.00 2.75 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 0.00 0.00 0.00 0.00 *100 F 7.53 3.54 0.00 2.38 2.50 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.55 0.00 2.03 2.05 0.00 3.79 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 2.18 2.05 0.00 102 Y 8.84 4.47 0.00 3.04 2.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 W 8.74 4.34 0.00 2.96 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 0.00 104 G 8.60 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 0.00 105 Q 8.83 4.23 0.00 2.27 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.53 0.00 0.00 0.00 0.00 0.00 2.44 2.46 0.00 106 G 8.48 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 0.00 0.00 0.00 0.00 107 T 8.85 4.96 4.40 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 1.30 0.00 0.00 108 L 8.56 4.36 0.00 1.30 1.39 -0.12 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 109 V 8.69 4.39 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 0.95 0.00 0.00 1.01 0.00 0.00 110 T 8.80 4.73 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 1.23 0.00 0.00 111 V 8.65 4.59 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 0.74 0.00 0.00 0.99 0.00 0.00 112 S 8.81 4.70 0.00 4.10 3.88 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 0.00 113 A 8.77 4.40 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 A 7.88 4.08 0.61 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 0.00 115 K 7.94 4.58 0.00 1.90 1.81 0.00 1.60 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.33 1.45 7.81 116 T 8.42 4.48 4.35 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 0.00 0.00 0.00 1.28 0.00 0.00 117 T 10.04 4.71 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 1.36 0.00 0.00 118 A 8.94 4.46 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 119 P 0.00 4.79 0.00 1.95 1.91 0.00 3.67 0.00 0.00 3.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.69 0.00 120 S 8.95 4.50 0.00 3.69 3.02 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 0.00 121 V 7.97 4.39 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 0.69 0.00 0.00 0.77 0.00 0.00 122 Y 8.89 5.07 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 0.00 123 P 0.00 4.88 0.00 2.19 2.14 0.00 3.91 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 2.09 2.10 0.00 124 L 8.95 4.81 0.00 1.69 1.63 0.99 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 125 A 8.55 4.83 1.35 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 0.00 0.00 0.00 0.00 0.00 0.00 126 P 0.00 4.56 0.00 2.15 2.00 0.00 3.81 0.00 0.00 3.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.02 0.00 *136 S 8.65 4.64 0.00 3.93 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 0.00 137 S 8.05 5.38 0.00 3.80 3.81 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 0.00 138 V 8.93 4.54 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 0.88 0.00 0.00 0.93 0.00 0.00 139 T 8.46 4.85 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 1.12 0.00 0.00 140 L 8.41 4.44 0.00 0.97 1.14 -0.61 -0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 141 G 9.03 4.63 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 0.00 0.00 0.00 142 C 9.56 5.44 0.00 3.08 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 0.00 143 L 9.34 5.02 0.00 1.89 1.72 1.08 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 144 V 9.51 4.67 2.22 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 0.56 0.00 0.00 0.88 0.00 0.00 145 K 9.05 4.78 0.00 2.04 1.80 0.00 1.99 0.00 0.00 1.86 0.00 0.00 2.92 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.46 1.48 7.81 146 G 7.99 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 0.00 147 Y 7.56 5.25 0.00 2.93 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 0.00 148 F 9.14 4.90 0.00 3.15 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 0.00 149 P 0.00 3.87 0.00 1.64 1.25 0.00 3.84 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 1.78 1.89 0.00 150 E 8.01 4.16 0.00 1.62 1.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.48 0.00 151 P 0.00 4.97 0.00 2.19 2.10 0.00 3.66 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 2.03 0.00 152 V 7.90 4.54 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 -0.18 0.00 0.00 0.68 0.00 0.00 153 T 8.59 4.41 4.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 154 L 8.46 5.60 0.00 1.59 1.43 0.80 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 *157 T 8.07 4.88 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 1.20 0.00 0.00 158 W 8.09 5.47 0.00 3.28 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 *162 N 8.46 4.73 0.00 2.96 2.94 0.00 0.00 7.21 7.67 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 0.00 163 S 10.52 3.52 0.00 3.94 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 0.00 164 G 8.47 4.11 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 0.00 0.00 0.00 165 S 7.88 4.25 0.00 4.00 3.99 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 0.00 166 L 7.35 4.77 0.00 1.72 1.57 0.97 0.79 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 0.00 167 S 8.51 4.53 0.00 3.91 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 0.00 168 S 8.42 4.18 0.00 3.83 3.95 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 0.00 169 G 7.63 4.11 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 0.00 0.00 0.00 *171 V 7.79 4.35 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 0.92 0.00 0.00 0.93 0.00 0.00 172 H 9.25 4.73 0.00 2.90 2.48 0.00 5.61 0.00 0.00 0.00 0.00 6.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173 T 8.22 4.62 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 1.26 0.00 0.00 174 F 8.55 4.45 0.00 3.04 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 0.00 175 P 0.00 4.25 0.00 2.13 2.09 0.00 3.82 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.15 0.00 176 A 8.62 4.63 1.47 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 0.00 0.00 177 V 8.65 4.55 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 0.97 0.00 0.00 1.05 0.00 0.00 178 L 8.56 4.45 0.00 1.17 1.39 0.23 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 179 Q 8.70 4.08 0.00 2.15 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.10 0.00 0.00 0.00 0.00 0.00 2.24 2.35 0.00 180 S 8.20 3.52 0.00 4.01 3.87 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 0.00 0.00 0.00 *183 D 7.82 4.36 0.00 2.68 2.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 184 L 7.32 4.90 0.00 1.47 1.49 0.94 0.96 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 0.00 185 Y 8.85 4.79 0.00 1.52 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 0.00 0.00 0.00 186 T 8.82 5.33 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 1.31 0.00 0.00 187 L 9.56 5.28 0.00 1.90 1.66 1.05 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 188 S 8.86 5.46 0.00 4.01 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 0.00 189 S 9.24 5.47 0.00 4.08 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 0.00 190 S 9.95 5.42 0.00 3.88 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 0.00 191 V 8.37 4.47 0.67 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 -0.74 0.00 0.00 0.38 0.00 0.00 192 T 8.65 4.91 4.11 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 1.18 0.00 0.00 193 V 8.41 4.42 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 0.60 0.00 0.00 0.92 0.00 0.00 194 T 8.66 4.22 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 195 S 8.75 4.08 0.00 4.07 4.32 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 0.00 196 S 7.71 4.21 0.00 3.86 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 *198 T 7.69 4.65 4.40 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 1.28 0.00 0.00 199 W 7.82 5.17 0.00 3.19 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 0.00 200 P 0.00 2.97 0.00 1.60 0.50 0.00 3.46 0.00 0.00 2.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.36 0.00 *202 S 7.94 4.31 0.00 3.98 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 0.00 203 Q 7.89 4.64 0.00 2.19 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.87 6.74 0.00 0.00 0.00 0.00 0.00 2.30 2.28 0.00 204 S 8.66 4.37 0.00 3.95 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 0.00 205 I 8.78 5.08 2.04 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.44 1.14 0.00 0.00 206 T 9.10 5.37 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 1.30 0.00 0.00 *208 C 8.65 3.85 0.00 2.25 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 0.00 209 N 8.33 5.46 0.00 2.54 2.63 0.00 0.00 6.08 7.27 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 0.00 210 V 8.91 4.54 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 0.72 0.00 0.00 0.73 0.00 0.00 211 A 8.70 4.79 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 0.00 212 H 8.91 5.01 0.00 3.07 3.20 0.00 5.63 0.00 0.00 0.00 0.00 6.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 213 P 0.00 4.17 0.00 2.16 2.08 0.00 3.75 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.08 0.00 214 A 7.95 3.89 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 0.00 0.00 0.00 0.00 0.00 0.00 215 S 7.78 4.51 0.00 4.05 4.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 216 S 7.91 3.76 0.00 4.00 3.95 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 0.00 217 T 7.71 4.79 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 1.26 0.00 0.00 218 K 8.71 5.26 0.00 1.58 1.66 0.00 1.67 0.00 0.00 1.72 0.00 0.00 2.78 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.29 1.37 7.81 219 V 8.81 4.48 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 0.71 0.00 0.00 0.86 0.00 0.00 220 D 8.74 5.37 0.00 2.53 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 0.00 221 K 9.01 4.51 0.00 1.54 1.72 0.00 1.67 0.00 0.00 1.54 0.00 0.00 3.01 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.27 1.55 7.81 222 K 8.71 4.57 0.00 1.84 1.78 0.00 1.83 0.00 0.00 1.80 0.00 0.00 3.08 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.67 1.61 7.81 223 I 8.76 4.09 2.04 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.40 0.93 0.00 0.00 *226 E 8.56 4.85 0.00 2.10 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 2.48 2.32 0.00 227 P 0.00 4.74 0.00 1.99 1.89 0.00 3.62 0.00 0.00 3.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.28 0.00 228 R 8.64 4.18 0.00 1.98 1.86 0.00 3.42 0.00 0.00 3.30 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.69 0.00 * Residues marked with a * may have inaccurate shift predictions.