NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 56 C 4.4794 8.3444 117.6123 56.9100 29.9556 172.7267 57 S 4.0262 8.2844 111.7157 57.8214 62.2065 172.4561 58 P 4.4768 0.0000 0.0000 64.5104 32.5208 176.4947 59 G 4.1541 8.0722 107.5966 46.2622 0.0000 172.3562 60 I 4.9238 7.2934 120.6929 59.7112 38.9628 175.0033 61 W 5.1862 9.2218 125.8619 54.8376 33.7008 173.8876 62 Q 5.2666 9.2714 123.5076 54.3458 31.2063 173.9380 63 L 5.3558 9.3427 128.3761 53.5766 44.8964 175.0253 64 D 4.8167 8.9491 124.3763 53.2707 46.1085 173.6660 65 C 5.3592 8.5234 116.7875 58.3239 31.1864 173.3699 66 T 4.7733 8.7822 111.4465 60.2592 72.4062 172.0020 67 H 5.3278 8.3921 117.4359 54.1728 32.3559 173.6854 68 L 4.1771 8.9855 120.9806 55.5139 45.3288 174.7529 69 E 3.8962 9.9020 124.8140 57.5151 26.8570 175.4793 70 G 3.9373 8.5918 104.8206 45.5015 0.0000 173.7403 71 K 4.6363 8.1458 118.7661 54.2730 35.4842 174.6332 72 V 4.6976 7.7124 119.6529 61.3039 33.8855 174.3479 73 I 4.8384 8.4901 128.6001 59.4239 39.8945 174.2744 74 L 4.5570 8.7835 130.7699 54.0779 43.5363 175.3834 75 V 4.7731 8.9095 126.3626 61.0434 34.3601 173.7266 76 A 5.4695 9.3892 130.2253 50.2429 21.8214 175.1384 77 V 4.7602 9.1261 122.1763 61.1591 34.8134 174.1039 78 H 3.1468 8.7950 128.6917 55.2286 29.5476 175.4087 79 V 3.4478 7.6406 126.9822 66.1652 30.9496 177.5785 80 A 4.0143 7.6420 121.2764 54.1039 18.4122 177.9693 81 S 4.4390 7.9044 108.2483 57.6864 64.6608 175.3897 82 G 3.9122 8.2512 108.8477 44.9689 0.0000 172.8898 83 Y 4.3830 7.7386 121.8990 57.7315 39.7514 174.7904 84 I 5.1805 8.2475 126.3457 59.5491 40.9781 174.7743 85 E 4.8960 9.3189 123.0365 54.7698 33.1672 174.8325 86 A 5.7885 8.6575 123.9574 49.6619 22.9556 174.6992 87 E 4.8178 8.6218 116.6586 54.9411 34.6160 174.6099 88 V 4.6528 8.4988 122.8116 61.5946 32.2927 174.9692 89 I 4.6506 8.6546 122.3780 58.3909 40.0179 175.1879 90 P 4.0978 0.0000 0.0000 65.6467 31.4065 176.2921 91 A 4.6128 7.3438 118.1554 50.4078 21.8338 176.4294 92 E 4.2732 8.5502 120.2353 56.0421 27.8282 177.0209 93 T 4.8583 7.8260 113.5168 58.7539 73.4255 174.9186 94 G 3.7084 8.5586 108.0697 48.1742 0.0000 175.7641 95 Q 4.0678 8.1398 120.0128 58.9319 28.7521 178.9408 96 E 4.1321 8.1776 119.0669 59.7103 29.4533 179.5430 97 T 3.9656 8.1322 115.6170 66.5859 68.4934 176.6093 98 A 4.0735 8.4265 122.9624 55.3829 18.4507 179.0553 99 Y 4.0550 8.2633 118.0990 60.7607 38.7770 178.0810 100 F 3.8842 8.6198 121.6860 61.0905 39.4492 177.0348 101 L 4.0381 8.4966 119.0815 57.8639 41.2599 179.2649 102 L 3.9196 7.7787 118.7921 57.9671 42.3426 178.8839 103 K 3.8029 7.6031 118.2831 59.2199 32.0020 178.7381 104 L 3.6186 7.6105 120.5382 58.2994 41.7254 179.0037 105 A 4.2681 7.9407 118.5500 54.2144 18.3581 178.9294 106 G 3.7055 7.6117 102.5696 45.8916 0.0000 174.6924 107 R 4.0783 7.4819 118.4826 56.5132 31.5649 176.3462 108 W 5.0650 7.7258 115.2225 53.8626 32.4196 174.2255 109 P 4.4505 0.0000 0.0000 62.4491 29.2115 174.1683 110 V 4.2572 8.1619 127.3752 63.3684 31.8283 176.0604 111 K 4.5728 9.2344 131.9494 57.0899 33.1563 173.3689 112 T 5.8729 7.8181 109.8634 58.6337 72.8091 172.5544 113 V 5.1440 8.3693 122.0265 61.5754 34.9787 173.5954 114 H 5.4043 9.7044 127.1636 54.9478 33.0231 172.3029 115 T 4.9185 7.7597 115.8809 60.9713 70.4701 173.1116 116 D 4.6037 9.2268 123.8382 54.3818 41.4902 177.0662 117 N 4.7496 7.6361 118.2940 50.6157 39.2606 174.3286 118 G 3.6453 8.3181 113.4588 47.9803 0.0000 173.4130 119 S 4.2592 7.9334 113.7019 60.4439 63.2966 175.8984 120 N 4.2099 8.0556 119.0379 55.8640 38.2540 175.6422 121 F 5.1700 7.8619 115.0057 57.6081 39.0111 176.5269 122 T 4.3966 7.6359 111.6828 62.2812 69.6111 175.9955 123 S 4.3968 7.8414 118.0549 58.2364 65.0937 174.8404 124 T 3.8738 8.4769 119.8637 67.3208 68.3408 176.7031 125 T 3.8879 7.9483 116.8309 66.7680 68.5564 176.6123 126 V 3.6559 7.8922 119.8584 66.1141 31.6549 178.2659 127 K 4.0676 8.3499 117.9181 59.2752 31.7199 179.2604 128 A 4.2769 8.4625 121.3929 54.9511 18.2811 179.5318 129 A 4.0858 8.1190 119.1794 55.6143 18.4265 179.6878 130 C 4.1067 8.2920 115.2587 62.5686 28.1495 175.8240 131 W 4.3194 8.8313 130.3907 60.5884 30.0309 177.8094 132 W 2.9946 8.5212 126.4535 59.8471 30.2991 177.0393 133 A 4.2135 8.2409 117.8137 51.7991 18.3033 177.5348 134 G 3.6427 7.4176 104.8668 46.1335 0.0000 173.4991 135 I 4.5339 7.8142 120.0002 59.6933 38.6341 175.6355 136 K 4.7608 8.6682 124.7429 54.3894 35.7869 175.0580 137 Q 4.5447 8.5666 123.5090 55.7524 30.1501 174.8732 138 E 4.2357 9.2273 128.5105 56.0003 30.5428 176.7185 139 F 4.8060 9.1907 124.6311 57.1253 39.6086 175.0647 140 G 4.4635 8.1228 109.2889 42.6442 0.0000 172.4489 *149 A 4.2536 8.4606 122.0084 52.6933 20.2804 179.5136 150 V 3.5591 7.6118 115.4996 67.0164 31.4788 181.7771 151 I 3.9120 7.7276 118.8922 64.5225 37.0622 178.4239 152 E 4.0607 8.2436 121.1964 59.9109 29.3258 179.9929 153 S 4.0901 8.4426 119.1140 63.6721 62.2520 178.3931 154 M 4.2290 8.1621 121.7817 58.2683 31.9967 178.5737 155 N 4.5013 8.2115 118.6304 56.8079 38.2462 178.0150 156 K 3.8790 7.9153 125.1244 60.0570 31.6074 180.1365 157 E 4.1519 8.5443 121.1528 59.1142 29.3282 178.8308 158 L 3.9232 7.9474 120.2093 58.0536 42.1416 178.8779 159 K 3.9176 7.9927 119.1453 59.1213 32.1012 178.4494 160 K 3.8955 7.7410 119.0495 59.6949 32.2068 178.8251 161 I 3.9943 7.4213 121.3002 63.8355 37.0871 178.3528 162 I 3.8057 8.1568 121.1128 64.4093 36.7491 178.4980 163 G 3.7041 8.1761 105.3736 48.1903 0.0000 175.4010 164 Q 4.1755 8.6129 121.1128 57.8970 28.6472 178.2620 165 V 4.2469 7.8191 111.1063 60.7994 31.5905 177.4804 166 R 3.6715 7.8772 122.9359 60.3372 29.8969 178.0893 167 D 4.6697 7.9776 112.7032 54.0251 39.9625 178.1898 168 Q 4.3150 8.7061 119.7013 57.3965 29.5286 175.1615 169 A 4.7209 7.5018 120.3746 51.3872 22.3852 176.7212 170 E 4.0426 8.9159 117.3400 59.0274 30.3987 178.0500 171 H 4.9468 7.6694 116.9427 53.8391 31.6739 175.9055 172 L 3.9891 8.4991 125.6581 58.3318 42.0794 179.5659 173 K 3.9608 8.1073 118.1497 60.3104 32.2931 179.0320 174 T 3.8224 7.9392 116.0503 66.4292 68.4648 175.9970 175 A 3.9716 7.8015 122.1113 55.3475 18.2141 179.7700 176 V 3.5412 8.0040 116.5135 66.4872 31.6524 178.4153 177 Q 4.0756 8.0672 117.2704 59.1067 28.4999 178.5214 178 M 4.0342 8.4870 120.0776 58.2599 31.9125 178.6398 179 A 4.1492 8.2506 121.2110 54.8225 18.4744 179.7926 180 V 3.5310 8.2003 117.2772 66.1031 31.6484 177.9332 181 F 4.1074 8.3925 120.2212 61.4383 39.1381 176.9673 182 I 3.8675 8.4943 119.7223 64.7759 36.7566 177.6840 183 H 4.0904 8.6196 117.6961 59.6946 29.9474 176.8133 184 N 4.4168 8.5924 118.1632 55.6324 38.1033 177.0191 185 K 4.3007 7.5495 117.9011 56.1484 32.7831 176.5573 186 K 3.9042 7.4434 121.2715 56.3446 32.0457 176.0167 187 R 4.4742 8.4602 126.3731 56.1856 30.7734 177.5842 188 K 4.6692 8.3996 122.8434 54.4105 32.6828 176.0905 189 G 3.7545 7.3114 118.6714 44.3942 0.0000 173.2514 *193 G 3.5925 8.6736 115.0856 46.3068 0.0000 170.6838 194 Y 4.9349 8.2318 124.2635 55.7063 41.2779 175.6160 195 S 5.4626 9.6717 116.2459 57.0624 64.7457 175.3234 196 A 4.1103 8.7064 121.8562 55.2641 17.8932 180.1439 197 G 3.7176 8.4702 104.4405 47.9106 0.0000 175.8183 198 E 4.0077 8.3837 120.9462 59.3874 29.5009 179.7381 199 R 3.8365 8.1532 118.0964 59.1175 30.0092 178.9782 200 I 3.4252 7.9971 118.8632 64.1030 37.8755 178.4447 201 V 3.6978 7.4986 113.3960 64.1609 31.2736 178.0524 202 D 4.2176 7.9690 117.8215 57.3816 41.1253 178.2678 203 I 3.6434 7.9562 120.5725 64.5848 37.1398 178.5920 204 I 3.7360 8.0492 120.5228 64.2309 36.6276 178.3756 205 A 3.9829 8.6184 121.9359 55.5583 18.0180 179.7794 206 T 3.8064 8.0319 113.4184 66.8858 68.5867 176.0973 207 D 4.4545 7.8996 118.8150 57.1140 41.2277 178.1504 208 I 3.8628 7.3966 119.8379 64.0971 38.2525 177.6364 209 Q 4.1753 7.6080 120.0553 56.2460 27.5437 177.0642 210 T 3.7036 7.6582 113.9044 61.2941 68.3463 173.7181 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 56 C 8.34 4.48 0.00 2.75 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 57 S 8.28 4.03 0.00 3.92 3.77 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 58 P 0.00 4.48 0.00 2.26 2.17 0.00 3.81 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 1.96 0.00 59 G 8.07 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 60 I 7.29 4.92 1.81 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 1.42 1.46 0.93 0.00 0.00 61 W 9.22 5.19 0.00 3.31 3.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 Q 9.27 5.27 0.00 2.20 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.76 0.00 0.00 0.00 0.00 0.00 2.28 2.44 0.00 63 L 9.34 5.36 0.00 1.78 1.74 0.70 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 64 D 8.95 4.82 0.00 2.56 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 0.00 0.00 0.00 65 C 8.52 5.36 0.00 2.73 2.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 T 8.78 4.77 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 1.19 0.00 0.00 67 H 8.39 5.33 0.00 2.98 3.23 0.00 5.93 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 L 8.99 4.18 0.00 1.69 1.46 0.93 1.03 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 69 E 9.90 3.90 0.00 2.17 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 0.00 2.22 2.29 0.00 70 G 8.59 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 0.00 0.00 0.00 71 K 8.15 4.64 0.00 1.78 1.69 0.00 1.64 0.00 0.00 1.58 0.00 0.00 2.89 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.34 1.33 7.81 72 V 7.71 4.70 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 0.93 0.00 0.00 0.93 0.00 0.00 73 I 8.49 4.84 1.83 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 1.11 0.65 0.90 0.00 0.00 74 L 8.78 4.56 0.00 1.54 1.17 0.54 0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 75 V 8.91 4.77 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 0.91 0.00 0.00 0.90 0.00 0.00 76 A 9.39 5.47 1.70 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 77 V 9.13 4.76 2.09 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 0.96 0.00 0.00 0.95 0.00 0.00 78 H 8.80 3.15 0.00 1.40 2.54 0.00 5.66 0.00 0.00 0.00 0.00 6.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 V 7.64 3.45 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 0.68 0.00 0.00 0.86 0.00 0.00 80 A 7.64 4.01 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 0.00 0.00 0.00 0.00 0.00 0.00 81 S 7.90 4.44 0.00 3.90 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 82 G 8.25 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 0.00 0.00 0.00 83 Y 7.74 4.38 0.00 2.99 2.54 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 84 I 8.25 5.18 1.76 0.00 0.00 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.89 0.90 0.00 0.00 85 E 9.32 4.90 0.00 2.21 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 2.55 2.64 0.00 86 A 8.66 5.79 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 87 E 8.62 4.82 0.00 2.05 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 2.67 2.54 0.00 88 V 8.50 4.65 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 0.83 0.00 0.00 0.95 0.00 0.00 89 I 8.65 4.65 1.91 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 1.39 0.76 0.99 0.00 0.00 90 P 0.00 4.10 0.00 2.20 2.22 0.00 3.86 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 1.95 0.00 91 A 7.34 4.61 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 E 8.55 4.27 0.00 1.99 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 2.29 2.27 0.00 93 T 7.83 4.86 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 1.22 0.00 0.00 94 G 8.56 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 Q 8.14 4.07 0.00 2.17 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.86 0.00 0.00 0.00 0.00 0.00 2.45 2.54 0.00 96 E 8.18 4.13 0.00 2.20 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 2.36 2.70 0.00 97 T 8.13 3.97 4.49 0.00 0.00 0.00 0.00 0.00 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 98 A 8.43 4.07 1.50 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 0.00 0.00 99 Y 8.26 4.05 0.00 3.17 3.24 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 0.00 100 F 8.62 3.88 0.00 3.28 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 0.00 101 L 8.50 4.04 0.00 1.93 1.72 0.87 0.40 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 0.00 102 L 7.78 3.92 0.00 1.59 1.79 0.86 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 103 K 7.60 3.80 0.00 1.50 1.46 0.00 1.46 0.00 0.00 1.30 0.00 0.00 2.33 0.00 0.00 2.57 0.00 0.00 0.00 0.00 1.01 0.70 7.81 104 L 7.61 3.62 0.00 1.40 1.59 0.39 0.56 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 0.00 105 A 7.94 4.27 1.27 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 0.00 0.00 0.00 106 G 7.61 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 R 7.48 4.08 0.00 1.67 1.48 0.00 3.06 0.00 0.00 3.10 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 1.47 0.00 108 W 7.73 5.06 0.00 3.15 3.27 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 0.00 109 P 0.00 4.45 0.00 2.32 2.29 0.00 4.14 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.08 0.00 110 V 8.16 4.26 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 0.78 0.00 0.00 0.63 0.00 0.00 111 K 9.23 4.57 0.00 1.47 1.78 0.00 1.80 0.00 0.00 1.70 0.00 0.00 2.79 0.00 0.00 2.64 0.00 0.00 0.00 0.00 1.32 1.25 7.81 112 T 7.82 5.87 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 1.32 0.00 0.00 113 V 8.37 5.14 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 1.25 0.00 0.00 0.99 0.00 0.00 114 H 9.70 5.40 0.00 3.19 3.25 0.00 5.61 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 T 7.76 4.92 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 0.71 0.00 0.00 116 D 9.23 4.60 0.00 2.75 2.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 N 7.64 4.75 0.00 2.62 2.48 0.00 0.00 7.00 7.58 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 0.00 118 G 8.32 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 119 S 7.93 4.26 0.00 4.00 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 0.00 120 N 8.06 4.21 0.00 2.21 2.67 0.00 0.00 6.89 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 0.00 121 F 7.86 5.17 0.00 3.02 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 0.00 122 T 7.64 4.40 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 1.26 0.00 0.00 123 S 7.84 4.40 0.00 4.11 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 0.00 124 T 8.48 3.87 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 1.20 0.00 0.00 125 T 7.95 3.89 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 1.26 0.00 0.00 126 V 7.89 3.66 2.19 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 1.09 0.00 0.00 1.12 0.00 0.00 127 K 8.35 4.07 0.00 2.02 1.91 0.00 1.76 0.00 0.00 1.69 0.00 0.00 3.01 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.52 1.61 7.81 128 A 8.46 4.28 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 129 A 8.12 4.09 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 C 8.29 4.11 0.00 3.03 3.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 131 W 8.83 4.32 0.00 3.39 3.58 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 0.00 132 W 8.52 2.99 0.00 3.47 3.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 133 A 8.24 4.21 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 0.00 134 G 7.42 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 135 I 7.81 4.53 1.85 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.62 0.87 0.00 0.00 136 K 8.67 4.76 0.00 1.73 1.79 0.00 1.77 0.00 0.00 1.65 0.00 0.00 2.84 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.39 1.55 7.81 137 Q 8.57 4.54 0.00 2.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.68 6.97 0.00 0.00 0.00 0.00 0.00 1.68 2.25 0.00 138 E 9.23 4.24 0.00 2.17 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 2.33 2.36 0.00 139 F 9.19 4.81 0.00 3.10 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 0.00 140 G 8.12 4.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *149 A 8.46 4.25 1.32 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 0.00 0.00 150 V 7.61 3.56 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 0.85 0.00 0.00 0.93 0.00 0.00 151 I 7.73 3.91 1.87 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 1.64 0.87 0.92 0.00 0.00 152 E 8.24 4.06 0.00 2.13 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 2.39 2.37 0.00 153 S 8.44 4.09 0.00 3.71 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 0.00 154 M 8.16 4.23 0.00 1.84 2.13 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.94 0.00 155 N 8.21 4.50 0.00 2.97 2.84 0.00 0.00 7.14 7.48 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 0.00 156 K 7.92 3.88 0.00 1.78 1.84 0.00 1.83 0.00 0.00 1.57 0.00 0.00 2.83 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.38 1.34 7.81 157 E 8.54 4.15 0.00 2.23 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 2.34 2.36 0.00 158 L 7.95 3.92 0.00 1.87 1.73 0.91 0.42 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 0.00 159 K 7.99 3.92 0.00 1.90 1.79 0.00 1.66 0.00 0.00 1.74 0.00 0.00 2.98 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.51 1.56 7.81 160 K 7.74 3.90 0.00 1.90 1.95 0.00 1.70 0.00 0.00 1.66 0.00 0.00 2.95 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.45 1.49 7.81 161 I 7.42 3.99 1.90 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.21 0.95 0.00 0.00 162 I 8.16 3.81 1.99 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 1.47 1.11 0.92 0.00 0.00 163 G 8.18 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 0.00 164 Q 8.61 4.18 0.00 2.21 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.65 0.00 0.00 0.00 0.00 0.00 2.39 2.55 0.00 165 V 7.82 4.25 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 0.88 0.00 0.00 1.03 0.00 0.00 166 R 7.88 3.67 0.00 2.07 1.95 0.00 3.14 0.00 0.00 3.21 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.65 0.00 167 D 7.98 4.67 0.00 2.74 2.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 168 Q 8.71 4.31 0.00 2.05 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.63 0.00 0.00 0.00 0.00 0.00 2.31 2.28 0.00 169 A 7.50 4.72 1.19 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 0.00 0.00 170 E 8.92 4.04 0.00 2.00 1.88 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 2.23 1.90 0.00 171 H 7.67 4.95 0.00 3.17 3.22 0.00 5.60 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 172 L 8.50 3.99 0.00 1.93 1.69 0.93 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 173 K 8.11 3.96 0.00 2.05 2.08 0.00 1.55 0.00 0.00 1.78 0.00 0.00 2.97 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.52 1.56 7.81 174 T 7.94 3.82 4.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 175 A 7.80 3.97 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 0.00 176 V 8.00 3.54 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 1.15 0.00 0.00 1.02 0.00 0.00 177 Q 8.07 4.08 0.00 2.30 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.57 0.00 0.00 0.00 0.00 0.00 2.65 2.59 0.00 178 M 8.49 4.03 0.00 2.00 2.25 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.76 2.44 0.00 179 A 8.25 4.15 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 0.00 180 V 8.20 3.53 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 1.07 0.00 0.00 0.99 0.00 0.00 181 F 8.39 4.11 0.00 3.24 3.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 182 I 8.49 3.87 1.98 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.98 0.98 0.00 0.00 183 H 8.62 4.09 0.00 3.14 3.52 0.00 5.76 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 184 N 8.59 4.42 0.00 2.70 2.90 0.00 0.00 7.06 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 0.00 185 K 7.55 4.30 0.00 1.67 1.74 0.00 0.62 0.00 0.00 1.27 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.20 1.11 7.81 186 K 7.44 3.90 0.00 1.90 1.67 0.00 1.63 0.00 0.00 1.65 0.00 0.00 2.89 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.42 1.41 7.81 187 R 8.46 4.47 0.00 1.79 1.94 0.00 3.11 0.00 0.00 3.35 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.62 0.00 188 K 8.40 4.67 0.00 1.72 1.72 0.00 1.64 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.34 1.43 7.81 189 G 7.31 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 *193 G 8.67 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 0.00 0.00 0.00 0.00 194 Y 8.23 4.93 0.00 2.93 2.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 195 S 9.67 5.46 0.00 4.10 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 0.00 196 A 8.71 4.11 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 0.00 197 G 8.47 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 0.00 198 E 8.38 4.01 0.00 2.32 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 2.41 2.42 0.00 199 R 8.15 3.84 0.00 1.93 1.92 0.00 3.12 0.00 0.00 3.13 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.92 0.00 200 I 8.00 3.43 1.38 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 0.67 0.78 0.18 0.00 0.00 201 V 7.50 3.70 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 0.93 0.00 0.00 0.99 0.00 0.00 202 D 7.97 4.22 0.00 2.67 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 0.00 203 I 7.96 3.64 1.97 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.66 0.89 0.00 0.00 204 I 8.05 3.74 2.00 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.21 1.03 0.00 0.00 205 A 8.62 3.98 1.32 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 0.00 0.00 206 T 8.03 3.81 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 1.19 0.00 0.00 207 D 7.90 4.45 0.00 2.81 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 0.00 208 I 7.40 3.86 2.02 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 0.88 0.91 0.00 0.00 209 Q 7.61 4.18 0.00 2.04 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.04 5.83 0.00 0.00 0.00 0.00 0.00 2.38 2.29 0.00 210 T 7.66 3.70 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.