NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 N 4.6270 8.2833 119.1930 52.9858 39.3606 174.5116 3 K 3.4494 8.5127 126.0720 58.7683 31.9265 175.3355 4 E 4.0241 9.1057 120.3326 59.5132 29.7773 178.4007 5 E 4.0350 8.7136 118.4712 59.4236 29.5315 179.1415 6 I 3.8783 8.1336 120.1175 64.6242 37.1512 178.4588 7 I 3.8103 8.2863 120.6111 64.3863 36.9004 178.1547 8 L 3.9700 7.7919 121.0126 58.1640 41.8221 178.9665 9 S 4.2059 8.6064 112.9829 61.4999 62.2448 175.8408 10 A 3.9336 8.4750 122.3616 55.0214 18.1465 179.1235 11 K 3.9306 8.0828 117.1522 59.9950 32.4808 178.6292 12 N 4.4324 8.4595 116.6629 55.5824 38.0791 176.7600 13 W 4.6119 7.9212 127.2726 58.3331 30.6649 176.0849 *15 H 3.4361 8.0839 118.4912 55.2537 30.6285 175.0041 16 S 4.3771 7.2715 112.0912 58.5721 63.0975 174.3326 17 H 4.6174 7.9033 115.6929 57.3939 32.3875 172.0334 18 F 4.6874 7.5797 115.7747 57.5498 43.4442 173.6811 *25 H 4.8577 8.1404 121.7426 56.9659 30.3481 177.5269 26 D 4.8174 8.4614 120.6375 53.1935 42.5584 175.6206 27 W 4.2170 9.0133 127.7457 61.4117 30.5170 178.6307 28 S 3.8501 8.2595 114.7286 61.9628 62.1784 176.1627 29 H 4.0544 7.8096 120.0846 59.3482 29.6030 176.9816 30 I 3.4380 7.3921 120.8916 64.5150 36.8739 177.9677 31 K 3.5193 6.8004 119.8510 59.5291 31.6113 179.1026 32 R 3.7952 7.3217 118.4186 59.1909 30.0508 179.0851 33 V 3.1563 7.6461 117.8863 65.3009 31.2508 177.9541 34 W 4.0290 8.2189 128.6323 60.3829 30.6238 178.0699 35 K 3.1366 8.1825 118.6943 59.0848 31.4591 179.1189 36 L 3.8038 8.3917 121.3979 58.1772 42.0528 179.2625 37 S 4.0634 8.0600 114.2598 61.0792 62.7449 176.5158 38 K 3.7072 7.9203 122.3583 59.1555 31.5578 178.5794 39 E 3.8170 7.7664 118.0056 59.5077 29.7972 178.5652 40 I 3.8062 7.7167 119.8003 64.4435 37.0780 178.4339 41 Q 4.0200 8.0760 118.7288 59.0887 28.2145 178.2722 42 S 4.2196 7.5947 114.3448 59.9547 62.9539 174.7409 43 K 4.5666 7.6687 118.5083 55.7241 34.1018 176.2816 44 E 4.3816 8.0627 116.2508 54.9571 30.8396 177.1010 45 G 3.7178 8.7275 109.3093 43.7913 0.0000 172.2088 46 G 3.7625 8.5902 104.2346 44.1045 0.0000 174.3159 47 D 4.5105 9.6919 118.5275 53.5074 40.7047 175.9102 48 L 3.9382 8.5377 129.3197 58.2737 41.7331 178.3700 49 F 4.3322 8.3607 119.9104 61.6231 39.3375 177.2035 50 T 3.7944 8.4377 115.4872 66.3399 68.0936 176.9713 51 I 3.6931 7.9358 121.9296 64.4080 37.3002 177.7905 52 E 4.0436 8.6065 120.4494 59.4612 29.2510 178.9328 53 L 3.5237 7.3867 118.0314 57.2457 41.8504 178.9710 54 A 3.9653 7.5953 120.5960 55.1194 18.0291 179.5346 55 A 3.8494 8.0303 118.6616 55.4003 18.5795 179.6956 56 L 4.0063 7.3949 115.6214 56.7937 41.4369 178.5817 57 F 5.0337 7.9662 116.3002 57.4688 39.3319 176.9989 58 H 4.3214 8.2817 115.6852 57.4232 29.2732 174.7197 59 D 4.9402 7.5125 118.9862 53.4155 40.7852 174.5668 60 Y 4.7130 7.6699 118.0765 57.8589 41.8216 175.7953 61 S 4.5304 8.1078 117.0286 56.1954 61.5606 174.7808 62 D 4.4541 6.9814 116.1869 53.0161 40.6165 176.6348 *70 Q 4.2672 7.4887 123.8724 56.2964 31.6117 176.4321 71 E 3.9649 8.1823 117.6780 59.5160 29.7262 177.8784 72 A 4.1643 8.0666 120.4448 55.7374 18.4291 179.4338 73 T 3.8843 8.0002 113.4740 66.9169 68.6053 176.6400 74 K 4.0787 8.0563 121.1022 59.5577 32.0321 179.0697 75 T 3.9939 8.3578 116.8757 66.3982 68.1634 176.6310 76 L 3.9398 7.7983 119.7579 57.8886 41.7634 179.0026 77 I 3.9456 7.5199 118.2104 64.8129 37.3775 177.5946 78 N 4.4882 8.1586 116.8023 56.2355 38.4995 177.8378 79 W 3.9269 8.2956 127.3946 58.4340 31.1781 177.2277 *81 E 4.3906 8.1466 118.4712 56.2580 30.8112 178.3342 82 T 3.6396 8.0607 114.5203 66.1077 68.4594 175.1104 83 K 3.9859 7.1810 117.1009 55.7824 32.2384 176.3080 84 E 3.7504 8.4008 117.9395 57.4083 27.0608 174.4230 85 I 4.1445 7.8716 119.4606 59.7516 38.3067 174.2298 86 P 4.2249 0.0000 0.0000 62.8817 31.8991 177.3315 87 S 4.3358 8.7353 116.7317 60.7087 62.8613 176.3365 88 E 3.9919 8.0799 123.4992 59.2652 29.5473 178.3316 89 L 4.0850 7.9551 118.8402 57.8562 41.6784 179.2646 90 I 3.8118 7.9300 119.3297 64.3364 36.9760 177.9872 91 K 3.9176 7.9301 119.7088 59.5314 31.9965 178.7679 92 K 3.9362 7.8871 117.9650 59.6770 32.0496 179.1113 93 I 3.7247 8.2271 120.2310 64.7518 37.1805 178.5981 94 I 3.7979 8.0917 120.4407 64.4705 36.7382 178.5437 95 R 3.9843 8.1976 118.2207 59.3743 30.1862 178.9487 96 I 3.8590 8.1708 119.7243 64.6520 37.0719 178.3770 97 I 3.7819 7.7774 120.5223 64.7915 36.4778 178.5274 98 Q 4.0646 8.1360 118.8474 58.6966 28.3991 178.1471 99 S 4.1635 7.8274 112.8869 60.4800 63.3750 175.2671 100 V 3.9109 7.3037 122.3738 63.3839 31.1581 174.9503 101 S 4.4294 7.6759 113.6669 58.5419 63.8681 175.1597 *111 A 4.0915 7.7885 124.2977 52.7212 18.1747 175.4909 112 L 4.9574 7.9467 119.3058 52.8276 44.9312 177.9353 113 T 4.1837 9.1005 114.9116 61.2825 70.8824 175.5158 114 I 3.6759 8.2169 121.3807 64.2098 38.0478 177.7960 115 E 3.9334 8.1746 119.0434 59.6687 29.2413 179.1367 116 E 4.0505 8.1838 118.2086 58.9674 29.3348 179.7521 117 K 3.9856 7.9320 118.8405 59.6812 32.2299 178.8615 118 I 3.6087 8.3042 120.2418 64.6556 36.9462 178.2305 119 V 3.4815 7.7084 117.8647 66.4347 31.4164 178.1175 120 Q 3.9158 7.7931 119.0156 59.2304 28.7767 178.0662 121 D 4.2913 8.4122 120.2349 57.2504 40.6635 178.5484 122 A 3.9896 8.2271 120.5821 55.0560 18.5930 178.9280 123 D 4.2694 8.3209 116.9669 57.4233 41.3518 178.2965 124 R 3.8724 7.9724 118.3796 59.6332 29.8854 178.7986 125 L 3.9854 8.2377 118.7368 57.8940 41.3958 178.2990 126 D 4.6491 7.8747 114.4186 54.8443 41.6378 176.7820 127 A 4.4107 8.3309 120.9959 52.7988 20.0020 176.4007 128 I 4.6111 7.1730 109.5434 59.3900 40.6782 175.3356 129 G 4.1515 8.3982 108.1359 44.4888 0.0000 173.3112 130 A 3.9276 8.6298 119.0401 55.5716 18.0641 180.0374 131 I 3.7127 7.7980 117.6795 64.3610 37.0959 178.4934 132 G 4.0817 7.6417 107.3605 47.5046 0.0000 175.2144 133 I 4.1291 7.8592 122.6949 64.1439 37.2219 178.0952 134 A 4.0620 8.1809 120.9523 55.4309 18.2138 179.9515 135 R 3.8074 8.6903 117.2785 59.7662 30.2063 179.2944 136 T 3.7294 8.6201 113.9641 65.1181 67.3268 176.1475 137 F 4.3410 8.4899 119.9274 60.5270 38.7504 177.9376 138 T 4.0669 7.9157 115.0378 66.3967 68.4190 176.0402 139 Y 4.2159 8.3600 121.9534 60.6887 38.9108 178.1002 140 G 3.8247 8.4909 106.8290 47.6544 0.0000 174.9766 141 G 3.9387 7.7180 103.8575 45.0519 0.0000 173.6036 142 A 4.7207 7.8396 121.0698 51.8786 20.0692 176.9082 143 H 4.6124 7.9037 110.9411 55.6864 31.3951 173.6473 144 N 3.9721 8.0534 114.4881 54.3986 35.5289 175.3861 145 R 4.4050 7.9427 116.5732 54.1058 30.9537 175.0518 146 E 3.9304 8.7283 124.4126 56.9307 30.2961 178.1938 147 I 3.8783 8.7766 124.5620 64.1282 37.2782 175.4409 148 A 4.9052 7.0248 118.0072 52.0724 21.6697 175.2209 149 N 4.4601 8.3767 110.7533 53.1066 40.0014 173.5145 150 Q 4.0745 8.8758 123.9653 58.2902 29.5515 178.2279 151 N 4.7825 7.4139 114.2220 52.2561 38.1789 172.8529 *153 P 4.4211 0.0000 0.0000 62.3605 33.4050 178.8586 154 K 4.2233 8.2243 120.2621 59.0944 32.1710 177.8476 155 N 5.0660 7.9548 111.7978 52.7484 41.3417 174.3759 156 T 4.3146 7.8491 109.9722 61.6157 69.8938 175.2836 157 T 3.8914 8.8112 121.9109 66.9292 68.4961 176.2992 158 L 3.9845 8.2820 122.1432 58.6061 41.9901 179.0077 159 Q 4.2544 8.1943 119.1124 59.4165 28.8693 177.4658 160 H 4.1199 8.3132 119.4739 59.3672 29.7513 177.2101 161 F 3.7706 8.3130 119.6195 60.5018 38.4589 177.0416 162 Y 4.4299 7.7788 114.7590 60.2683 37.9496 177.1104 163 D 4.6263 8.2716 119.4104 56.3999 41.6324 176.3434 164 K 4.2031 7.9606 116.4148 55.8653 34.6858 179.4104 165 L 3.3098 6.4712 118.2158 57.2065 42.3842 178.7339 166 L 4.0208 8.0348 121.5019 57.9954 42.1749 179.4804 167 L 4.2077 8.5550 119.0182 56.9304 41.6234 179.1136 168 I 3.6015 7.6648 120.2714 64.5648 36.8928 178.0338 169 K 3.8326 7.9297 118.1877 59.5704 31.8379 176.8596 170 D 4.5831 8.0466 117.0524 56.0195 41.3620 177.9140 171 Q 4.0326 7.8854 117.0281 56.4070 29.1141 176.5637 172 L 3.9903 6.7559 120.9943 55.3569 42.4626 177.5076 173 N 5.0061 8.3702 121.0864 51.5530 37.3949 175.9708 174 T 4.3637 7.1054 111.6271 62.5877 73.9422 174.0164 175 E 3.9578 8.6910 125.5107 59.5928 29.6198 179.7083 176 T 3.7789 7.8263 115.3363 66.5474 68.3427 176.3153 177 A 3.9552 7.9445 120.6721 55.4141 18.3570 179.3149 178 K 4.0132 8.3576 117.2435 59.7147 32.0448 179.4707 179 T 4.0807 7.9601 110.0660 63.8503 68.7846 176.0396 180 I 4.1712 7.5717 113.3289 61.3200 38.0809 176.5033 181 A 4.5068 7.4597 122.4923 52.8501 19.9892 178.7343 182 K 3.8654 7.6433 118.4174 59.9170 32.3606 178.3242 183 E 3.9913 8.2075 117.9479 59.5004 29.3751 179.7137 184 K 3.9429 7.9084 117.7434 59.5892 32.1745 179.0064 185 Q 4.1536 8.5874 118.5146 58.6642 29.1252 177.7672 186 K 4.1909 7.8460 120.7095 58.8822 32.3167 179.1478 187 I 3.7633 7.6924 118.1898 61.3795 38.8615 177.6084 *189 Q 4.2484 8.0924 119.8684 55.8187 30.8641 176.6668 190 D 4.3499 8.7614 117.9180 57.2659 40.7039 178.3805 191 F 4.1015 8.8480 121.5721 61.4380 39.4065 177.0143 192 I 3.1899 7.7324 118.5644 64.4589 36.8782 177.7952 193 Q 3.9192 8.1473 118.5208 59.3858 28.6623 179.2688 194 A 3.9324 8.1071 121.3864 55.5001 18.2980 178.9249 195 L 3.6112 7.7014 119.1977 57.9865 41.8934 178.7940 196 E 3.9606 8.0915 119.8049 58.9871 29.4684 179.4579 197 K 4.1121 7.7470 119.6937 59.0462 32.2816 177.7992 198 E 4.4184 7.7669 114.1855 56.7287 29.9479 177.1028 199 L 4.3173 7.6411 120.6560 55.9354 42.5225 176.5255 200 K 4.3916 7.2114 113.4888 55.2507 33.9358 175.4103 201 V 3.1182 7.6723 119.6179 62.8591 28.7152 169.1445 202 L 4.5948 7.6385 121.4900 52.8520 43.1191 176.6346 203 E 4.6582 8.5590 122.4411 57.3170 30.4213 176.5550 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 N 8.28 4.63 0.00 2.71 2.80 0.00 0.00 7.06 6.44 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 3 K 8.51 3.45 0.00 1.76 1.75 0.00 1.50 0.00 0.00 1.53 0.00 0.00 2.31 0.00 0.00 2.56 0.00 0.00 0.00 0.00 0.30 0.97 7.81 4 E 9.11 4.02 0.00 2.07 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.49 0.00 5 E 8.71 4.04 0.00 2.32 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 2.36 2.51 0.00 6 I 8.13 3.88 2.37 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.06 1.33 0.00 0.00 7 I 8.29 3.81 2.20 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 2.04 1.27 1.08 0.00 0.00 8 L 7.79 3.97 0.00 1.96 1.87 0.99 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 9 S 8.61 4.21 0.00 4.12 4.45 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 10 A 8.48 3.93 1.29 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 0.00 0.00 11 K 8.08 3.93 0.00 1.77 1.96 0.00 0.61 0.00 0.00 1.42 0.00 0.00 2.98 0.00 0.00 2.68 0.00 0.00 0.00 0.00 1.39 1.14 7.81 12 N 8.46 4.43 0.00 2.82 2.87 0.00 0.00 6.76 8.54 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 13 W 7.92 4.61 0.00 3.19 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 *15 H 8.08 3.44 0.00 1.86 2.90 0.00 5.73 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 S 7.27 4.38 0.00 3.92 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 17 H 7.90 4.62 0.00 2.97 3.02 0.00 5.88 0.00 0.00 0.00 0.00 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 F 7.58 4.69 0.00 3.21 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 *25 H 8.14 4.86 0.00 3.02 2.40 0.00 5.92 0.00 0.00 0.00 0.00 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 D 8.46 4.82 0.00 2.89 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 27 W 9.01 4.22 0.00 3.50 3.15 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 28 S 8.26 3.85 0.00 3.89 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 29 H 7.81 4.05 0.00 3.19 3.40 0.00 5.80 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 I 7.39 3.44 1.49 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.15 0.79 0.00 0.00 31 K 6.80 3.52 0.00 0.79 1.14 0.00 1.58 0.00 0.00 1.80 0.00 0.00 3.23 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.53 1.68 7.81 32 R 7.32 3.80 0.00 1.99 1.82 0.00 3.39 0.00 0.00 3.04 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.53 0.00 33 V 7.65 3.16 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 0.73 0.00 0.00 0.70 0.00 0.00 34 W 8.22 4.03 0.00 3.26 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 35 K 8.18 3.14 0.00 1.79 1.60 0.00 1.66 0.00 0.00 1.45 0.00 0.00 2.89 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.00 1.64 7.81 36 L 8.39 3.80 0.00 1.89 1.54 0.83 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 37 S 8.06 4.06 0.00 4.01 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 38 K 7.92 3.71 0.00 1.54 1.57 0.00 1.57 0.00 0.00 0.61 0.00 0.00 2.34 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.24 1.26 7.81 39 E 7.77 3.82 0.00 1.94 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 2.25 2.28 0.00 40 I 7.72 3.81 1.94 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 1.52 0.56 0.87 0.00 0.00 41 Q 8.08 4.02 0.00 2.44 2.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.83 0.00 0.00 0.00 0.00 0.00 2.31 2.51 0.00 42 S 7.59 4.22 0.00 3.95 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 43 K 7.67 4.57 0.00 1.67 1.80 0.00 1.67 0.00 0.00 1.68 0.00 0.00 2.95 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.30 1.39 7.81 44 E 8.06 4.38 0.00 1.97 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 2.30 2.33 0.00 45 G 8.73 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 46 G 8.59 3.76 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 0.00 0.00 0.00 47 D 9.69 4.51 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 48 L 8.54 3.94 0.00 1.82 1.74 0.91 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 49 F 8.36 4.33 0.00 3.12 3.30 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 50 T 8.44 3.79 4.54 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 1.23 0.00 0.00 51 I 7.94 3.69 2.01 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 0.81 0.87 0.00 0.00 52 E 8.61 4.04 0.00 2.31 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 2.85 2.77 0.00 53 L 7.39 3.52 0.00 1.41 1.30 0.61 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 54 A 7.60 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0.00 0.00 0.00 0.00 0.00 1.60 1.70 0.00 146 E 8.73 3.93 0.00 2.08 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 2.45 2.36 0.00 147 I 8.78 3.88 1.95 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 1.52 0.67 1.04 0.00 0.00 148 A 7.02 4.91 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 0.00 149 N 8.38 4.46 0.00 2.67 2.73 0.00 0.00 6.88 7.08 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 0.00 150 Q 8.88 4.07 0.00 2.06 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 7.25 0.00 0.00 0.00 0.00 0.00 2.38 2.45 0.00 151 N 7.41 4.78 0.00 2.76 2.74 0.00 0.00 7.25 7.57 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 *153 P 0.00 4.42 0.00 2.14 2.16 0.00 3.75 0.00 0.00 4.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 2.39 0.00 154 K 8.22 4.22 0.00 1.77 1.89 0.00 1.71 0.00 0.00 1.72 0.00 0.00 2.95 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.46 1.48 7.81 155 N 7.95 5.07 0.00 2.67 2.78 0.00 0.00 6.93 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 0.00 156 T 7.85 4.31 4.33 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 0.00 0.00 0.00 1.30 0.00 0.00 157 T 8.81 3.89 4.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.00 0.00 158 L 8.28 3.98 0.00 1.84 1.79 0.79 0.59 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 0.00 159 Q 8.19 4.25 0.00 2.38 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.53 0.00 0.00 0.00 0.00 0.00 2.67 2.70 0.00 160 H 8.31 4.12 0.00 3.28 3.47 0.00 5.84 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 161 F 8.31 3.77 0.00 3.07 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 0.00 162 Y 7.78 4.43 0.00 3.30 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 0.00 163 D 8.27 4.63 0.00 2.66 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 0.00 164 K 7.96 4.20 0.00 1.49 1.41 0.00 1.63 0.00 0.00 1.59 0.00 0.00 2.84 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.29 1.32 7.81 165 L 6.47 3.31 0.00 1.27 1.18 -0.43 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 166 L 8.03 4.02 0.00 1.91 1.80 1.02 0.89 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 0.00 167 L 8.55 4.21 0.00 1.85 1.87 0.93 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 168 I 7.66 3.60 1.94 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.93 0.85 0.00 0.00 169 K 7.93 3.83 0.00 1.70 1.87 0.00 1.64 0.00 0.00 1.62 0.00 0.00 3.23 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.44 1.60 7.81 170 D 8.05 4.58 0.00 2.86 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 0.00 171 Q 7.89 4.03 0.00 2.15 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.53 0.00 0.00 0.00 0.00 0.00 2.38 2.52 0.00 172 L 6.76 3.99 0.00 1.68 1.60 0.89 0.90 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 0.00 173 N 8.37 5.01 0.00 2.82 2.84 0.00 0.00 6.82 7.73 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 0.00 174 T 7.11 4.36 4.52 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 1.27 0.00 0.00 175 E 8.69 3.96 0.00 2.04 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 2.45 0.00 176 T 7.83 3.78 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 1.17 0.00 0.00 177 A 7.94 3.96 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 0.00 178 K 8.36 4.01 0.00 1.95 1.86 0.00 1.65 0.00 0.00 1.69 0.00 0.00 3.00 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.45 1.63 7.81 179 T 7.96 4.08 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 1.25 0.00 0.00 180 I 7.57 4.17 1.83 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 1.66 0.56 0.91 0.00 0.00 181 A 7.46 4.51 1.39 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 0.00 0.00 0.00 182 K 7.64 3.87 0.00 1.82 1.87 0.00 1.65 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.44 1.49 7.81 183 E 8.21 3.99 0.00 2.04 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 2.40 2.41 0.00 184 K 7.91 3.94 0.00 1.98 1.92 0.00 1.64 0.00 0.00 1.87 0.00 0.00 2.88 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.51 1.47 7.81 185 Q 8.59 4.15 0.00 2.03 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.97 0.00 0.00 0.00 0.00 0.00 2.39 2.44 0.00 186 K 7.85 4.19 0.00 1.91 1.96 0.00 1.72 0.00 0.00 1.58 0.00 0.00 2.91 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.44 1.45 7.81 187 I 7.69 3.76 1.89 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.47 1.01 0.00 0.00 *189 Q 8.09 4.25 0.00 2.48 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.35 6.68 0.00 0.00 0.00 0.00 0.00 2.36 2.44 0.00 190 D 8.76 4.35 0.00 2.95 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 0.00 191 F 8.85 4.10 0.00 3.09 3.15 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 0.00 192 I 7.73 3.19 1.91 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.70 0.73 0.00 0.00 193 Q 8.15 3.92 0.00 2.19 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.75 0.00 0.00 0.00 0.00 0.00 2.40 2.63 0.00 194 A 8.11 3.93 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 0.00 195 L 7.70 3.61 0.00 1.09 1.36 0.84 0.87 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 0.00 196 E 8.09 3.96 0.00 1.97 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 2.38 2.31 0.00 197 K 7.75 4.11 0.00 1.85 1.89 0.00 1.60 0.00 0.00 1.66 0.00 0.00 3.00 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.39 1.41 7.81 198 E 7.77 4.42 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 2.54 2.22 0.00 199 L 7.64 4.32 0.00 1.80 1.68 0.89 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 200 K 7.21 4.39 0.00 1.76 1.75 0.00 1.90 0.00 0.00 1.62 0.00 0.00 3.16 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.57 1.31 7.81 201 V 7.67 3.12 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 0.75 0.00 0.00 0.92 0.00 0.00 202 L 7.64 4.59 0.00 1.61 1.57 1.01 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 0.00 203 E 8.56 4.66 0.00 1.91 1.79 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 2.05 2.09 0.00 * Residues marked with a * may have inaccurate shift predictions.