NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 R 4.1234 8.2549 119.0531 55.7931 31.7668 175.6014 5 F 4.1747 7.6667 116.1188 53.5270 40.0616 173.4281 6 P 4.5363 0.0000 0.0000 62.9166 32.6690 175.2408 7 F 5.0341 6.3502 112.8077 54.0700 40.9431 172.7415 8 P 4.4099 0.0000 0.0000 62.8941 31.6722 176.4538 9 V 4.3638 7.6821 114.5262 60.7076 35.4426 174.9910 10 G 3.7568 9.9135 108.4312 46.5409 0.0000 173.0918 11 E 5.0047 6.9156 114.8136 54.7899 32.2488 173.2524 12 P 4.9957 0.0000 0.0000 62.9595 32.5533 175.3123 13 D 4.6346 8.7573 119.4258 53.3832 45.2700 174.1761 14 F 5.4692 8.9159 127.3501 56.9001 40.0370 174.4034 15 I 4.6353 8.4518 119.2359 59.2411 41.7810 174.5705 16 Q 4.4513 8.3261 121.5975 54.6433 30.6935 177.4208 17 G 3.8207 8.5050 108.1171 47.7237 0.0000 175.6344 18 D 4.3419 8.0260 121.4280 57.1001 40.8285 178.5968 19 E 3.9157 8.0845 119.1076 58.9196 29.6507 178.5897 20 A 4.0510 8.0740 121.0054 55.1070 18.4044 179.3452 21 I 3.6102 7.8799 118.1911 64.6464 37.2609 178.3007 22 A 4.0010 8.0423 121.1219 55.4177 18.1594 179.8897 23 R 3.1062 7.9132 116.1552 58.9787 29.9388 179.1782 24 A 3.4967 8.0908 120.3273 54.8593 18.3015 179.3766 25 A 3.7750 8.2002 119.5522 55.5003 18.5544 179.9839 26 I 3.7079 7.7726 118.1306 64.6187 37.0081 178.7904 27 L 3.9542 8.0921 118.7139 57.4835 41.4922 178.9197 28 A 4.1331 7.9513 119.5917 52.7487 18.3992 178.1096 29 G 3.9734 7.3515 104.8500 45.0448 0.0000 173.5853 30 C 4.2655 7.4167 120.5377 59.8152 31.8886 173.3157 31 R 4.7805 8.8612 123.1431 55.5667 32.5849 174.4112 32 F 5.2091 8.2035 121.8881 56.6156 43.0483 172.5817 33 Y 4.9934 8.2593 126.0715 55.7328 42.4419 173.5026 34 A 5.0142 7.7766 127.0884 50.0663 22.7522 175.2860 35 G 4.3970 8.0401 107.8038 46.5353 0.0000 171.0746 *36 Y 4.8985 8.4966 119.6951 54.3522 41.8098 173.6967 37 P 4.1537 0.0000 0.0000 63.4679 31.9035 176.3609 38 I 4.5979 8.1852 115.4879 60.6717 38.2536 174.9085 39 T 4.6567 8.1175 114.5006 61.5423 67.7708 172.5542 40 P 4.4693 0.0000 0.0000 63.9834 31.9323 177.0605 41 A 4.1595 8.0335 122.7496 54.9237 18.6299 177.1805 42 S 4.7679 8.5680 108.9511 57.1851 65.4483 173.7901 43 E 4.6567 9.6412 124.7427 56.1678 29.6542 178.0318 44 I 3.6906 7.7348 121.3355 63.8775 38.4578 176.8266 45 F 3.9439 8.4856 121.4970 61.2465 39.4958 175.9810 46 E 4.0686 8.4175 119.2516 59.4191 29.5538 178.9408 47 A 3.4317 7.5136 117.1466 52.7291 17.7850 178.7292 *49 A 3.9528 8.0014 123.1459 53.3951 20.4793 179.1134 50 L 4.0260 7.6553 116.4758 58.5353 42.3680 178.1422 51 Y 4.7611 7.7445 116.3343 58.2091 37.8935 175.8844 *53 P 4.3797 0.0000 0.0000 62.4992 33.4413 178.7600 54 L 4.2792 7.7973 116.2603 56.1644 41.8059 177.8692 55 V 4.1693 7.5088 110.1743 60.6490 32.3008 174.8296 56 D 4.3762 7.8520 116.5313 55.9732 37.9687 173.0364 57 G 4.3897 7.9347 105.0714 44.3223 0.0000 172.9475 58 V 4.5659 8.4897 118.2214 60.9223 34.9658 174.4893 59 V 4.7505 8.3939 126.8755 61.1528 33.7260 174.2788 60 I 4.5062 8.5377 129.1886 59.7125 39.3081 174.9606 61 Q 5.8152 8.5962 127.3612 54.4835 30.8098 175.0716 *63 E 4.3599 8.7025 121.3824 56.2751 31.5973 177.1385 64 D 4.4395 7.7936 117.7635 54.2682 42.7303 176.6461 65 E 4.0153 8.7740 126.3885 59.5286 29.6862 179.2755 66 I 3.6757 8.0033 119.2108 64.4815 37.1056 178.1528 67 A 4.0395 7.9370 120.9304 55.2273 18.3010 179.7405 68 S 4.1042 7.9675 113.2698 61.6921 62.8260 176.8146 69 I 3.6839 7.8138 121.0939 64.0358 37.7899 177.7122 70 A 3.9913 8.1974 121.4698 55.1579 18.1784 179.5088 71 A 3.9725 8.3788 119.1754 55.3029 18.5016 179.7688 72 A 3.9663 8.1944 119.3768 55.1483 18.3983 179.8783 73 I 3.7571 8.1663 118.8324 64.5663 37.2528 178.8984 74 G 3.6232 8.2602 106.2230 47.6891 0.0000 175.4364 75 A 3.7278 7.6332 123.3981 54.7565 18.1867 179.6136 76 S 4.4404 7.8447 112.7444 60.9975 62.2684 176.5122 77 W 4.3956 8.0237 119.8350 59.4733 28.8583 177.5549 78 A 4.3754 7.9054 118.2696 52.3691 18.0392 177.8743 79 G 3.9688 8.2839 105.7579 44.7788 0.0000 173.9460 80 A 4.5160 8.0430 121.9058 50.8032 21.1243 177.1364 81 K 4.5969 8.6008 119.4657 56.0148 33.6232 176.0902 82 A 5.9400 8.4907 125.8325 49.2561 23.3135 173.9410 *84 T 4.3646 8.4527 111.6212 62.2223 69.0700 172.2846 85 A 5.2165 8.1170 124.9365 50.5607 22.1167 175.1302 86 T 4.8126 9.2792 116.2490 60.5391 72.1482 172.1678 87 S 4.9371 8.2275 116.9216 57.6941 66.3297 174.9351 88 G 3.9806 8.9409 115.6805 46.3104 0.0000 174.1190 89 P 4.4195 0.0000 0.0000 64.8512 31.7258 178.3378 90 G 4.3394 8.2412 106.8740 47.1325 0.0000 175.4070 91 F 4.3441 8.2158 121.6439 61.3092 39.6148 176.9542 92 S 4.1380 7.7111 112.5487 61.0216 62.7993 176.2341 93 L 4.1145 7.3978 123.7562 55.2266 40.9013 178.9936 *95 Q 4.1008 8.2903 118.2310 54.9818 30.3634 179.6322 96 E 4.0194 8.0730 118.0505 58.8479 29.9859 177.4693 97 N 4.4981 8.1022 114.9284 56.3342 38.7143 176.7885 98 I 3.7001 6.8388 119.7123 61.4035 37.0612 177.3634 *104 T 4.4121 8.0966 114.8018 62.2456 69.1952 173.8885 105 E 4.2510 8.0349 116.0602 56.5811 26.7815 175.0005 106 T 3.7577 7.4811 111.7321 59.7041 68.8764 173.1833 107 P 4.6625 0.0000 0.0000 62.7669 31.8636 176.2553 108 V 4.5848 8.1734 122.7393 60.5505 34.7635 172.6615 109 V 4.4958 8.0771 123.2318 61.3773 32.9039 174.8345 110 I 4.5945 8.5115 129.1394 59.5317 39.7012 174.9108 111 V 4.2979 8.7311 128.8166 62.2121 32.7899 174.1232 112 D 5.1116 8.9355 129.1973 52.6154 43.1822 175.2332 113 V 4.3382 9.2164 130.3078 63.5397 32.3553 176.2400 114 Q 3.7110 8.9128 129.4616 55.3003 24.9326 170.9488 *141 D 4.4191 7.5094 117.8894 54.8978 41.9132 175.2654 142 H 4.7842 8.0619 117.8646 55.2010 31.5537 173.4936 143 S 4.6987 8.2822 112.9491 57.3790 63.2166 174.0434 144 L 4.6925 7.7594 119.3666 53.0479 44.1537 177.0130 145 I 4.0486 8.0296 122.5423 61.2759 38.3419 175.1632 146 V 4.8881 8.2813 125.9475 61.1624 34.5769 174.1279 147 L 4.7109 9.0094 127.6574 53.1869 44.6965 175.8139 148 S 5.6946 9.0508 118.8642 54.7413 64.0971 171.5696 149 P 4.3561 0.0000 0.0000 62.4586 31.6876 176.5866 150 S 4.6171 9.2992 115.5981 57.9930 64.7781 174.0942 151 T 4.6762 7.2998 110.8306 58.9819 73.0768 174.7104 152 V 3.5140 8.0967 119.9098 66.0540 31.4669 177.4602 153 Q 3.9907 7.9847 119.4628 59.5261 28.8630 178.4895 154 E 3.4976 8.0876 119.1804 58.8738 29.1802 178.9806 155 A 3.9291 8.1603 121.3906 55.3282 18.4995 179.1729 156 F 3.9983 8.2802 118.9342 61.7102 39.5233 177.0948 157 D 4.4999 8.7199 118.4367 57.5367 40.7264 178.9912 158 F 4.4223 8.9863 118.6831 60.5501 38.9335 178.0674 159 T 3.9101 7.7685 115.9122 66.6581 68.2992 176.7481 160 I 3.7551 7.4178 121.2452 64.4940 37.0360 178.5087 161 R 3.9193 8.2411 119.2568 59.2817 29.8395 178.4506 162 A 3.9306 8.1705 120.8470 54.9922 18.3384 179.6757 163 F 3.9307 8.0848 115.9702 60.8066 38.9678 177.5619 164 N 4.3687 8.3914 116.0897 56.4763 38.2723 177.5125 165 L 4.0793 8.3702 120.9258 57.6823 41.7227 179.6813 166 S 4.3421 8.0229 115.7362 60.8045 62.4420 176.5109 167 E 3.8375 8.3379 122.1814 59.0079 29.0706 178.8963 168 K 3.5832 7.7966 118.7573 59.3759 32.0701 176.9291 169 Y 4.5533 7.8912 112.2575 56.8745 39.0596 175.9137 170 R 3.7465 7.5268 118.0058 56.5415 27.7405 174.5699 171 T 4.8021 7.8041 111.5888 60.1385 72.0176 171.6565 172 P 4.7144 0.0000 0.0000 62.6750 32.2062 175.9604 173 V 4.5407 8.7665 123.8797 61.1330 34.7202 174.0447 174 I 4.6439 8.5149 128.6012 59.9102 39.0357 174.4039 175 L 4.7603 8.7749 130.5872 53.6690 43.5691 174.9431 176 L 4.7575 9.0617 130.7156 54.0996 43.5317 174.9796 177 T 5.2787 8.8781 122.1848 60.6413 71.6712 171.3303 178 D 5.1015 8.2979 119.4397 50.8625 42.7155 176.2672 179 A 4.3331 8.6740 121.5126 54.3921 18.3224 179.3045 180 E 3.9901 8.1651 117.7831 59.5389 29.8157 178.8240 181 V 3.6572 8.8491 118.7010 66.0973 31.5907 178.2016 182 G 3.7104 8.3294 105.2399 46.5601 0.0000 172.4834 183 H 5.1304 7.4874 118.7285 53.6936 27.7652 173.1249 *185 R 4.0542 7.6953 118.8970 55.7659 31.6543 174.7156 186 E 4.9553 8.4163 121.5639 54.9584 33.8338 173.7370 187 R 5.0266 8.8375 125.8648 55.8352 30.9374 175.8236 188 V 4.5441 8.6495 119.7690 59.2537 35.8086 174.5701 189 Y 4.2503 8.7002 126.0011 57.9019 39.4476 175.0362 190 I 3.5660 7.6685 128.6382 58.8901 38.2709 173.9232 191 P 4.4936 0.0000 0.0000 61.7642 32.4840 176.6152 192 N 4.4471 8.5295 117.9794 52.6386 39.4118 174.5898 193 P 4.3285 0.0000 0.0000 65.9467 31.4249 178.4849 194 D 4.4668 8.0868 114.6520 55.5245 39.2961 176.6693 195 E 4.3111 8.2061 118.5001 56.9129 30.0011 176.0154 196 I 4.3671 7.6777 121.0113 59.0555 38.8773 174.8947 197 E 4.1100 8.8298 126.5925 55.9060 29.3486 175.4994 198 I 4.5953 8.2084 127.5474 59.5577 39.0622 175.2623 199 I 4.3004 8.6900 126.8271 59.9896 38.2750 174.9844 200 N 5.0487 8.3340 122.0050 50.7264 41.0235 174.8645 201 R 4.0930 9.0340 121.2277 56.8963 30.0091 177.5981 202 K 4.1664 8.4435 119.9228 55.0215 31.7371 176.8220 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 R 8.25 4.12 0.00 1.85 1.91 0.00 3.22 0.00 0.00 3.22 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.23 0.00 5 F 7.67 4.17 0.00 2.67 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 0.00 0.00 0.00 6 P 0.00 4.54 0.00 2.31 2.14 0.00 2.81 0.00 0.00 3.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.90 0.00 7 F 6.35 5.03 0.00 2.95 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 8 P 0.00 4.41 0.00 2.09 2.05 0.00 3.75 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.15 0.00 9 V 7.68 4.36 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 0.59 0.00 0.00 0.86 0.00 0.00 10 G 9.91 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 11 E 6.92 5.00 0.00 2.04 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 2.28 2.21 0.00 12 P 0.00 5.00 0.00 2.00 2.08 0.00 3.77 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.24 0.00 13 D 8.76 4.63 0.00 2.67 2.41 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 14 F 8.92 5.47 0.00 2.91 2.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 I 8.45 4.64 1.79 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.70 0.87 0.00 0.00 16 Q 8.33 4.45 0.00 1.92 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.93 0.00 0.00 0.00 0.00 0.00 2.37 2.19 0.00 17 G 8.50 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 D 8.03 4.34 0.00 2.63 2.68 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 0.00 0.00 0.00 0.00 19 E 8.08 3.92 0.00 2.02 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 0.00 2.33 2.36 0.00 20 A 8.07 4.05 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 21 I 7.88 3.61 2.06 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 0.91 0.97 0.00 0.00 22 A 8.04 4.00 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 23 R 7.91 3.11 0.00 1.72 1.51 0.00 2.81 0.00 0.00 2.51 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.39 0.00 24 A 8.09 3.50 0.78 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 25 A 8.20 3.78 1.54 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 0.00 0.00 26 I 7.77 3.71 2.20 0.00 0.00 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 1.63 1.11 1.22 0.00 0.00 27 L 8.09 3.95 0.00 1.60 1.65 1.08 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 28 A 7.95 4.13 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 G 7.35 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 0.00 0.00 0.00 30 C 7.42 4.27 0.00 2.39 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 31 R 8.86 4.78 0.00 1.82 1.91 0.00 3.29 0.00 0.00 3.11 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.69 0.00 32 F 8.20 5.21 0.00 3.22 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 33 Y 8.26 4.99 0.00 3.03 2.51 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.78 5.01 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 35 G 8.04 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 0.00 0.00 0.00 0.00 *36 Y 8.50 4.90 0.00 2.24 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 0.00 0.00 0.00 0.00 37 P 0.00 4.15 0.00 1.89 1.84 0.00 3.22 0.00 0.00 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.34 0.00 38 I 8.19 4.60 1.91 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.36 0.95 0.00 0.00 39 T 8.12 4.66 4.47 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 1.20 0.00 0.00 40 P 0.00 4.47 0.00 2.18 2.14 0.00 3.83 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 1.96 1.94 0.00 41 A 8.03 4.16 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 S 8.57 4.77 0.00 3.80 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 43 E 9.64 4.66 0.00 1.92 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 2.28 2.33 0.00 44 I 7.73 3.69 1.89 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.63 1.04 0.00 0.00 45 F 8.49 3.94 0.00 3.16 3.11 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 46 E 8.42 4.07 0.00 2.15 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 2.40 1.88 0.00 47 A 7.51 3.43 1.11 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 *49 A 8.00 3.95 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 L 7.66 4.03 0.00 1.40 1.41 0.89 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 51 Y 7.74 4.76 0.00 3.08 2.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *53 P 0.00 4.38 0.00 2.20 2.13 0.00 3.72 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.09 0.00 54 L 7.80 4.28 0.00 1.89 1.71 1.09 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 55 V 7.51 4.17 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 0.59 0.00 0.00 0.98 0.00 0.00 56 D 7.85 4.38 0.00 2.85 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 57 G 7.93 4.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 1.64 0.80 0.91 0.00 0.00 67 A 7.94 4.04 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 68 S 7.97 4.10 0.00 4.03 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 69 I 7.81 3.68 1.88 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 1.45 1.50 1.03 0.00 0.00 70 A 8.20 3.99 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 71 A 8.38 3.97 1.59 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 72 A 8.19 3.97 1.48 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 0.00 0.00 73 I 8.17 3.76 2.11 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 1.51 0.75 1.17 0.00 0.00 74 G 8.26 3.62 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 0.00 75 A 7.63 3.73 0.28 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 76 S 7.84 4.44 0.00 3.86 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 77 W 8.02 4.40 0.00 3.43 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 78 A 7.91 4.38 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 79 G 8.28 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 0.00 0.00 0.00 80 A 8.04 4.52 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 81 K 8.60 4.60 0.00 1.90 1.86 0.00 1.53 0.00 0.00 1.84 0.00 0.00 2.82 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.77 1.46 7.81 82 A 8.49 5.94 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 *84 T 8.45 4.36 4.18 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 4.66 0.00 1.88 2.01 0.00 3.26 0.00 0.00 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.93 0.00 108 V 8.17 4.58 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 0.72 0.00 0.00 0.96 0.00 0.00 109 V 8.08 4.50 1.49 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 0.45 0.00 0.00 -0.10 0.00 0.00 110 I 8.51 4.59 1.99 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 1.19 0.54 1.08 0.00 0.00 111 V 8.73 4.30 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 0.96 0.00 0.00 0.99 0.00 0.00 112 D 8.94 5.11 0.00 2.16 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 0.00 0.00 0.00 113 V 9.22 4.34 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 0.90 0.00 0.00 0.95 0.00 0.00 114 Q 8.91 3.71 0.00 2.15 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.70 6.28 0.00 0.00 0.00 0.00 0.00 2.16 2.17 0.00 *141 D 7.51 4.42 0.00 2.70 2.72 0.00 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8.02 4.34 0.00 4.19 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 167 E 8.34 3.84 0.00 2.04 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 2.56 2.65 0.00 168 K 7.80 3.58 0.00 1.59 1.16 0.00 0.73 0.00 0.00 1.02 0.00 0.00 2.82 0.00 0.00 2.88 0.00 0.00 0.00 0.00 0.91 1.13 7.81 169 Y 7.89 4.55 0.00 3.13 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 0.00 170 R 7.53 3.75 0.00 2.02 2.02 0.00 3.16 0.00 0.00 3.09 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.63 0.00 171 T 7.80 4.80 4.47 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 1.27 0.00 0.00 172 P 0.00 4.71 0.00 1.99 1.97 0.00 3.67 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.08 0.00 173 V 8.77 4.54 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 1.06 0.00 0.00 0.94 0.00 0.00 174 I 8.51 4.64 1.83 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 1.02 0.69 0.00 0.00 175 L 8.77 4.76 0.00 1.72 1.53 1.02 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 176 L 9.06 4.76 0.00 1.61 1.48 0.88 0.42 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 0.00 177 T 8.88 5.28 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 1.20 0.00 0.00 178 D 8.30 5.10 0.00 2.77 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 0.00 179 A 8.67 4.33 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 180 E 8.17 3.99 0.00 2.05 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 2.37 2.36 0.00 181 V 8.85 3.66 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 0.90 0.00 0.00 0.97 0.00 0.00 182 G 8.33 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 0.00 183 H 7.49 5.13 0.00 3.10 3.24 0.00 5.89 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *185 R 7.70 4.05 0.00 1.54 0.88 0.00 3.02 0.00 0.00 2.67 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 1.43 0.00 186 E 8.42 4.96 0.00 2.05 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 2.26 2.33 0.00 187 R 8.84 5.03 0.00 1.92 1.88 0.00 3.11 0.00 0.00 3.18 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.71 0.00 188 V 8.65 4.54 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 0.62 0.00 0.00 0.73 0.00 0.00 189 Y 8.70 4.25 0.00 2.92 2.87 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 0.00 190 I 7.67 3.57 1.65 0.00 0.00 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.86 0.81 0.00 0.00 191 P 0.00 4.49 0.00 1.98 2.25 0.00 3.66 0.00 0.00 3.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.17 0.00 192 N 8.53 4.45 0.00 2.83 2.91 0.00 0.00 7.28 7.91 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 0.00 193 P 0.00 4.33 0.00 2.24 2.22 0.00 3.60 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.00 0.00 194 D 8.09 4.47 0.00 2.79 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 0.00 195 E 8.21 4.31 0.00 2.22 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 0.00 2.38 2.34 0.00 196 I 7.68 4.37 1.89 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 1.28 0.80 0.94 0.00 0.00 197 E 8.83 4.11 0.00 1.95 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 2.30 2.28 0.00 198 I 8.21 4.60 1.87 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 1.42 1.02 0.94 0.00 0.00 199 I 8.69 4.30 1.84 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.50 0.84 0.00 0.00 200 N 8.33 5.05 0.00 2.67 2.69 0.00 0.00 7.06 7.66 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 0.00 201 R 9.03 4.09 0.00 1.80 2.03 0.00 3.01 0.00 0.00 3.16 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.56 0.00 202 K 8.44 4.17 0.00 1.80 1.62 0.00 1.84 0.00 0.00 1.74 0.00 0.00 2.95 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.36 1.00 7.81 * Residues marked with a * may have inaccurate shift predictions.