NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4324 8.2931 120.3289 54.6000 33.4762 174.3182 2 G 3.5869 8.6168 108.2511 45.7382 0.0000 172.0895 3 R 4.0602 9.3507 125.0371 56.5107 31.5527 174.8824 4 R 4.7278 8.2673 120.7851 53.9512 34.0190 173.0150 5 P 4.6293 0.0000 0.0000 61.9960 32.8166 176.9180 6 A 4.2364 8.4682 121.2319 54.3745 18.5367 180.0482 7 R 3.8358 7.4052 117.6765 59.6268 29.8671 178.5937 8 C 3.8005 7.6734 114.9352 62.2134 28.0950 174.6576 9 Y 4.6255 6.6549 114.7099 57.8089 38.3553 177.3512 10 R 4.0752 7.5789 121.1655 58.4200 30.2783 176.5434 11 Q 4.3794 7.5218 117.0506 55.8041 29.2438 177.4462 12 I 4.1434 8.1640 124.3094 60.7984 35.0522 174.7433 13 K 4.3816 8.2698 123.1035 56.5877 34.6617 175.9029 14 N 5.0130 7.8552 113.6986 50.6888 40.8714 174.3547 15 K 3.8433 8.5069 121.1132 56.0923 32.7233 174.4581 16 P 4.5002 0.0000 0.0000 61.6277 31.9596 174.6902 17 Y 4.6188 8.6340 121.8810 55.7187 39.3902 174.0942 18 P 5.1073 0.0000 0.0000 62.2465 32.4782 175.3986 19 K 4.3963 8.0738 120.7053 55.3724 30.7113 177.0343 20 S 4.2089 8.7384 119.1664 61.9078 62.7716 176.5949 21 R 3.9923 7.9978 119.2186 58.0480 29.9544 177.5872 22 Y 4.5208 7.8450 115.2255 59.2701 39.7709 176.2328 23 C 4.5182 8.3150 119.0695 59.0222 26.4022 173.5147 24 R 4.0503 7.9946 122.1959 57.0222 30.5691 177.4571 25 G 3.9002 8.7994 108.1352 45.4158 0.0000 173.9974 26 V 3.5631 7.6925 119.6209 62.5182 31.7846 173.8812 27 P 4.7054 0.0000 0.0000 61.4043 33.0521 174.6235 28 D 4.2178 8.0735 117.1435 53.0245 40.2596 175.8206 29 P 4.6630 0.0000 0.0000 62.3655 32.5776 174.8460 30 K 4.7162 7.9691 116.4816 54.7953 36.0704 176.2895 31 I 3.9935 8.0314 120.9935 61.4560 37.5821 177.0448 32 R 4.1576 8.6765 122.5802 58.7726 30.2136 177.5570 33 I 4.6704 7.4251 109.2773 59.5143 40.8409 174.2128 34 Y 4.5900 8.7907 121.4293 60.3026 39.2956 174.9117 35 D 5.3978 8.1219 119.2271 52.5892 43.3189 175.6399 36 V 4.2772 8.8295 123.9466 61.5295 33.9851 172.8321 37 G 4.0060 9.1258 112.5824 44.2382 0.0000 172.5333 38 M 4.2751 8.7280 124.4510 54.8171 33.0658 176.2622 39 K 5.4896 7.7981 129.8246 57.1372 33.0871 175.3971 40 K 4.4008 7.4700 111.9171 57.7553 35.9338 175.3225 41 K 4.4397 7.6533 117.5215 56.2421 35.6029 173.9521 42 G 4.0875 9.5071 106.8267 46.6177 0.0000 174.2721 43 V 4.4429 7.4077 116.8184 63.2843 33.7065 178.0319 44 D 3.8811 6.7682 115.5383 55.2196 41.0992 176.6772 45 E 3.9642 8.2372 122.6856 55.6012 30.6815 177.2157 46 F 5.2437 7.6516 117.5930 55.6039 38.2046 174.3501 47 P 4.4470 0.0000 0.0000 62.5974 31.8406 176.7345 48 Y 4.0656 8.0321 115.9386 57.4449 42.6153 173.7368 49 C 5.3934 9.2096 123.5430 57.7111 34.8627 172.6369 50 V 5.0672 9.1182 118.7419 60.0318 34.7982 174.3996 51 H 5.5529 9.6545 120.5048 53.9467 33.0289 172.0900 52 L 5.1361 8.6925 122.0450 53.5074 44.6034 175.4624 53 V 4.7866 8.4103 119.3982 59.3683 35.0843 175.0311 54 S 4.5674 8.4550 120.3466 58.1429 62.7690 174.6557 55 W 4.3108 9.2261 135.0000 59.2265 31.3852 175.8058 56 E 4.7786 8.2196 119.0301 54.0095 31.9033 176.1016 57 K 4.3723 8.7972 124.8964 56.6922 32.8210 175.7874 58 E 4.7269 8.6662 122.5324 54.9544 34.8999 174.4521 59 N 5.1843 8.6260 119.5391 52.6204 39.2014 175.1091 60 V 4.2985 8.7088 125.9616 61.0582 33.3585 175.8854 61 S 4.5051 8.7266 122.2591 58.2552 63.7554 175.0828 62 S 4.0355 8.5539 116.9878 61.7256 62.1054 176.4636 63 E 3.9404 8.1857 121.2916 59.0828 29.3971 178.3172 64 A 4.1303 7.9098 120.8552 55.0811 18.5215 179.4769 65 L 3.9581 7.9603 117.5066 57.9804 41.6952 179.4217 66 E 3.9229 7.9811 118.9670 59.2059 29.4993 178.6721 67 A 3.9733 8.5317 120.9686 55.1417 18.3441 179.4759 68 A 3.8801 8.3875 119.6966 55.2410 18.4885 179.8285 69 R 3.8615 7.9182 116.9135 59.6544 30.2065 178.6420 70 I 3.8024 8.3176 118.6890 63.8270 37.4713 177.6936 71 A 4.0054 7.7961 121.9585 55.2314 18.2202 179.1374 72 C 4.2092 7.8340 117.2702 62.8482 31.6812 175.5839 73 N 4.3757 8.7080 118.4561 56.1946 38.1118 177.3608 74 K 3.9769 8.2410 121.1301 59.5654 31.8148 178.2062 75 Y 3.7759 7.8110 118.7856 60.7195 38.6541 177.8357 76 M 4.0067 8.2723 119.6547 59.0046 32.1727 178.7520 77 T 4.1282 7.9594 112.9619 64.8244 67.4024 175.6246 78 K 4.2207 8.2651 119.1818 57.4552 32.3921 176.3689 79 N 4.7831 7.5203 112.6577 53.8871 40.9131 174.7974 80 A 4.2935 8.3288 116.2655 53.1969 22.1679 176.8559 81 G 3.9526 7.8719 103.6699 44.8537 0.0000 174.3092 82 K 3.9876 8.7049 121.4140 59.6430 32.7337 177.7002 *83 D 5.0799 7.7213 114.0137 51.9008 40.8825 176.8259 84 A 4.6887 7.5030 135.0000 53.1913 19.0125 178.0798 *85 F 4.6489 8.4243 122.5050 59.5104 41.1215 172.4929 *86 H 5.1462 7.7923 116.6984 56.1656 32.4290 170.4252 *87 L 4.8493 8.9395 126.1001 52.7091 43.3065 172.5184 88 R 5.0575 8.9283 122.5377 53.0551 33.0032 174.4454 89 V 4.3951 8.3871 126.7595 62.2686 32.3535 175.4352 90 R 4.6908 8.7889 125.4450 55.6211 31.8996 174.5964 91 V 4.2321 7.4051 115.9643 61.4272 34.2472 174.0457 92 H 4.6637 7.5940 122.0824 53.5394 32.7601 172.1944 93 P 4.5111 0.0000 0.0000 61.0800 29.9471 175.1617 94 F 4.4552 7.4479 125.0496 61.4960 39.5743 175.3558 95 H 4.8319 8.7002 124.0319 54.4590 29.5376 173.4297 96 V 4.0778 8.0880 123.2203 62.7681 32.2762 175.3663 97 L 3.8736 8.7902 129.5679 56.0906 42.0384 177.0300 98 R 3.7870 8.8821 126.5399 56.4593 29.5347 177.8050 99 I 3.4886 9.0499 122.2864 61.2078 37.4465 173.1414 100 N 4.3951 8.7031 120.2085 53.8140 38.7259 174.8286 101 K 4.5878 7.9338 121.4809 55.8270 36.0854 174.6275 102 M 3.0180 8.4763 122.7612 55.8377 28.1903 176.0809 103 L 4.5700 7.7985 120.7781 53.1589 43.8763 175.9392 104 S 4.8782 7.9979 114.6731 57.5393 66.5137 173.6680 105 C 5.1025 8.1192 112.7942 59.6050 31.2620 173.0310 106 A 4.5550 8.3247 124.4192 52.1727 19.2026 178.3771 107 G 4.2445 9.1173 105.9763 45.7047 0.0000 172.2993 108 A 4.8796 7.7551 120.1685 50.0130 24.0018 175.8490 109 D 4.7767 8.6759 117.2984 53.8417 41.2441 180.5432 110 R 3.5038 8.4310 119.8005 57.6968 26.9145 176.0949 111 L 4.1315 8.1538 123.5739 57.9528 42.2982 179.1959 112 Q 4.1863 8.1789 115.8222 59.0770 29.0070 175.9734 113 T 4.6383 7.1409 107.4541 61.5882 76.3980 173.0452 114 G 3.9279 8.6461 114.2428 46.5077 0.0000 176.3339 115 M 2.9564 8.8943 113.2843 54.1893 33.1656 179.6002 116 R 3.4574 10.0570 124.6339 57.6335 26.7574 170.6235 117 G 3.5609 8.3058 110.0049 44.4209 0.0000 170.5687 118 A 3.9016 8.0536 128.5554 52.8003 18.6432 176.4417 119 F 3.7649 8.2955 113.8804 58.4750 35.3106 176.1071 120 G 3.7281 8.0047 108.9098 45.0108 0.0000 174.5898 121 K 4.0526 8.5531 123.8207 55.7901 32.7088 175.0496 122 P 4.5093 0.0000 0.0000 62.4932 32.4292 175.6784 123 Q 4.2770 9.0512 121.8409 56.0380 30.5448 176.3774 124 G 3.9833 7.0542 104.2144 46.7111 0.0000 170.4190 125 T 4.9924 7.3504 113.8495 61.5267 71.1632 173.3311 126 C 5.3091 8.9837 121.7144 57.9429 33.1324 172.6954 127 A 4.7531 8.7920 122.9150 50.3762 20.8123 176.6855 128 R 4.4544 8.8094 121.8737 56.1722 30.9117 176.8332 129 V 4.1336 8.9923 126.7299 61.3409 32.4511 175.1189 130 D 4.8380 8.2309 127.6665 52.1861 42.4526 175.9506 131 I 3.8717 8.0034 121.0492 62.4107 38.0410 176.2571 132 G 3.9481 8.9841 116.1515 45.5837 0.0000 173.7657 133 Q 3.9927 7.8570 119.5259 55.8630 29.1673 176.1589 134 V 4.2371 7.9214 121.7233 61.4789 30.6320 175.2107 135 L 4.0850 8.3959 129.2853 57.0731 43.3395 176.4533 136 L 5.1926 7.8501 117.7827 52.7988 45.6005 175.5851 137 S 5.0226 9.4643 117.9221 56.5760 65.5913 172.6502 138 V 4.7861 9.1520 127.9889 61.1972 33.9869 174.3705 139 R 4.9231 8.7663 127.7659 55.6737 31.3528 175.3574 140 C 4.7685 9.6193 123.1377 58.1457 36.2775 172.2747 141 K 4.7920 8.4870 119.4292 54.4757 34.7773 176.5481 142 E 3.3854 8.9306 122.7934 59.3585 29.6530 178.8337 143 S 4.0012 8.0746 111.5351 61.2856 62.7182 174.7102 144 N 4.7777 8.3556 115.7280 53.1237 38.2776 176.7260 145 A 3.9739 7.9141 125.3150 55.3111 18.4584 180.5074 146 K 4.0959 8.0122 116.4690 59.7096 32.0528 178.9072 147 H 4.3641 8.3242 118.0091 59.3677 29.8762 177.0628 148 A 3.9814 7.9774 122.1182 54.8918 18.0964 179.2036 149 E 3.8465 8.3688 118.0179 59.5227 29.7682 178.7293 150 E 3.6958 8.0756 119.0884 58.9853 29.5596 178.5603 151 A 3.8615 7.5295 120.4771 55.1617 18.3379 179.6377 152 L 3.9666 8.3130 117.9202 57.8072 41.4210 179.6977 153 R 3.8268 7.9062 118.0298 59.5146 29.9032 178.4929 154 R 4.1396 8.4719 118.0727 59.1278 29.7777 178.8294 155 A 3.9295 7.8171 120.1271 54.9665 18.5896 179.5231 156 K 3.0322 7.7081 116.3404 58.7850 32.3732 178.2680 157 F 4.7033 7.1631 117.8433 57.6118 38.5293 176.1271 158 K 4.6320 7.0182 120.5733 54.7529 33.0798 175.6025 159 F 4.9513 7.6088 111.8369 55.6549 40.5445 171.6868 160 P 4.4769 0.0000 0.0000 63.8949 31.9467 175.9462 161 G 3.8363 8.0566 107.7946 44.1438 0.0000 172.4803 162 R 3.7911 7.9990 125.4403 54.4368 31.1848 174.9022 163 Q 5.1145 8.6417 123.7906 54.1389 33.6028 173.9533 164 K 4.5975 8.6249 122.0170 54.3809 35.0171 175.4865 165 I 4.4036 8.4085 128.2123 61.7516 37.9932 175.2319 166 I 4.6272 8.7667 125.5577 59.7135 42.0063 173.5231 167 H 5.1758 8.8365 126.2545 55.7849 28.9963 174.8516 168 S 4.6601 8.8487 119.7003 57.2930 64.4237 174.3558 169 R 4.0128 8.0633 120.6940 54.4795 34.2254 173.0947 170 K 3.6601 8.5215 122.9797 57.7863 32.2886 178.0940 171 W 4.6425 8.1565 124.5478 56.9931 29.3793 176.0143 172 G 3.7546 7.6194 110.0204 46.9279 0.0000 173.1642 173 F 5.4893 8.3897 116.2231 57.0656 39.9783 176.3906 174 T 4.8600 8.0507 104.6638 63.1590 70.7576 173.6288 175 K 4.3888 8.4571 123.2813 58.0902 34.4536 178.1817 176 F 4.3448 8.3209 117.4935 61.1802 39.0258 178.6324 177 T 5.0594 7.9414 109.6597 60.8434 68.5983 175.5692 178 R 4.9021 7.7887 120.7131 57.9029 37.7400 177.5349 179 E 3.9392 8.9398 117.8942 59.3988 28.9321 179.0054 180 E 3.8183 8.3361 118.8696 59.7127 29.3624 178.4389 181 Y 4.5954 7.5190 112.9182 58.2778 38.4180 177.0083 182 V 4.0972 7.4190 118.5310 63.1818 32.2162 175.9276 183 K 4.4195 7.2909 116.7196 56.0567 33.2699 175.6858 184 L 4.2048 7.8283 122.4852 55.7586 41.6310 176.5437 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 1 M 8.29 4.43 0.00 2.03 2.13 0.00 0.00 0.00 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.50 0.00 2 G 8.62 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 3 R 9.35 4.06 0.00 1.83 1.92 0.00 3.19 0.00 0.00 3.24 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.67 0.00 4 R 8.27 4.73 0.00 1.89 1.99 0.00 3.42 0.00 0.00 3.45 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.65 0.00 5 P 0.00 4.63 0.00 2.22 2.18 0.00 3.74 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 1.96 0.00 6 A 8.47 4.24 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 7 R 7.41 3.84 0.00 1.96 1.95 0.00 3.15 0.00 0.00 3.13 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.71 0.00 8 C 7.67 3.80 0.00 1.45 2.24 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 9 Y 6.65 4.63 0.00 3.03 3.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 R 7.58 4.08 0.00 2.05 2.05 0.00 3.11 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.80 0.00 11 Q 7.52 4.38 0.00 2.09 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.54 7.20 0.00 0.00 0.00 0.00 0.00 2.36 2.36 0.00 12 I 8.16 4.14 1.87 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 1.46 0.48 0.90 0.00 0.00 13 K 8.27 4.38 0.00 1.76 1.81 0.00 1.91 0.00 0.00 1.73 0.00 0.00 2.98 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.32 1.43 7.81 14 N 7.86 5.01 0.00 2.87 2.83 0.00 0.00 6.83 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 15 K 8.51 3.84 0.00 1.74 1.58 0.00 1.37 0.00 0.00 1.52 0.00 0.00 3.05 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.24 1.36 7.81 16 P 0.00 4.50 0.00 2.08 1.92 0.00 3.51 0.00 0.00 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.83 0.00 17 Y 8.63 4.62 0.00 3.05 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 18 P 0.00 5.11 0.00 2.22 2.28 0.00 3.78 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 1.90 1.93 0.00 19 K 8.07 4.40 0.00 2.02 2.06 0.00 1.71 0.00 0.00 1.93 0.00 0.00 2.98 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.59 1.50 7.81 20 S 8.74 4.21 0.00 4.04 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 21 R 8.00 3.99 0.00 1.66 1.78 0.00 3.17 0.00 0.00 3.15 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.68 0.00 22 Y 7.85 4.52 0.00 3.05 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 23 C 8.32 4.52 0.00 3.00 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 24 R 7.99 4.05 0.00 1.84 1.88 0.00 3.29 0.00 0.00 3.24 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.89 0.00 25 G 8.80 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 V 7.69 3.56 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 0.88 0.00 0.00 1.04 0.00 0.00 27 P 0.00 4.71 0.00 2.21 2.04 0.00 3.86 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 1.93 1.96 0.00 28 D 8.07 4.22 0.00 2.69 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 29 P 0.00 4.66 0.00 2.26 2.12 0.00 3.78 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 2.02 2.02 0.00 30 K 7.97 4.72 0.00 1.74 1.74 0.00 1.77 0.00 0.00 1.77 0.00 0.00 2.99 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.38 1.49 7.81 31 I 8.03 3.99 2.05 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 1.39 0.30 1.11 0.00 0.00 32 R 8.68 4.16 0.00 1.84 2.02 0.00 3.19 0.00 0.00 3.29 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.79 0.00 33 I 7.43 4.67 1.89 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 0.64 0.91 0.00 0.00 34 Y 8.79 4.59 0.00 2.90 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 35 D 8.12 5.40 0.00 2.70 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 36 V 8.83 4.28 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 1.14 0.00 0.00 1.03 0.00 0.00 37 G 9.13 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 M 8.73 4.28 0.00 2.10 2.30 0.00 0.00 0.00 0.00 0.00 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.97 2.55 0.00 39 K 7.80 5.49 0.00 1.95 1.91 0.00 1.62 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.35 1.21 7.81 40 K 7.47 4.40 0.00 1.73 1.82 0.00 1.71 0.00 0.00 1.73 0.00 0.00 3.03 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.33 1.49 7.81 41 K 7.65 4.44 0.00 1.84 1.92 0.00 1.56 0.00 0.00 1.75 0.00 0.00 2.78 0.00 0.00 2.71 0.00 0.00 0.00 0.00 1.46 1.54 7.81 42 G 9.51 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 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9.65 5.55 0.00 3.02 3.14 0.00 5.57 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 L 8.69 5.14 0.00 1.81 1.54 0.99 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 53 V 8.41 4.79 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.69 0.00 0.00 1.08 0.00 0.00 54 S 8.46 4.57 0.00 3.77 3.69 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 55 W 9.23 4.31 0.00 3.38 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 56 E 8.22 4.78 0.00 1.92 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.43 0.00 57 K 8.80 4.37 0.00 2.01 1.92 0.00 1.56 0.00 0.00 1.68 0.00 0.00 2.88 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.39 1.38 7.81 58 E 8.67 4.73 0.00 1.89 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 2.24 2.44 0.00 59 N 8.63 5.18 0.00 2.90 2.88 0.00 0.00 6.86 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 A 8.39 3.88 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 69 R 7.92 3.86 0.00 1.92 2.26 0.00 3.45 0.00 0.00 3.12 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.82 0.00 70 I 8.32 3.80 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 1.20 0.95 0.00 0.00 71 A 7.80 4.01 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 72 C 7.83 4.21 0.00 3.12 3.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 N 8.71 4.38 0.00 2.97 2.87 0.00 0.00 6.71 7.20 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 74 K 8.24 3.98 0.00 1.85 1.84 0.00 1.65 0.00 0.00 1.57 0.00 0.00 2.89 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.43 1.44 7.81 75 Y 7.81 3.78 0.00 3.21 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 76 M 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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 A 8.05 3.90 1.04 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 0.00 119 F 8.30 3.76 0.00 3.23 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 0.00 120 G 8.00 3.73 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 0.00 0.00 0.00 121 K 8.55 4.05 0.00 1.76 1.77 0.00 1.75 0.00 0.00 1.76 0.00 0.00 3.02 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.46 1.45 7.81 122 P 0.00 4.51 0.00 2.16 2.03 0.00 3.75 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 1.92 0.00 123 Q 9.05 4.28 0.00 1.89 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.97 0.00 0.00 0.00 0.00 0.00 2.25 2.35 0.00 124 G 7.05 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 0.00 0.00 0.00 125 T 7.35 4.99 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 126 C 8.98 5.31 0.00 2.96 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 0.00 127 A 8.79 4.75 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 0.00 128 R 8.81 4.45 0.00 1.86 2.18 0.00 3.13 0.00 0.00 3.13 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.70 0.00 129 V 8.99 4.13 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 0.81 0.00 0.00 0.78 0.00 0.00 130 D 8.23 4.84 0.00 2.81 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 0.00 131 I 8.00 3.87 1.81 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.87 0.85 0.00 0.00 132 G 8.98 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 0.00 0.00 0.00 133 Q 7.86 3.99 0.00 2.26 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.93 6.84 0.00 0.00 0.00 0.00 0.00 2.36 2.28 0.00 134 V 7.92 4.24 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 0.42 0.00 0.00 0.89 0.00 0.00 135 L 8.40 4.08 0.00 1.67 1.64 0.75 0.11 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 0.00 136 L 7.85 5.19 0.00 1.67 1.53 1.03 0.76 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 0.00 137 S 9.46 5.02 0.00 3.68 3.68 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 0.00 138 V 9.15 4.79 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.00 0.00 0.96 0.00 0.00 139 R 8.77 4.92 0.00 1.75 1.88 0.00 3.26 0.00 0.00 3.11 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.65 0.00 140 C 9.62 4.77 0.00 2.91 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 141 K 8.49 4.79 0.00 2.00 2.18 0.00 1.64 0.00 0.00 1.80 0.00 0.00 3.12 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.53 1.56 7.81 142 E 8.93 3.39 0.00 1.88 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 2.10 1.47 0.00 143 S 8.07 4.00 0.00 3.84 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 0.00 144 N 8.36 4.78 0.00 2.98 2.82 0.00 0.00 6.82 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 0.00 145 A 7.91 3.97 1.16 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 0.00 0.00 146 K 8.01 4.10 0.00 1.83 1.90 0.00 1.69 0.00 0.00 1.76 0.00 0.00 3.02 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.59 1.49 7.81 147 H 8.32 4.36 0.00 3.33 3.52 0.00 5.87 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 148 A 7.98 3.98 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 0.00 149 E 8.37 3.85 0.00 2.08 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.33 0.00 150 E 8.08 3.70 0.00 1.90 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 1.54 1.47 0.00 151 A 7.53 3.86 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 0.00 152 L 8.31 3.97 0.00 1.66 1.75 0.97 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 153 R 7.91 3.83 0.00 1.88 2.18 0.00 3.30 0.00 0.00 3.21 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.62 0.00 154 R 8.47 4.14 0.00 1.91 1.94 0.00 3.17 0.00 0.00 3.17 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.74 0.00 155 A 7.82 3.93 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.71 3.03 0.00 1.84 2.00 0.00 0.61 0.00 0.00 1.18 0.00 0.00 2.54 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.20 1.43 7.81 157 F 7.16 4.70 0.00 2.86 2.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 158 K 7.02 4.63 0.00 1.49 1.70 0.00 1.70 0.00 0.00 1.76 0.00 0.00 2.99 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.34 1.32 7.81 159 F 7.61 4.95 0.00 2.90 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 0.00 160 P 0.00 4.48 0.00 2.36 2.27 0.00 3.89 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 1.98 2.01 0.00 161 G 8.06 3.84 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 0.00 0.00 0.00 162 R 8.00 3.79 0.00 1.90 1.91 0.00 2.88 0.00 0.00 3.19 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.57 0.00 163 Q 8.64 5.11 0.00 2.06 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.59 6.45 0.00 0.00 0.00 0.00 0.00 2.25 2.49 0.00 164 K 8.62 4.60 0.00 1.81 1.73 0.00 1.65 0.00 0.00 1.78 0.00 0.00 2.90 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.36 1.38 7.81 165 I 8.41 4.40 1.88 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 1.25 0.64 0.96 0.00 0.00 166 I 8.77 4.63 1.91 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 1.25 0.85 1.03 0.00 0.00 167 H 8.84 5.18 0.00 3.22 3.49 0.00 5.74 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 168 S 8.85 4.66 0.00 3.59 3.55 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 0.00 169 R 8.06 4.01 0.00 1.53 1.47 0.00 3.09 0.00 0.00 3.03 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.14 0.00 170 K 8.52 3.66 0.00 1.73 0.92 0.00 1.67 0.00 0.00 1.28 0.00 0.00 2.65 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.12 1.35 7.81 171 W 8.16 4.64 0.00 1.78 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 0.00 172 G 7.62 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 0.00 173 F 8.39 5.49 0.00 2.95 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 0.00 174 T 8.05 4.86 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 0.00 175 K 8.46 4.39 0.00 1.76 1.73 0.00 1.72 0.00 0.00 1.43 0.00 0.00 2.81 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.26 1.34 7.81 176 F 8.32 4.34 0.00 3.28 3.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177 T 7.94 5.06 4.41 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 1.51 0.00 0.00 178 R 7.79 4.90 0.00 2.07 1.93 0.00 3.25 0.00 0.00 3.35 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.72 0.00 179 E 8.94 3.94 0.00 2.09 1.91 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 2.08 2.27 0.00 180 E 8.34 3.82 0.00 1.65 1.21 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 2.19 2.50 0.00 181 Y 7.52 4.60 0.00 3.06 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 0.00 182 V 7.42 4.10 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 0.80 0.00 0.00 0.99 0.00 0.00 183 K 7.29 4.42 0.00 1.51 1.74 0.00 1.72 0.00 0.00 1.67 0.00 0.00 3.09 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.33 1.40 7.81 184 L 7.83 4.20 0.00 1.74 1.60 0.85 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.