NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 7 S 4.4287 8.3193 116.7944 57.9485 64.9269 173.3952 8 S 4.3059 7.7950 115.4216 55.9787 64.7821 171.4928 9 Q 4.4789 8.6041 125.3361 54.4005 32.8617 174.0657 10 N 4.9128 9.2371 121.1782 50.9225 41.4368 174.1866 11 V 4.1976 6.8883 117.9404 61.9016 33.6688 169.5151 12 T 4.4512 7.9684 115.6332 61.9699 71.2364 173.1258 13 E 4.6360 8.5250 125.4641 54.5979 31.6105 174.8633 14 Y 4.8307 8.3424 120.8028 55.7542 40.8680 175.6744 15 V 3.8883 8.4353 123.7158 63.0232 33.0560 174.5452 16 V 4.9008 8.4144 126.6668 61.2088 33.7662 174.6403 17 R 4.5846 8.9832 126.5231 54.4734 33.5107 175.0877 18 V 4.5667 8.0490 122.1588 59.4790 32.0138 171.8752 19 P 4.1814 0.0000 0.0000 62.8281 31.7026 176.5971 20 K 4.3828 8.5659 121.4936 56.8363 33.0728 176.7351 21 N 4.7094 8.0115 114.9588 53.0463 37.6534 175.0948 22 T 4.3176 7.7423 113.7397 62.3649 68.2212 173.8114 23 T 4.5173 8.2737 115.5408 62.2888 70.9517 175.2052 24 K 4.0659 7.5563 119.3313 56.1283 32.5635 176.1447 25 K 4.6842 8.3095 121.1712 54.8756 34.3613 175.0880 26 Y 4.5462 8.7391 120.9508 56.6659 39.6982 174.4525 27 N 5.5821 8.7501 120.3653 51.5639 42.9273 173.4964 28 I 4.1338 8.4628 121.6011 59.9106 39.3914 174.5704 29 M 4.9179 8.4800 126.3883 53.9275 33.6689 174.2117 30 A 4.7366 9.1968 129.2975 50.3228 21.4549 175.3932 31 F 5.3638 8.6176 120.1407 55.3565 42.3073 174.9306 32 N 4.5456 9.0816 121.4741 53.1492 39.9150 175.5705 33 A 4.0460 8.9005 127.5937 55.2868 18.6721 179.5408 34 A 4.1084 8.8001 118.2805 55.0397 18.4680 177.9259 35 D 4.5934 8.2644 113.8562 54.3374 41.6367 176.8688 36 K 3.7855 7.7047 117.9714 57.3628 29.7979 175.0552 37 V 3.5555 7.1583 118.6335 62.3680 32.6528 174.5486 38 N 4.4570 8.2280 124.6235 51.3695 40.3769 174.5566 39 F 3.2507 7.6263 125.2422 59.4631 39.1358 177.5280 40 A 4.1397 8.1966 123.1339 54.2784 18.1759 178.0768 41 T 4.3872 7.8157 104.4783 61.3236 69.5331 174.7650 42 W 4.6608 8.2398 123.7891 56.2669 29.3839 175.5593 43 N 4.7867 9.0159 121.9729 54.6853 39.5315 175.1882 44 Q 4.8074 7.8220 113.3625 55.4330 32.0416 173.3315 45 A 4.9418 8.3009 119.8502 50.9965 22.3390 175.7051 46 R 4.6495 8.9133 119.3265 54.2746 33.5678 175.2231 47 L 5.0658 8.4342 123.9351 53.7379 44.5774 174.9743 48 E 5.2303 9.2660 125.0946 54.6084 34.5174 175.3005 49 R 4.1339 8.5577 121.1340 56.2388 31.0246 175.6449 50 D 4.5981 8.9076 124.2710 53.2183 41.6190 175.9397 51 L 4.4084 8.4731 125.0189 54.6852 42.1816 178.4951 52 S 4.0526 7.8354 115.8620 62.1020 63.3224 175.7549 53 N 4.6738 7.6915 116.8321 52.6821 37.6145 174.8572 54 K 4.3152 7.8819 120.6564 57.6288 34.9142 177.4856 55 K 4.0459 7.9705 114.0922 56.6499 31.5331 176.5328 56 I 3.6896 7.0554 120.0585 61.8973 38.1404 175.1583 57 Y 4.7926 7.7448 115.1773 57.7935 40.4814 172.5817 58 Q 4.7241 8.0709 124.8628 53.9553 31.6870 174.7004 59 E 5.0139 8.9000 124.0695 55.9569 30.9104 175.8110 60 E 4.9948 8.4642 119.3563 55.6939 32.6134 175.5896 61 E 3.5253 8.4703 128.2860 57.8098 30.3138 175.0028 62 M 4.4075 8.8600 118.5362 55.9667 32.2639 176.2849 *73 R 4.1361 8.4487 113.6374 55.3390 32.3016 174.9328 74 K 4.7346 8.1084 118.4503 54.0779 35.9840 176.2167 75 L 4.1594 8.0766 119.8096 54.5133 42.3857 178.5565 76 R 3.9548 8.8266 123.3578 59.5122 30.0409 177.9584 77 E 4.1522 8.1166 113.1876 57.8404 29.9129 176.5597 78 E 4.4235 8.4135 119.8203 55.9764 29.9914 175.2561 79 A 4.8593 7.6850 120.1676 51.5946 19.2065 178.5088 80 R 3.8428 8.1162 118.7786 59.0130 30.0800 177.2267 81 R 4.2970 7.2670 118.9329 55.1356 30.8347 175.9166 82 K 4.5012 8.5043 124.1670 55.3248 34.0462 175.5973 83 K 4.6910 8.3303 119.4118 55.3346 33.7401 175.3985 84 Y 5.0353 8.8979 122.2523 56.4870 41.3243 175.4988 85 G 4.3302 9.0143 108.2204 45.2527 0.0000 170.6892 86 I 5.3300 8.1950 113.2360 58.8760 40.1643 174.7732 87 V 4.3588 8.5610 127.1149 61.2280 33.8514 174.2596 88 L 4.1888 8.4779 128.9072 53.4855 42.6849 176.1761 89 K 3.9554 8.6844 126.6855 56.9570 32.1803 177.6171 90 E 4.2301 8.4235 127.4751 55.1877 27.7778 175.6242 91 F 4.4533 7.8540 120.6477 55.8198 41.4341 175.4425 92 R 4.7903 8.4058 120.5713 53.5883 32.4999 175.8739 93 P 4.3151 0.0000 0.0000 65.3828 31.5479 178.4191 94 E 3.9878 8.1880 118.1307 59.2188 29.4936 177.6300 95 D 4.5925 8.0072 117.3213 55.6815 41.4858 176.9234 96 Q 3.8921 7.2232 119.9180 55.6508 29.7050 174.2733 97 P 4.6212 0.0000 0.0000 62.2105 33.2059 175.1438 98 W 5.0753 8.7174 121.8524 55.5816 31.5210 175.2957 99 L 5.1930 9.5768 125.7795 53.4278 44.2284 174.7090 100 L 5.0080 9.4403 130.0798 53.7728 43.9127 175.1748 101 R 4.9535 8.9486 126.2465 54.5060 32.9142 175.0061 102 V 3.7714 8.5510 125.5532 62.0720 32.9462 173.5707 103 N 4.1226 8.7138 127.2584 54.7894 35.7813 175.0301 104 G 3.6842 7.9540 109.2824 45.6268 0.0000 170.5247 105 K 3.7380 8.6602 118.0113 59.2957 31.8869 177.9300 106 S 4.5909 7.9650 109.7474 57.9214 63.1415 173.8797 107 G 4.5256 7.4107 109.0837 44.7901 0.0000 174.1452 108 R 4.1941 8.2706 117.8118 56.2570 31.4561 176.4165 109 K 5.0981 7.9789 119.5052 54.8571 36.5927 175.3239 110 F 5.4349 9.7237 122.2580 55.6431 43.6729 173.5547 111 K 5.0102 9.4404 123.3976 54.6315 34.7990 174.8562 112 G 3.2631 9.0306 114.6870 44.0680 0.0000 171.9410 113 I 4.9181 8.1780 126.3357 58.8142 40.1434 175.2496 114 K 4.1222 8.9053 127.7478 56.8560 32.3073 176.2121 115 K 4.1474 9.0745 128.9755 55.6730 33.0177 177.9647 116 G 3.2671 8.8159 114.1136 46.6011 0.0000 175.0851 117 G 3.7516 7.2391 108.2421 44.8432 0.0000 172.9789 118 V 4.0432 8.0578 118.3629 61.9665 32.6511 175.1431 119 T 4.5395 8.2202 125.3682 62.4864 69.8174 173.4418 120 E 4.6978 8.8356 132.0624 56.4367 37.2742 175.9584 121 N 4.9930 9.3837 120.7936 53.5830 40.6644 173.8292 122 T 4.7280 7.4826 107.3851 60.5160 71.8550 172.4608 123 S 4.6035 8.1141 115.1924 57.5942 65.9708 172.6995 124 Y 5.0063 8.5066 117.9468 57.1208 39.9404 174.5339 125 Y 5.1438 8.9031 118.6717 56.4334 42.3924 174.6461 126 I 4.6162 9.0531 123.4739 60.0689 39.2987 174.5673 127 F 5.3488 9.2289 126.0450 56.0976 40.6639 175.2041 128 T 4.7726 9.2390 113.5512 59.8356 72.4056 172.3501 129 Q 4.5442 8.3466 122.6747 54.4561 31.3684 174.4624 130 C 4.6870 9.0187 123.6043 57.5007 30.6489 173.2658 131 P 4.2489 0.0000 0.0000 65.8091 30.9881 177.6982 132 D 4.4859 7.9840 114.5317 54.1341 39.3733 176.5565 133 G 4.0462 8.1671 108.8241 45.3600 0.0000 173.9736 134 A 4.8086 7.8069 120.1319 51.6104 20.5074 176.2366 135 F 5.0753 9.2397 117.8579 56.1637 41.6228 175.2077 136 E 4.9898 9.2952 121.4481 54.4373 32.6921 174.7446 137 A 4.9095 7.9086 125.5756 49.9953 21.7092 175.6983 138 F 4.8063 8.8246 118.6450 54.7441 43.3969 172.8119 139 P 3.7705 0.0000 0.0000 62.3169 32.2156 175.8790 140 V 3.8289 8.2562 123.1522 63.2728 31.5230 175.0182 141 H 4.6309 10.0314 131.1380 58.3238 29.5540 174.5889 142 N 5.2163 9.0195 113.2355 51.1196 43.8419 172.4704 143 W 5.1482 8.3725 129.3625 55.9202 33.9194 173.4438 144 Y 5.3430 9.3526 124.6741 56.3613 41.3818 174.1870 145 N 5.2854 9.0585 121.0774 52.0229 40.5467 173.8651 146 F 5.4692 9.3781 123.7195 55.9768 40.9740 175.4736 147 T 5.1616 9.0348 112.5755 59.1618 72.7748 171.3683 148 P 4.3470 0.0000 0.0000 63.0909 32.0501 177.1905 149 L 3.9499 8.9630 125.2683 58.0456 42.2220 179.0625 150 A 4.0380 7.9090 120.1111 54.5811 18.3602 178.0707 151 R 4.1301 7.8438 113.2073 57.2037 30.4650 176.3576 152 H 4.6932 7.9809 116.3285 53.6332 28.6321 174.8308 153 R 4.1142 8.3649 119.9349 56.2486 29.4190 176.8256 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 7 S 8.32 4.43 0.00 3.87 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 8 S 7.80 4.31 0.00 3.99 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 Q 8.60 4.48 0.00 1.97 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.86 0.00 0.00 0.00 0.00 0.00 2.23 2.34 0.00 10 N 9.24 4.91 0.00 2.69 2.67 0.00 0.00 6.95 7.71 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 11 V 6.89 4.20 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 0.69 0.00 0.00 0.94 0.00 0.00 12 T 7.97 4.45 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 0.53 0.00 0.00 13 E 8.53 4.64 0.00 1.85 1.81 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 2.18 2.24 0.00 14 Y 8.34 4.83 0.00 2.88 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 15 V 8.44 3.89 2.17 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 1.04 0.00 0.00 0.97 0.00 0.00 16 V 8.41 4.90 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 0.83 0.00 0.00 1.02 0.00 0.00 17 R 8.98 4.58 0.00 1.68 1.69 0.00 3.10 0.00 0.00 3.10 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.53 0.00 18 V 8.05 4.57 1.97 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 0.79 0.00 0.00 0.72 0.00 0.00 19 P 0.00 4.18 0.00 2.06 2.19 0.00 3.09 0.00 0.00 3.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 2.01 0.00 20 K 8.57 4.38 0.00 1.74 1.86 0.00 1.73 0.00 0.00 1.75 0.00 0.00 3.06 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.36 1.47 7.81 21 N 8.01 4.71 0.00 2.86 2.94 0.00 0.00 6.03 7.71 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 22 T 7.74 4.32 4.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 23 T 8.27 4.52 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 1.24 0.00 0.00 24 K 7.56 4.07 0.00 1.74 1.41 0.00 1.44 0.00 0.00 1.32 0.00 0.00 2.84 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.33 1.33 7.81 25 K 8.31 4.68 0.00 1.76 1.78 0.00 1.54 0.00 0.00 1.68 0.00 0.00 3.03 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.31 1.43 7.81 26 Y 8.74 4.55 0.00 3.09 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 27 N 8.75 5.58 0.00 2.63 3.04 0.00 0.00 7.03 7.45 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 28 I 8.46 4.13 1.04 0.00 0.00 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.02 -0.33 0.00 0.00 29 M 8.48 4.92 0.00 1.79 1.69 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 1.76 0.00 30 A 9.20 4.74 1.44 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 0.00 0.00 0.00 0.00 0.00 0.00 31 F 8.62 5.36 0.00 2.87 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 32 N 9.08 4.55 0.00 2.86 3.03 0.00 0.00 7.08 7.96 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 33 A 8.90 4.05 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 34 A 8.80 4.11 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 35 D 8.26 4.59 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 36 K 7.70 3.79 0.00 1.86 1.85 0.00 1.71 0.00 0.00 1.63 0.00 0.00 2.96 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.41 1.54 7.81 37 V 7.16 3.56 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 -0.33 0.00 0.00 0.54 0.00 0.00 38 N 8.23 4.46 0.00 2.60 2.58 0.00 0.00 7.22 7.71 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 39 F 7.63 3.25 0.00 2.89 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 40 A 8.20 4.14 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 41 T 7.82 4.39 4.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 42 W 8.24 4.66 0.00 3.41 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 43 N 9.02 4.79 0.00 2.88 2.89 0.00 0.00 6.86 7.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 Q 7.82 4.81 0.00 2.04 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.77 0.00 0.00 0.00 0.00 0.00 2.29 2.29 0.00 45 A 8.30 4.94 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 R 8.91 4.65 0.00 1.69 1.81 0.00 3.23 0.00 0.00 3.08 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.66 0.00 47 L 8.43 5.07 0.00 1.42 1.35 0.75 0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.37 0.00 0.00 0.00 0.00 0.00 0.00 48 E 9.27 5.23 0.00 2.04 1.84 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 2.31 2.38 0.00 49 R 8.56 4.13 0.00 1.49 1.55 0.00 2.57 0.00 0.00 2.25 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 1.13 0.00 50 D 8.91 4.60 0.00 2.62 2.52 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 0.00 51 L 8.47 4.41 0.00 1.70 1.60 0.88 1.06 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 52 S 7.84 4.05 0.00 3.93 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 N 7.69 4.67 0.00 2.55 2.65 0.00 0.00 6.59 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 54 K 7.88 4.32 0.00 1.64 1.86 0.00 1.59 0.00 0.00 1.61 0.00 0.00 2.84 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.26 1.31 7.81 55 K 7.97 4.05 0.00 1.78 1.82 0.00 1.82 0.00 0.00 1.63 0.00 0.00 2.88 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.43 1.40 7.81 56 I 7.06 3.69 1.82 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 1.33 0.77 0.89 0.00 0.00 57 Y 7.74 4.79 0.00 2.89 2.78 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 58 Q 8.07 4.72 0.00 2.31 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.88 6.81 0.00 0.00 0.00 0.00 0.00 2.34 2.44 0.00 59 E 8.90 5.01 0.00 2.00 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 2.30 2.33 0.00 60 E 8.46 4.99 0.00 2.05 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 2.03 2.04 0.00 61 E 8.47 3.53 0.00 1.27 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 0.00 2.11 2.22 0.00 62 M 8.86 4.41 0.00 2.03 1.81 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.51 0.00 *73 R 8.45 4.14 0.00 1.85 1.94 0.00 3.31 0.00 0.00 3.22 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.60 0.00 74 K 8.11 4.73 0.00 1.67 1.67 0.00 1.64 0.00 0.00 1.71 0.00 0.00 3.04 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.32 1.47 7.81 75 L 8.08 4.16 0.00 1.76 1.59 0.92 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 76 R 8.83 3.95 0.00 1.84 1.94 0.00 3.17 0.00 0.00 3.39 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.64 0.00 77 E 8.12 4.15 0.00 2.12 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 2.30 0.00 78 E 8.41 4.42 0.00 1.89 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.24 0.00 79 A 7.69 4.86 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 80 R 8.12 3.84 0.00 1.94 2.10 0.00 3.04 0.00 0.00 3.16 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.64 0.00 81 R 7.27 4.30 0.00 1.70 1.89 0.00 3.25 0.00 0.00 3.23 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.62 0.00 82 K 8.50 4.50 0.00 2.19 1.91 0.00 2.02 0.00 0.00 1.76 0.00 0.00 3.10 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.46 1.57 7.81 83 K 8.33 4.69 0.00 1.68 1.74 0.00 1.60 0.00 0.00 1.82 0.00 0.00 2.82 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.47 1.46 7.81 84 Y 8.90 5.04 0.00 2.75 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 85 G 9.01 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 0.00 0.00 0.00 0.00 86 I 8.20 5.33 1.95 0.00 0.00 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 1.71 0.97 0.00 0.00 87 V 8.56 4.36 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 0.98 0.00 0.00 1.03 0.00 0.00 88 L 8.48 4.19 0.00 1.68 1.54 -0.18 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 89 K 8.68 3.96 0.00 1.93 2.13 0.00 1.95 0.00 0.00 1.69 0.00 0.00 3.04 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.54 1.56 7.81 90 E 8.42 4.23 0.00 1.89 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.29 0.00 91 F 7.85 4.45 0.00 3.06 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 92 R 8.41 4.79 0.00 1.99 1.82 0.00 3.02 0.00 0.00 3.41 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.62 0.00 93 P 0.00 4.32 0.00 2.12 2.26 0.00 3.71 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 1.98 0.00 94 E 8.19 3.99 0.00 2.02 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 2.35 2.36 0.00 95 D 8.01 4.59 0.00 2.93 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 Q 7.22 3.89 0.00 1.96 1.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.95 0.00 0.00 0.00 0.00 0.00 2.19 2.53 0.00 97 P 0.00 4.62 0.00 2.04 1.88 0.00 3.67 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.03 0.00 98 W 8.72 5.08 0.00 3.07 3.09 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 99 L 9.58 5.19 0.00 1.75 1.70 1.06 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 100 L 9.44 5.01 0.00 1.91 1.85 0.90 0.62 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 0.00 101 R 8.95 4.95 0.00 1.74 1.77 0.00 3.15 0.00 0.00 3.10 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.56 0.00 102 V 8.55 3.77 1.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 -0.24 0.00 0.00 103 N 8.71 4.12 0.00 2.87 2.80 0.00 0.00 7.22 7.21 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 0.00 104 G 7.95 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 0.00 0.00 0.00 105 K 8.66 3.74 0.00 1.68 1.87 0.00 1.63 0.00 0.00 1.74 0.00 0.00 3.16 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.42 1.52 7.81 106 S 7.97 4.59 0.00 3.97 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 0.00 107 G 7.41 4.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 R 8.27 4.19 0.00 1.71 1.52 0.00 3.11 0.00 0.00 3.48 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.62 0.00 109 K 7.98 5.10 0.00 1.54 1.61 0.00 1.56 0.00 0.00 1.80 0.00 0.00 2.79 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.37 1.54 7.81 110 F 9.72 5.43 0.00 3.29 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 0.00 111 K 9.44 5.01 0.00 1.67 1.31 0.00 1.43 0.00 0.00 1.23 0.00 0.00 2.80 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.19 1.28 7.81 112 G 9.03 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 0.00 0.00 0.00 113 I 8.18 4.92 1.90 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 1.11 1.02 0.93 0.00 0.00 114 K 8.91 4.12 0.00 1.80 1.69 0.00 1.79 0.00 0.00 1.59 0.00 0.00 2.79 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.13 0.95 7.81 115 K 9.07 4.15 0.00 1.73 1.65 0.00 0.61 0.00 0.00 0.61 0.00 0.00 2.31 0.00 0.00 2.32 0.00 0.00 0.00 0.00 1.26 1.07 7.81 116 G 8.82 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 0.00 0.00 0.00 117 G 7.24 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 0.00 118 V 8.06 4.04 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 0.83 0.00 0.00 0.92 0.00 0.00 119 T 8.22 4.54 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 1.22 0.00 0.00 120 E 8.84 4.70 0.00 1.90 1.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.30 0.00 121 N 9.38 4.99 0.00 2.65 2.78 0.00 0.00 6.59 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 0.00 122 T 7.48 4.73 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 1.16 0.00 0.00 123 S 8.11 4.60 0.00 4.04 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 0.00 124 Y 8.51 5.01 0.00 3.18 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 0.00 125 Y 8.90 5.14 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 0.00 126 I 9.05 4.62 1.89 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 1.10 1.01 0.00 0.00 127 F 9.23 5.35 0.00 2.95 3.31 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 0.00 128 T 9.24 4.77 4.27 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 1.32 0.00 0.00 129 Q 8.35 4.54 0.00 1.20 1.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.60 6.87 0.00 0.00 0.00 0.00 0.00 2.02 1.91 0.00 130 C 9.02 4.69 0.00 3.07 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 0.00 131 P 0.00 4.25 0.00 2.04 2.11 0.00 3.68 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.06 0.00 132 D 7.98 4.49 0.00 2.81 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 0.00 133 G 8.17 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 0.00 0.00 0.00 134 A 7.81 4.81 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 0.00 135 F 9.24 5.08 0.00 3.01 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 0.00 136 E 9.30 4.99 0.00 1.94 1.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.22 0.00 137 A 7.91 4.91 0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 138 F 8.82 4.81 0.00 2.07 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 0.00 0.00 0.00 0.00 139 P 0.00 3.77 0.00 1.82 1.38 0.00 3.75 0.00 0.00 3.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.89 0.00 140 V 8.26 3.83 2.26 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 0.83 0.00 0.00 1.02 0.00 0.00 141 H 10.03 4.63 0.00 3.22 3.69 0.00 5.77 0.00 0.00 0.00 0.00 6.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 142 N 9.02 5.22 0.00 2.92 2.20 0.00 0.00 6.57 8.26 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 0.00 143 W 8.37 5.15 0.00 3.38 2.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 144 Y 9.35 5.34 0.00 3.18 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 0.00 145 N 9.06 5.29 0.00 2.72 2.83 0.00 0.00 6.68 7.42 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 0.00 146 F 9.38 5.47 0.00 2.19 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 0.00 147 T 9.03 5.16 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 1.36 0.00 0.00 148 P 0.00 4.35 0.00 2.08 1.88 0.00 3.76 0.00 0.00 4.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.10 0.00 149 L 8.96 3.95 0.00 1.68 1.62 0.91 1.10 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 0.00 150 A 7.91 4.04 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 0.00 151 R 7.84 4.13 0.00 1.93 1.95 0.00 3.18 0.00 0.00 3.28 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.62 0.00 152 H 7.98 4.69 0.00 3.20 3.29 0.00 5.85 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 153 R 8.36 4.11 0.00 1.92 1.92 0.00 3.06 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.63 0.00 * Residues marked with a * may have inaccurate shift predictions.