NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.5146 8.1627 120.6276 55.2411 34.0316 174.0629 2 K 4.2717 8.6194 128.0414 55.3895 33.7323 170.2589 3 V 4.7778 9.1552 127.2519 61.2326 35.7932 172.9548 4 Y 4.9246 8.7731 123.2194 56.0818 40.4320 174.9914 5 K 4.9451 8.2827 122.9468 53.9738 36.2994 175.1662 6 D 4.8034 8.7994 124.0171 54.5716 41.5985 177.6436 7 V 3.7690 8.4664 119.5049 63.7491 31.3259 177.2541 8 F 4.7769 8.3069 118.0793 58.5038 39.9746 176.6044 9 T 4.3802 8.3619 108.5287 60.9510 69.8495 175.2280 10 N 4.6124 8.5621 117.7907 53.6580 36.8077 174.0909 11 D 4.5598 7.9401 119.1572 54.2073 41.4824 175.4714 12 E 4.5855 8.6077 122.4174 56.1874 30.2454 177.0287 13 V 4.2099 8.0804 114.9272 60.7929 33.9297 174.3216 14 C 3.4548 6.6263 118.6882 58.7761 35.1857 171.6546 15 S 5.1366 8.0630 114.6787 57.5227 65.8099 174.6191 16 D 4.8520 9.2490 118.4807 55.4436 40.2244 178.2380 17 S 4.2477 8.5468 115.3734 59.9987 63.1470 173.7001 18 Y 4.5860 7.6418 118.1569 55.5868 39.9674 174.9945 19 N 4.5039 8.7651 123.2956 53.5738 39.7709 174.0024 20 Q 4.7662 8.4288 124.4237 55.3383 30.3297 174.5838 21 E 4.9094 9.4123 121.7043 54.1985 34.4817 174.5113 22 D 4.9331 8.6206 120.5525 53.4798 42.2018 174.7995 23 P 4.2626 0.0000 0.0000 64.1504 31.6011 176.3359 24 F 3.9720 8.9705 119.7208 57.1697 37.0755 175.8801 25 G 3.8811 8.4678 106.6319 46.2725 0.0000 174.4856 26 I 4.1616 7.9755 121.9213 59.1857 37.1442 176.0967 27 A 4.2718 8.5103 130.2539 54.6786 17.9157 178.5231 28 D 4.4331 7.9346 115.2219 56.5767 41.1935 177.7702 29 F 5.0380 8.1832 117.7086 58.6100 39.3163 177.5058 30 R 4.7237 7.9115 120.3792 58.8503 29.4625 177.7297 31 E 4.1016 8.4529 118.2315 58.4102 29.9112 176.8772 32 I 4.8389 8.0892 109.0698 60.3093 39.5115 174.8836 33 A 5.2298 8.0311 123.3071 51.5444 23.0650 175.3006 34 F 5.4837 8.4479 113.5900 55.5714 42.1089 173.0392 35 E 5.4352 9.4736 116.7264 54.9733 33.3155 174.8824 36 V 5.0272 8.8140 112.9531 59.5641 36.1781 174.5463 37 K 4.6629 8.8168 125.4571 55.7319 32.9280 176.4940 38 S 4.9244 8.7358 122.6759 57.6913 65.1878 172.5861 39 N 5.2056 9.3739 116.3861 51.2473 43.2518 174.5022 40 K 4.6633 8.6215 119.4912 56.8282 33.1145 176.7255 41 R 4.6893 8.9058 122.2268 54.8429 33.9797 173.5481 42 I 4.5754 8.4105 125.6560 60.1505 38.9081 175.9354 43 K 3.7591 8.9017 126.6033 57.4424 29.3099 175.1704 44 G 3.8091 7.7687 105.2541 43.5111 0.0000 168.0864 45 N 5.1133 6.9106 125.2644 52.0531 40.5946 173.5738 *60 G 3.8036 8.3301 112.1066 46.0451 0.0000 172.2851 61 M 4.5755 8.2958 118.2427 53.7866 34.1152 176.6032 62 G 4.0159 9.6619 104.1911 45.7426 0.0000 172.3073 63 A 4.6133 7.7080 119.4847 50.9907 21.9481 176.5432 64 D 4.3461 8.7701 119.8779 56.5123 41.0494 177.0004 65 V 4.0447 7.5307 119.2260 60.8547 32.0615 174.1525 66 E 4.3609 8.4352 129.6350 55.1440 30.3975 174.7648 67 Q 4.8726 8.5721 126.9700 55.5638 30.0129 175.8275 68 V 4.6311 8.8566 116.4202 59.9874 37.2743 173.8365 69 I 4.6982 8.1093 121.6886 60.1127 38.5728 176.8936 70 D 4.3470 9.2373 128.2767 56.8925 39.0563 179.2045 71 I 3.3798 7.4142 120.8920 63.6691 36.9349 178.3773 72 V 3.3385 7.1878 118.3630 65.9836 31.2845 177.4477 73 D 4.2354 8.0218 117.6959 57.2318 40.8643 178.0069 74 S 3.9255 8.3058 112.7646 61.0554 62.4230 175.3546 75 F 4.6204 7.6646 116.8358 56.0147 39.8933 175.8953 76 Q 3.4650 7.4040 116.0542 57.0249 26.3969 173.4800 77 L 4.7710 8.0347 116.4374 54.5674 43.9184 178.3599 78 T 4.8851 8.8797 117.7041 61.6161 71.7250 174.0552 79 S 4.0718 8.8250 121.2521 58.5911 63.2532 173.4853 80 T 4.7396 8.9563 116.2033 60.6386 70.8466 172.9090 81 S 5.0435 8.3220 121.7604 56.8075 65.7379 172.8861 82 L 4.3702 7.8267 120.1594 52.9000 44.5459 175.1855 83 S 4.4570 8.2631 119.3417 57.8977 65.0896 175.2444 84 K 2.4800 8.1383 123.3065 58.9371 31.8207 178.9254 85 K 3.8214 7.7327 119.3454 59.6317 32.1576 178.4542 86 E 3.9522 8.2251 118.8632 59.4978 29.3074 178.7759 87 Y 4.0095 8.2383 120.1186 60.6471 38.9136 178.1405 88 S 3.9788 8.3456 115.5889 61.3673 62.9884 176.8433 89 V 3.4370 7.6944 121.6799 65.8232 31.2630 177.1873 90 Y 3.9546 8.0751 119.5982 60.9017 38.5120 178.1717 91 I 3.1338 7.8872 119.5859 63.4739 37.8220 177.6983 92 K 3.8183 7.7383 120.5556 59.6380 31.9651 178.6239 93 N 4.4338 7.8766 116.4661 56.3448 38.3097 176.8164 94 Y 3.9074 7.8821 121.2986 60.8995 38.7111 178.1011 95 M 4.1986 8.2919 119.8039 58.5100 31.9774 178.7771 96 Q 3.9866 7.8517 118.3154 58.7635 28.8731 178.7114 97 K 3.8736 8.1786 120.8727 59.4512 32.1867 178.9977 98 I 3.7296 7.7340 120.2038 64.3537 36.9449 178.3237 99 L 4.0118 8.1067 120.0181 57.6651 41.3077 179.5460 100 K 3.9270 8.3464 119.6962 59.6925 32.1490 178.2120 101 Y 4.0650 8.1676 119.7862 60.7365 38.6469 178.0801 102 L 3.7910 8.4921 120.3436 57.6844 41.4771 179.1989 103 E 3.9373 8.0563 117.7031 59.5580 29.4602 178.9964 104 E 4.0812 7.7324 117.4471 58.2923 29.6835 178.3863 105 K 4.3576 7.6777 116.1509 55.9604 35.5816 176.9189 106 K 4.6023 7.9573 118.4635 52.8349 33.0489 175.0904 107 P 4.2431 0.0000 0.0000 65.9891 31.1360 177.7244 108 D 4.5087 8.0516 116.6542 55.1672 39.8842 177.3477 109 R 4.4263 8.1320 119.0891 56.6383 30.7716 178.1494 110 V 3.6638 7.3029 119.2622 66.3501 31.4643 177.6658 111 D 4.3571 8.0620 117.6928 57.3245 40.7138 178.7437 112 V 3.6167 7.8086 118.2123 65.9365 31.5630 177.3455 113 F 4.1415 8.3151 120.3233 61.3779 39.0116 176.7425 114 K 3.8413 7.9364 117.5729 59.9586 32.0112 178.5702 115 T 4.0077 7.7273 114.3822 66.7064 68.9476 176.6812 116 K 4.2193 8.8353 119.7385 58.1049 32.1408 179.2227 117 A 3.7594 7.9594 122.2331 54.9742 18.1083 179.1896 118 Q 3.8979 8.0275 116.2900 58.9601 28.8338 177.8006 119 P 4.3845 0.0000 0.0000 65.5959 31.3556 178.2145 120 L 2.9566 7.3518 118.9453 57.8224 41.9566 178.9718 121 I 3.6710 7.8032 120.0356 64.2082 36.9240 178.3250 122 K 4.0320 8.4569 120.9720 59.6644 31.7379 178.3829 123 H 4.1021 7.8962 117.8538 59.1318 30.1625 177.0888 124 I 3.6807 7.6380 121.5181 64.2577 36.9397 178.3168 125 L 4.1810 8.3596 120.0997 58.4450 41.3213 179.6351 126 T 3.9993 8.0218 114.3757 65.7989 68.5579 174.6799 127 N 4.9958 7.8398 117.1174 52.5238 39.8221 176.5380 128 F 4.2196 8.5063 123.0013 61.8115 39.3644 177.2037 129 D 4.5007 8.2382 117.3413 56.6507 40.6865 176.8166 130 D 4.3916 8.0104 117.8011 55.0740 41.1594 176.0498 131 F 4.9764 7.3546 117.5688 55.7703 41.2729 174.9558 132 E 4.4655 8.6253 120.0759 54.5095 33.2164 175.0733 133 F 5.2236 7.8116 116.0124 55.9560 43.3710 173.8023 134 Y 5.1490 8.7778 118.5175 56.6852 41.8453 174.6999 135 M 4.6830 9.2546 123.5277 53.9430 35.1166 177.0389 136 G 4.2769 8.2674 109.5684 44.5952 0.0000 173.5260 137 E 3.9765 8.9386 118.9561 59.5727 29.4498 178.8345 138 S 4.2980 9.0528 113.0650 59.0470 63.0818 173.8416 139 L 3.5356 7.6596 119.4025 55.5020 39.6499 174.7627 140 D 4.6258 7.9016 118.4414 53.2029 40.6249 176.2915 141 M 4.2107 8.6144 126.4831 57.1038 31.9883 176.9377 142 D 4.8461 9.1220 117.9229 54.0751 42.1404 176.2579 143 A 4.8724 7.8476 123.0215 50.7246 21.2073 177.1406 144 G 3.6205 8.8908 104.7871 45.7444 0.0000 173.1432 145 L 4.7920 7.9357 120.4716 52.9521 44.5084 175.8555 146 T 4.3204 8.4515 118.7976 62.1636 70.8686 173.3419 147 Y 4.8757 8.5224 123.2579 56.5599 40.6463 174.7073 148 S 4.7577 8.7112 116.4771 56.8139 65.8909 172.2182 149 Y 4.9855 8.2358 122.6549 56.2216 41.8234 172.6990 150 Y 4.4587 8.5141 117.7112 56.0190 39.9553 175.4653 151 K 4.4885 8.6006 125.9172 56.7774 34.5037 176.4168 152 G 4.2813 8.3344 115.0129 47.2097 0.0000 173.3216 153 E 4.5802 8.8812 121.3072 55.6042 29.5417 175.5789 154 E 4.1791 8.3876 119.2998 57.0184 29.8508 177.4859 155 V 4.4121 8.3079 113.0549 61.4597 32.5763 176.0579 156 T 4.7812 7.5053 109.3605 58.8333 71.8550 171.7437 157 P 3.9228 0.0000 0.0000 62.4953 33.3600 174.6744 158 R 4.9661 7.9716 119.5268 54.4478 32.8828 175.1782 159 F 4.9109 9.2077 122.0715 55.6472 41.5851 174.6673 160 V 4.7391 8.8799 123.9124 61.3015 34.0597 173.9334 161 Y 4.8251 8.4276 124.3130 56.1583 41.9102 175.0340 162 I 4.3420 8.4427 124.1551 59.9279 37.7894 176.5253 163 S 4.3057 9.0427 124.1571 61.4968 62.9103 176.5093 164 D 4.5362 8.3615 118.7501 55.9393 40.9170 176.8033 165 G 4.0990 8.2296 107.5703 44.7421 0.0000 172.9203 166 L 5.4948 7.7728 119.0128 52.8572 45.5738 175.3648 167 Y 5.0289 8.6750 118.2640 55.4223 41.7269 174.0967 168 E 4.6195 8.8704 119.8913 55.5019 31.2605 175.3014 169 E 4.6857 8.6097 123.0602 54.4102 33.7756 173.5371 170 K 4.7341 8.3640 126.3817 54.0801 34.4143 175.8612 171 F 4.2676 8.0831 123.8502 58.1018 38.8294 175.0363 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 8.16 4.51 0.00 2.28 2.06 0.00 0.00 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.72 2.71 0.00 2 K 8.62 4.27 0.00 1.87 1.79 0.00 1.66 0.00 0.00 1.66 0.00 0.00 3.22 0.00 0.00 2.66 0.00 0.00 0.00 0.00 0.87 1.22 7.81 3 V 9.16 4.78 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 1.01 0.00 0.00 1.07 0.00 0.00 4 Y 8.77 4.92 0.00 2.72 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 5 K 8.28 4.95 0.00 0.79 1.28 0.00 1.57 0.00 0.00 1.61 0.00 0.00 2.69 0.00 0.00 2.71 0.00 0.00 0.00 0.00 1.12 0.93 7.81 6 D 8.80 4.80 0.00 2.77 2.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 V 8.47 3.77 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 0.00 0.00 0.47 0.00 0.00 -0.83 0.00 0.00 8 F 8.31 4.78 0.00 3.25 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 9 T 8.36 4.38 4.32 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 1.33 0.00 0.00 10 N 8.56 4.61 0.00 2.98 3.13 0.00 0.00 7.01 7.62 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 11 D 7.94 4.56 0.00 2.77 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 12 E 8.61 4.59 0.00 2.16 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 2.25 2.36 0.00 13 V 8.08 4.21 2.21 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 0.76 0.00 0.00 0.93 0.00 0.00 14 C 6.63 3.45 0.00 1.94 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 0.00 0.00 0.00 15 S 8.06 5.14 0.00 4.28 4.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 D 9.25 4.85 0.00 2.61 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 17 S 8.55 4.25 0.00 3.90 3.66 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 18 Y 7.64 4.59 0.00 3.02 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 19 N 8.77 4.50 0.00 2.70 2.77 0.00 0.00 7.12 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 20 Q 8.43 4.77 0.00 1.82 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.75 6.56 0.00 0.00 0.00 0.00 0.00 1.86 2.10 0.00 21 E 9.41 4.91 0.00 1.89 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 2.26 2.31 0.00 22 D 8.62 4.93 0.00 2.67 2.75 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 23 P 0.00 4.26 0.00 2.12 2.08 0.00 3.99 0.00 0.00 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.17 0.00 24 F 8.97 3.97 0.00 3.33 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 25 G 8.47 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 0.00 0.00 0.00 26 I 7.98 4.16 2.11 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 1.16 1.16 0.36 0.00 0.00 27 A 8.51 4.27 1.33 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 28 D 7.93 4.43 0.00 2.34 2.59 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 29 F 8.18 5.04 0.00 3.30 3.03 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 0.00 0.00 0.00 30 R 7.91 4.72 0.00 2.21 2.10 0.00 3.54 0.00 0.00 3.41 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.65 0.00 31 E 8.45 4.10 0.00 2.07 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 2.37 2.54 0.00 32 I 8.09 4.84 2.06 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.74 1.12 0.00 0.00 33 A 8.03 5.23 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 34 F 8.45 5.48 0.00 3.12 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 35 E 9.47 5.44 0.00 2.15 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 2.34 2.32 0.00 36 V 8.81 5.03 2.27 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 0.98 0.00 0.00 1.10 0.00 0.00 37 K 8.82 4.66 0.00 1.78 1.78 0.00 1.63 0.00 0.00 1.73 0.00 0.00 2.93 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.41 1.53 7.81 38 S 8.74 4.92 0.00 4.02 3.93 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 39 N 9.37 5.21 0.00 2.85 2.71 0.00 0.00 7.45 7.19 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 40 K 8.62 4.66 0.00 1.66 1.76 0.00 1.71 0.00 0.00 1.66 0.00 0.00 2.73 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.49 1.47 7.81 41 R 8.91 4.69 0.00 1.84 1.69 0.00 3.09 0.00 0.00 3.14 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.58 0.00 42 I 8.41 4.58 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 1.35 0.74 0.91 0.00 0.00 43 K 8.90 3.76 0.00 1.83 1.82 0.00 1.87 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.38 1.36 7.81 44 G 7.77 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 0.00 0.00 0.00 45 N 6.91 5.11 0.00 2.86 2.80 0.00 0.00 7.07 7.86 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 *60 G 8.33 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 0.00 0.00 0.00 61 M 8.30 4.58 0.00 1.96 2.04 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.44 0.00 62 G 9.66 4.02 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 0.00 0.00 0.00 63 A 7.71 4.61 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 0.00 0.00 0.00 0.00 0.00 64 D 8.77 4.35 0.00 2.68 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 65 V 7.53 4.04 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 0.81 0.00 0.00 0.93 0.00 0.00 66 E 8.44 4.36 0.00 2.10 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 2.35 2.34 0.00 67 Q 8.57 4.87 0.00 2.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.04 6.56 0.00 0.00 0.00 0.00 0.00 2.35 2.40 0.00 68 V 8.86 4.63 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 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0.00 0.00 7.24 6.84 0.00 0.00 0.00 0.00 0.00 2.40 2.36 0.00 119 P 0.00 4.38 0.00 2.59 2.42 0.00 3.80 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 2.40 2.12 0.00 120 L 7.35 2.96 0.00 0.97 1.50 0.46 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 121 I 7.80 3.67 1.83 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 1.57 0.62 0.96 0.00 0.00 122 K 8.46 4.03 0.00 1.85 2.03 0.00 1.65 0.00 0.00 1.61 0.00 0.00 2.92 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.46 1.47 7.81 123 H 7.90 4.10 0.00 3.35 3.33 0.00 6.01 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 I 7.64 3.68 1.86 0.00 0.00 0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.59 0.29 0.00 0.00 125 L 8.36 4.18 0.00 1.85 1.79 0.97 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 126 T 8.02 4.00 4.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 127 N 7.84 5.00 0.00 2.78 2.76 0.00 0.00 6.54 8.05 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 0.00 128 F 8.51 4.22 0.00 3.37 3.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 129 D 8.24 4.50 0.00 2.74 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 0.00 130 D 8.01 4.39 0.00 2.19 2.33 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 0.00 131 F 7.35 4.98 0.00 2.20 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 0.00 0.00 0.00 132 E 8.63 4.47 0.00 1.74 1.51 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 2.10 2.18 0.00 133 F 7.81 5.22 0.00 2.95 2.61 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 0.00 0.00 0.00 0.00 134 Y 8.78 5.15 0.00 2.93 2.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 135 M 9.25 4.68 0.00 1.93 1.97 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.40 0.00 136 G 8.27 4.28 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 0.00 137 E 8.94 3.98 0.00 2.00 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 2.34 2.39 0.00 138 S 9.05 4.30 0.00 3.97 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 0.00 139 L 7.66 3.54 0.00 1.79 1.74 0.94 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 140 D 7.90 4.63 0.00 2.72 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 0.00 141 M 8.61 4.21 0.00 2.03 2.10 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.48 0.00 142 D 9.12 4.85 0.00 2.77 2.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 143 A 7.85 4.87 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 0.00 144 G 8.89 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 0.00 145 L 7.94 4.79 0.00 1.11 1.06 0.35 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 146 T 8.45 4.32 4.19 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 0.60 0.00 0.00 147 Y 8.52 4.88 0.00 2.90 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 0.00 148 S 8.71 4.76 0.00 2.72 3.42 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 0.00 149 Y 8.24 4.99 0.00 2.75 2.56 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 0.00 150 Y 8.51 4.46 0.00 2.76 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 0.00 151 K 8.60 4.49 0.00 1.81 1.80 0.00 2.01 0.00 0.00 2.03 0.00 0.00 2.98 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.57 1.63 7.81 152 G 8.33 4.28 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 0.00 153 E 8.88 4.58 0.00 1.97 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 0.00 2.23 2.31 0.00 154 E 8.39 4.18 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 2.37 2.31 0.00 155 V 8.31 4.41 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 0.78 0.00 0.00 0.98 0.00 0.00 156 T 7.51 4.78 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 157 P 0.00 3.92 0.00 1.38 0.93 0.00 3.58 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 2.11 1.76 0.00 158 R 7.97 4.97 0.00 0.72 1.59 0.00 2.72 0.00 0.00 3.36 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.30 0.00 159 F 9.21 4.91 0.00 2.91 2.61 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 0.00 0.00 0.00 0.00 160 V 8.88 4.74 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 0.74 0.00 0.00 0.74 0.00 0.00 161 Y 8.43 4.83 0.00 1.68 2.44 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 0.00 162 I 8.44 4.34 2.20 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.90 1.30 0.00 0.00 163 S 9.04 4.31 0.00 4.26 4.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 164 D 8.36 4.54 0.00 2.59 2.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 165 G 8.23 4.10 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 0.00 0.00 0.00 166 L 7.77 5.49 0.00 1.81 1.63 1.03 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 167 Y 8.68 5.03 0.00 2.99 3.01 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 0.00 168 E 8.87 4.62 0.00 1.84 1.71 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 1.71 2.30 0.00 169 E 8.61 4.69 0.00 2.02 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 2.02 2.22 0.00 170 K 8.36 4.73 0.00 1.73 1.63 0.00 1.85 0.00 0.00 1.70 0.00 0.00 2.73 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.35 1.44 7.81 171 F 8.08 4.27 0.00 3.12 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 * Residues marked with a * may have inaccurate shift predictions.