NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.9100 8.1633 120.7194 55.2732 34.1043 173.7190 2 R 5.0562 9.0112 117.8594 53.4039 33.5746 170.4144 3 V 5.0628 8.2621 121.2568 60.3817 35.6866 173.4047 4 V 4.8147 9.0130 125.0960 61.3953 33.5367 174.1379 5 I 4.9168 8.9048 129.5929 59.8129 39.3678 174.7686 6 Q 5.3798 9.4946 125.9896 53.0650 32.7034 174.4067 7 R 4.8914 8.4269 122.6771 55.1581 31.9271 175.2894 8 V 5.6230 8.8701 119.3192 58.6852 34.7940 176.9641 9 K 4.2870 8.4297 122.3574 57.3465 32.9099 177.0000 10 G 4.5967 7.5974 106.8005 45.9340 0.0000 171.4655 11 A 5.2584 8.5148 120.8385 50.6061 23.2004 175.4325 12 I 4.7365 9.2557 122.8766 59.3078 40.4477 174.2512 13 L 5.1439 8.8269 129.3909 53.3986 44.4104 175.3048 14 S 5.1795 9.4004 121.5681 56.9447 67.5464 173.3445 15 V 4.7515 8.0987 114.7270 58.9714 35.8797 175.0144 16 R 4.0250 8.7473 120.4314 56.9906 29.4310 176.4990 *27 L 4.5975 8.2265 122.6266 54.4845 42.9538 176.3620 28 E 4.6796 9.1373 122.5867 54.0098 32.3044 175.4810 29 I 4.1088 8.6976 125.4898 62.1786 37.2120 175.6827 30 I 4.5902 8.8135 118.9802 60.7516 39.1508 175.4877 31 S 4.7610 7.8081 117.6840 57.7933 67.4594 172.5146 32 E 5.2563 8.4171 121.5210 55.3119 32.5164 174.1274 33 I 4.7496 8.6415 118.3274 58.3515 41.5885 174.9623 34 K 5.2440 9.0826 128.9928 55.7630 30.7760 178.7812 35 N 4.6535 8.5665 125.4149 54.4585 39.7687 172.4822 36 G 4.2646 6.8620 109.6750 44.7576 0.0000 173.6273 37 L 5.2912 9.1869 125.3058 52.9048 45.7835 175.0693 38 I 4.4492 8.5765 124.4200 60.0403 39.8753 174.1289 39 C 5.1321 8.7260 126.8123 57.8747 31.1963 173.2031 40 F 4.7937 9.1174 124.7728 56.9649 40.0777 174.8602 41 L 5.0917 9.7567 127.7631 53.3584 43.8346 174.8714 42 G 4.5032 9.0543 114.6136 45.2525 0.0000 171.1378 43 I 5.0245 8.6751 125.6220 59.4777 39.0411 174.7229 44 H 3.2775 8.9984 130.2623 56.3861 30.1263 177.2537 45 K 3.9675 7.9570 127.2662 56.8484 31.6485 176.5233 46 N 4.9296 8.0396 112.4984 53.4995 38.8158 174.6821 47 D 4.6887 7.7989 119.1838 54.5856 41.4692 175.9893 48 T 4.7956 9.2105 112.8948 59.4077 71.1965 175.2871 49 W 4.5640 9.0224 131.1925 60.1155 30.4902 177.4882 50 E 3.9987 8.2024 118.0621 59.3361 28.7635 178.4343 51 D 4.3833 8.4402 119.3163 57.2096 40.8621 178.4115 52 A 3.9442 7.9947 120.6378 55.3192 18.3996 179.3272 53 L 3.4391 6.8778 117.0193 58.0422 41.6294 179.3573 54 Y 3.8868 7.7247 118.9226 60.5301 38.6260 178.2102 55 I 3.7200 7.4097 120.4781 64.3721 37.2693 178.3689 56 I 3.0690 7.4233 120.5533 64.1396 36.8450 178.1273 57 R 3.7358 8.0524 119.6914 59.6787 29.7405 178.5656 58 K 3.8309 7.7090 117.7939 59.5165 31.7294 179.2901 59 C 4.2077 8.1710 116.4174 62.9627 28.2763 175.9489 60 L 4.1590 8.0773 119.1752 57.0593 41.2192 177.7756 61 N 4.7021 7.8779 114.7046 53.7556 40.4366 175.6405 62 L 3.8506 7.9463 118.6307 55.5748 41.9845 176.9176 63 R 4.7788 8.5623 123.0551 55.4821 28.7753 175.9396 64 L 4.8863 8.5418 120.2247 53.9253 43.1595 176.6528 65 W 4.5771 8.2302 119.5852 54.3315 31.7753 174.9130 66 N 4.4178 8.4791 119.5511 53.3023 38.3237 174.2236 67 N 4.6041 9.4011 126.1729 53.4206 37.7187 174.9686 68 D 4.3762 8.0056 122.7194 56.0318 37.0982 173.6856 69 N 4.6995 9.3354 124.5421 51.0719 36.3424 172.0698 70 K 4.5968 8.0153 117.6244 52.8544 33.6651 180.4251 71 T 4.7014 8.3292 114.6167 61.0088 69.7125 174.4273 72 W 3.7041 8.1021 121.0179 57.9014 26.1319 172.7397 73 D 4.6827 8.9978 116.1187 54.8534 44.5963 175.5791 74 K 4.6172 8.0763 117.7643 54.6361 34.5022 175.4779 75 N 5.5225 8.2806 122.2555 50.6310 40.8343 176.4771 76 V 3.4959 8.5298 112.9584 64.6854 31.4640 179.0384 77 K 3.2406 7.6737 117.4022 59.1146 31.7246 178.7444 78 D 4.2911 8.6850 118.5597 57.3550 40.9215 178.3676 79 L 3.8617 6.9921 114.9429 53.3564 41.9238 176.0061 80 N 4.3115 7.5472 115.8080 54.0569 37.6672 173.3115 81 Y 4.9706 8.0563 114.7446 57.1320 40.2074 174.9422 82 E 5.0664 8.7554 118.7931 54.9678 33.1812 175.5153 83 L 5.1854 8.8544 120.6785 52.9451 45.6764 175.3656 84 L 4.8674 8.7269 125.7390 53.3817 44.3061 174.9133 85 I 4.6486 8.1746 128.1307 59.9122 38.4098 175.3057 86 V 4.4138 8.4874 128.0179 60.9789 34.0157 174.3874 87 S 4.9587 8.6646 122.8255 58.0151 63.1178 173.7757 88 Q 4.5182 8.6375 127.5194 53.1672 28.5702 176.1865 89 F 4.5022 8.4873 119.2574 59.6650 38.3974 178.5574 90 T 4.2276 7.0429 110.8947 64.0050 68.6270 175.9253 91 L 3.9904 7.7362 121.6979 57.0110 41.8320 177.4205 92 F 4.8712 8.6168 118.0030 57.1426 40.2725 175.9496 93 G 3.7136 8.3503 108.3740 45.1690 0.0000 173.8791 94 N 4.6676 9.1588 127.8239 52.9491 39.9925 175.3799 95 T 4.7760 8.3140 114.4918 61.3237 69.5456 174.9980 96 K 4.1394 8.5411 126.3415 59.9246 33.4912 179.3378 97 K 4.0087 8.5013 119.5631 55.4720 31.1329 182.1664 98 G 4.2398 8.7627 110.1914 46.2241 0.0000 174.3792 99 N 4.6491 8.7383 120.8676 52.7677 39.4184 174.5812 100 K 4.2940 7.6489 120.6825 53.6012 31.7058 173.9146 101 P 4.3224 0.0000 0.0000 62.7158 31.7224 175.4460 102 D 4.5643 8.5294 120.5948 51.6452 41.3826 176.8542 103 F 5.8894 8.0581 123.7582 56.9449 39.2348 176.9768 104 H 4.5811 8.0625 117.8112 57.2573 29.4199 177.2184 105 L 4.0514 7.9481 118.5382 56.1322 42.0763 176.5541 106 A 4.1149 7.2893 119.4254 51.2241 18.9577 177.5519 107 K 4.0083 8.4508 122.9965 55.9354 33.2795 176.4867 108 E 3.9249 8.7984 127.4082 56.1449 30.3170 175.4042 109 P 4.5170 0.0000 0.0000 66.4673 31.3303 178.1575 110 N 4.3562 9.8126 116.1183 56.1757 38.5954 177.0221 111 E 3.9523 9.2047 119.9938 59.8466 29.5856 179.8502 112 A 4.1161 8.2273 120.5725 54.9999 18.4596 179.2142 113 L 2.7881 7.6128 118.8843 58.1565 42.1324 179.3149 114 I 3.6919 7.4669 119.3574 64.3341 37.0312 178.2814 115 F 4.1915 8.3164 121.3392 61.3336 39.2836 176.4477 116 Y 4.2358 8.9783 119.7151 60.9429 38.5405 177.5608 117 N 4.2261 8.5513 117.5664 56.6429 38.7031 177.2113 118 K 3.9292 7.8625 118.9246 59.8515 32.1163 179.3088 119 I 3.7452 7.8216 119.7618 64.4648 36.8923 178.6423 120 I 3.8756 7.6360 120.5919 64.3621 36.9581 177.8902 121 D 4.4123 8.3578 120.1856 57.6927 40.6632 178.8474 122 E 4.0542 8.5268 119.5098 59.1779 29.6541 178.5799 123 F 4.1457 8.3688 117.9702 60.7080 38.8103 177.8609 124 K 4.0377 8.2965 116.7760 59.4849 31.9589 179.2094 125 K 4.1300 8.4689 117.8041 59.7290 32.0532 179.1101 126 Q 4.2360 8.7418 117.6629 55.8746 29.1287 176.3833 127 Y 4.7954 8.8750 116.3638 57.3695 39.0829 177.3208 128 N 4.9349 8.3970 114.1362 51.4204 42.0704 173.4886 129 D 4.4725 8.5681 123.5116 55.1575 40.0327 176.5779 130 D 4.4280 8.0660 118.5792 55.4756 41.5404 176.6211 131 K 4.1320 7.6364 117.1531 57.0179 32.6089 175.5674 132 I 4.6507 7.4170 120.1754 59.6467 38.4787 175.2486 133 K 4.7641 8.8855 127.1608 54.7659 35.3467 175.1662 134 I 5.0369 8.1073 114.2531 60.1426 41.2682 173.2415 135 G 4.2861 8.1477 113.8454 44.7084 0.0000 174.3528 136 K 4.2416 9.0128 119.4695 53.3945 29.8640 175.3053 137 F 3.1112 6.5048 121.7338 56.8652 42.7217 176.2669 138 G 4.0325 7.7918 110.7001 45.5564 0.0000 172.5651 139 N 5.0709 7.6484 115.5674 50.4789 41.8696 174.4094 140 Y 3.9502 8.6316 121.8453 58.3292 39.1879 175.2579 141 M 4.9006 7.4866 125.6110 53.4046 36.2577 174.7623 142 N 4.7253 9.4766 118.9996 52.1487 42.2668 173.2212 143 I 4.9692 8.3641 127.2144 59.5909 39.9840 175.1819 144 D 4.6582 9.1926 129.2367 53.6231 41.7450 175.8160 145 V 4.5528 8.3969 123.7870 61.3088 34.1348 175.0602 146 T 4.4211 8.9808 125.4302 62.2918 69.4261 173.4132 147 N 4.9654 8.6527 124.8213 52.6321 39.4176 174.6538 148 D 4.2639 10.4921 125.2857 56.6918 41.7891 174.2831 149 G 3.6476 8.8699 118.0003 44.5170 0.0000 171.7797 150 P 4.5595 0.0000 0.0000 60.3160 33.1494 175.8707 151 V 4.3403 7.9498 116.9016 61.7150 33.9201 173.5582 152 T 5.0748 8.5521 124.4645 61.9401 70.5420 174.4209 153 I 4.6510 8.8804 126.2553 59.6896 40.8689 173.6193 154 Y 5.2292 8.7778 127.7304 56.0221 41.2736 174.9729 155 I 4.3158 7.4607 125.8546 59.8726 41.6208 173.2675 156 D 5.0983 8.3916 127.6122 52.7820 42.0675 176.0720 157 T 3.9437 8.7104 115.6379 62.5194 69.9085 175.2132 158 H 4.7298 8.6583 119.6500 56.2179 28.6935 175.0913 159 D 4.5313 7.5623 125.7596 54.4964 41.0963 175.9149 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 4.91 0.00 1.73 2.01 0.00 0.00 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.15 0.00 2 R 9.01 5.06 0.00 1.45 1.75 0.00 2.21 0.00 0.00 2.87 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.63 0.00 3 V 8.26 5.06 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 0.64 0.00 0.00 1.05 0.00 0.00 4 V 9.01 4.81 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 1.18 0.00 0.00 1.12 0.00 0.00 5 I 8.90 4.92 2.02 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 1.28 0.69 0.93 0.00 0.00 6 Q 9.49 5.38 0.00 2.04 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.82 0.00 0.00 0.00 0.00 0.00 2.32 2.22 0.00 7 R 8.43 4.89 0.00 1.63 1.78 0.00 2.21 0.00 0.00 2.47 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.87 0.00 8 V 8.87 5.62 2.39 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 0.90 0.00 0.00 1.02 0.00 0.00 9 K 8.43 4.29 0.00 1.63 1.85 0.00 1.92 0.00 0.00 2.54 0.00 0.00 2.91 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.45 1.23 7.81 10 G 7.60 4.60 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 0.00 0.00 0.00 11 A 8.51 5.26 1.17 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 0.00 0.00 12 I 9.26 4.74 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 1.11 0.81 0.91 0.00 0.00 13 L 8.83 5.14 0.00 1.67 1.48 0.90 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 14 S 9.40 5.18 0.00 3.73 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 15 V 8.10 4.75 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 0.77 0.00 0.00 0.96 0.00 0.00 16 R 8.75 4.03 0.00 1.87 1.96 0.00 3.18 0.00 0.00 3.13 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.72 0.00 *27 L 8.23 4.60 0.00 1.58 1.70 1.03 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 28 E 9.14 4.68 0.00 1.97 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.27 0.00 29 I 8.70 4.11 1.88 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 1.41 0.54 0.91 0.00 0.00 30 I 8.81 4.59 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 1.24 0.68 1.02 0.00 0.00 31 S 7.81 4.76 0.00 3.74 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 E 8.42 5.26 0.00 1.92 1.75 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 2.18 2.43 0.00 33 I 8.64 4.75 1.85 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 1.19 0.99 0.88 0.00 0.00 34 K 9.08 5.24 0.00 1.73 1.18 0.00 1.67 0.00 0.00 1.63 0.00 0.00 2.89 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.51 1.53 7.81 35 N 8.57 4.65 0.00 1.44 1.50 0.00 0.00 6.77 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 36 G 6.86 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 0.00 0.00 0.00 0.00 37 L 9.19 5.29 0.00 1.63 1.57 1.09 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 38 I 8.58 4.45 1.74 0.00 0.00 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.37 0.70 0.98 0.00 0.00 39 C 8.73 5.13 0.00 2.79 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 40 F 9.12 4.79 0.00 3.00 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 41 L 9.76 5.09 0.00 1.80 1.94 1.31 1.34 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 42 G 9.05 4.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.68 5.02 2.08 0.00 0.00 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 1.67 1.01 0.94 0.00 0.00 44 H 9.00 3.28 0.00 2.93 3.36 0.00 5.59 0.00 0.00 0.00 0.00 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 K 7.96 3.97 0.00 1.81 1.72 0.00 1.84 0.00 0.00 1.70 0.00 0.00 2.92 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.39 1.29 7.81 46 N 8.04 4.93 0.00 2.77 2.85 0.00 0.00 6.96 8.06 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 47 D 7.80 4.69 0.00 2.45 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 48 T 9.21 4.80 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 1.26 0.00 0.00 49 W 9.02 4.56 0.00 3.48 3.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 E 8.20 4.00 0.00 2.01 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 2.40 2.53 0.00 51 D 8.44 4.38 0.00 3.08 2.85 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 0.00 0.00 0.00 0.00 52 A 7.99 3.94 0.63 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 0.00 0.00 0.00 0.00 0.00 53 L 6.88 3.44 0.00 1.35 1.52 -0.12 0.73 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 54 Y 7.72 3.89 0.00 3.13 3.05 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 55 I 7.41 3.72 1.99 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 1.80 0.93 1.02 0.00 0.00 56 I 7.42 3.07 1.38 0.00 0.00 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 -0.00 0.39 0.00 0.00 57 R 8.05 3.74 0.00 1.64 1.77 0.00 2.98 0.00 0.00 3.06 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.55 0.00 58 K 7.71 3.83 0.00 1.85 1.72 0.00 1.59 0.00 0.00 1.45 0.00 0.00 2.69 0.00 0.00 2.63 0.00 0.00 0.00 0.00 0.77 1.13 7.81 59 C 8.17 4.21 0.00 3.22 3.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 L 8.08 4.16 0.00 1.59 1.67 0.98 1.21 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 61 N 7.88 4.70 0.00 2.76 2.81 0.00 0.00 7.01 8.01 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 62 L 7.95 3.85 0.00 1.79 1.68 0.92 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 63 R 8.56 4.78 0.00 1.94 2.12 0.00 3.21 0.00 0.00 3.27 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.86 0.00 64 L 8.54 4.89 0.00 0.92 1.41 0.84 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 65 W 8.23 4.58 0.00 3.64 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 66 N 8.48 4.42 0.00 2.77 2.71 0.00 0.00 6.67 6.92 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 67 N 9.40 4.60 0.00 2.76 2.89 0.00 0.00 6.98 8.72 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 68 D 8.01 4.38 0.00 2.79 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 69 N 9.34 4.70 0.00 2.83 3.13 0.00 0.00 6.57 7.44 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 70 K 8.02 4.60 0.00 1.63 1.69 0.00 1.78 0.00 0.00 1.70 0.00 0.00 2.93 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.25 1.20 7.81 71 T 8.33 4.70 4.07 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 1.18 0.00 0.00 72 W 8.10 3.70 0.00 3.43 3.24 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 73 D 9.00 4.68 0.00 2.70 2.69 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 74 K 8.08 4.62 0.00 1.88 1.64 0.00 1.79 0.00 0.00 1.87 0.00 0.00 2.91 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.44 1.28 7.81 75 N 8.28 5.52 0.00 3.16 3.23 0.00 0.00 6.86 8.07 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 76 V 8.53 3.50 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 1.09 0.00 0.00 1.14 0.00 0.00 77 K 7.67 3.24 0.00 1.66 1.53 0.00 1.49 0.00 0.00 1.61 0.00 0.00 2.85 0.00 0.00 2.85 0.00 0.00 0.00 0.00 0.30 1.16 7.81 78 D 8.69 4.29 0.00 2.74 2.63 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 0.00 0.00 0.00 79 L 6.99 3.86 0.00 0.27 0.13 0.29 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 80 N 7.55 4.31 0.00 2.73 2.82 0.00 0.00 7.14 7.09 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 81 Y 8.06 4.97 0.00 2.72 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 82 E 8.76 5.07 0.00 1.94 1.83 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 2.22 2.30 0.00 83 L 8.85 5.19 0.00 1.48 1.33 1.17 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 84 L 8.73 4.87 0.00 1.67 1.40 0.86 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 85 I 8.17 4.65 1.81 0.00 0.00 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.70 0.39 1.08 0.00 0.00 86 V 8.49 4.41 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 1.01 0.00 0.00 0.83 0.00 0.00 87 S 8.66 4.96 0.00 3.80 3.44 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 88 Q 8.64 4.52 0.00 2.12 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.52 0.00 0.00 0.00 0.00 0.00 2.42 2.56 0.00 89 F 8.49 4.50 0.00 3.19 3.33 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 90 T 7.04 4.23 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 0.49 0.00 0.00 91 L 7.74 3.99 0.00 1.70 1.47 1.01 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 92 F 8.62 4.87 0.00 3.21 3.16 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 93 G 8.35 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 94 N 9.16 4.67 0.00 2.88 2.81 0.00 0.00 6.45 7.28 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 95 T 8.31 4.78 4.20 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 1.20 0.00 0.00 96 K 8.54 4.14 0.00 1.90 1.90 0.00 1.84 0.00 0.00 1.74 0.00 0.00 2.98 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.46 1.36 7.81 97 K 8.50 4.01 0.00 1.77 1.45 0.00 1.78 0.00 0.00 1.71 0.00 0.00 2.92 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.36 1.00 7.81 98 G 8.76 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 0.00 0.00 0.00 0.00 99 N 8.74 4.65 0.00 2.69 2.82 0.00 0.00 6.60 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 0.00 100 K 7.65 4.29 0.00 1.70 1.73 0.00 1.80 0.00 0.00 1.76 0.00 0.00 3.08 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.36 1.43 7.81 101 P 0.00 4.32 0.00 1.63 1.92 0.00 3.76 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.02 0.00 102 D 8.53 4.56 0.00 2.84 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 0.00 103 F 8.06 5.89 0.00 3.04 3.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 H 8.06 4.58 0.00 3.23 3.37 0.00 5.84 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 L 7.95 4.05 0.00 1.87 1.53 0.97 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 106 A 7.29 4.11 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.45 4.01 0.00 1.79 1.75 0.00 1.57 0.00 0.00 1.50 0.00 0.00 2.74 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.44 1.31 7.81 108 E 8.80 3.92 0.00 2.03 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 2.37 2.29 0.00 109 P 0.00 4.52 0.00 2.26 2.25 0.00 3.63 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 2.08 2.13 0.00 110 N 9.81 4.36 0.00 2.99 2.84 0.00 0.00 7.04 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 0.00 111 E 9.20 3.95 0.00 2.21 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 0.00 2.35 2.45 0.00 112 A 8.23 4.12 1.68 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 0.00 113 L 7.61 2.79 0.00 0.92 1.57 0.61 0.81 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 0.00 114 I 7.47 3.69 2.05 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 1.40 0.88 0.93 0.00 0.00 115 F 8.32 4.19 0.00 3.29 3.33 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 0.00 116 Y 8.98 4.24 0.00 3.26 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 0.00 117 N 8.55 4.23 0.00 2.99 2.87 0.00 0.00 7.09 7.72 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 0.00 118 K 7.86 3.93 0.00 1.83 1.47 0.00 1.43 0.00 0.00 1.14 0.00 0.00 2.78 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.29 1.65 7.81 119 I 7.82 3.75 2.05 0.00 0.00 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 1.33 0.56 1.03 0.00 0.00 120 I 7.64 3.88 1.90 0.00 0.00 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.55 0.87 0.00 0.00 121 D 8.36 4.41 0.00 2.86 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 0.00 122 E 8.53 4.05 0.00 2.42 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 2.17 2.28 0.00 123 F 8.37 4.15 0.00 3.33 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 0.00 124 K 8.30 4.04 0.00 1.92 1.89 0.00 1.90 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.46 1.52 7.81 125 K 8.47 4.13 0.00 1.93 1.92 0.00 1.71 0.00 0.00 1.74 0.00 0.00 3.06 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.50 1.51 7.81 126 Q 8.74 4.24 0.00 2.17 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.74 0.00 0.00 0.00 0.00 0.00 2.38 2.36 0.00 127 Y 8.87 4.80 0.00 2.97 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 0.00 128 N 8.40 4.93 0.00 2.41 1.66 0.00 0.00 6.66 8.49 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 0.00 129 D 8.57 4.47 0.00 2.80 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 0.00 130 D 8.07 4.43 0.00 2.59 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 0.00 131 K 7.64 4.13 0.00 1.22 1.59 0.00 1.68 0.00 0.00 1.54 0.00 0.00 2.78 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.24 0.80 7.81 132 I 7.42 4.65 1.82 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 1.49 0.88 0.72 0.00 0.00 133 K 8.89 4.76 0.00 1.60 1.67 0.00 1.60 0.00 0.00 1.67 0.00 0.00 2.93 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.32 1.60 7.81 134 I 8.11 5.04 2.10 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.71 0.95 0.00 0.00 135 G 8.15 4.29 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 0.00 136 K 9.01 4.24 0.00 1.69 1.73 0.00 1.81 0.00 0.00 1.74 0.00 0.00 2.80 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.38 0.98 7.81 137 F 6.50 3.11 0.00 2.86 3.08 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 0.00 138 G 7.79 4.03 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 0.00 0.00 0.00 139 N 7.65 5.07 0.00 2.93 2.73 0.00 0.00 6.77 7.29 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 0.00 140 Y 8.63 3.95 0.00 2.96 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 0.00 141 M 7.49 4.90 0.00 1.77 1.73 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.43 0.00 142 N 9.48 4.73 0.00 2.82 2.76 0.00 0.00 7.28 8.73 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 0.00 143 I 8.36 4.97 1.93 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 1.33 0.77 0.92 0.00 0.00 144 D 9.19 4.66 0.00 2.58 2.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 145 V 8.40 4.55 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 0.86 0.00 0.00 1.06 0.00 0.00 146 T 8.98 4.42 4.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 147 N 8.65 4.97 0.00 2.62 2.77 0.00 0.00 6.98 8.06 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 0.00 148 D 10.49 4.26 0.00 2.77 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 0.00 149 G 8.87 3.65 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 0.00 0.00 0.00 150 P 0.00 4.56 0.00 2.20 2.08 0.00 3.33 0.00 0.00 2.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.91 0.00 151 V 7.95 4.34 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.92 0.00 0.00 152 T 8.55 5.07 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 1.27 0.00 0.00 153 I 8.88 4.65 1.90 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 1.14 0.92 0.00 0.00 154 Y 8.78 5.23 0.00 2.96 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 0.00 155 I 7.46 4.32 1.80 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 1.12 0.62 1.03 0.00 0.00 156 D 8.39 5.10 0.00 2.74 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 0.00 157 T 8.71 3.94 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 158 H 8.66 4.73 0.00 3.28 3.31 0.00 5.61 0.00 0.00 0.00 0.00 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 159 D 7.56 4.53 0.00 2.57 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 * Residues marked with a * may have inaccurate shift predictions.