NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.4304 8.1233 122.4664 51.3703 21.8187 176.0647 3 I 4.2737 8.1081 116.7948 59.4856 41.0190 172.6691 4 T 4.9545 8.8390 124.2392 61.8328 70.8499 173.7258 5 V 4.3073 8.8450 126.7981 61.2231 33.8787 174.2107 6 S 5.0496 8.6128 123.9661 57.0148 64.6397 173.5961 7 I 4.5650 8.7828 125.3205 59.4273 40.6503 174.4211 8 E 5.1745 8.6484 125.0320 54.5484 32.9962 174.7447 9 L 4.7941 8.6699 123.3282 54.7821 44.4378 174.3094 10 N 5.6899 8.6248 115.8931 51.9191 42.8833 174.1158 11 R 4.8824 9.4396 120.0512 54.6820 34.9072 173.8171 12 D 5.6660 8.6480 121.4375 52.7285 43.9268 175.1271 13 L 4.5360 8.9679 121.2817 55.0180 44.4574 173.1396 14 E 5.0859 8.7247 120.8466 54.6365 31.5113 174.7925 15 I 4.3864 8.6095 128.7901 58.4415 38.9351 175.1349 16 P 4.6312 0.0000 0.0000 61.5012 30.3972 174.8448 17 A 4.4599 6.9236 119.4167 49.8036 22.7700 176.9322 18 S 4.3426 7.8893 113.5794 58.4239 64.9063 174.9946 19 Y 4.1099 8.4518 124.8954 60.4299 38.5535 178.2310 20 D 4.3290 8.2209 119.0772 57.4921 41.0219 178.6023 21 E 3.9697 7.7206 118.4009 59.3796 29.4726 179.6299 22 V 3.4825 7.6374 118.4684 65.8515 31.4945 177.7573 23 F 3.6404 8.2292 120.6592 61.3650 38.9570 176.7459 24 D 4.4220 8.0124 117.1836 57.1782 40.8401 178.4742 25 L 4.0488 7.8789 120.7035 58.3194 42.0329 179.1677 26 L 3.8242 7.4257 116.8683 57.0543 41.4861 178.7125 27 A 4.2771 7.6678 119.4393 52.5095 19.1192 177.4909 28 D 4.5213 7.5236 117.6220 52.2908 41.1237 176.6162 29 V 3.1902 7.6645 126.0806 65.2058 31.4013 175.5610 30 P 3.9476 0.0000 0.0000 65.3334 30.9328 178.5507 31 K 3.8894 7.9075 117.4090 59.2574 32.3541 178.4222 32 S 4.3233 8.3605 113.6825 61.6432 62.2730 176.1900 33 A 4.2134 8.5458 123.6960 54.9674 17.7719 179.5254 34 S 4.0630 7.7150 112.0104 61.1975 62.9454 175.4113 35 H 4.7572 8.2268 117.9367 54.6455 29.1820 174.3104 36 F 4.2287 7.9340 125.0676 55.7497 39.2044 173.6942 37 P 4.3702 0.0000 0.0000 63.6717 31.8481 176.1326 38 K 4.0665 8.5461 117.4794 57.5566 29.4173 175.7503 39 V 4.0194 7.2783 118.7332 62.6920 32.2944 174.8116 40 D 4.6743 9.1171 127.7701 56.1102 42.0107 176.6490 41 K 4.5800 7.7611 116.1055 54.5060 36.9053 175.2705 42 L 4.5577 8.2563 125.1079 53.0252 43.8805 175.2172 43 V 3.8496 8.6940 127.7380 61.7028 32.7269 174.6822 44 D 4.3583 8.7109 128.3632 54.2853 40.8487 175.3929 45 L 4.2250 8.0773 126.5682 53.7696 42.4478 177.3808 46 G 3.8602 8.3001 108.5915 45.4230 0.0000 172.7899 47 N 4.3896 9.2889 113.7836 54.6874 37.4504 174.1046 48 N 4.4642 8.3228 108.8431 53.6139 36.3510 173.2262 49 A 5.5403 7.4743 119.4128 50.6512 22.0851 176.2065 50 Y 5.1172 9.1782 117.5583 56.4537 43.1091 174.0124 51 R 5.0979 8.8732 123.8076 54.6923 32.4532 174.6693 52 W 4.9272 9.4167 126.8054 55.2614 31.1612 175.2729 53 E 4.9918 9.0163 123.3320 54.3785 33.5204 174.7735 *55 E 4.3471 8.5486 119.2544 56.0496 30.6026 176.4987 56 K 4.4844 8.3860 121.2939 56.7307 33.8910 176.8456 57 V 4.4774 8.9504 113.3418 60.0478 34.9079 176.4775 58 G 3.9856 8.6378 110.0373 45.1693 0.0000 172.3865 59 V 4.2734 7.5570 119.3027 61.7852 34.8743 174.9026 60 D 4.2334 8.4481 128.6088 55.1810 41.7182 177.4899 61 K 4.0782 8.4853 115.8705 58.9229 31.7603 177.0972 62 H 4.5630 7.9392 113.3986 55.7190 29.0400 175.2968 63 A 4.6742 7.7362 122.1910 51.8444 19.0857 177.0926 64 I 4.7279 9.0738 113.2187 59.3110 41.3823 174.3184 65 Q 4.7985 8.3440 123.4214 54.7950 32.1024 173.8678 66 S 4.6376 8.8422 121.4412 57.8962 63.3347 173.1043 67 V 4.8611 9.3074 127.7608 61.4476 34.7305 173.6172 68 Y 5.2886 8.5406 123.6847 56.1077 41.7533 173.1203 69 A 5.5710 8.8732 121.4057 50.6643 22.7673 174.8438 70 C 5.4343 9.4005 117.3335 58.4583 33.2769 173.0796 71 T 5.2813 8.7673 118.0659 62.4035 70.3807 173.2911 72 Y 5.4455 9.4476 123.9781 56.7464 40.7173 174.8769 73 H 5.0761 9.9154 122.1819 54.5795 33.2025 171.6209 74 A 5.1969 8.8308 127.2878 50.3679 21.5195 175.3995 75 D 4.6191 9.5787 121.9125 52.0757 42.5425 175.8599 76 K 2.6321 8.6319 126.7882 58.5124 32.7342 177.8711 77 E 3.9660 8.2871 118.4991 59.0910 29.6078 177.5445 78 A 4.1428 8.1925 119.5751 52.6244 19.0115 177.1701 79 G 4.5662 8.2012 104.4813 46.6130 0.0000 173.1106 80 K 5.3864 8.2129 118.8825 54.4509 36.3388 174.6781 81 I 5.4172 9.1989 127.0507 59.9138 40.8374 174.5886 82 T 5.1649 9.6731 117.0360 59.5878 72.5990 172.8208 83 W 5.7373 8.3424 118.9411 54.8988 31.8669 174.0636 84 S 5.1093 8.8009 115.8960 55.6081 66.3306 171.4442 85 P 4.8116 0.0000 0.0000 63.0767 32.5561 175.8136 86 I 4.3285 8.7703 123.9371 59.6001 38.2504 175.7239 87 K 3.9721 8.7039 127.2742 57.9108 32.4038 177.6436 88 G 3.9016 8.8911 109.7745 45.7649 0.0000 172.6772 89 E 4.5402 7.7251 118.2678 55.1043 31.5154 177.2705 90 G 3.9006 8.7849 113.7587 45.9661 0.0000 173.4457 91 N 5.0951 9.0471 121.9898 52.2689 39.0267 174.5312 92 G 4.4821 8.3046 104.8760 44.7489 0.0000 172.8448 93 V 4.4312 8.9142 121.8240 60.8547 34.0560 174.4226 94 V 4.7989 8.3058 127.6832 61.0069 34.0613 174.5491 95 S 4.6556 8.7598 121.2966 56.9460 67.2003 172.9610 96 G 3.1274 7.1046 106.3422 46.2814 0.0000 171.9702 97 S 4.3928 6.8019 112.4333 56.8906 66.7519 173.6192 98 W 5.6197 9.4796 121.3549 55.4554 31.8916 175.0036 99 T 5.3465 9.2949 120.6619 61.9055 70.9551 173.1723 100 L 5.7117 9.2634 126.0957 53.4203 45.7970 176.0736 101 S 4.7741 8.9153 114.0174 56.8644 66.6483 173.7101 102 A 4.2757 8.5278 124.1136 52.6051 19.3179 177.9758 103 K 4.2672 9.0331 122.2643 54.4595 32.5167 177.6077 104 G 3.9226 8.1793 111.7512 44.6447 0.0000 170.1491 105 D 4.5940 8.5032 116.7252 56.0710 41.2644 176.7689 106 N 5.1846 7.9711 114.3260 52.3934 40.6344 173.7923 107 A 5.0361 7.7463 117.8869 51.0016 23.3074 176.2236 108 T 5.0500 8.8027 115.2190 61.8310 73.0446 173.3250 109 A 4.5727 9.0065 128.8613 51.5946 20.1556 176.3509 110 V 5.0263 9.2319 122.0140 61.0424 35.3595 174.2335 111 K 5.1961 9.5319 127.0009 54.6930 35.0264 174.7145 112 F 5.1230 9.6456 127.6643 56.5584 41.9802 174.0881 113 Q 4.7477 7.6517 125.2022 54.8082 32.9304 173.6270 114 T 4.7202 8.4965 121.1170 62.1022 73.5643 172.7206 115 S 5.1657 8.8715 121.8354 56.6473 65.8647 173.1358 116 A 4.8424 9.0184 125.9507 50.2485 22.7823 174.3659 117 E 4.9431 9.0317 122.3694 54.4932 32.2217 175.0742 118 L 5.1067 8.8046 125.0255 53.1993 44.8804 175.5932 119 T 4.9777 8.9474 121.8129 62.1554 69.8454 174.7354 120 V 4.5527 8.8156 120.3144 58.0866 35.2548 174.5719 121 P 4.8509 0.0000 0.0000 62.1045 30.1809 175.1584 122 L 4.8026 7.1502 118.1438 52.3511 45.3037 175.3078 123 P 4.2864 0.0000 0.0000 62.9126 31.8763 177.7870 124 S 4.2797 8.8598 117.4330 60.5206 62.9714 176.1610 125 L 3.9093 8.0323 121.6115 57.6035 41.8903 177.2255 126 L 4.5158 8.1651 117.2673 54.4451 42.0649 177.8408 127 K 3.8024 8.1169 121.9923 60.1318 31.7208 178.7824 128 L 4.0180 7.8321 116.7666 57.6125 41.6636 178.9594 129 A 4.1494 7.8728 119.6829 54.8681 18.7543 179.1492 130 I 3.9666 7.9670 118.2082 64.1590 37.4333 178.3553 131 S 4.1277 8.0522 116.0212 61.5085 62.6393 175.1244 132 P 4.2427 0.0000 0.0000 65.6184 30.9534 178.8575 133 V 3.6300 7.8964 117.0979 65.9797 31.4802 178.1888 134 I 3.7711 7.7359 119.1370 64.4087 36.9387 178.4477 135 K 4.0782 8.3784 119.5536 59.6001 31.8670 178.9450 136 H 4.1691 8.6148 118.9027 59.2731 29.8018 176.9951 137 E 3.9759 8.6251 121.4747 59.1603 29.4704 178.5763 138 F 4.0897 8.4723 120.8210 61.3919 39.4234 176.8931 139 N 4.4683 8.6934 116.4423 56.2053 38.2953 177.3405 140 S 3.9867 7.9985 114.5674 61.3321 62.4743 176.0423 141 L 3.7308 7.8078 121.6330 57.8615 41.1142 179.8306 142 V 3.3883 7.2501 116.6069 65.9343 31.5284 177.2960 143 D 4.4899 7.9610 117.7304 57.7851 40.9540 178.7675 144 T 4.0042 7.8531 115.9765 66.6110 68.3136 176.4027 145 Y 4.3668 7.6512 118.3854 58.7673 39.1326 177.5391 *147 A 4.2228 7.9322 122.7891 51.9015 20.9471 179.5078 148 N 4.4134 8.6136 113.6108 56.6044 38.6011 177.6132 149 L 3.6905 8.0270 120.5584 57.5651 41.4070 179.5338 150 K 4.0612 7.5050 117.3892 58.4255 31.9810 177.9541 151 K 4.4597 7.6072 116.7344 56.0078 32.4685 177.8113 152 A 3.9369 7.9019 124.4825 54.1484 18.4065 179.4066 153 F 4.7551 7.8235 112.2804 57.2045 39.5865 176.5218 154 L 3.8833 7.3099 121.2650 59.2487 41.3224 176.1126 155 E 4.2614 8.3304 121.1499 55.4119 29.3785 175.2289 156 H 4.3364 8.7075 126.4379 59.1552 30.2630 175.4006 157 H 4.3335 7.7820 115.3262 55.6222 29.1820 174.7557 158 H 5.1129 8.6928 119.6958 55.0160 29.0600 174.7762 159 H 4.4334 7.8194 120.9942 55.7112 28.6844 175.0475 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 2 A 8.12 4.43 1.38 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 0.00 0.00 3 I 8.11 4.27 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 1.23 1.07 0.91 0.00 0.00 4 T 8.84 4.95 4.22 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 1.18 0.00 0.00 5 V 8.85 4.31 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 0.92 0.00 0.00 6 S 8.61 5.05 0.00 3.72 3.77 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.78 4.57 1.50 0.00 0.00 0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.44 0.72 0.00 0.00 8 E 8.65 5.17 0.00 1.72 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 2.10 2.18 0.00 9 L 8.67 4.79 0.00 1.83 1.78 1.20 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 10 N 8.62 5.69 0.00 2.59 2.72 0.00 0.00 6.71 7.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 R 9.44 4.88 0.00 1.84 1.85 0.00 3.28 0.00 0.00 3.25 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.80 0.00 12 D 8.65 5.67 0.00 2.57 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 13 L 8.97 4.54 0.00 1.70 1.77 0.92 0.90 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 14 E 8.72 5.09 0.00 1.99 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 2.19 2.42 0.00 15 I 8.61 4.39 1.79 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.45 0.94 0.00 0.00 16 P 0.00 4.63 0.00 2.17 2.09 0.00 3.85 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.97 0.00 17 A 6.92 4.46 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 S 7.89 4.34 0.00 4.12 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 19 Y 8.45 4.11 0.00 3.07 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 20 D 8.22 4.33 0.00 2.75 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 21 E 7.72 3.97 0.00 1.78 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 0.00 2.37 2.28 0.00 22 V 7.64 3.48 1.86 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 0.80 0.00 0.00 0.52 0.00 0.00 23 F 8.23 3.64 0.00 2.37 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 24 D 8.01 4.42 0.00 2.82 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 25 L 7.88 4.05 0.00 1.86 1.86 0.85 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 26 L 7.43 3.82 0.00 1.08 0.87 -0.19 -0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 27 A 7.67 4.28 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.52 4.52 0.00 2.82 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 29 V 7.66 3.19 0.67 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 -0.21 0.00 0.00 -0.20 0.00 0.00 30 P 0.00 3.95 0.00 2.08 1.94 0.00 3.58 0.00 0.00 3.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.02 0.00 31 K 7.91 3.89 0.00 1.83 1.78 0.00 1.79 0.00 0.00 1.61 0.00 0.00 2.97 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.44 1.42 7.81 32 S 8.36 4.32 0.00 4.15 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 33 A 8.55 4.21 1.01 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 34 S 7.72 4.06 0.00 3.90 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 35 H 8.23 4.76 0.00 3.54 3.53 0.00 5.84 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 F 7.93 4.23 0.00 2.68 3.04 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 37 P 0.00 4.37 0.00 2.16 2.04 0.00 2.39 0.00 0.00 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.73 0.00 38 K 8.55 4.07 0.00 2.01 2.01 0.00 1.76 0.00 0.00 1.66 0.00 0.00 2.92 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.48 1.41 7.81 39 V 7.28 4.02 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.66 0.00 0.00 1.29 0.00 0.00 40 D 9.12 4.67 0.00 2.77 2.81 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 41 K 7.76 4.58 0.00 1.63 1.53 0.00 1.63 0.00 0.00 1.87 0.00 0.00 2.72 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.37 1.38 7.81 42 L 8.26 4.56 0.00 0.96 1.20 -0.67 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 43 V 8.69 3.85 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.00 0.00 0.88 0.00 0.00 44 D 8.71 4.36 0.00 2.67 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 45 L 8.08 4.23 0.00 1.65 1.61 0.97 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 46 G 8.30 3.86 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 0.00 0.00 0.00 47 N 9.29 4.39 0.00 2.81 2.86 0.00 0.00 7.06 7.79 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 48 N 8.32 4.46 0.00 3.11 3.32 0.00 0.00 6.71 7.52 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 49 A 7.47 5.54 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 50 Y 9.18 5.12 0.00 3.05 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 51 R 8.87 5.10 0.00 1.92 1.76 0.00 3.09 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 1.53 1.76 0.00 52 W 9.42 4.93 0.00 2.17 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 53 E 9.02 4.99 0.00 1.82 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 2.19 2.20 0.00 *55 E 8.55 4.35 0.00 2.02 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 2.48 0.00 56 K 8.39 4.48 0.00 2.00 1.83 0.00 1.54 0.00 0.00 1.72 0.00 0.00 2.95 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.42 1.48 7.81 57 V 8.95 4.48 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 0.84 0.00 0.00 0.97 0.00 0.00 58 G 8.64 3.99 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 0.00 59 V 7.56 4.27 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 1.01 0.00 0.00 0.94 0.00 0.00 60 D 8.45 4.23 0.00 2.89 1.86 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 61 K 8.49 4.08 0.00 1.94 1.78 0.00 1.64 0.00 0.00 1.71 0.00 0.00 3.11 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.45 1.44 7.81 62 H 7.94 4.56 0.00 3.16 3.36 0.00 5.85 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 A 7.74 4.67 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 64 I 9.07 4.73 1.91 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 1.45 1.34 0.94 0.00 0.00 65 Q 8.34 4.80 0.00 2.06 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.64 6.98 0.00 0.00 0.00 0.00 0.00 2.28 2.39 0.00 66 S 8.84 4.64 0.00 4.01 3.91 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 0.00 0.00 0.00 67 V 9.31 4.86 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 1.09 0.00 0.00 0.96 0.00 0.00 68 Y 8.54 5.29 0.00 3.05 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 69 A 8.87 5.57 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 C 9.40 5.43 0.00 3.01 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 71 T 8.77 5.28 4.31 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 1.34 0.00 0.00 72 Y 9.45 5.45 0.00 2.99 3.13 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 73 H 9.92 5.08 0.00 3.28 3.26 0.00 5.73 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 A 8.83 5.20 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 75 D 9.58 4.62 0.00 2.76 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 76 K 8.63 2.63 0.00 1.19 1.57 0.00 1.63 0.00 0.00 1.51 0.00 0.00 2.89 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.18 0.32 7.81 77 E 8.29 3.97 0.00 1.94 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.29 0.00 78 A 8.19 4.14 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 0.00 0.00 0.00 0.00 0.00 79 G 8.20 4.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.21 5.39 0.00 1.93 1.75 0.00 1.74 0.00 0.00 1.88 0.00 0.00 2.89 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.50 1.76 7.81 81 I 9.20 5.42 2.40 0.00 0.00 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.78 1.41 0.00 0.00 82 T 9.67 5.16 4.11 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 1.22 0.00 0.00 83 W 8.34 5.74 0.00 2.67 2.43 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 84 S 8.80 5.11 0.00 3.84 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 85 P 0.00 4.81 0.00 2.10 2.23 0.00 3.70 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 1.96 1.95 0.00 86 I 8.77 4.33 2.04 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.96 0.96 0.00 0.00 87 K 8.70 3.97 0.00 1.73 1.76 0.00 1.73 0.00 0.00 1.72 0.00 0.00 3.13 0.00 0.00 3.20 0.00 0.00 0.00 0.00 1.45 1.52 7.81 88 G 8.89 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 89 E 7.73 4.54 0.00 2.20 1.94 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 2.45 2.42 0.00 90 G 8.78 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 91 N 9.05 5.10 0.00 3.00 3.01 0.00 0.00 7.04 6.69 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 92 G 8.30 4.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 V 8.91 4.43 2.01 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 0.97 0.00 0.00 0.91 0.00 0.00 94 V 8.31 4.80 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 0.75 0.00 0.00 -0.15 0.00 0.00 95 S 8.76 4.66 0.00 3.68 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 96 G 7.10 3.13 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 0.00 97 S 6.80 4.39 0.00 3.80 3.52 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 98 W 9.48 5.62 0.00 3.48 3.21 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 99 T 9.29 5.35 4.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 100 L 9.26 5.71 0.00 1.83 1.79 1.24 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 101 S 8.92 4.77 0.00 3.87 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 A 8.53 4.28 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 0.00 103 K 9.03 4.27 0.00 1.64 1.72 0.00 1.75 0.00 0.00 1.66 0.00 0.00 2.86 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.36 1.51 7.81 104 G 8.18 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 0.00 0.00 0.00 105 D 8.50 4.59 0.00 2.67 2.72 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 0.00 106 N 7.97 5.18 0.00 2.52 2.70 0.00 0.00 6.64 7.35 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 0.00 107 A 7.75 5.04 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 T 8.80 5.05 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 1.38 0.00 0.00 109 A 9.01 4.57 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 0.00 110 V 9.23 5.03 2.30 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 1.38 0.00 0.00 0.96 0.00 0.00 111 K 9.53 5.20 0.00 1.82 1.76 0.00 1.73 0.00 0.00 1.63 0.00 0.00 2.88 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.73 1.45 7.81 112 F 9.65 5.12 0.00 2.91 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 0.00 113 Q 7.65 4.75 0.00 1.86 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.52 0.00 0.00 0.00 0.00 0.00 2.30 2.29 0.00 114 T 8.50 4.72 4.31 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 1.31 0.00 0.00 115 S 8.87 5.17 0.00 3.55 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 0.00 116 A 9.02 4.84 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 E 9.03 4.94 0.00 1.78 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 2.11 2.32 0.00 118 L 8.80 5.11 0.00 1.50 1.54 0.82 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 119 T 8.95 4.98 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 0.00 120 V 8.82 4.55 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 0.78 0.00 0.00 1.02 0.00 0.00 121 P 0.00 4.85 0.00 2.18 2.10 0.00 3.74 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.99 0.00 122 L 7.15 4.80 0.00 1.64 1.61 0.94 1.15 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 0.00 123 P 0.00 4.29 0.00 2.18 2.01 0.00 3.63 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.10 0.00 124 S 8.86 4.28 0.00 4.00 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 L 8.03 3.91 0.00 1.61 1.77 0.92 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 126 L 8.17 4.52 0.00 1.83 1.65 0.93 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 127 K 8.12 3.80 0.00 1.95 1.82 0.00 1.62 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.44 1.50 7.81 128 L 7.83 4.02 0.00 1.65 1.72 0.92 0.77 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 0.00 129 A 7.87 4.15 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 0.00 130 I 7.97 3.97 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 1.53 0.65 0.93 0.00 0.00 131 S 8.05 4.13 0.00 3.91 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 0.00 132 P 0.00 4.24 0.00 2.16 2.11 0.00 3.61 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 2.20 2.15 0.00 133 V 7.90 3.63 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 1.16 0.00 0.00 0.94 0.00 0.00 134 I 7.74 3.77 2.02 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.05 0.95 0.00 0.00 135 K 8.38 4.08 0.00 1.95 1.89 0.00 1.64 0.00 0.00 1.57 0.00 0.00 2.89 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.41 1.64 7.81 136 H 8.61 4.17 0.00 3.39 3.52 0.00 5.78 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 137 E 8.63 3.98 0.00 2.17 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.43 0.00 138 F 8.47 4.09 0.00 3.36 3.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 139 N 8.69 4.47 0.00 2.94 2.88 0.00 0.00 6.67 8.34 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 0.00 140 S 8.00 3.99 0.00 3.81 3.99 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 0.00 141 L 7.81 3.73 0.00 1.55 1.23 0.92 0.63 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 0.00 142 V 7.25 3.39 2.19 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 0.86 0.00 0.00 0.91 0.00 0.00 143 D 7.96 4.49 0.00 2.82 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 0.00 144 T 7.85 4.00 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 1.14 0.00 0.00 145 Y 7.65 4.37 0.00 2.45 2.88 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 *147 A 7.93 4.22 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 148 N 8.61 4.41 0.00 2.90 2.97 0.00 0.00 7.05 6.51 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 0.00 149 L 8.03 3.69 0.00 1.42 1.46 0.12 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 150 K 7.51 4.06 0.00 1.80 1.96 0.00 1.77 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 3.22 0.00 0.00 0.00 0.00 1.46 1.48 7.81 151 K 7.61 4.46 0.00 1.94 1.77 0.00 1.71 0.00 0.00 1.64 0.00 0.00 3.08 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.37 1.54 7.81 152 A 7.90 3.94 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 7.82 4.76 0.00 2.97 2.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 154 L 7.31 3.88 0.00 1.68 1.78 0.92 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 155 E 8.33 4.26 0.00 2.01 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.06 0.00 156 H 8.71 4.34 0.00 3.03 3.16 0.00 5.97 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 0.00 157 H 7.78 4.33 0.00 3.02 3.02 0.00 5.74 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 158 H 8.69 5.11 0.00 2.98 2.73 0.00 5.74 0.00 0.00 0.00 0.00 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 159 H 7.82 4.43 0.00 3.16 3.22 0.00 5.56 0.00 0.00 0.00 0.00 6.91 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.