NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 35 S 4.3908 8.3349 115.2878 58.0802 64.3909 173.9926 36 F 4.4422 7.7838 119.0760 57.4678 39.4092 173.2623 37 L 4.8027 9.2039 124.3762 53.2736 44.5005 175.7741 38 Q 4.6116 8.3773 120.1137 54.8615 31.8018 174.7012 39 D 4.2910 8.3828 116.5334 55.3781 38.3161 174.7291 40 V 3.5650 7.3902 117.5023 60.6302 32.8086 173.5937 41 P 4.3831 0.0000 0.0000 62.2652 32.3788 176.6211 42 Y 3.8754 8.8263 117.8801 61.1103 37.8546 178.9104 43 W 4.4509 7.9834 114.4504 58.6484 28.4121 176.5968 44 M 3.9207 7.0771 117.9198 56.1931 31.7558 176.6413 45 L 4.0838 7.3544 119.5170 54.0637 42.2980 177.7482 46 Q 4.1518 8.4938 121.1905 57.8861 29.2062 176.1159 47 N 5.0422 7.6029 115.4344 53.6399 37.8733 175.3610 48 R 4.9084 7.9162 113.7639 56.3592 31.1580 177.8723 49 S 4.1403 8.4237 115.4194 61.4392 62.4776 175.5992 50 E 3.9056 7.9734 117.3862 58.5640 29.7687 175.7206 51 Y 4.7272 7.5613 119.0018 56.2800 36.5512 175.8795 52 I 3.7066 7.9644 124.9799 64.1906 37.8003 177.1619 53 T 4.2876 7.8092 108.2145 61.9692 69.7400 174.3886 54 Q 5.1367 7.9926 121.2891 54.7626 31.3997 175.2562 55 G 4.3617 8.7795 107.6384 44.9761 0.0000 171.8578 56 V 5.6091 8.2578 121.5483 60.1363 34.7391 173.7822 57 D 4.9506 8.5924 125.4600 53.8068 44.9458 173.0401 58 S 5.0946 8.2775 113.9025 56.5995 66.4665 173.1048 59 S 4.6795 8.5810 113.9719 56.5868 65.8544 172.3074 60 H 4.9158 8.7434 125.5601 55.8476 30.7020 174.5973 61 I 4.0100 8.3277 127.3309 61.1189 37.5638 176.0114 62 V 4.3718 8.1399 119.9714 58.8047 34.9000 174.6907 63 D 4.4692 8.6447 123.5105 55.9993 41.2544 176.3552 64 G 4.0608 9.1035 114.5862 45.0158 0.0000 173.0912 65 K 4.5635 7.5077 119.3468 54.1843 34.0753 176.4751 66 K 4.2761 8.3016 121.9788 56.4932 33.8099 177.7991 67 T 3.8733 8.7005 117.6277 67.4579 68.3408 176.4941 68 E 3.9817 8.1125 119.6277 59.1153 29.5445 178.7937 69 E 3.9683 8.2411 119.6877 59.1694 29.7121 178.9356 70 I 3.7004 7.6618 119.4367 64.4699 37.2327 178.0706 71 E 4.0334 8.4546 119.6291 59.3547 29.1628 179.6398 72 K 4.0389 8.0419 118.4105 59.3835 32.0364 179.5283 73 I 3.6803 7.8202 119.8980 64.3180 36.9843 178.2889 74 A 3.9969 8.0244 121.5686 55.5265 18.2011 179.8217 75 T 3.8271 8.3528 114.6301 66.5365 68.4474 176.7262 76 K 4.0602 8.3414 121.7325 59.8148 32.1732 179.0681 77 R 3.9206 8.4798 118.4509 59.1924 29.8476 178.9036 78 A 4.0564 8.4747 121.0014 55.4780 18.3184 179.8920 79 T 3.9599 8.0595 114.4136 66.8045 68.5599 177.1117 80 I 3.9255 8.2777 122.0633 64.3234 37.0262 178.2577 81 R 4.1044 8.3778 119.8883 59.4729 29.8670 178.6186 82 V 3.5696 7.7219 117.3989 66.0417 31.4819 177.7106 83 A 4.0672 8.0395 120.3630 55.5184 18.2079 179.6021 84 Q 3.9252 8.6680 116.7854 59.0951 28.6210 178.7882 85 N 4.3563 8.5215 117.9305 56.3865 38.5857 177.4871 86 I 3.5992 7.8229 121.0015 64.3565 37.2479 178.4491 87 V 3.6100 7.9520 119.2426 66.6015 31.2909 177.7349 88 H 4.1320 8.2932 115.7131 58.8165 28.4536 177.9826 89 K 3.9868 7.8979 120.1132 59.4043 31.8635 179.4051 90 L 4.0486 8.0827 119.3342 57.6511 41.5165 179.8043 91 K 3.1185 7.7429 118.4766 59.1627 31.9108 179.3089 92 E 3.9483 8.1586 118.6768 59.3422 29.1359 179.3149 93 A 4.0413 8.0245 120.0666 55.2182 18.4837 178.7754 94 Y 4.3951 8.0785 117.4939 60.7602 39.0315 177.6006 95 L 4.0587 7.9901 118.5553 55.6994 42.4819 177.5340 96 S 4.2016 7.3616 114.3193 57.8257 62.8306 175.0250 97 K 3.8413 8.6899 125.2952 60.0386 32.0641 177.7043 98 T 4.1358 7.7249 107.5950 61.9236 69.2429 174.5155 99 N 4.2846 7.8443 121.9687 54.5229 39.1372 174.4084 100 R 4.4923 8.4086 121.9001 55.7775 31.6036 175.7823 101 I 4.1513 8.0696 120.4483 61.0131 37.0629 176.2292 102 K 4.1611 9.0820 126.6424 58.7969 32.3322 178.1647 103 Q 4.0234 7.9722 118.7936 55.7100 29.4537 175.5260 104 K 4.2538 8.6119 125.7396 56.3209 32.4829 175.9807 105 I 4.1202 8.5326 128.3088 59.4093 38.9984 176.4523 106 T 4.4334 7.9324 116.1145 60.5065 71.5460 175.0925 107 N 4.4814 8.6933 119.1654 57.1181 38.9156 176.6053 108 E 3.9920 8.1744 119.4065 59.6248 29.3709 179.0729 109 M 4.1617 7.8051 117.8635 58.3607 32.3058 178.3652 110 F 4.3171 8.1858 117.9444 60.7710 39.1062 177.7198 111 I 3.7629 8.0887 119.3757 64.6310 36.6837 178.5411 112 Q 4.0908 7.9391 117.6465 58.8889 28.8114 178.2536 113 M 4.2597 8.0960 119.2337 57.5623 31.8596 178.5800 114 T 3.9234 7.8440 116.8870 66.6274 68.6296 176.2199 115 Q 3.9788 7.9901 120.8398 58.8422 29.3570 176.1543 116 P 4.4724 0.0000 0.0000 65.4974 31.1079 178.7258 117 I 3.7847 7.7421 118.0142 64.4614 37.3932 177.2383 118 Y 4.2481 8.3886 120.7350 61.2040 38.3860 178.2433 119 D 4.5127 8.7253 118.5236 57.0719 41.1160 178.3436 120 S 4.3760 7.9911 113.3418 58.8824 63.5507 174.3665 121 L 4.4924 7.2887 123.2710 55.1216 42.0273 176.2573 122 M 4.6471 8.6666 121.9188 54.4465 35.7615 175.1056 123 N 4.1602 8.4399 116.3478 54.3079 36.1113 175.7927 124 V 4.0695 7.4018 116.3006 62.1456 31.8755 174.1968 125 D 4.7618 8.7809 128.7553 53.0465 42.5469 176.0351 126 R 4.4535 8.5630 124.2559 56.2964 30.1736 175.7495 127 L 4.4462 8.5768 126.5830 54.6430 43.0187 176.5847 128 G 4.0718 6.9224 104.2170 45.7538 0.0000 172.4298 129 I 5.5683 8.8132 120.7398 59.5990 40.9710 174.4656 130 Y 4.8544 9.6956 127.0115 56.0395 42.1263 173.6774 131 I 4.4560 7.8122 127.2550 59.8925 38.9515 174.8240 132 N 4.6633 9.0668 127.5566 51.7501 38.9336 173.9204 133 P 4.4396 0.0000 0.0000 64.8928 32.0317 177.6184 134 N 4.5200 8.5433 116.9214 55.6597 38.5054 175.5899 135 N 4.7545 8.3040 112.0759 52.1163 40.6308 173.9709 136 E 3.8152 8.1701 117.7400 57.8986 27.4898 173.8113 137 E 5.0294 7.7748 117.0138 54.5172 33.6757 176.7871 138 V 4.5807 8.7940 124.9514 61.7698 33.0944 174.4486 139 F 5.4292 9.9934 127.4750 56.0485 41.4053 174.8013 140 A 5.3243 9.2242 124.2657 50.0815 22.3703 174.6725 141 L 4.8251 8.1016 122.9829 53.2497 44.2143 175.8006 142 V 4.9111 8.5661 118.7232 59.4908 36.0399 174.5189 143 R 5.0810 8.7103 122.0602 54.5896 33.1943 173.8051 144 A 4.6530 8.8526 129.0856 51.5824 18.7812 177.5855 145 R 4.1606 8.8664 122.8217 59.0663 31.2256 176.5530 146 G 3.6149 7.6560 104.2830 45.9745 0.0000 172.1743 147 F 5.2369 8.0718 113.4080 55.6188 41.3913 173.8410 148 D 4.3760 8.8461 120.7667 52.6279 41.1159 177.1347 149 K 3.7585 7.8386 127.5144 59.6884 32.5855 178.7917 150 D 4.2628 7.9628 119.6388 57.1464 40.9006 178.2075 151 A 3.9804 8.3881 121.4033 55.0272 18.2946 179.4729 152 L 3.9853 8.1425 118.8308 58.3755 42.1714 179.1445 153 S 4.1585 8.3034 115.2833 61.9239 62.8419 176.6898 154 E 4.1379 8.4883 121.2044 59.4085 28.9662 179.7732 155 G 3.6231 8.0463 104.7531 47.8024 0.0000 175.5385 156 L 4.1567 8.3819 121.9071 57.8398 41.5006 179.3091 157 H 4.2410 8.6407 116.6148 58.6865 28.3959 177.7996 158 K 4.1814 7.8943 119.0862 58.4576 31.9178 177.8579 159 M 4.3142 7.5882 117.2109 54.6660 32.2682 175.4560 160 S 3.8531 7.6872 111.6546 59.9608 60.7650 170.7077 161 L 4.5787 7.8147 119.1672 53.5978 42.9195 177.1992 162 D 4.7412 8.9175 123.4236 52.2938 42.0645 177.4091 163 N 4.3238 8.6481 116.5882 56.6366 38.5786 177.2580 164 Q 3.9408 8.1500 119.8601 59.1235 29.2292 177.9645 165 A 3.9979 8.7517 122.0647 55.2531 18.3795 179.7318 166 V 3.5173 8.0693 117.3138 66.1973 31.6053 178.3887 167 S 4.1537 8.2678 114.0491 61.4333 62.7953 176.6315 168 I 3.8031 7.7495 123.0303 64.0708 36.9907 178.1628 169 L 4.0503 8.3736 120.2891 57.9045 41.3779 179.8546 170 V 3.7134 8.2325 118.1016 65.9860 31.5371 177.6980 171 A 4.0798 8.1289 120.5289 55.4564 18.1808 179.8380 172 K 4.0035 8.2380 116.7949 59.5015 32.0901 179.8702 173 V 3.4721 7.9312 118.6648 65.7923 31.2877 177.7871 174 E 4.3653 8.6384 118.7703 59.7353 29.3074 179.0560 175 E 3.9729 8.3874 119.1371 59.2206 29.4496 178.8109 176 I 3.5893 7.6271 119.0254 64.5075 37.5643 178.1430 177 F 4.1537 8.2349 118.5406 60.1629 38.5140 177.5711 178 K 3.9748 8.2693 118.6689 59.9247 32.1040 178.4076 179 D 4.5198 8.2121 117.8173 56.9660 40.7448 178.5642 180 S 4.1955 7.7968 116.4278 61.5587 63.0823 175.2648 *181 V 3.9052 7.6809 123.4571 60.8912 32.1594 179.4685 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 35 S 8.33 4.39 0.00 3.75 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 F 7.78 4.44 0.00 3.14 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 37 L 9.20 4.80 0.00 1.61 1.66 1.05 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 38 Q 8.38 4.61 0.00 2.04 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.83 0.00 0.00 0.00 0.00 0.00 2.30 2.31 0.00 39 D 8.38 4.29 0.00 2.85 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 40 V 7.39 3.57 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 0.23 0.00 0.00 0.74 0.00 0.00 41 P 0.00 4.38 0.00 1.50 1.97 0.00 2.65 0.00 0.00 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 1.27 0.00 42 Y 8.83 3.88 0.00 2.94 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 43 W 7.98 4.45 0.00 3.44 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 44 M 7.08 3.92 0.00 1.24 1.33 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.81 0.00 45 L 7.35 4.08 0.00 1.60 1.43 0.50 0.36 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 46 Q 8.49 4.15 0.00 1.94 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 7.54 0.00 0.00 0.00 0.00 0.00 2.33 2.41 0.00 47 N 7.60 5.04 0.00 2.80 2.84 0.00 0.00 6.76 7.51 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 48 R 7.92 4.91 0.00 2.02 2.24 0.00 3.57 0.00 0.00 3.39 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.79 0.00 49 S 8.42 4.14 0.00 3.81 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 50 E 7.97 3.91 0.00 1.74 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 1.47 1.47 0.00 51 Y 7.56 4.73 0.00 3.10 2.91 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 52 I 7.96 3.71 1.73 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.65 0.80 0.00 0.00 53 T 7.81 4.29 4.39 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 0.00 0.00 0.00 0.51 0.00 0.00 54 Q 7.99 5.14 0.00 2.13 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.64 0.00 0.00 0.00 0.00 0.00 2.25 2.29 0.00 55 G 8.78 4.36 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 0.00 56 V 8.26 5.61 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 1.17 0.00 0.00 1.18 0.00 0.00 57 D 8.59 4.95 0.00 2.81 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 58 S 8.28 5.09 0.00 3.08 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 59 S 8.58 4.68 0.00 3.90 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 60 H 8.74 4.92 0.00 3.23 3.17 0.00 5.97 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 61 I 8.33 4.01 1.75 0.00 0.00 0.82 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 0.70 0.86 0.00 0.00 62 V 8.14 4.37 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 0.82 0.00 0.00 0.93 0.00 0.00 63 D 8.64 4.47 0.00 2.60 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 64 G 9.10 4.06 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 0.00 0.00 0.00 65 K 7.51 4.56 0.00 1.91 1.72 0.00 1.70 0.00 0.00 1.86 0.00 0.00 2.94 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.50 1.34 7.81 66 K 8.30 4.28 0.00 2.20 1.93 0.00 1.65 0.00 0.00 1.82 0.00 0.00 2.83 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.49 1.03 7.81 67 T 8.70 3.87 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 1.22 0.00 0.00 68 E 8.11 3.98 0.00 2.06 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 0.00 2.40 2.43 0.00 69 E 8.24 3.97 0.00 2.06 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 2.31 2.35 0.00 70 I 7.66 3.70 1.99 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 1.62 0.80 0.89 0.00 0.00 71 E 8.45 4.03 0.00 2.02 2.02 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 2.36 2.57 0.00 72 K 8.04 4.04 0.00 2.10 1.87 0.00 1.49 0.00 0.00 2.12 0.00 0.00 3.05 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.47 1.54 7.81 73 I 7.82 3.68 1.98 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 1.45 0.83 0.90 0.00 0.00 74 A 8.02 4.00 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 T 8.35 3.83 4.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 76 K 8.34 4.06 0.00 1.95 2.01 0.00 1.58 0.00 0.00 1.68 0.00 0.00 2.93 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.41 1.61 7.81 77 R 8.48 3.92 0.00 2.03 2.19 0.00 3.23 0.00 0.00 3.19 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.80 0.00 78 A 8.47 4.06 1.48 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 79 T 8.06 3.96 4.67 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 1.04 0.00 0.00 80 I 8.28 3.93 2.04 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.61 0.91 0.00 0.00 81 R 8.38 4.10 0.00 1.97 2.24 0.00 3.21 0.00 0.00 3.15 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.75 0.00 82 V 7.72 3.57 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 1.04 0.00 0.00 1.10 0.00 0.00 83 A 8.04 4.07 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 0.00 0.00 0.00 0.00 0.00 84 Q 8.67 3.93 0.00 2.24 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.74 0.00 0.00 0.00 0.00 0.00 2.39 2.59 0.00 85 N 8.52 4.36 0.00 2.94 2.86 0.00 0.00 7.01 6.87 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 86 I 7.82 3.60 2.01 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.69 0.85 0.00 0.00 87 V 7.95 3.61 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 1.08 0.00 0.00 1.07 0.00 0.00 88 H 8.29 4.13 0.00 3.35 3.27 0.00 5.69 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 K 7.90 3.99 0.00 1.83 1.82 0.00 1.64 0.00 0.00 1.61 0.00 0.00 2.89 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.55 1.56 7.81 90 L 8.08 4.05 0.00 1.92 1.92 0.99 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 91 K 7.74 3.12 0.00 1.72 1.51 0.00 1.52 0.00 0.00 1.43 0.00 0.00 2.79 0.00 0.00 2.77 0.00 0.00 0.00 0.00 0.30 0.84 7.81 92 E 8.16 3.95 0.00 2.12 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 2.29 2.45 0.00 93 A 8.02 4.04 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 94 Y 8.08 4.40 0.00 3.29 3.37 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 0.00 95 L 7.99 4.06 0.00 1.68 1.70 0.93 0.70 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 96 S 7.36 4.20 0.00 3.95 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 97 K 8.69 3.84 0.00 1.88 1.93 0.00 1.61 0.00 0.00 1.74 0.00 0.00 3.02 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.39 1.43 7.81 98 T 7.72 4.14 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 1.20 0.00 0.00 99 N 7.84 4.28 0.00 2.86 2.70 0.00 0.00 6.95 7.23 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 0.00 100 R 8.41 4.49 0.00 1.82 1.92 0.00 3.27 0.00 0.00 3.23 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.80 0.00 101 I 8.07 4.15 2.31 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.59 1.13 0.00 0.00 102 K 9.08 4.16 0.00 1.88 1.89 0.00 1.88 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.49 1.43 7.81 103 Q 7.97 4.02 0.00 2.18 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.98 0.00 0.00 0.00 0.00 0.00 2.30 2.35 0.00 104 K 8.61 4.25 0.00 2.07 1.74 0.00 1.89 0.00 0.00 1.70 0.00 0.00 2.91 0.00 0.00 2.62 0.00 0.00 0.00 0.00 1.42 1.03 7.81 105 I 8.53 4.12 0.56 0.00 0.00 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.62 -0.53 0.00 0.00 106 T 7.93 4.43 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 1.21 0.00 0.00 107 N 8.69 4.48 0.00 2.88 2.92 0.00 0.00 6.88 7.65 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 0.00 108 E 8.17 3.99 0.00 2.09 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 2.41 2.48 0.00 109 M 7.81 4.16 0.00 1.74 2.06 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.48 0.00 110 F 8.19 4.32 0.00 3.21 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 0.00 111 I 8.09 3.76 2.05 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 1.54 0.91 0.92 0.00 0.00 112 Q 7.94 4.09 0.00 2.20 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.98 0.00 0.00 0.00 0.00 0.00 2.38 2.39 0.00 113 M 8.10 4.26 0.00 2.12 2.36 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.74 2.54 0.00 114 T 7.84 3.92 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 1.24 0.00 0.00 115 Q 7.99 3.98 0.00 2.14 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.89 0.00 0.00 0.00 0.00 0.00 2.42 2.72 0.00 116 P 0.00 4.47 0.00 2.25 2.13 0.00 3.80 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 2.13 2.20 0.00 117 I 7.74 3.78 2.15 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 0.60 0.97 0.00 0.00 118 Y 8.39 4.25 0.00 3.15 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 0.00 119 D 8.73 4.51 0.00 2.87 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 0.00 120 S 7.99 4.38 0.00 4.39 4.34 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 0.00 121 L 7.29 4.49 0.00 1.60 1.62 0.93 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 122 M 8.67 4.65 0.00 1.90 1.79 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.38 0.00 123 N 8.44 4.16 0.00 2.87 2.80 0.00 0.00 6.58 7.68 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 0.00 124 V 7.40 4.07 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 0.78 0.00 0.00 0.92 0.00 0.00 125 D 8.78 4.76 0.00 2.59 2.53 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 0.00 126 R 8.56 4.45 0.00 1.80 1.82 0.00 3.21 0.00 0.00 3.23 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.61 0.00 127 L 8.58 4.45 0.00 1.19 1.50 0.78 0.80 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 0.00 128 G 6.92 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 0.00 0.00 0.00 0.00 129 I 8.81 5.57 2.01 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 1.31 1.06 1.03 0.00 0.00 130 Y 9.70 4.85 0.00 2.77 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 0.00 131 I 7.81 4.46 1.66 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.65 0.82 0.00 0.00 132 N 9.07 4.66 0.00 3.10 2.97 0.00 0.00 6.54 7.49 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 0.00 133 P 0.00 4.44 0.00 2.22 2.14 0.00 3.85 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.99 0.00 134 N 8.54 4.52 0.00 2.98 2.96 0.00 0.00 6.84 7.36 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 0.00 135 N 8.30 4.75 0.00 2.80 2.91 0.00 0.00 6.94 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 0.00 136 E 8.17 3.82 0.00 2.20 1.92 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 2.22 2.27 0.00 137 E 7.77 5.03 0.00 1.96 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 2.52 2.24 0.00 138 V 8.79 4.58 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 1.01 0.00 0.00 0.92 0.00 0.00 139 F 9.99 5.43 0.00 3.42 3.36 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 0.00 140 A 9.22 5.32 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 0.00 141 L 8.10 4.83 0.00 0.27 0.18 0.84 -0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 142 V 8.57 4.91 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 0.72 0.00 0.00 0.97 0.00 0.00 143 R 8.71 5.08 0.00 1.77 1.68 0.00 3.04 0.00 0.00 3.17 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.56 0.00 144 A 8.85 4.65 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 0.00 145 R 8.87 4.16 0.00 1.85 2.03 0.00 3.21 0.00 0.00 3.24 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.61 0.00 146 G 7.66 3.61 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 0.00 0.00 0.00 147 F 8.07 5.24 0.00 3.02 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 0.00 148 D 8.85 4.38 0.00 2.60 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 0.00 149 K 7.84 3.76 0.00 1.94 1.47 0.00 1.53 0.00 0.00 1.95 0.00 0.00 2.91 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.26 1.38 7.81 150 D 7.96 4.26 0.00 2.80 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 0.00 151 A 8.39 3.98 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 152 L 8.14 3.99 0.00 2.05 2.04 1.05 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 153 S 8.30 4.16 0.00 4.10 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 0.00 154 E 8.49 4.14 0.00 2.14 2.02 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 2.36 2.63 0.00 155 G 8.05 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 0.00 156 L 8.38 4.16 0.00 1.77 1.67 0.94 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 157 H 8.64 4.24 0.00 3.31 3.32 0.00 5.62 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 158 K 7.89 4.18 0.00 1.93 1.88 0.00 1.70 0.00 0.00 1.65 0.00 0.00 2.98 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.48 1.55 7.81 159 M 7.59 4.31 0.00 1.97 2.21 0.00 0.00 0.00 0.00 0.00 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.53 0.00 160 S 7.69 3.85 0.00 4.00 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 0.00 161 L 7.81 4.58 0.00 1.68 1.50 0.80 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 162 D 8.92 4.74 0.00 2.94 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 0.00 163 N 8.65 4.32 0.00 2.78 2.96 0.00 0.00 6.43 7.89 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 0.00 164 Q 8.15 3.94 0.00 2.13 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.91 0.00 0.00 0.00 0.00 0.00 2.46 2.45 0.00 165 A 8.75 4.00 1.39 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 0.00 0.00 0.00 0.00 0.00 0.00 166 V 8.07 3.52 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 1.05 0.00 0.00 0.78 0.00 0.00 167 S 8.27 4.15 0.00 4.12 4.21 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 0.00 168 I 7.75 3.80 2.04 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 1.56 1.02 0.97 0.00 0.00 169 L 8.37 4.05 0.00 1.80 1.77 0.89 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 170 V 8.23 3.71 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 1.29 0.00 0.00 1.08 0.00 0.00 171 A 8.13 4.08 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 0.00 172 K 8.24 4.00 0.00 1.97 1.89 0.00 1.72 0.00 0.00 1.60 0.00 0.00 2.96 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.62 1.67 7.81 173 V 7.93 3.47 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 0.05 0.00 0.00 0.86 0.00 0.00 174 E 8.64 4.37 0.00 2.40 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 2.77 2.90 0.00 175 E 8.39 3.97 0.00 2.09 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 2.44 2.37 0.00 176 I 7.63 3.59 1.80 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 1.42 0.74 0.52 0.00 0.00 177 F 8.23 4.15 0.00 3.22 3.18 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 0.00 178 K 8.27 3.97 0.00 1.82 2.13 0.00 1.83 0.00 0.00 1.75 0.00 0.00 3.05 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.49 1.54 7.81 179 D 8.21 4.52 0.00 2.79 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 0.00 180 S 7.80 4.20 0.00 4.05 4.06 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 *181 V 7.68 3.91 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 0.68 0.00 0.00 0.93 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.