NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 36 S 4.3546 8.3344 115.2877 57.9463 63.4836 172.8802 37 V 3.6997 8.2558 127.9817 61.0256 32.3974 173.8063 38 P 4.3266 0.0000 0.0000 62.4344 33.6940 176.3505 39 Q 3.8850 8.7674 123.2754 59.7619 29.0038 179.1669 40 A 4.1140 7.9528 119.3126 55.1349 18.5962 178.9884 41 Q 4.0973 7.8575 117.6304 59.4738 29.2814 179.0405 42 T 3.9381 7.6675 114.6257 63.9947 68.1610 175.8061 *44 L 4.1911 7.8600 124.0016 55.2169 43.9884 178.8965 45 V 3.6620 8.1704 118.0443 66.1523 31.3734 177.7609 46 E 3.9340 8.7253 118.6589 59.2755 28.8940 179.0366 47 R 3.8580 7.6431 117.9648 60.1077 30.0550 178.2112 48 H 4.2458 7.9984 116.3112 57.8763 28.7282 177.5374 49 L 4.1445 8.1047 120.1467 57.6571 41.5147 178.9713 50 A 4.2481 8.0512 119.4815 53.5927 18.8477 177.9473 51 S 4.5181 7.6154 109.6785 57.4512 64.7863 173.4289 52 L 4.2530 8.3123 124.7074 53.9942 42.3275 176.9558 53 T 4.2549 8.9625 117.6889 61.0725 70.8212 175.3970 54 G 3.9208 8.7100 109.3901 48.6066 0.0000 175.6035 55 D 4.2472 7.8979 120.9399 56.9047 40.8762 178.6941 56 E 3.6179 7.5642 118.6564 58.9535 29.4325 179.1051 57 A 3.8892 8.1872 121.2444 55.3601 18.5192 179.9738 58 R 3.7599 8.2277 116.9161 59.0760 30.0692 179.0937 59 L 3.7642 8.0030 120.6016 58.0069 41.9907 178.9188 60 L 3.6291 7.8360 119.0839 57.5634 40.8881 179.4603 61 A 3.3157 7.2712 121.5281 54.2550 18.0764 179.4396 62 A 3.9673 7.5467 118.0611 55.4676 18.7264 179.6216 63 L 4.0824 7.9102 117.6747 57.7527 41.3113 179.8376 64 S 4.1219 8.1881 114.4778 61.3626 62.6328 176.2334 65 D 4.5059 7.5574 120.8079 55.5053 40.5907 177.0424 66 G 4.0071 8.2786 105.7348 45.0063 0.0000 174.3190 67 S 3.7751 7.8081 114.8173 58.9405 63.3272 173.5895 68 A 4.7107 7.5768 123.9818 50.1448 21.6704 175.2027 69 F 5.0032 8.6432 119.5191 54.9716 43.5372 174.5486 70 A 4.2938 8.5016 122.4167 52.0210 19.5397 176.2731 71 L 5.0017 9.1553 123.6775 53.2734 45.6007 174.9550 72 L 5.2790 9.4101 126.2914 53.3469 44.5442 175.4623 73 T 5.1187 8.9749 119.8362 61.8437 71.9942 172.8262 74 L 5.3154 9.2902 127.4985 53.7866 43.6917 175.4585 75 Y 5.2804 8.9239 121.1522 55.1352 42.6516 174.0713 76 S 4.2749 8.7682 115.8520 58.1110 63.2757 174.1280 77 G 4.5769 8.2707 113.9592 45.5712 0.0000 173.1621 78 S 4.5920 7.5599 116.7707 57.0288 63.7755 176.0022 79 R 3.9717 8.2926 123.4040 58.6105 29.9534 177.4047 80 F 5.0437 7.7622 114.6797 57.2245 39.2759 175.4681 81 S 4.7660 7.7268 116.5054 56.6325 64.5691 174.4024 82 R 4.1350 8.5192 115.7926 56.2640 29.6394 176.3481 83 G 4.2829 7.8882 106.7999 46.0905 0.0000 174.2133 84 E 4.1674 8.0256 116.3150 55.3872 30.5826 176.1916 85 V 3.9968 8.2195 120.6164 63.2652 32.1144 175.6103 86 L 4.7095 8.6644 126.3163 55.6727 43.6876 176.0966 87 Y 4.7417 7.4712 116.2495 56.9071 41.6001 172.9789 88 R 5.3510 7.7118 123.2157 54.8165 34.9119 173.4622 89 Y 4.8144 9.1594 122.0876 56.5318 42.8082 173.5946 90 S 4.9094 7.7125 117.6127 56.8254 65.9348 172.9536 91 N 4.6779 8.3017 118.4539 52.4584 37.6220 175.6437 92 A 3.3146 7.9320 124.2369 55.5518 19.4268 179.3089 93 G 3.6710 7.7185 107.2611 47.1418 0.0000 176.7625 94 R 3.8132 8.7267 119.3881 59.0131 29.5423 177.0191 95 A 4.0841 8.1594 120.3933 55.3139 18.1549 178.5300 96 A 3.9996 7.3202 115.4785 52.6212 18.6334 178.0227 97 G 3.7829 8.5946 104.4720 46.1438 0.0000 174.0120 98 I 3.9591 7.5610 121.2217 60.9920 37.2058 176.6207 99 Q 4.0626 9.6817 126.2926 57.9574 29.0077 175.7615 100 C 4.5019 8.3320 118.7493 56.9233 31.1323 173.4661 101 N 4.4547 8.2857 124.5898 55.2397 39.1142 176.4319 102 D 4.3667 7.9150 117.1256 57.3629 41.0032 177.8247 103 F 4.8805 7.7200 115.5361 57.1624 39.0211 177.2645 104 I 3.6283 7.3860 121.4891 64.2092 37.6264 177.8346 105 A 4.0435 7.8152 122.3776 54.5332 18.2382 179.4574 106 L 3.9205 7.7106 117.0768 58.0928 41.6529 179.2109 107 Y 4.9705 7.7498 118.1429 60.6642 37.7336 178.4540 108 L 4.1119 8.3260 120.1849 57.7782 41.7422 178.7372 109 N 4.3177 8.4211 117.2568 57.2531 38.7980 176.3588 110 H 4.2661 8.3382 119.1970 59.3565 30.0611 177.2594 111 L 3.9451 8.3737 121.2131 57.7758 41.3768 179.6072 112 F 4.0626 8.6824 117.8688 60.3670 38.6528 177.5461 113 A 4.1059 8.1298 119.5748 55.2215 18.3087 178.9172 114 Q 4.2907 8.0605 113.2968 55.6086 28.8936 176.6730 115 G 3.9356 7.8095 107.8906 46.5229 0.0000 174.7244 116 L 4.4904 7.8313 119.8485 55.2674 42.8086 176.6727 117 V 4.9160 7.2305 110.5786 59.4105 36.1674 174.2336 118 I 4.8754 8.5512 114.4663 59.2222 41.5049 174.0013 119 A 5.3299 8.9482 124.7726 50.6918 20.6414 176.4003 120 S 4.7974 9.1228 118.4836 56.6639 66.3922 173.3748 121 D 4.8102 8.6679 119.0861 54.1017 41.4285 176.4255 122 F 3.9635 8.7342 121.6288 59.4983 39.9441 174.6581 123 T 4.3170 8.1846 122.5613 61.4545 70.0698 175.0917 124 E 3.8408 8.6905 126.7121 59.4974 29.7662 179.1988 125 S 4.0250 8.0229 111.7555 61.0952 62.5047 175.1169 126 L 4.2853 7.7341 118.1997 54.0558 41.4393 177.8886 127 R 4.3420 7.8853 121.5122 60.3817 29.8623 178.4332 128 T 4.0879 7.8703 114.5519 66.6798 68.5298 176.1362 129 D 4.3194 7.9912 120.3293 57.7222 40.8508 178.3945 130 Y 4.3304 7.7511 116.9421 61.2648 37.6624 178.6262 131 E 4.0825 8.1885 118.4343 59.2624 29.8577 179.2372 132 L 4.1507 8.2055 119.2443 58.1759 41.8337 179.0667 133 C 4.2142 8.5895 116.9386 63.3396 27.8907 176.3388 134 E 3.8564 8.1788 118.9470 58.7885 29.0827 178.9002 135 G 3.8478 7.8855 104.0208 45.0266 0.0000 174.0547 136 D 4.5526 7.3817 121.3508 54.4436 41.7560 177.3062 137 S 4.1152 9.0142 119.7432 62.2712 62.8743 177.0935 138 D 4.3246 8.0406 120.6609 57.1044 40.5528 178.5018 139 F 3.8313 7.6296 120.6331 61.4080 39.4159 177.3884 140 R 3.7255 8.1863 117.7748 58.7805 29.6978 179.3453 141 K 3.8022 8.1769 118.5988 59.2852 32.0087 179.1582 142 A 3.5874 7.4381 120.9601 54.9261 18.1088 179.3269 143 Q 3.4999 7.4685 117.8519 59.2453 28.6036 178.5940 144 A 3.8912 7.9773 121.8887 54.9248 18.1429 179.2833 145 E 3.8707 8.0781 116.6117 59.8087 29.8952 179.4828 146 L 4.0939 7.9526 118.8945 57.5929 41.3844 179.2664 147 Q 3.8711 7.8303 118.9195 59.1025 29.0061 177.2678 148 I 3.6998 6.9327 118.6018 64.3689 37.1787 176.4650 149 H 4.8049 7.9227 113.2412 55.7049 30.1397 175.0231 150 L 4.7096 7.7916 120.0898 51.5462 41.8013 175.0379 151 P 4.2478 0.0000 0.0000 65.3852 31.9464 177.7626 152 K 4.3709 7.7878 117.4545 56.1618 33.0229 176.5528 153 L 4.1716 7.6874 122.9111 56.1208 42.3111 176.5003 154 S 4.7390 8.8289 122.0295 56.6055 66.2080 172.7548 155 I 5.2124 8.2223 121.2544 59.3237 40.7498 174.4160 156 R 4.7190 9.1644 128.7988 54.6247 32.9913 174.0841 157 R 4.7900 8.5783 125.4397 55.4616 31.4053 175.4042 158 E 4.9745 9.4648 122.9650 55.2043 35.0349 174.0247 159 T 5.1405 8.9883 116.3836 62.0163 72.0534 173.4182 160 L 4.9620 9.0282 129.1197 54.5496 43.6226 175.6898 161 R 4.9047 8.5390 123.3079 54.4624 35.2875 174.2338 162 I 4.1928 8.2611 120.7410 61.1550 39.1072 174.9137 163 S 4.7079 8.3861 121.4479 56.0638 65.6487 173.3609 164 P 4.2555 0.0000 0.0000 65.6421 30.8034 179.0359 165 L 4.1049 7.9265 117.6763 57.6069 41.6296 179.5153 166 G 3.5762 8.1884 105.7443 47.7408 0.0000 175.9437 167 R 4.0141 8.1401 120.5630 59.0210 30.0522 178.8590 168 Q 3.9447 8.1990 119.2595 59.1742 28.8670 178.1500 169 L 3.9215 7.9637 120.1088 57.9511 42.2405 178.3607 170 W 4.4321 8.1566 127.1033 60.6880 30.6936 177.6955 171 T 3.9396 7.9582 114.9019 66.4832 67.9743 177.8250 172 L 3.9878 7.6003 117.6989 55.2224 41.7604 177.4198 *174 T 3.7703 7.9495 114.8272 61.8241 68.9590 173.4279 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 36 S 8.33 4.35 0.00 3.84 3.84 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 37 V 8.26 3.70 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.00 0.00 0.91 0.00 0.00 38 P 0.00 4.33 0.00 2.19 1.95 0.00 3.68 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 2.10 2.14 0.00 39 Q 8.77 3.88 0.00 2.01 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 7.06 0.00 0.00 0.00 0.00 0.00 2.35 2.53 0.00 40 A 7.95 4.11 1.31 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 41 Q 7.86 4.10 0.00 2.12 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 7.09 0.00 0.00 0.00 0.00 0.00 2.41 2.43 0.00 42 T 7.67 3.94 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 1.20 0.00 0.00 *44 L 7.86 4.19 0.00 1.91 1.87 0.98 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 45 V 8.17 3.66 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 1.04 0.00 0.00 0.95 0.00 0.00 46 E 8.73 3.93 0.00 2.00 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 2.33 2.43 0.00 47 R 7.64 3.86 0.00 1.86 2.10 0.00 2.96 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 1.61 0.00 48 H 8.00 4.25 0.00 3.39 3.38 0.00 5.96 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 49 L 8.10 4.14 0.00 1.76 1.75 0.91 1.02 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 50 A 8.05 4.25 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 S 7.62 4.52 0.00 3.97 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 52 L 8.31 4.25 0.00 1.82 1.69 1.02 1.10 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 53 T 8.96 4.25 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 54 G 8.71 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 55 D 7.90 4.25 0.00 2.21 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 0.00 0.00 0.00 0.00 56 E 7.56 3.62 0.00 2.02 1.88 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 2.23 1.65 0.00 57 A 8.19 3.89 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 58 R 8.23 3.76 0.00 1.86 2.10 0.00 3.19 0.00 0.00 3.08 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.75 0.00 59 L 8.00 3.76 0.00 1.60 1.61 0.73 0.43 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 60 L 7.84 3.63 0.00 1.03 0.79 0.92 0.48 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 61 A 7.27 3.32 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 62 A 7.55 3.97 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 L 7.91 4.08 0.00 1.74 1.65 0.87 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 64 S 8.19 4.12 0.00 4.12 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 65 D 7.56 4.51 0.00 2.89 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 66 G 8.28 4.01 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 0.00 67 S 7.81 3.78 0.00 3.80 3.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 A 7.58 4.71 0.99 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 69 F 8.64 5.00 0.00 2.96 2.83 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 0.00 0.00 0.00 70 A 8.50 4.29 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 L 9.16 5.00 0.00 1.92 1.72 1.13 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 72 L 9.41 5.28 0.00 1.55 1.49 0.02 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 73 T 8.97 5.12 4.30 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 1.22 0.00 0.00 74 L 9.29 5.32 0.00 1.74 1.63 0.60 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 75 Y 8.92 5.28 0.00 3.28 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 76 S 8.77 4.27 0.00 3.90 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 77 G 8.27 4.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 S 7.56 4.59 0.00 4.01 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 79 R 8.29 3.97 0.00 1.30 1.90 0.00 3.34 0.00 0.00 3.20 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.47 0.00 80 F 7.76 5.04 0.00 3.04 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 81 S 7.73 4.77 0.00 4.04 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 82 R 8.52 4.13 0.00 1.98 2.12 0.00 3.17 0.00 0.00 3.26 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.66 0.00 83 G 7.89 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 84 E 8.03 4.17 0.00 2.16 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 2.41 2.28 0.00 85 V 8.22 4.00 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 0.77 0.00 0.00 0.83 0.00 0.00 86 L 8.66 4.71 0.00 1.66 1.73 0.91 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 87 Y 7.47 4.74 0.00 2.98 2.77 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 88 R 7.71 5.35 0.00 1.69 1.75 0.00 2.82 0.00 0.00 3.02 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.45 0.00 89 Y 9.16 4.81 0.00 3.45 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 90 S 7.71 4.91 0.00 3.85 3.50 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 91 N 8.30 4.68 0.00 2.80 2.84 0.00 0.00 5.96 7.26 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 92 A 7.93 3.31 0.39 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 93 G 7.72 3.67 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 0.00 0.00 0.00 94 R 8.73 3.81 0.00 1.75 1.96 0.00 3.30 0.00 0.00 3.34 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.21 0.00 95 A 8.16 4.08 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 96 A 7.32 4.00 0.97 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 0.00 0.00 97 G 8.59 3.78 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 0.00 0.00 0.00 98 I 7.56 3.96 1.93 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.82 1.14 0.00 0.00 99 Q 9.68 4.06 0.00 2.09 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.96 0.00 0.00 0.00 0.00 0.00 2.39 2.38 0.00 100 C 8.33 4.50 0.00 2.87 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 0.00 101 N 8.29 4.45 0.00 2.80 2.77 0.00 0.00 7.06 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 0.00 102 D 7.91 4.37 0.00 1.86 2.42 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 0.00 103 F 7.72 4.88 0.00 2.36 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 0.00 0.00 0.00 104 I 7.39 3.63 1.78 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 1.37 1.29 0.76 0.00 0.00 105 A 7.82 4.04 1.06 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 0.00 106 L 7.71 3.92 0.00 1.66 1.62 0.67 0.87 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 0.00 107 Y 7.75 4.97 0.00 3.12 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 0.00 108 L 8.33 4.11 0.00 1.88 1.94 0.92 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 109 N 8.42 4.32 0.00 2.92 3.06 0.00 0.00 6.90 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 0.00 110 H 8.34 4.27 0.00 3.46 3.64 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 0.00 111 L 8.37 3.95 0.00 1.61 1.53 0.82 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 112 F 8.68 4.06 0.00 3.21 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 0.00 113 A 8.13 4.11 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 0.00 114 Q 8.06 4.29 0.00 2.02 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.48 0.00 0.00 0.00 0.00 0.00 2.30 2.36 0.00 115 G 7.81 3.94 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 0.00 0.00 0.00 116 L 7.83 4.49 0.00 1.59 1.62 0.86 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 117 V 7.23 4.92 1.70 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 0.51 0.00 0.00 -0.34 0.00 0.00 118 I 8.55 4.88 1.93 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 1.37 0.77 0.91 0.00 0.00 119 A 8.95 5.33 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 0.00 120 S 9.12 4.80 0.00 3.87 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 0.00 121 D 8.67 4.81 0.00 2.61 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 0.00 122 F 8.73 3.96 0.00 3.05 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 0.00 123 T 8.18 4.32 4.09 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 1.10 0.00 0.00 124 E 8.69 3.84 0.00 2.01 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 2.78 2.40 0.00 125 S 8.02 4.03 0.00 3.76 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 126 L 7.73 4.29 0.00 1.27 0.92 0.73 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 127 R 7.89 4.34 0.00 2.24 2.08 0.00 3.21 0.00 0.00 3.28 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.99 0.00 128 T 7.87 4.09 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 1.22 0.00 0.00 129 D 7.99 4.32 0.00 2.54 2.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 Y 7.75 4.33 0.00 3.30 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 0.00 131 E 8.19 4.08 0.00 2.18 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 2.42 2.60 0.00 132 L 8.21 4.15 0.00 1.88 1.75 0.93 1.20 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 0.00 133 C 8.59 4.21 0.00 3.09 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 0.00 134 E 8.18 3.86 0.00 2.17 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.29 0.00 135 G 7.89 3.85 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 0.00 0.00 0.00 136 D 7.38 4.55 0.00 2.78 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 0.00 137 S 9.01 4.12 0.00 3.88 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 0.00 138 D 8.04 4.32 0.00 2.83 2.89 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 0.00 139 F 7.63 3.83 0.00 2.17 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 0.00 140 R 8.19 3.73 0.00 1.85 1.90 0.00 3.18 0.00 0.00 3.21 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.86 0.00 141 K 8.18 3.80 0.00 1.87 1.74 0.00 1.64 0.00 0.00 1.76 0.00 0.00 2.92 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.39 1.38 7.81 142 A 7.44 3.59 0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 143 Q 7.47 3.50 0.00 1.38 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.76 0.00 0.00 0.00 0.00 0.00 2.19 2.18 0.00 144 A 7.98 3.89 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 0.00 145 E 8.08 3.87 0.00 1.98 1.96 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 2.28 2.41 0.00 146 L 7.95 4.09 0.00 1.68 1.64 0.83 0.92 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 0.00 147 Q 7.83 3.87 0.00 2.09 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.85 0.00 0.00 0.00 0.00 0.00 2.30 2.38 0.00 148 I 6.93 3.70 1.74 0.00 0.00 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 1.19 0.54 0.60 0.00 0.00 149 H 7.92 4.80 0.00 3.11 3.30 0.00 5.64 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 0.00 150 L 7.79 4.71 0.00 1.78 1.50 0.91 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 151 P 0.00 4.25 0.00 2.13 2.14 0.00 3.73 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.96 0.00 152 K 7.79 4.37 0.00 1.65 1.86 0.00 1.58 0.00 0.00 1.78 0.00 0.00 2.70 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.43 1.36 7.81 153 L 7.69 4.17 0.00 1.84 1.51 0.88 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 154 S 8.83 4.74 0.00 2.72 3.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 155 I 8.22 5.21 2.02 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.25 0.97 0.00 0.00 156 R 9.16 4.72 0.00 1.98 1.72 0.00 3.23 0.00 0.00 2.90 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.43 0.00 157 R 8.58 4.79 0.00 1.45 0.71 0.00 2.96 0.00 0.00 2.82 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.51 0.00 158 E 9.46 4.97 0.00 1.93 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 2.23 2.28 0.00 159 T 8.99 5.14 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 1.18 0.00 0.00 160 L 9.03 4.96 0.00 1.92 1.81 0.92 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 161 R 8.54 4.90 0.00 1.75 1.70 0.00 3.16 0.00 0.00 3.05 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.56 0.00 162 I 8.26 4.19 1.79 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.86 0.87 0.00 0.00 163 S 8.39 4.71 0.00 3.91 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 0.00 164 P 0.00 4.26 0.00 2.18 2.14 0.00 3.59 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 2.11 2.17 0.00 165 L 7.93 4.10 0.00 1.86 1.70 0.97 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 166 G 8.19 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 167 R 8.14 4.01 0.00 2.07 2.03 0.00 3.14 0.00 0.00 3.11 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.77 0.00 168 Q 8.20 3.94 0.00 2.22 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.81 0.00 0.00 0.00 0.00 0.00 2.36 2.37 0.00 169 L 7.96 3.92 0.00 1.70 1.71 0.87 1.05 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 0.00 170 W 8.16 4.43 0.00 3.45 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 0.00 171 T 7.96 3.94 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 1.17 0.00 0.00 172 L 7.60 3.99 0.00 1.73 1.66 0.92 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 *174 T 7.95 3.77 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.