NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 Q 4.1379 8.3449 121.7144 55.0266 31.1558 174.2440 2 N 3.8686 7.9901 115.4558 53.1880 35.1837 169.5773 3 I 4.9383 8.2016 121.9841 59.3200 40.8900 173.7301 4 D 5.1764 9.1550 128.0234 52.5804 43.4379 174.9373 5 Q 4.9140 8.4442 121.3304 54.9550 31.2963 171.9196 *7 P 4.3020 0.0000 0.0000 62.8568 33.0104 177.7100 8 T 4.1492 8.4956 118.3976 66.3516 69.4693 174.2180 9 E 5.2569 7.9960 119.5004 54.9226 33.0446 174.1275 10 M 5.0133 9.4266 125.0599 53.9107 36.7682 174.2382 11 T 5.1160 8.4552 116.9759 61.9474 71.8423 173.1873 12 A 4.6841 8.4693 125.2357 51.1261 22.9318 175.7869 13 T 4.9628 8.4284 116.6083 62.1006 70.8924 174.2532 14 E 4.2323 8.3098 121.9076 57.7909 30.1092 177.4982 15 G 3.8587 8.8242 110.7017 45.1322 0.0000 173.3468 16 A 4.3743 7.3941 120.2449 51.3912 20.8928 176.1507 17 I 4.6640 8.2114 118.0417 59.9313 39.5343 175.6906 18 V 4.3249 8.3863 127.3164 59.7132 34.2331 175.0072 19 Q 4.6421 8.3834 123.4982 54.4509 31.1262 174.3963 20 I 4.2353 8.3149 129.1499 60.3555 38.2122 175.7051 21 N 5.3096 8.8785 124.7999 53.3486 40.2360 175.7200 22 C 5.1774 9.7493 121.9941 55.9674 45.4108 172.6201 23 T 5.4691 9.1137 117.3042 60.0068 71.3490 172.7523 24 Y 5.2082 8.2741 121.9048 55.5401 41.5066 174.4808 25 Q 4.6997 8.6853 124.7772 54.7309 27.7713 173.6195 26 T 4.7085 8.0626 115.9502 59.6373 70.2589 173.2842 27 S 4.6880 8.5835 122.0813 57.6975 65.3840 174.3118 28 G 3.8157 8.7805 106.1537 46.1603 0.0000 173.2169 29 F 4.5108 7.6368 118.5959 58.2813 39.7109 174.8876 30 N 4.6446 8.6751 127.2489 52.5703 39.6123 173.0785 31 G 3.8737 5.3800 100.9723 42.7038 0.0000 173.1305 32 L 5.0989 8.6801 123.8279 53.0196 45.4712 175.2026 33 F 5.3879 9.5015 124.6244 55.5787 42.4172 174.3949 34 W 5.3904 9.2194 121.6242 55.3155 32.1556 174.4486 35 Y 5.2886 9.7600 120.7581 56.3562 42.1416 173.9758 36 Q 4.6734 9.1446 123.8129 54.5283 31.4563 174.0148 37 Q 4.7886 8.9516 127.6876 54.3843 31.7046 174.1844 38 H 4.6914 8.8509 123.7034 55.0961 29.9806 175.5830 39 A 3.8868 8.7049 124.1049 54.0579 18.6267 179.0450 40 G 4.0703 8.9275 111.2682 45.3213 0.0000 173.3418 41 E 4.4932 7.5749 116.3075 53.9392 31.7780 175.3728 42 A 4.1723 8.1767 122.0337 51.2904 19.0128 175.4771 43 P 4.9797 0.0000 0.0000 62.8842 32.5115 175.6781 44 T 5.0039 9.2298 112.6275 59.5302 72.1097 173.0274 45 F 3.7869 9.1807 126.0841 58.9273 39.5633 173.2288 46 L 4.4095 7.9949 124.9846 55.3347 42.8736 176.3857 47 S 4.5602 7.1961 111.5238 56.7474 67.1312 171.2310 48 Y 4.6761 8.7093 121.6125 55.8014 41.3500 174.3425 49 N 4.6760 8.4644 123.4711 51.4651 41.6753 175.4659 50 V 4.1381 8.0708 121.2344 61.3736 33.6733 175.7592 51 L 4.6398 7.4167 118.4434 52.5548 43.4692 175.8927 52 D 4.3250 8.2370 120.6361 55.1042 41.6622 176.0151 53 G 3.5747 6.6045 107.3234 43.8001 0.0000 172.1552 54 L 4.8148 8.1174 122.8838 53.0804 43.5999 176.2169 55 E 4.2663 8.9382 128.4189 55.8183 30.9574 174.9010 56 E 4.9044 8.7376 125.7910 54.0278 31.7196 176.6957 57 K 4.5858 8.2993 124.9156 54.7234 33.5179 175.8246 58 G 3.8295 7.4605 118.4828 45.9598 0.0000 175.2987 *61 R 4.4192 8.5460 126.1483 55.1037 32.6823 173.2523 62 F 5.7312 7.8250 118.3157 55.8287 41.7678 174.6473 63 S 5.2496 9.1842 119.8944 56.8200 66.2826 173.0966 64 S 4.7907 9.0625 117.0564 56.4607 65.4622 172.3633 65 F 5.1972 8.5037 128.9956 56.1384 42.0819 173.5525 66 L 4.7476 7.3206 126.2322 53.3922 45.8211 175.3566 67 S 4.6267 8.8721 119.5136 56.4153 63.5333 174.2788 68 R 3.6791 9.6305 125.8938 58.9303 30.2736 179.6579 69 S 4.1326 8.1005 112.1033 60.8449 62.8635 175.2439 70 K 4.3120 7.8640 116.1485 54.8709 33.3808 176.2831 71 G 3.0968 7.4994 106.5745 45.0552 0.0000 172.3465 72 Y 5.2806 7.6240 118.1978 56.2235 43.2663 174.7561 73 S 5.1612 8.4181 118.3420 58.3571 66.7678 172.3719 74 Y 5.4206 7.9929 120.4261 55.9157 41.3998 172.8284 75 L 4.4054 8.3892 124.1639 53.1640 44.1678 174.6218 76 L 4.8283 8.8912 129.1917 53.6337 43.8410 174.7100 77 L 4.9963 8.5313 127.3946 53.1132 43.6028 175.9286 78 K 4.7303 8.7119 122.6616 54.7200 35.2144 175.9081 79 E 3.6580 8.5983 120.3092 56.7602 26.6362 175.5921 80 L 3.9319 7.5587 117.6052 55.7612 42.5328 178.2891 81 Q 4.7781 9.1473 123.0170 54.5184 30.7371 176.8809 82 M 4.1547 8.4343 118.4981 58.2475 32.1163 178.8050 83 K 4.3152 7.9947 115.7262 58.4850 33.0108 177.2484 84 D 4.6827 7.6699 118.9593 55.7266 41.1572 175.9983 85 S 4.5389 8.0019 114.6584 59.3170 63.3073 173.2553 86 A 4.3737 8.3006 125.7780 51.5946 22.7055 173.8093 87 S 5.1305 8.7722 112.6544 57.1053 65.0937 172.9808 88 Y 5.2548 9.3557 124.2044 56.4848 40.4409 174.4793 89 L 5.0371 9.2669 125.3346 53.3717 44.3155 174.8535 90 C 4.5858 8.6794 122.7031 54.4525 44.1922 172.1374 91 A 4.9565 8.8621 127.9001 49.8803 22.2000 174.6723 92 V 4.5945 8.6087 120.4364 61.1171 34.9358 174.2437 93 Q 4.8660 8.8123 126.6950 54.6097 30.2702 174.6645 94 A 4.9614 8.1671 124.1676 50.5218 22.1115 176.0947 95 S 2.8607 8.7908 116.2311 62.0340 62.8080 176.5927 96 G 3.4454 8.1987 103.2380 49.3608 0.0000 175.6185 97 G 3.4723 7.8074 112.1360 45.2039 0.0000 173.4538 98 S 4.0610 8.0172 109.2617 57.4795 65.8031 174.4514 *102 Y 4.7778 8.3274 120.8429 57.8084 39.6289 174.8051 103 I 4.1066 9.7396 120.8175 59.8916 38.0054 173.8170 104 P 4.2189 0.0000 0.0000 63.7733 31.9459 175.6083 105 T 4.6118 8.6469 122.0153 62.0872 70.3849 174.3129 106 F 4.8519 8.9372 124.5038 56.0486 39.9684 175.9390 107 G 4.0501 8.7579 109.5852 45.3234 0.0000 174.8180 108 R 4.1295 8.6365 117.8838 57.3573 30.3273 178.6154 109 G 4.1775 7.9304 100.4227 45.7665 0.0000 172.8674 110 T 5.0192 8.4435 115.1213 60.4328 72.1531 173.2310 111 S 4.8417 9.3388 123.0573 57.6439 63.8776 172.3583 112 L 5.1311 9.1781 130.2499 53.5714 44.1328 174.9943 113 I 4.2984 8.3657 128.4278 60.3118 38.6212 175.4434 114 V 4.3963 8.5047 129.0118 61.6903 31.5207 175.3426 115 H 4.6848 8.9443 126.6134 55.1410 29.7657 173.9201 116 P 4.6918 0.0000 0.0000 62.5155 32.8080 175.2437 117 Y 4.1763 8.8266 122.3668 56.7024 38.2825 175.6598 118 I 3.9394 7.5392 129.7764 59.6832 36.4591 175.8871 119 Q 3.9856 8.5384 126.1962 58.6052 29.0906 177.2235 120 N 4.9011 7.5905 118.0694 49.8898 38.9748 171.6168 121 P 4.4094 0.0000 0.0000 62.9417 32.6898 176.5377 122 D 4.8448 8.9725 121.2168 52.0780 40.1081 173.6462 123 P 4.5496 0.0000 0.0000 63.2104 32.3813 177.3095 124 A 4.6181 8.9168 125.6078 50.1219 23.2285 174.7122 125 V 4.6606 8.0009 119.1240 61.3904 33.8767 174.3293 126 Y 5.0151 8.8014 125.5794 56.2847 41.1407 174.4796 127 Q 4.8230 8.8479 124.0572 54.8650 30.6403 174.4531 128 L 4.8385 9.2714 126.8009 53.1417 44.3713 176.0568 129 R 4.7527 8.6050 122.8157 54.5050 31.8804 175.7766 130 D 4.3909 8.0142 121.4276 55.5743 41.4334 175.5459 131 S 4.5717 8.8673 116.0222 59.2363 64.4025 174.1674 132 K 4.6199 7.4715 116.7520 55.8062 35.1270 175.7834 133 S 3.8161 8.8595 115.4683 59.5563 59.4920 171.4628 134 S 3.6151 8.9409 117.6839 58.5123 61.7087 171.6710 135 D 5.0306 8.5546 116.6101 53.9787 40.5652 176.4651 136 K 4.1795 8.8965 122.9720 57.4446 30.3636 179.1133 137 S 4.8148 8.9683 121.6105 58.4592 66.8877 174.5004 138 V 4.9169 8.9159 118.5530 61.9068 35.0454 173.3977 139 C 5.3659 9.7518 125.3564 55.8914 43.7431 172.4927 140 L 5.3249 9.4355 124.9547 53.3798 44.4079 175.0811 141 F 5.1564 9.0836 130.7222 57.8893 40.2791 174.3362 142 T 4.7720 8.5046 120.3061 61.0489 71.7202 173.5980 143 D 4.1806 8.3720 121.0178 54.6802 38.9355 174.4734 144 F 4.6639 6.9663 114.1725 55.9561 39.0212 174.6595 145 D 4.5610 8.3455 120.5350 52.4910 40.3106 177.5848 146 S 3.9937 8.5081 116.6660 61.7274 62.8579 175.8699 147 Q 4.2277 7.7936 117.4281 57.3707 28.8525 176.6307 148 T 4.0701 8.1385 116.0947 63.4073 68.9923 173.3602 149 N 4.8875 8.5299 122.6468 51.3597 40.6680 174.4062 150 V 4.0573 8.3208 123.3252 61.4840 31.8945 175.7751 151 S 4.2613 8.5150 124.0165 58.6175 63.2754 174.4711 152 Q 4.3372 8.3460 123.3892 55.1195 29.5978 175.5169 153 S 4.3286 8.1829 113.7642 57.6688 64.2477 174.2622 154 K 4.2461 8.2250 122.6632 55.3238 33.8580 176.9220 155 D 4.2160 9.0743 115.5244 53.4796 38.7375 175.3290 156 S 3.6429 7.7891 112.7883 59.4910 61.9137 172.2982 157 D 4.0980 7.8132 119.2068 55.4557 41.5468 177.2403 158 V 3.2075 6.8284 118.9033 62.2272 32.3761 175.1438 159 Y 4.4068 7.9731 125.6209 55.9883 40.1904 174.6590 160 I 5.1354 8.0718 124.5863 59.5969 40.0066 175.6750 161 T 4.5077 8.9426 117.7540 60.8023 70.1298 174.2249 162 D 4.6790 8.6695 121.8018 53.4781 42.0379 175.8660 163 K 4.4360 8.5847 123.2904 57.5853 33.2012 175.5550 164 C 4.9334 8.8399 122.2748 57.7795 35.7730 172.3335 165 V 4.7533 8.4337 123.3341 60.9933 33.1519 174.6160 166 L 4.7973 8.4276 127.9423 54.0098 43.4762 174.8469 167 D 5.0683 8.5096 120.0080 52.9864 43.5661 175.6245 168 M 4.3701 9.2252 127.8381 54.2283 31.1844 177.4659 169 R 3.9766 8.6201 124.3867 59.0556 30.8782 179.8072 170 S 4.1112 8.2044 111.3769 61.6348 63.0377 174.8917 171 M 4.2358 8.0767 117.3087 53.9855 32.3779 175.3547 172 D 4.3797 7.5446 116.8406 55.6655 40.2800 172.9736 173 F 5.1181 8.4248 120.8299 56.4571 43.1262 174.5964 174 K 4.9833 7.5683 123.5838 54.6130 35.8742 175.6714 175 S 4.3179 8.3101 117.0743 56.8484 66.9474 172.8571 176 N 5.0603 7.9956 118.7804 52.5409 40.6918 174.3036 177 S 5.1025 8.2262 113.9273 57.6271 66.8149 173.6197 178 A 5.1628 9.7960 126.2533 50.0907 22.6595 174.8954 179 V 5.2686 8.9777 118.7418 61.1890 34.8937 174.3363 180 A 5.5392 9.5775 129.1283 50.0414 22.1440 174.7449 181 W 5.7201 8.9617 118.4010 55.4689 32.1958 173.6286 182 S 4.4084 8.0947 114.5449 57.2896 64.8485 173.0623 183 N 4.6433 8.4527 118.3509 54.3713 39.2043 176.4195 184 K 3.7664 7.8885 119.1289 57.0355 32.3345 176.9858 185 S 4.3244 8.7131 119.4561 59.9190 63.4966 173.8206 186 D 4.8634 7.3767 121.4729 54.5570 41.1089 176.0663 187 F 4.8117 8.3268 121.1387 56.4240 40.8240 173.9159 188 A 4.6006 7.9403 130.0591 50.6139 21.9698 175.5974 189 C 4.4843 8.1711 113.5337 57.9269 41.9547 176.6130 190 A 3.8248 8.0182 121.6733 54.3157 18.0113 177.5174 191 N 4.9536 7.7799 110.4451 52.4278 38.0120 175.3803 192 A 3.9807 7.9705 124.4037 55.0101 19.0449 179.4412 193 F 4.5172 7.8323 114.9541 56.8743 38.2923 175.5210 194 N 4.5636 7.6004 121.3035 53.4100 38.9753 175.1969 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 Q 8.34 4.14 0.00 2.01 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.36 0.00 0.00 0.00 0.00 0.00 2.22 2.46 0.00 2 N 7.99 3.87 0.00 3.13 2.84 0.00 0.00 6.89 6.21 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 3 I 8.20 4.94 1.90 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 1.26 0.64 0.96 0.00 0.00 4 D 9.15 5.18 0.00 2.80 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 5 Q 8.44 4.91 0.00 2.31 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.71 6.32 0.00 0.00 0.00 0.00 0.00 2.30 2.47 0.00 *7 P 0.00 4.30 0.00 2.30 2.10 0.00 3.84 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.19 0.00 8 T 8.50 4.15 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 1.25 0.00 0.00 9 E 8.00 5.26 0.00 1.96 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 2.22 2.49 0.00 10 M 9.43 5.01 0.00 1.92 1.88 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.52 0.00 11 T 8.46 5.12 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 1.00 0.00 0.00 12 A 8.47 4.68 1.18 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 13 T 8.43 4.96 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 1.42 0.00 0.00 14 E 8.31 4.23 0.00 2.21 1.99 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 2.38 2.29 0.00 15 G 8.82 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 16 A 7.39 4.37 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 17 I 8.21 4.66 1.84 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.58 0.86 0.00 0.00 18 V 8.39 4.32 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 0.58 0.00 0.00 0.85 0.00 0.00 19 Q 8.38 4.64 0.00 1.80 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.67 6.94 0.00 0.00 0.00 0.00 0.00 1.92 1.91 0.00 20 I 8.31 4.24 1.55 0.00 0.00 0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.27 1.14 0.00 0.00 21 N 8.88 5.31 0.00 2.79 3.05 0.00 0.00 6.87 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 22 C 9.75 5.18 0.00 3.05 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 23 T 9.11 5.47 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 1.46 0.00 0.00 24 Y 8.27 5.21 0.00 3.07 3.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 Q 8.69 4.70 0.00 2.14 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.57 6.64 0.00 0.00 0.00 0.00 0.00 2.31 2.28 0.00 26 T 8.06 4.71 4.43 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 1.59 0.00 0.00 27 S 8.58 4.69 0.00 4.08 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 28 G 8.78 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 0.00 0.00 0.00 29 F 7.64 4.51 0.00 3.08 3.07 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 30 N 8.68 4.64 0.00 2.78 2.84 0.00 0.00 7.30 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 31 G 5.38 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 0.00 0.00 0.00 0.00 32 L 8.68 5.10 0.00 1.76 1.43 0.68 0.73 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 33 F 9.50 5.39 0.00 3.03 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 34 W 9.22 5.39 0.00 3.21 3.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 Y 9.76 5.29 0.00 3.06 2.99 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 36 Q 9.14 4.67 0.00 2.20 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.74 0.00 0.00 0.00 0.00 0.00 2.05 1.76 0.00 37 Q 8.95 4.79 0.00 2.07 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.75 0.00 0.00 0.00 0.00 0.00 2.22 2.43 0.00 38 H 8.85 4.69 0.00 3.22 3.20 0.00 5.78 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 A 8.70 3.89 1.29 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 40 G 8.93 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 41 E 7.57 4.49 0.00 2.12 1.99 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 2.47 2.27 0.00 42 A 8.18 4.17 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 43 P 0.00 4.98 0.00 2.14 2.05 0.00 3.65 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.74 0.00 44 T 9.23 5.00 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 1.32 0.00 0.00 45 F 9.18 3.79 0.00 2.98 3.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 L 7.99 4.41 0.00 1.63 1.54 1.15 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 47 S 7.20 4.56 0.00 3.80 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 Y 8.71 4.68 0.00 2.36 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 49 N 8.46 4.68 0.00 2.43 2.46 0.00 0.00 6.22 7.31 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 50 V 8.07 4.14 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0.00 0.00 1.55 1.72 0.00 69 S 8.10 4.13 0.00 3.84 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 70 K 7.86 4.31 0.00 1.71 1.72 0.00 1.85 0.00 0.00 1.66 0.00 0.00 2.98 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.29 1.39 7.81 71 G 7.50 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 0.00 0.00 0.00 72 Y 7.62 5.28 0.00 2.98 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 73 S 8.42 5.16 0.00 4.01 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 74 Y 7.99 5.42 0.00 3.09 2.87 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 0.00 75 L 8.39 4.41 0.00 0.27 0.13 0.43 -0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.57 0.00 0.00 0.00 0.00 0.00 0.00 76 L 8.89 4.83 0.00 1.88 1.62 0.91 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 77 L 8.53 5.00 0.00 1.43 1.51 0.26 -0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 78 K 8.71 4.73 0.00 1.80 1.69 0.00 1.88 0.00 0.00 1.96 0.00 0.00 2.97 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.36 1.39 7.81 79 E 8.60 3.66 0.00 2.11 1.99 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 2.20 2.31 0.00 80 L 7.56 3.93 0.00 1.89 1.67 0.94 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 81 Q 9.15 4.78 0.00 2.40 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.18 6.81 0.00 0.00 0.00 0.00 0.00 2.33 2.38 0.00 82 M 8.43 4.15 0.00 2.07 2.13 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.69 2.49 0.00 83 K 7.99 4.32 0.00 1.93 1.97 0.00 1.62 0.00 0.00 1.73 0.00 0.00 2.98 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.45 1.54 7.81 84 D 7.67 4.68 0.00 3.01 2.99 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 85 S 8.00 4.54 0.00 4.02 3.94 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.98 0.00 122 D 8.97 4.84 0.00 2.61 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 0.00 123 P 0.00 4.55 0.00 2.05 2.14 0.00 3.71 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.16 0.00 124 A 8.92 4.62 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 0.00 125 V 8.00 4.66 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 0.99 0.00 0.00 0.87 0.00 0.00 126 Y 8.80 5.02 0.00 3.03 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 0.00 127 Q 8.85 4.82 0.00 2.13 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.67 6.70 0.00 0.00 0.00 0.00 0.00 2.34 2.46 0.00 128 L 9.27 4.84 0.00 1.86 1.59 1.11 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 129 R 8.60 4.75 0.00 1.72 1.88 0.00 3.27 0.00 0.00 3.19 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.65 0.00 130 D 8.01 4.39 0.00 2.88 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 0.00 131 S 8.87 4.57 0.00 3.82 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 132 K 7.47 4.62 0.00 1.72 1.64 0.00 1.86 0.00 0.00 1.69 0.00 0.00 2.96 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.32 1.41 7.81 133 S 8.86 3.82 0.00 4.02 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 134 S 8.94 3.62 0.00 4.02 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 0.00 135 D 8.55 5.03 0.00 2.83 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 0.00 136 K 8.90 4.18 0.00 1.90 1.52 0.00 1.75 0.00 0.00 1.95 0.00 0.00 3.04 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.59 1.45 7.81 137 S 8.97 4.81 0.00 4.14 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 0.00 138 V 8.92 4.92 2.17 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 1.03 0.00 0.00 0.95 0.00 0.00 139 C 9.75 5.37 0.00 3.24 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 0.00 140 L 9.44 5.32 0.00 1.87 1.75 1.11 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 141 F 9.08 5.16 0.00 1.68 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 142 T 8.50 4.77 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 1.42 0.00 0.00 143 D 8.37 4.18 0.00 3.15 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 0.00 144 F 6.97 4.66 0.00 2.97 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 0.00 145 D 8.35 4.56 0.00 2.76 2.76 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 0.00 146 S 8.51 3.99 0.00 3.80 3.76 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 0.00 147 Q 7.79 4.23 0.00 2.20 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.84 0.00 0.00 0.00 0.00 0.00 2.39 2.49 0.00 148 T 8.14 4.07 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 1.09 0.00 0.00 149 N 8.53 4.89 0.00 2.69 2.75 0.00 0.00 6.92 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 0.00 150 V 8.32 4.06 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 1.02 0.00 0.00 151 S 8.51 4.26 0.00 3.89 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 0.00 152 Q 8.35 4.34 0.00 2.04 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.90 0.00 0.00 0.00 0.00 0.00 2.39 2.30 0.00 153 S 8.18 4.33 0.00 3.86 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 0.00 154 K 8.22 4.25 0.00 1.76 1.71 0.00 1.77 0.00 0.00 1.83 0.00 0.00 2.89 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.42 1.36 7.81 155 D 9.07 4.22 0.00 2.95 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 0.00 156 S 7.79 3.64 0.00 3.96 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 0.00 157 D 7.81 4.10 0.00 2.56 2.41 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 0.00 158 V 6.83 3.21 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 0.45 0.00 0.00 0.69 0.00 0.00 159 Y 7.97 4.41 0.00 1.43 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 0.00 0.00 0.00 160 I 8.07 5.14 1.81 0.00 0.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.36 0.90 0.00 0.00 161 T 8.94 4.51 4.43 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 1.61 0.00 0.00 162 D 8.67 4.68 0.00 2.75 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 0.00 163 K 8.58 4.44 0.00 2.05 2.12 0.00 1.77 0.00 0.00 1.81 0.00 0.00 2.97 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.55 1.58 7.81 164 C 8.84 4.93 0.00 2.98 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 0.00 165 V 8.43 4.75 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 0.81 0.00 0.00 0.93 0.00 0.00 166 L 8.43 4.80 0.00 1.82 1.74 0.98 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 167 D 8.51 5.07 0.00 2.62 2.57 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 0.00 168 M 9.23 4.37 0.00 2.08 2.26 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.80 2.61 0.00 169 R 8.62 3.98 0.00 1.89 1.99 0.00 3.14 0.00 0.00 3.40 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.73 0.00 170 S 8.20 4.11 0.00 3.98 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 0.00 171 M 8.08 4.24 0.00 2.02 2.16 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.49 0.00 172 D 7.54 4.38 0.00 2.80 2.71 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 0.00 173 F 8.42 5.12 0.00 3.12 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 0.00 174 K 7.57 4.98 0.00 1.39 1.42 0.00 1.72 0.00 0.00 1.72 0.00 0.00 2.87 0.00 0.00 3.28 0.00 0.00 0.00 0.00 1.23 1.42 7.81 175 S 8.31 4.32 0.00 3.70 3.49 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 0.00 176 N 8.00 5.06 0.00 1.44 1.63 0.00 0.00 6.53 7.27 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 0.00 177 S 8.23 5.10 0.00 3.88 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 0.00 178 A 9.80 5.16 1.62 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 0.00 179 V 8.98 5.27 2.36 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 1.30 0.00 0.00 1.10 0.00 0.00 180 A 9.58 5.54 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 181 W 8.96 5.72 0.00 3.63 3.35 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 0.00 182 S 8.09 4.41 0.00 2.72 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 0.00 183 N 8.45 4.64 0.00 2.73 2.88 0.00 0.00 6.79 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 0.00 184 K 7.89 3.77 0.00 1.69 1.62 0.00 1.71 0.00 0.00 1.83 0.00 0.00 3.17 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.66 1.51 7.81 185 S 8.71 4.32 0.00 4.06 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 0.00 186 D 7.38 4.86 0.00 2.66 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 0.00 187 F 8.33 4.81 0.00 2.98 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 0.00 188 A 7.94 4.60 1.15 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 0.00 0.00 0.00 0.00 0.00 189 C 8.17 4.48 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 0.00 190 A 8.02 3.82 1.24 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 0.00 191 N 7.78 4.95 0.00 2.74 2.79 0.00 0.00 6.00 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 0.00 192 A 7.97 3.98 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 0.00 193 F 7.83 4.52 0.00 2.67 2.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 194 N 7.60 4.56 0.00 2.62 2.62 0.00 0.00 7.07 7.56 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 * Residues marked with a * may have inaccurate shift predictions.