NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 S 4.6587 8.1927 115.5680 57.6383 66.1399 172.9709 4 V 4.6781 7.8978 119.3265 59.8851 34.1267 172.8764 5 N 5.0393 10.2239 128.4425 52.1627 41.5092 172.6729 6 T 5.0872 8.5711 122.3399 61.8891 71.5290 173.7333 7 S 4.7518 8.7680 120.8970 56.8174 67.4819 173.1654 8 F 4.7143 9.0177 122.8624 56.4121 38.7929 175.9296 9 L 4.2416 8.9817 125.8064 56.7933 41.9967 176.8186 10 S 4.6535 7.6543 111.3090 56.7705 65.5732 173.7944 11 P 4.4214 0.0000 0.0000 65.2573 31.1813 178.2296 12 S 4.7566 8.1647 110.0428 57.6667 63.5475 172.7522 13 L 5.0661 7.9555 123.9413 53.6582 44.8034 175.1344 14 V 4.6674 8.8986 127.0174 61.0878 34.8318 174.1097 15 T 4.5587 8.5207 118.0579 60.3101 71.1123 173.7342 16 I 4.5660 7.9528 125.4477 59.5274 40.6639 174.3175 17 R 4.3534 8.6562 129.3666 54.5041 31.9761 174.5032 18 D 4.9698 8.7053 128.2131 52.8155 41.7271 177.0370 19 F 4.2543 9.3691 127.1329 60.7093 39.3754 178.0281 20 D 4.4172 8.5293 118.9542 57.1965 40.6120 177.0331 21 N 4.6544 8.5596 112.9866 52.1166 39.4193 174.8048 22 G 4.0001 7.6742 106.3908 47.2110 0.0000 173.2155 23 Q 5.0532 8.0749 116.0437 53.8535 33.5882 175.9343 24 F 5.1306 8.4901 122.7320 56.5826 42.4004 173.7985 25 A 5.0664 8.4432 126.5761 50.2499 23.1315 174.6036 26 V 4.3930 8.6609 120.7529 61.2792 33.6826 174.3400 27 L 4.9026 9.0870 131.0598 53.7307 43.7480 174.9714 28 R 4.9701 8.8176 126.2663 54.7851 33.6877 174.6252 29 I 4.1720 8.5832 128.3857 60.2650 35.7928 176.7536 30 G 3.4817 9.0337 114.6521 48.5324 0.0000 172.9328 31 R 3.9627 7.2971 118.7652 58.9317 30.1126 177.7410 32 T 3.6654 7.5919 105.6504 61.5254 69.2786 175.6371 33 G 3.9450 7.8791 108.1138 45.9004 0.0000 173.7676 34 F 4.7704 7.6978 117.7802 56.5151 39.4659 173.5484 35 P 4.7815 0.0000 0.0000 62.4382 31.8899 176.3009 36 A 4.6033 9.0347 126.3498 52.3106 19.3828 176.4789 37 D 5.0658 8.8778 121.0546 51.1882 42.7341 177.2287 38 K 4.1616 8.8162 116.8610 59.5057 31.7830 179.6522 39 G 3.6614 8.1558 105.6262 48.0508 0.0000 175.2633 40 D 4.6217 8.7332 123.1374 56.6079 40.7258 179.0950 41 I 3.7168 7.8064 120.1548 64.3015 37.1195 178.0729 42 D 4.3564 8.3840 120.0860 57.2205 40.6755 178.6247 43 L 3.7121 8.1646 121.0235 58.2381 41.9044 178.4572 44 C 4.0067 7.9018 117.1542 62.5951 31.5460 175.0987 45 L 4.0922 7.9406 119.4843 58.1300 41.5216 179.1090 46 D 4.5697 8.2013 118.5973 56.6967 40.7402 177.9756 47 K 4.3808 8.0651 119.3664 56.5694 32.6457 179.0767 *49 K 4.1676 8.1668 122.0442 56.4510 34.2159 177.7133 50 G 3.6015 8.1463 105.4581 47.7517 0.0000 175.8384 51 V 3.5238 7.9611 121.2075 65.6995 31.6193 178.4051 52 R 3.9779 7.9157 115.2370 59.0951 29.2137 178.4498 53 D 4.2853 8.2790 119.7259 57.1229 40.8407 178.2479 54 A 3.9552 8.0986 121.4324 55.2421 18.2543 179.1390 55 Q 3.8542 8.1035 117.8560 59.7243 28.9299 178.5961 56 Q 3.8926 7.9481 118.9782 59.1610 29.0063 178.0994 57 S 4.2773 7.5270 113.5826 61.0374 62.4891 175.7565 58 I 4.0160 7.6553 122.2415 61.0912 37.3205 176.1265 59 G 4.4225 7.2112 112.4918 44.1851 0.0000 171.6687 60 D 4.0814 8.1672 123.1644 54.3872 41.2618 175.6797 61 D 3.3700 8.0598 125.1457 53.3909 40.0315 177.3076 62 T 4.1115 9.0493 119.2157 66.0306 69.1605 175.6611 63 E 4.0946 7.9711 119.5545 55.8443 30.1279 176.0348 64 F 4.4053 8.7104 125.0097 59.7241 40.0289 174.8293 65 G 3.5523 8.2788 115.5080 45.0673 0.0000 173.1654 66 F 4.0333 7.3791 120.1627 58.2308 39.1803 175.3610 67 K 3.8209 8.1981 126.6146 57.0294 33.1793 177.0063 68 G 3.0677 5.5852 106.0384 43.4312 0.0000 170.5296 69 P 4.5899 0.0000 0.0000 62.2083 33.4546 174.7412 70 H 4.9905 9.0810 117.2970 54.5198 30.7357 174.6655 71 I 4.8738 8.5072 123.5628 59.8329 38.9387 175.0385 72 R 4.7049 8.7149 126.7587 53.9568 33.0823 175.5526 73 I 4.0789 8.5247 124.1185 61.4978 38.5640 174.8264 74 R 4.5157 9.1677 126.5033 57.5554 32.9577 175.4640 75 C 4.8907 7.4886 117.1191 57.8950 35.4581 172.6124 76 V 4.5654 8.7316 125.7680 61.3342 33.5489 173.7751 77 D 5.3409 8.7466 128.9292 52.9254 43.2877 174.7361 78 I 4.5741 8.7969 128.3780 60.0921 39.2721 174.5129 79 D 4.9284 9.2328 127.7993 52.3727 42.5169 175.6770 80 D 5.8500 8.2734 125.2365 52.2257 39.6611 177.7411 81 K 3.9665 8.1159 121.3821 59.4980 32.5024 177.3082 82 H 4.8948 7.9512 115.3040 56.8949 31.2729 174.9824 83 T 4.4020 7.4625 117.0701 62.7024 70.3397 172.6521 84 Y 4.9466 8.5963 125.4699 57.1900 41.2614 174.8544 85 N 5.2308 9.2680 123.3933 51.5028 42.9995 174.0306 86 A 4.9154 8.2130 121.5827 49.7960 23.1365 174.5066 *88 V 4.0991 8.3078 113.8952 63.4361 33.2450 175.3981 89 Y 5.0014 9.1404 126.9663 57.1272 39.0687 175.3946 90 V 4.9229 8.6618 117.1895 59.6107 35.7146 174.6463 91 D 5.0677 8.9155 122.2451 52.5973 43.5638 175.2671 92 L 4.9289 8.9871 125.7446 53.6737 44.0234 174.9609 93 I 4.7816 8.9815 128.5499 59.8833 39.1363 175.3059 94 V 4.5659 8.6375 121.2577 58.9589 34.1167 175.9727 95 G 4.3062 8.3473 110.5137 46.5111 0.0000 174.6668 96 T 4.0624 8.5754 119.4218 65.4377 69.0381 175.7571 97 G 3.8031 7.0091 108.9156 43.5668 0.0000 173.0826 98 A 4.6577 7.2815 120.6879 49.5524 22.7131 177.4168 99 S 4.3239 9.0630 119.0652 58.2251 65.2028 175.2718 100 E 3.9309 8.6171 122.7456 59.3322 29.4940 179.2065 101 V 3.6100 7.6982 118.1052 65.9374 31.6039 177.7469 102 E 4.0010 7.8944 118.5600 59.2288 29.2298 179.4058 103 R 3.8681 8.0826 118.1615 59.4699 30.2266 178.9370 104 E 4.0780 8.1181 117.9023 59.8399 29.3298 179.7564 105 T 3.8903 7.8899 115.1723 66.3475 68.3567 176.6250 106 A 4.0446 8.1418 122.9790 54.7386 18.4055 179.3752 107 E 3.8996 8.5653 117.5902 59.8170 29.6244 179.3887 108 E 3.8976 8.2711 118.3772 59.5074 29.4022 179.3508 109 L 3.9832 7.8362 119.8216 57.8098 42.0347 178.9448 110 A 3.9065 8.1796 121.0436 55.1817 18.4582 179.4601 111 K 3.9479 8.8299 117.7121 60.0075 32.0274 179.1381 112 E 4.0213 8.2925 119.2741 59.1760 29.5001 179.0251 113 K 4.1180 7.9131 118.6475 59.1640 32.1418 179.4191 114 L 3.7812 8.0011 119.5404 57.6150 41.4016 179.5836 115 R 4.1039 8.1486 117.8469 59.2794 29.9147 179.0564 116 A 3.9599 7.6948 118.7299 55.2608 18.2572 179.6700 117 A 3.9202 7.9469 119.1220 55.0482 18.5468 178.4484 118 L 4.2295 8.4268 113.2498 54.4048 42.4090 176.5262 119 Q 3.3923 7.6827 118.2214 56.8780 26.5640 174.0493 120 V 3.9568 7.8823 116.4010 64.2180 32.5586 175.3717 121 D 4.5590 9.1012 125.0364 54.7880 39.1149 173.6721 122 I 4.5359 7.1998 118.0485 59.0322 40.6620 174.7565 123 A 4.5928 8.4496 125.9774 51.6070 18.4398 177.5646 124 D 4.7758 8.8872 125.1259 53.0917 41.6174 176.7962 125 E 3.8878 8.7909 117.1839 59.8513 28.3739 177.4563 126 H 4.7787 9.0782 115.3348 55.0495 28.7848 175.4252 127 S 3.7534 8.1233 114.1304 59.7733 60.9509 171.1451 128 C 5.0404 7.8488 117.3715 57.8324 33.8335 172.2339 129 V 5.0667 8.4580 125.6307 60.9616 33.1449 174.4067 130 T 5.1066 8.4686 123.8232 62.0009 71.4930 173.1453 131 Q 5.0348 8.9183 123.5579 54.1464 33.0764 174.2021 132 F 5.0972 7.9851 113.9983 55.4678 41.6222 172.9398 133 E 4.5974 8.6437 120.0572 54.1842 33.8353 173.7561 *135 K 4.3731 8.3395 119.9385 56.2067 33.6529 174.1772 136 L 4.9481 8.5003 128.9487 54.2190 43.1734 175.6788 137 R 4.9034 8.9976 124.6501 54.1918 34.4680 173.9677 138 E 5.2411 8.7141 119.0350 54.7940 32.1681 174.8904 139 E 4.6219 9.0480 121.4563 54.6064 35.0033 174.9286 140 L 4.4548 8.3337 124.0136 53.7598 40.9876 177.2514 141 L 3.4211 8.0697 126.7421 56.7358 41.7281 178.7352 142 S 4.4747 7.7289 111.2342 58.8922 63.9965 174.5977 143 S 4.2840 7.9627 116.8225 58.5573 62.5307 174.6814 144 D 4.5198 8.7314 125.4405 56.4874 40.8399 177.2451 145 S 4.6024 8.1623 112.5600 57.7883 63.4318 173.3356 146 F 4.9122 7.8119 124.0416 56.9766 40.7611 174.4093 147 H 4.2944 7.6479 125.8051 53.3845 32.7251 172.1814 148 P 4.2968 0.0000 0.0000 64.8573 31.2843 176.6123 149 D 5.2796 7.9388 116.8388 53.6875 42.1712 175.3056 150 K 3.6855 7.8119 120.0582 56.1757 32.8927 176.8610 151 D 4.3148 8.6783 124.6961 56.5807 39.7235 178.2685 152 E 3.9940 8.1800 119.0447 59.5875 29.1372 178.5003 153 Y 4.6200 7.4138 114.0727 59.9021 38.0877 176.8179 154 Y 4.8095 8.3587 117.4503 57.3429 38.4523 177.1414 155 K 3.8538 8.0749 121.1130 59.8759 32.3537 178.4744 156 D 3.9538 7.7871 115.7980 55.6928 40.9079 176.6904 157 F 4.7520 8.0247 116.2802 57.0110 40.2863 175.6707 158 L 4.4094 7.4914 125.6446 54.7778 41.6896 176.0995 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 3 S 8.19 4.66 0.00 4.03 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 0.00 4 V 7.90 4.68 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 0.72 0.00 0.00 0.93 0.00 0.00 5 N 10.22 5.04 0.00 2.95 2.59 0.00 0.00 6.60 7.18 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 6 T 8.57 5.09 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 1.12 0.00 0.00 7 S 8.77 4.75 0.00 3.70 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 8 F 9.02 4.71 0.00 2.91 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 9 L 8.98 4.24 0.00 1.73 1.76 0.96 0.89 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 10 S 7.65 4.65 0.00 4.01 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 11 P 0.00 4.42 0.00 2.30 2.23 0.00 3.64 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.13 0.00 12 S 8.16 4.76 0.00 4.14 4.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 L 7.96 5.07 0.00 1.71 1.55 0.96 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 14 V 8.90 4.67 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 0.55 0.00 0.00 -0.14 0.00 0.00 15 T 8.52 4.56 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 1.26 0.00 0.00 16 I 7.95 4.57 1.59 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 0.92 0.57 0.74 0.00 0.00 17 R 8.66 4.35 0.00 1.66 1.62 0.00 2.45 0.00 0.00 2.99 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.50 0.00 18 D 8.71 4.97 0.00 2.66 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 19 F 9.37 4.25 0.00 3.24 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 20 D 8.53 4.42 0.00 2.84 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 21 N 8.56 4.65 0.00 2.84 2.85 0.00 0.00 7.04 6.93 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 22 G 7.67 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 0.00 0.00 0.00 23 Q 8.07 5.05 0.00 1.99 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.72 0.00 0.00 0.00 0.00 0.00 2.30 2.48 0.00 24 F 8.49 5.13 0.00 2.91 2.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 A 8.44 5.07 1.11 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 0.00 0.00 26 V 8.66 4.39 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 1.21 0.00 0.00 27 L 9.09 4.90 0.00 1.66 1.36 0.96 0.71 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 28 R 8.82 4.97 0.00 1.93 1.75 0.00 3.34 0.00 0.00 3.21 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.60 0.00 29 I 8.58 4.17 2.03 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.54 0.99 0.00 0.00 30 G 9.03 3.48 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 31 R 7.30 3.96 0.00 1.79 1.86 0.00 3.35 0.00 0.00 3.43 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.54 0.00 32 T 7.59 3.67 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 0.71 0.00 0.00 33 G 7.88 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 0.00 0.00 0.00 34 F 7.70 4.77 0.00 3.16 2.92 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 35 P 0.00 4.78 0.00 2.00 2.04 0.00 3.76 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.14 0.00 36 A 9.03 4.60 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 D 8.88 5.07 0.00 2.84 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 38 K 8.82 4.16 0.00 1.85 1.93 0.00 1.69 0.00 0.00 1.84 0.00 0.00 3.00 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.57 1.55 7.81 39 G 8.16 3.66 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 0.00 0.00 0.00 40 D 8.73 4.62 0.00 2.91 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 I 7.81 3.72 2.02 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.72 0.89 0.00 0.00 42 D 8.38 4.36 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 43 L 8.16 3.71 0.00 1.80 1.84 0.87 0.49 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 44 C 7.90 4.01 0.00 3.04 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 45 L 7.94 4.09 0.00 1.81 1.72 0.91 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 46 D 8.20 4.57 0.00 2.85 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 47 K 8.07 4.38 0.00 1.86 1.78 0.00 1.69 0.00 0.00 1.56 0.00 0.00 2.88 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.63 1.54 7.81 *49 K 8.17 4.17 0.00 1.88 2.02 0.00 1.73 0.00 0.00 1.83 0.00 0.00 2.89 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.57 1.44 7.81 50 G 8.15 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 V 7.96 3.52 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 1.02 0.00 0.00 0.92 0.00 0.00 52 R 7.92 3.98 0.00 2.07 2.17 0.00 3.02 0.00 0.00 3.56 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.71 0.00 53 D 8.28 4.29 0.00 2.92 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 54 A 8.10 3.96 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 55 Q 8.10 3.85 0.00 2.19 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.69 0.00 0.00 0.00 0.00 0.00 2.48 2.38 0.00 56 Q 7.95 3.89 0.00 2.06 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.79 0.00 0.00 0.00 0.00 0.00 2.36 2.34 0.00 57 S 7.53 4.28 0.00 4.00 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 58 I 7.66 4.02 2.04 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 1.47 0.54 1.02 0.00 0.00 59 G 7.21 4.42 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 0.00 0.00 0.00 60 D 8.17 4.08 0.00 2.55 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 61 D 8.06 3.37 0.00 2.73 2.38 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 62 T 9.05 4.11 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 1.21 0.00 0.00 63 E 7.97 4.09 0.00 2.20 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 0.00 2.43 2.40 0.00 64 F 8.71 4.41 0.00 3.02 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 65 G 8.28 3.55 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 0.00 0.00 0.00 66 F 7.38 4.03 0.00 3.06 3.02 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 67 K 8.20 3.82 0.00 1.70 1.74 0.00 1.49 0.00 0.00 1.62 0.00 0.00 2.99 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.17 1.14 7.81 68 G 5.59 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 0.00 0.00 0.00 69 P 0.00 4.59 0.00 2.03 2.02 0.00 3.47 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 2.04 0.00 70 H 9.08 4.99 0.00 3.20 3.37 0.00 5.57 0.00 0.00 0.00 0.00 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 I 8.51 4.87 1.86 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 1.33 0.60 0.83 0.00 0.00 72 R 8.71 4.70 0.00 1.68 1.97 0.00 3.36 0.00 0.00 3.20 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.93 0.00 73 I 8.52 4.08 1.86 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 1.33 0.72 0.99 0.00 0.00 74 R 9.17 4.52 0.00 1.40 1.37 0.00 2.35 0.00 0.00 2.40 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.58 0.00 75 C 7.49 4.89 0.00 1.80 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 76 V 8.73 4.57 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 0.83 0.00 0.00 0.89 0.00 0.00 77 D 8.75 5.34 0.00 3.01 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 78 I 8.80 4.57 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 0.94 0.68 0.91 0.00 0.00 79 D 9.23 4.93 0.00 2.63 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 80 D 8.27 5.85 0.00 3.00 2.96 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 81 K 8.12 3.97 0.00 1.59 1.68 0.00 1.67 0.00 0.00 1.60 0.00 0.00 2.94 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.08 1.27 7.81 82 H 7.95 4.89 0.00 3.21 3.34 0.00 5.71 0.00 0.00 0.00 0.00 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 T 7.46 4.40 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 1.29 0.00 0.00 84 Y 8.60 4.95 0.00 2.96 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 85 N 9.27 5.23 0.00 2.66 2.59 0.00 0.00 6.42 8.38 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 86 A 8.21 4.92 1.05 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 0.00 0.00 *88 V 8.31 4.10 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 0.94 0.00 0.00 0.91 0.00 0.00 89 Y 9.14 5.00 0.00 2.58 2.92 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 90 V 8.66 4.92 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 0.61 0.00 0.00 0.89 0.00 0.00 91 D 8.92 5.07 0.00 2.51 2.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 L 8.99 4.93 0.00 1.70 1.52 0.98 0.87 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 93 I 8.98 4.78 2.00 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 1.10 0.62 0.92 0.00 0.00 94 V 8.64 4.57 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 0.68 0.00 0.00 0.91 0.00 0.00 95 G 8.35 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 0.00 0.00 0.00 0.00 96 T 8.58 4.06 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 1.25 0.00 0.00 97 G 7.01 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 0.00 0.00 0.00 98 A 7.28 4.66 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 S 9.06 4.32 0.00 4.03 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 0.00 100 E 8.62 3.93 0.00 2.04 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 2.36 2.35 0.00 101 V 7.70 3.61 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.92 0.00 0.00 102 E 7.89 4.00 0.00 2.16 1.93 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 2.29 2.32 0.00 103 R 8.08 3.87 0.00 1.95 1.95 0.00 3.10 0.00 0.00 3.14 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.80 0.00 104 E 8.12 4.08 0.00 2.04 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 2.33 2.35 0.00 105 T 7.89 3.89 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 1.20 0.00 0.00 106 A 8.14 4.04 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 0.00 107 E 8.57 3.90 0.00 2.15 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.54 0.00 108 E 8.27 3.90 0.00 1.98 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 0.00 2.61 2.47 0.00 109 L 7.84 3.98 0.00 1.80 1.81 0.92 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 110 A 8.18 3.91 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 0.00 111 K 8.83 3.95 0.00 1.99 2.07 0.00 1.73 0.00 0.00 1.64 0.00 0.00 2.97 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.78 1.72 7.81 112 E 8.29 4.02 0.00 2.13 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 2.32 2.36 0.00 113 K 7.91 4.12 0.00 1.81 1.80 0.00 1.73 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.72 1.61 7.81 114 L 8.00 3.78 0.00 1.14 0.66 0.24 0.48 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 0.00 115 R 8.15 4.10 0.00 1.95 2.06 0.00 3.20 0.00 0.00 3.22 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 2.17 0.00 116 A 7.69 3.96 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 A 7.95 3.92 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 0.00 118 L 8.43 4.23 0.00 1.75 1.74 0.78 0.92 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 0.00 119 Q 7.68 3.39 0.00 2.21 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.93 6.99 0.00 0.00 0.00 0.00 0.00 2.30 2.28 0.00 120 V 7.88 3.96 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 0.73 0.00 0.00 1.18 0.00 0.00 121 D 9.10 4.56 0.00 2.85 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 0.00 122 I 7.20 4.54 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 1.24 1.67 0.92 0.00 0.00 123 A 8.45 4.59 1.28 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 0.00 124 D 8.89 4.78 0.00 2.91 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 0.00 125 E 8.79 3.89 0.00 1.84 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 2.29 2.38 0.00 126 H 9.08 4.78 0.00 3.48 3.52 0.00 5.96 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 127 S 8.12 3.75 0.00 4.10 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 0.00 128 C 7.85 5.04 0.00 2.96 3.15 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 0.00 129 V 8.46 5.07 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 1.26 0.00 0.00 0.95 0.00 0.00 130 T 8.47 5.11 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 1.25 0.00 0.00 131 Q 8.92 5.03 0.00 1.76 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.49 6.71 0.00 0.00 0.00 0.00 0.00 2.32 2.21 0.00 132 F 7.99 5.10 0.00 2.99 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 0.00 133 E 8.64 4.60 0.00 1.83 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 2.31 2.24 0.00 *135 K 8.34 4.37 0.00 1.98 1.93 0.00 1.75 0.00 0.00 1.74 0.00 0.00 2.84 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.40 1.47 7.81 136 L 8.50 4.95 0.00 1.67 1.54 0.93 0.92 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 0.00 137 R 9.00 4.90 0.00 1.62 1.66 0.00 2.60 0.00 0.00 2.68 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.42 0.00 138 E 8.71 5.24 0.00 1.87 1.85 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 2.14 2.27 0.00 139 E 9.05 4.62 0.00 1.28 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 2.23 2.67 0.00 140 L 8.33 4.45 0.00 1.67 1.54 0.86 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 141 L 8.07 3.42 0.00 1.52 1.63 0.76 0.48 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 0.00 142 S 7.73 4.47 0.00 3.99 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 0.00 143 S 7.96 4.28 0.00 3.93 3.98 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 0.00 144 D 8.73 4.52 0.00 2.75 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 0.00 145 S 8.16 4.60 0.00 4.01 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 0.00 146 F 7.81 4.91 0.00 2.97 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 0.00 147 H 7.65 4.29 0.00 2.97 2.82 0.00 5.73 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 148 P 0.00 4.30 0.00 2.03 2.03 0.00 2.94 0.00 0.00 3.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.88 0.00 149 D 7.94 5.28 0.00 2.74 2.79 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 0.00 0.00 0.00 150 K 7.81 3.69 0.00 1.52 0.74 0.00 1.43 0.00 0.00 1.26 0.00 0.00 3.19 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.07 1.18 7.81 151 D 8.68 4.31 0.00 2.74 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 0.00 152 E 8.18 3.99 0.00 1.79 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.33 0.00 153 Y 7.41 4.62 0.00 2.92 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 0.00 154 Y 8.36 4.81 0.00 3.06 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 0.00 155 K 8.07 3.85 0.00 1.83 1.87 0.00 1.67 0.00 0.00 1.64 0.00 0.00 2.90 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.48 1.63 7.81 156 D 7.79 3.95 0.00 1.73 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 0.00 0.00 0.00 157 F 8.02 4.75 0.00 3.12 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 0.00 158 L 7.49 4.41 0.00 1.64 1.60 1.01 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.