NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 5.1078 8.1633 120.7195 55.2872 34.0658 173.8456 2 R 5.0796 9.0809 117.8785 53.1263 34.7661 169.5837 3 V 5.4833 8.5807 121.3359 59.3309 35.6265 173.7715 4 V 4.8249 8.6995 124.8157 61.5634 33.4646 174.0490 5 I 4.9400 9.0839 129.6687 59.7474 39.6058 174.6000 6 Q 5.2121 9.2537 126.4647 53.8937 31.8398 175.0300 7 R 4.6301 8.4739 124.8354 56.4597 31.4635 175.6028 8 V 5.0319 8.8686 117.9165 60.0417 36.1543 175.8028 9 K 4.3523 9.2405 122.8502 57.3043 32.5881 177.6529 10 G 4.7134 7.3260 112.1424 45.5234 0.0000 171.5038 11 A 5.2464 8.4518 123.7392 50.1042 23.3673 175.1812 12 I 4.5509 8.9624 123.3853 59.4881 39.9663 174.5182 13 L 4.9009 8.6280 130.0192 54.1491 44.0876 175.5137 14 S 5.2714 8.8089 119.8905 57.2940 68.2709 172.8159 15 V 4.7545 8.4904 113.4103 59.2616 36.4074 175.5431 16 R 4.0701 8.8896 122.7308 57.5438 30.3380 177.1692 *26 E 4.1661 8.4278 116.6732 55.7439 31.2395 173.5302 27 L 5.2264 8.3626 121.8818 52.1938 45.2097 175.4484 28 E 4.8125 8.7071 118.5863 54.3800 32.6357 175.3184 29 I 4.4894 8.6928 123.3261 61.1410 37.2573 175.4254 30 I 4.3755 8.4010 119.6326 61.5248 39.7235 175.9932 31 S 4.9436 7.7922 116.6988 56.6683 66.8231 172.9562 32 E 5.3036 8.3644 121.1623 55.2921 32.4090 174.1646 33 I 4.8046 8.8417 119.6536 58.7139 41.3815 175.0935 34 K 4.8660 9.6799 125.7003 55.7013 31.2732 176.6398 35 N 4.2417 8.3174 122.5729 54.5239 39.4600 174.3909 36 G 4.0749 7.2065 108.6658 45.2115 0.0000 171.7720 37 L 5.4301 8.3485 121.7514 52.9998 46.0279 175.6226 38 I 4.8191 8.5030 120.1271 59.4775 41.5819 173.7897 39 C 5.1184 8.8865 126.4661 57.8958 31.5394 173.1576 40 F 4.7626 9.3320 124.6588 56.7794 40.0947 174.8234 41 L 4.6945 9.6412 127.5736 53.3524 43.8989 174.9846 42 G 4.3216 8.8709 115.0657 45.0288 0.0000 170.9383 43 I 5.0606 8.6954 127.3720 60.2436 39.1053 174.8094 44 H 4.4213 10.2637 128.2014 54.4440 30.7667 175.8951 45 K 3.6945 7.9141 125.8034 60.0054 32.1465 177.0631 46 N 4.7325 8.1080 114.0570 52.8828 38.5860 174.4543 47 D 4.7576 8.0428 120.2752 53.7434 40.6188 176.7459 48 T 4.4717 9.1546 115.8309 60.5440 69.8951 175.6687 49 W 4.6422 9.0535 130.9734 60.6222 30.6462 177.7600 50 E 3.8103 8.3603 118.4407 59.2346 28.3847 178.6100 51 D 4.3500 8.2056 118.6116 57.2738 40.9991 178.6821 52 A 4.0295 8.1208 120.5112 55.1957 18.4739 179.0850 53 L 3.3564 7.1374 117.5763 58.1969 41.7137 179.3557 54 Y 3.7881 7.7105 118.3875 60.7396 38.6633 178.0427 55 I 3.8119 7.5189 119.8988 64.5954 37.1192 178.3903 56 I 3.0128 7.4099 120.2495 63.9845 36.8669 178.0908 57 R 3.6780 7.5754 119.3270 59.6603 29.8301 178.7175 58 K 3.8274 7.7842 117.7710 59.5640 31.7949 179.0685 59 C 4.1702 8.0229 116.0303 62.9650 27.9394 175.8351 60 L 4.2837 8.2783 120.2815 56.2522 41.1910 177.9758 61 N 4.7270 8.1277 113.6181 52.6410 39.6239 174.7374 62 L 4.2139 7.8826 120.1864 54.6690 42.3157 176.7884 63 R 4.6768 8.4161 122.3976 54.9642 28.8697 176.4296 64 L 4.8787 8.3262 119.5912 53.8867 43.4115 176.4927 65 W 4.5879 8.4208 120.5439 54.3989 30.7250 175.7484 66 N 4.7672 8.4133 120.4549 53.5230 38.8385 174.7790 67 N 4.4969 9.0665 118.8524 52.9251 40.0194 175.0743 68 D 4.1936 7.6958 129.1491 53.5802 38.7786 173.7857 69 N 4.7967 6.5688 128.0083 52.4450 38.3936 173.0936 70 K 4.5995 7.5056 115.8981 54.5291 34.5912 176.8211 71 T 4.2800 8.3956 113.2593 61.7323 70.0200 174.2277 72 W 3.8769 7.8758 119.3975 57.0015 26.8912 173.1998 73 D 4.6822 7.9965 116.4392 55.0854 43.7465 175.3839 74 K 4.7652 8.5116 118.8706 54.5963 34.3418 176.1618 75 N 5.8155 9.0428 120.6098 51.2328 40.1070 175.3943 76 V 3.3925 8.4786 115.9350 66.1335 32.4003 179.1241 77 K 3.3796 7.4772 119.6657 59.5319 32.1086 178.7734 78 D 4.2510 9.0264 117.8206 57.5869 40.6518 177.8353 79 L 3.8149 6.9709 114.4117 54.0097 41.8784 176.7984 80 N 4.4778 7.3359 114.8399 53.5990 36.1713 171.5913 81 Y 5.1356 8.0879 115.0814 56.6111 41.7658 176.1463 82 E 5.0694 8.6304 118.4789 54.8973 33.5252 175.4141 83 L 5.3313 8.9221 119.8747 52.9842 46.2015 175.9491 84 L 5.2309 8.4648 124.0316 52.5956 44.5719 175.1967 85 I 4.6289 8.1865 128.0636 59.8503 38.3915 175.4020 86 V 4.5074 8.3432 127.8330 60.8664 34.1655 174.5244 87 S 4.8556 8.7150 122.5446 58.4243 63.0999 174.0742 88 Q 4.6127 8.9150 126.5705 52.9381 28.9314 175.5829 89 F 4.2278 9.3299 118.6899 60.1376 38.0655 178.2068 90 T 4.0523 6.6275 108.4185 62.0467 68.7925 175.7724 91 L 3.9633 7.5474 122.2373 56.6741 41.6911 177.4910 92 F 4.7933 7.4839 114.8038 56.5991 39.9158 175.8145 93 G 4.0531 7.6316 110.6100 46.2838 0.0000 172.6594 94 N 5.0126 8.4981 127.4732 53.1371 37.2102 175.6162 95 T 4.4075 8.4983 108.5955 64.7562 71.4666 174.5799 96 K 3.8147 8.1888 118.2625 56.6237 32.7102 175.8496 97 K 3.6259 8.3474 120.6463 56.5214 32.1165 173.7276 98 G 3.1468 8.5182 112.7992 44.4968 0.0000 172.5932 99 N 4.5479 8.3519 124.4535 53.5949 39.1672 175.7561 100 K 4.2027 7.7151 120.1574 55.0642 33.0326 174.4863 101 P 4.7043 0.0000 0.0000 62.0523 32.7487 174.8775 102 D 3.7597 7.9912 116.8806 51.8042 42.4428 175.7175 103 F 5.1292 7.0402 120.3147 57.4647 39.2067 174.9176 104 H 4.9936 7.8341 111.4631 55.5258 29.8708 175.4075 105 L 4.5584 7.7621 122.6976 55.2542 44.9046 176.2102 106 A 4.3719 8.0201 119.9112 51.1268 19.0757 177.4342 107 K 3.8851 8.7914 123.4291 56.2692 33.3197 176.2207 108 E 3.9467 8.8517 126.2952 56.1284 29.5625 175.7446 109 P 4.4720 0.0000 0.0000 64.4988 31.8829 177.1150 110 N 4.6649 8.6803 116.8204 55.5563 39.3606 177.1474 111 E 4.0418 8.1609 118.9724 59.1436 29.4672 179.4444 112 A 4.1093 7.9701 120.7209 55.0927 18.7677 179.1472 113 L 2.9228 7.7497 118.3878 58.0643 42.0613 178.5999 114 I 3.6302 7.4653 119.6816 64.6169 37.0468 177.5975 115 F 3.9455 8.4121 120.8375 61.8877 39.3872 176.3882 116 Y 4.3344 9.0910 119.0704 61.3986 38.6927 178.3250 117 N 4.6219 8.4373 116.6211 55.8270 38.5947 177.6171 118 K 3.8118 8.0327 120.2173 59.5498 32.1586 178.9536 119 I 3.9487 7.9724 120.0150 65.0146 37.1257 178.5726 120 I 4.0811 7.7659 119.7513 64.1229 36.8087 178.1583 121 D 4.4070 8.0985 119.7686 57.4755 40.7185 178.4859 122 E 3.9843 8.5141 119.6388 59.2684 29.5841 178.5623 123 F 3.9577 8.8044 118.1912 60.7237 39.0553 177.8972 124 K 4.0448 8.2896 117.7735 59.4671 31.7065 179.4392 125 K 4.0865 8.7577 118.6240 58.7770 32.1160 177.8480 126 Q 4.4294 8.0453 116.7408 57.4123 29.9681 175.0928 127 Y 4.7864 9.1181 119.9263 54.6674 39.5558 173.6228 128 N 5.1515 7.5743 128.3988 53.2574 43.4214 175.6941 129 D 4.3916 8.0797 126.4186 55.9073 39.8554 177.9354 130 D 4.1973 7.7280 118.8192 56.3819 41.3837 176.6787 131 K 4.1956 7.9760 117.0441 56.4774 32.4164 175.8444 132 I 4.5321 6.8389 120.5953 59.5571 36.8344 174.8748 133 K 4.4393 8.7607 126.4941 55.7121 33.8216 175.9391 134 I 4.9568 8.2371 116.4234 59.2227 40.9220 173.7848 135 G 4.1819 8.0883 108.3371 44.3279 0.0000 174.0104 136 K 4.3121 8.4173 119.1875 54.6965 31.1037 176.3107 137 F 3.7077 8.5576 126.5495 59.6492 39.3500 175.2663 138 G 3.6196 8.2730 115.4654 45.8069 0.0000 172.2256 139 N 4.8401 7.5034 116.5304 50.9602 40.7265 173.9337 140 Y 4.1742 8.3559 120.8616 57.8414 39.3667 174.3673 141 M 4.9576 7.5231 125.3641 53.3662 36.4101 174.3843 142 N 4.7739 8.7340 118.8059 51.9952 42.1485 173.1230 143 I 4.7916 8.3125 127.0869 59.4191 39.7281 175.1720 144 D 4.5597 8.7339 128.4168 54.1601 41.6083 175.8495 145 V 4.5769 8.4664 123.3872 61.4330 34.3435 175.9502 146 T 4.5363 8.4920 124.8338 61.4024 67.7217 172.5617 147 N 4.7103 8.3888 120.9469 53.6538 39.4850 174.0908 148 D 4.3457 9.5017 122.8459 56.1115 42.5710 173.8237 149 G 3.6230 8.9897 117.2735 44.7334 0.0000 171.5112 150 P 4.6193 0.0000 0.0000 60.6545 33.0094 175.6004 151 V 4.4648 8.0753 117.1326 61.5211 34.5652 173.9643 152 T 4.9542 8.7152 124.0192 62.0322 71.2129 173.1904 153 I 4.3621 8.6045 128.4168 60.1023 38.9807 174.4451 154 Y 5.2334 8.6050 127.7521 56.1213 40.9101 174.7535 155 I 4.3822 7.3403 125.3783 59.5833 41.7617 173.6126 156 D 5.1052 8.2001 124.9892 52.8168 44.3588 175.5636 157 T 3.9628 8.6256 115.3285 62.4125 69.2627 175.7619 158 H 4.4927 7.6491 118.0006 57.4222 29.1203 176.0935 159 D 4.5324 7.6002 117.7954 55.8031 40.8636 176.4491 160 I 4.0772 7.0195 124.4448 61.3048 37.7015 175.1035 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 M 8.16 5.11 0.00 1.73 2.01 0.00 0.00 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.15 0.00 2 R 9.08 5.08 0.00 1.45 1.79 0.00 2.21 0.00 0.00 3.17 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.79 0.00 3 V 8.58 5.48 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 0.75 0.00 0.00 1.02 0.00 0.00 4 V 8.70 4.82 2.31 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 1.00 0.00 0.00 1.08 0.00 0.00 5 I 9.08 4.94 1.91 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.87 0.93 0.00 0.00 6 Q 9.25 5.21 0.00 2.11 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 7.01 0.00 0.00 0.00 0.00 0.00 2.34 2.39 0.00 7 R 8.47 4.63 0.00 1.68 1.64 0.00 2.21 0.00 0.00 2.35 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.67 0.00 8 V 8.87 5.03 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 0.72 0.00 0.00 1.04 0.00 0.00 9 K 9.24 4.35 0.00 1.63 1.85 0.00 1.87 0.00 0.00 1.89 0.00 0.00 2.79 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.50 1.56 7.81 10 G 7.33 4.71 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 0.00 0.00 0.00 11 A 8.45 5.25 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 12 I 8.96 4.55 1.88 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 1.11 1.20 0.91 0.00 0.00 13 L 8.63 4.90 0.00 1.73 1.51 0.91 0.36 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 14 S 8.81 5.27 0.00 3.90 3.79 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 15 V 8.49 4.75 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 0.81 0.00 0.00 0.96 0.00 0.00 16 R 8.89 4.07 0.00 1.82 1.90 0.00 3.31 0.00 0.00 3.10 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.70 0.00 *26 E 8.43 4.17 0.00 2.01 1.78 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 2.13 1.91 0.00 27 L 8.36 5.23 0.00 1.52 1.90 1.07 0.94 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 28 E 8.71 4.81 0.00 2.02 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 0.00 2.18 2.27 0.00 29 I 8.69 4.49 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 1.04 0.96 0.97 0.00 0.00 30 I 8.40 4.38 1.88 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 1.24 0.53 0.93 0.00 0.00 31 S 7.79 4.94 0.00 3.76 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 32 E 8.36 5.30 0.00 1.93 1.76 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 2.18 2.28 0.00 33 I 8.84 4.80 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 1.20 1.22 0.89 0.00 0.00 34 K 9.68 4.87 0.00 1.61 1.44 0.00 1.68 0.00 0.00 1.61 0.00 0.00 2.89 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.48 1.48 7.81 35 N 8.32 4.24 0.00 1.68 1.42 0.00 0.00 6.77 7.69 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 36 G 7.21 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 37 L 8.35 5.43 0.00 1.71 1.61 1.10 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 0.00 0.00 0.00 0.00 0.00 0.00 38 I 8.50 4.82 1.77 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.44 0.81 0.92 0.00 0.00 39 C 8.89 5.12 0.00 2.67 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 40 F 9.33 4.76 0.00 2.96 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 41 L 9.64 4.69 0.00 1.84 1.75 1.05 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 42 G 8.87 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 0.00 0.00 0.00 43 I 8.70 5.06 2.12 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.89 0.94 0.00 0.00 44 H 10.26 4.42 0.00 3.27 3.46 0.00 5.62 0.00 0.00 0.00 0.00 6.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 K 7.91 3.69 0.00 1.81 1.84 0.00 1.58 0.00 0.00 1.59 0.00 0.00 2.91 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.31 1.31 7.81 46 N 8.11 4.73 0.00 2.75 2.87 0.00 0.00 6.94 8.06 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 47 D 8.04 4.76 0.00 2.43 2.54 0.00 0.00 0.00 0.00 0.00 0.00 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 T 9.15 4.47 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 1.30 0.00 0.00 49 W 9.05 4.64 0.00 3.38 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 50 E 8.36 3.81 0.00 2.05 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 2.47 2.38 0.00 51 D 8.21 4.35 0.00 3.06 2.82 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 52 A 8.12 4.03 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 L 7.14 3.36 0.00 1.54 1.51 -0.49 0.64 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 54 Y 7.71 3.79 0.00 3.05 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 55 I 7.52 3.81 2.10 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.81 1.06 0.00 0.00 56 I 7.41 3.01 1.57 0.00 0.00 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.21 0.33 0.16 0.00 0.00 57 R 7.58 3.68 0.00 1.69 1.85 0.00 2.87 0.00 0.00 2.99 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 1.48 0.00 58 K 7.78 3.83 0.00 1.76 1.75 0.00 1.60 0.00 0.00 1.42 0.00 0.00 2.41 0.00 0.00 2.51 0.00 0.00 0.00 0.00 0.82 1.12 7.81 59 C 8.02 4.17 0.00 3.41 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 60 L 8.28 4.28 0.00 1.57 1.57 0.81 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 61 N 8.13 4.73 0.00 2.64 2.75 0.00 0.00 7.06 7.55 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 62 L 7.88 4.21 0.00 1.85 1.61 0.91 0.88 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 63 R 8.42 4.68 0.00 1.97 2.06 0.00 3.11 0.00 0.00 3.38 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.83 0.00 64 L 8.33 4.88 0.00 0.85 1.39 0.81 1.12 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 65 W 8.42 4.59 0.00 3.45 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 66 N 8.41 4.77 0.00 2.63 2.67 0.00 0.00 6.77 8.00 0.00 0.00 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 N 9.07 4.50 0.00 2.73 2.68 0.00 0.00 7.28 8.53 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 68 D 7.70 4.19 0.00 2.75 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 69 N 6.57 4.80 0.00 2.81 2.91 0.00 0.00 7.18 6.68 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 70 K 7.51 4.60 0.00 1.90 1.71 0.00 1.87 0.00 0.00 1.71 0.00 0.00 3.21 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.38 1.35 7.81 71 T 8.40 4.28 4.15 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 1.22 0.00 0.00 72 W 7.88 3.88 0.00 3.42 3.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 D 8.00 4.68 0.00 2.85 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 74 K 8.51 4.77 0.00 2.00 1.66 0.00 1.83 0.00 0.00 1.70 0.00 0.00 2.92 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.38 1.59 7.81 75 N 9.04 5.82 0.00 3.14 3.08 0.00 0.00 6.51 7.24 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 76 V 8.48 3.39 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 1.32 0.00 0.00 1.20 0.00 0.00 77 K 7.48 3.38 0.00 1.93 1.58 0.00 1.49 0.00 0.00 1.36 0.00 0.00 2.72 0.00 0.00 2.79 0.00 0.00 0.00 0.00 0.30 1.17 7.81 78 D 9.03 4.25 0.00 2.49 2.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 L 6.97 3.81 0.00 0.53 0.28 0.11 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 80 N 7.34 4.48 0.00 2.78 2.84 0.00 0.00 6.83 6.78 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 81 Y 8.09 5.14 0.00 2.61 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 82 E 8.63 5.07 0.00 1.89 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.23 0.00 83 L 8.92 5.33 0.00 1.59 1.38 1.16 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 84 L 8.46 5.23 0.00 1.68 1.40 0.91 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 85 I 8.19 4.63 1.61 0.00 0.00 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 0.04 0.68 0.00 0.00 86 V 8.34 4.51 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 0.86 0.00 0.00 87 S 8.71 4.86 0.00 3.38 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 88 Q 8.92 4.61 0.00 2.06 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.44 0.00 0.00 0.00 0.00 0.00 2.46 2.62 0.00 89 F 9.33 4.23 0.00 3.03 3.14 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 0.00 0.00 0.00 0.00 90 T 6.63 4.05 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 -0.05 0.00 0.00 91 L 7.55 3.96 0.00 1.46 1.35 0.99 0.70 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 92 F 7.48 4.79 0.00 3.27 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 93 G 7.63 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 0.00 0.00 0.00 94 N 8.50 5.01 0.00 2.87 2.88 0.00 0.00 6.06 7.71 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 95 T 8.50 4.41 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 96 K 8.19 3.81 0.00 1.85 1.85 0.00 1.61 0.00 0.00 1.63 0.00 0.00 2.79 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.41 1.45 7.81 97 K 8.35 3.63 0.00 1.73 1.80 0.00 1.76 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.43 1.49 7.81 98 G 8.52 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 0.00 0.00 0.00 99 N 8.35 4.55 0.00 2.73 2.87 0.00 0.00 7.12 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 0.00 100 K 7.72 4.20 0.00 1.71 1.67 0.00 1.76 0.00 0.00 1.73 0.00 0.00 3.03 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.39 1.44 7.81 101 P 0.00 4.70 0.00 2.53 2.16 0.00 3.86 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 2.30 2.10 0.00 102 D 7.99 3.76 0.00 2.61 2.46 0.00 0.00 0.00 0.00 0.00 0.00 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 7.04 5.13 0.00 3.17 3.33 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 0.00 104 H 7.83 4.99 0.00 3.06 3.25 0.00 5.83 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 L 7.76 4.56 0.00 1.70 1.30 0.87 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 106 A 8.02 4.37 1.52 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 0.00 0.00 107 K 8.79 3.89 0.00 1.73 1.76 0.00 1.68 0.00 0.00 1.36 0.00 0.00 2.94 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.42 1.34 7.81 108 E 8.85 3.95 0.00 2.02 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.31 0.00 109 P 0.00 4.47 0.00 2.13 2.19 0.00 3.77 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 2.22 0.00 110 N 8.68 4.66 0.00 2.82 2.84 0.00 0.00 6.99 8.15 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 0.00 111 E 8.16 4.04 0.00 2.15 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 2.45 2.41 0.00 112 A 7.97 4.11 1.53 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 0.00 0.00 113 L 7.75 2.92 0.00 1.01 1.58 0.11 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 114 I 7.47 3.63 2.15 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 1.40 0.56 0.93 0.00 0.00 115 F 8.41 3.95 0.00 3.40 3.39 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 0.00 116 Y 9.09 4.33 0.00 3.46 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 0.00 117 N 8.44 4.62 0.00 2.98 2.90 0.00 0.00 7.07 6.47 0.00 0.00 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 K 8.03 3.81 0.00 1.78 1.32 0.00 1.23 0.00 0.00 0.77 0.00 0.00 2.62 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.08 1.27 7.81 119 I 7.97 3.95 2.16 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.86 1.18 0.00 0.00 120 I 7.77 4.08 1.92 0.00 0.00 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.00 0.93 0.00 0.00 121 D 8.10 4.41 0.00 2.98 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 0.00 122 E 8.51 3.98 0.00 2.44 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 2.27 0.00 123 F 8.80 3.96 0.00 3.22 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 0.00 124 K 8.29 4.04 0.00 2.06 1.90 0.00 1.79 0.00 0.00 1.60 0.00 0.00 2.93 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.49 1.68 7.81 125 K 8.76 4.09 0.00 1.83 2.03 0.00 1.82 0.00 0.00 1.98 0.00 0.00 3.04 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.48 1.51 7.81 126 Q 8.05 4.43 0.00 2.14 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.02 6.58 0.00 0.00 0.00 0.00 0.00 2.27 2.50 0.00 127 Y 9.12 4.79 0.00 3.04 2.82 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 0.00 128 N 7.57 5.15 0.00 2.79 1.98 0.00 0.00 7.16 8.54 0.00 0.00 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 D 8.08 4.39 0.00 2.89 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 0.00 130 D 7.73 4.20 0.00 2.57 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 0.00 131 K 7.98 4.20 0.00 1.12 1.46 0.00 1.86 0.00 0.00 1.53 0.00 0.00 2.75 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.10 0.50 7.81 132 I 6.84 4.53 1.88 0.00 0.00 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 1.29 1.07 0.81 0.00 0.00 133 K 8.76 4.44 0.00 1.67 1.70 0.00 1.60 0.00 0.00 1.68 0.00 0.00 2.93 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.41 1.70 7.81 134 I 8.24 4.96 2.05 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.73 0.96 0.00 0.00 135 G 8.09 4.18 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 0.00 136 K 8.42 4.31 0.00 1.80 1.81 0.00 1.73 0.00 0.00 1.76 0.00 0.00 2.89 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.53 1.38 7.81 137 F 8.56 3.71 0.00 2.63 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 0.00 138 G 8.27 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 0.00 139 N 7.50 4.84 0.00 2.93 2.78 0.00 0.00 6.83 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 0.00 140 Y 8.36 4.17 0.00 2.97 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 0.00 141 M 7.52 4.96 0.00 1.78 1.75 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 2.41 2.44 0.00 142 N 8.73 4.77 0.00 2.88 2.69 0.00 0.00 7.27 8.01 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 0.00 143 I 8.31 4.79 1.93 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 1.34 0.78 0.94 0.00 0.00 144 D 8.73 4.56 0.00 2.73 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 0.00 145 V 8.47 4.58 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 0.91 0.00 0.00 1.08 0.00 0.00 146 T 8.49 4.54 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 1.22 0.00 0.00 147 N 8.39 4.71 0.00 2.62 2.79 0.00 0.00 6.93 8.06 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 0.00 148 D 9.50 4.35 0.00 2.83 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 0.00 149 G 8.99 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 0.00 150 P 0.00 4.62 0.00 2.21 2.10 0.00 3.33 0.00 0.00 2.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.92 0.00 151 V 8.08 4.46 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 1.22 0.00 0.00 0.92 0.00 0.00 152 T 8.72 4.95 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 1.27 0.00 0.00 153 I 8.60 4.36 1.89 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.86 0.90 0.00 0.00 154 Y 8.61 5.23 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 0.00 155 I 7.34 4.38 1.74 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 1.09 0.40 0.92 0.00 0.00 156 D 8.20 5.11 0.00 2.79 2.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 157 T 8.63 3.96 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 1.02 0.00 0.00 158 H 7.65 4.49 0.00 3.22 3.35 0.00 5.66 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 0.00 159 D 7.60 4.53 0.00 2.76 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 0.00 160 I 7.02 4.08 1.66 0.00 0.00 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.38 0.86 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.