NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 5.1538 8.1400 114.8008 57.8418 64.6879 173.9697 2 L 4.0024 8.8174 124.4266 58.4229 41.7775 178.2953 3 L 4.0365 8.1440 118.7144 57.6666 42.0886 178.4178 4 E 3.9787 7.9317 118.8125 59.3492 29.4967 178.6543 5 F 4.6791 8.8422 121.1824 61.3857 39.4621 177.2322 6 G 3.5410 8.4033 105.5725 47.7520 0.0000 175.6108 7 K 4.0483 8.2949 122.1108 59.2441 32.2050 178.5986 8 M 4.1621 8.3557 118.6654 58.6666 32.0964 178.2222 9 I 3.6431 7.9436 120.1879 64.2581 37.2002 178.1441 10 L 4.4625 7.8422 122.2853 57.8963 41.7537 178.7999 11 E 3.9896 8.3031 117.4919 59.3231 29.4131 178.8244 12 E 4.1267 8.1755 118.7980 58.9322 29.9432 177.9740 13 T 4.4654 8.2702 107.4687 60.8048 70.3332 175.6590 14 G 3.7850 8.2669 109.8119 45.7286 0.0000 173.0031 *16 K 4.3758 7.4487 117.7549 55.8354 33.5270 175.1702 17 L 4.3379 8.1484 122.2578 54.3435 42.6554 177.9873 18 A 4.0377 8.8717 126.3064 54.7756 18.5846 177.2577 19 I 4.6086 7.6603 116.4675 59.4557 38.1963 173.6233 20 P 5.0541 0.0000 0.0000 61.8085 31.7015 176.4628 21 S 4.2721 7.8808 116.2942 60.7821 62.6626 174.5702 22 Y 4.6770 8.2355 114.6865 57.3915 39.2145 176.6740 23 S 4.5408 8.1292 115.3677 60.4246 63.9983 174.6891 24 S 5.0704 7.8820 116.5376 57.6890 63.1539 172.4552 25 Y 4.9482 8.2546 122.1131 58.0309 40.8416 175.5193 26 G 3.4538 8.1067 116.0014 46.9521 0.0000 173.2905 27 C 4.5286 8.9371 114.9604 57.9717 40.5424 174.3474 28 Y 4.4451 8.7519 115.5248 57.4577 39.7605 174.3855 29 C 4.9605 8.5422 119.2513 58.0701 40.8169 173.0542 30 G 4.9422 10.4632 118.1216 46.5843 0.0000 174.7985 31 W 5.1972 7.7446 128.1065 54.7686 30.6886 173.7298 32 G 4.5177 7.7082 106.5880 44.8422 0.0000 173.8189 33 G 4.9535 7.8132 117.0226 46.4045 0.0000 172.5369 34 K 4.5741 6.5879 116.0827 56.3307 35.1723 175.2560 35 G 4.4507 9.3509 106.6121 45.0272 0.0000 172.9041 36 T 4.2559 7.9639 115.2123 61.6170 69.2151 173.6418 37 P 4.6350 0.0000 0.0000 63.0274 31.8776 176.8468 38 K 3.7991 9.0615 122.3247 58.9779 32.2803 176.8310 39 D 4.4238 7.2956 116.5819 51.3647 42.8206 175.8749 40 A 4.0190 8.4425 120.4073 55.8055 18.3413 179.7251 41 T 4.0046 8.0711 113.5869 67.0407 68.5284 176.1312 42 D 4.6141 8.9394 120.1154 57.5477 41.1232 178.5175 43 R 3.9538 8.2092 118.6660 59.2721 29.9503 178.3002 44 C 4.2429 8.3998 116.5050 60.3637 39.0558 175.6141 45 C 4.3339 8.4051 117.6809 59.7010 40.8027 175.7152 46 F 3.6145 8.5071 122.6654 61.3527 38.9057 177.4202 47 V 3.4092 8.0591 117.8394 66.1470 31.2839 177.4083 48 H 3.8641 8.2693 118.0797 59.1767 29.1336 176.9648 49 D 4.1544 8.1858 121.0398 57.5786 40.6319 178.2189 50 C 4.1218 7.8910 117.0619 59.8077 39.8624 175.2765 51 C 4.0964 8.0663 119.7348 59.9752 44.4252 175.0383 52 Y 4.3990 7.9909 118.4610 61.0164 37.2051 178.5897 53 G 3.6243 8.1855 106.0627 47.6219 0.0000 174.9579 54 N 4.5474 8.0124 117.0605 54.3624 39.7534 175.0608 55 L 4.8167 7.5223 119.9865 52.9368 41.9734 175.2652 56 P 4.2031 0.0000 0.0000 65.4679 32.3500 178.2218 *59 D 4.9651 7.8769 117.9145 54.4473 42.2532 175.3567 *61 C 5.2692 7.6510 116.0088 57.3362 42.3299 172.9351 *67 N 4.9176 7.9415 116.2232 52.6585 38.5378 173.5444 68 P 4.0156 0.0000 0.0000 65.0493 32.1875 179.2635 69 K 4.1113 8.0933 117.7913 58.5184 32.2021 178.5244 70 S 4.5498 7.8241 110.9423 58.5145 64.8173 173.6904 71 D 4.4571 8.1336 121.6304 53.6026 41.2268 175.4309 72 R 4.3175 8.5084 126.3871 55.3290 31.0766 175.5176 73 Y 4.8482 7.7426 120.8007 55.1994 40.6030 174.7606 74 K 4.9454 8.5109 119.4564 55.0985 34.8411 175.0190 75 Y 5.5197 8.3060 120.8249 55.7771 41.4383 173.4218 76 K 4.6478 9.3276 118.5373 55.2700 36.8860 174.9279 77 R 5.0183 8.5325 119.1766 54.6647 32.4170 176.7437 78 V 4.1891 8.8402 125.1129 61.7105 32.1349 176.6485 79 N 4.2678 8.1163 127.6258 54.3367 36.9662 178.1787 80 G 3.7653 8.9608 117.2684 47.7526 0.0000 173.7042 81 A 4.0790 7.8441 124.0013 52.2709 18.8923 176.1815 82 I 4.6866 8.2283 123.3262 60.4966 38.4578 175.5122 83 V 4.3544 8.9424 127.5445 60.9508 33.9563 173.9798 84 C 4.8158 8.8961 126.3731 57.2310 40.5484 173.5314 85 E 4.6680 9.0004 123.7462 54.6717 31.2640 176.0733 86 K 4.1550 8.4663 123.3961 56.4024 33.5984 175.2951 *88 G 4.2563 8.2559 115.0547 45.2954 0.0000 173.3136 89 T 4.2132 8.7623 115.7780 60.8705 70.9553 175.7451 90 S 4.0734 8.5289 116.7408 61.9862 62.8070 177.1538 91 C 4.1885 8.1743 119.8679 59.6946 38.1078 175.7796 92 E 4.0069 8.2504 119.8576 59.5715 29.0680 179.1837 93 N 4.2702 8.3544 116.4914 56.5100 38.6245 177.7642 94 R 3.8748 8.0259 119.2819 59.1640 30.1356 179.1415 95 I 3.6242 8.0647 120.0887 64.4367 37.0977 177.5919 96 C 2.8174 8.0813 119.6003 59.3119 43.3313 175.5294 97 E 3.7933 7.9339 120.0713 59.3381 29.0404 178.6667 98 C 4.1386 7.9872 116.5847 60.1693 40.9203 176.0026 99 D 3.7140 7.9015 120.3475 56.8395 40.3137 178.5403 100 K 3.6848 8.2013 120.3447 59.5052 32.1654 178.4763 101 A 3.8488 7.8470 120.5152 55.1326 18.2847 179.4382 102 A 3.4539 7.6796 118.7315 55.0245 18.4091 179.7281 103 A 3.8449 8.0647 119.3888 55.3057 18.3783 179.9387 104 I 3.6269 7.7722 118.3739 64.5819 36.9411 177.8117 105 C 4.1930 8.2421 118.4715 59.6765 37.9141 175.2868 106 F 4.6231 8.1981 119.7296 60.7047 38.1133 177.5840 107 R 3.9571 8.1598 118.2855 59.5751 29.7041 178.3155 108 Q 4.1410 8.4246 118.0755 57.9718 29.2653 176.1938 109 N 5.0726 7.7125 115.6475 52.9842 39.3703 176.3781 110 L 4.2114 7.8867 121.7748 57.6179 41.8234 179.2828 111 N 4.4236 8.3559 115.3646 55.0958 37.2072 175.4823 112 T 4.5691 7.7505 106.2497 60.8107 69.9691 173.5266 113 Y 4.1210 7.7842 124.7853 58.4376 39.3377 174.9975 114 S 4.5915 8.7965 120.6274 56.1029 65.2127 174.8992 115 K 4.0452 8.8824 127.3399 59.1159 32.0390 178.9816 116 K 3.9022 7.7952 116.7678 59.0899 32.5051 176.9195 117 Y 4.4672 7.5288 116.7367 57.9126 38.2084 175.3408 118 M 4.4486 7.5956 120.7962 56.2583 32.5388 175.9588 119 L 3.6944 8.5976 121.2803 55.7069 39.9901 174.5489 120 Y 4.1787 8.1377 119.0429 56.8433 39.7175 173.4702 121 P 4.4631 0.0000 0.0000 62.1267 32.7338 176.4221 122 D 4.2560 8.9770 121.2833 57.3870 41.1230 178.2320 *124 F 4.7325 7.8334 110.9411 56.5080 39.5663 175.2253 125 L 3.7943 6.7879 119.4349 54.6012 41.2350 175.9631 126 C 4.8885 8.1189 117.2233 55.0114 42.4676 173.3295 127 K 4.6794 8.4749 123.5209 55.4362 35.4417 177.0963 128 G 4.2557 8.9128 107.9707 45.8118 0.0000 172.0625 129 E 4.7943 8.3733 119.9621 54.3506 31.0303 175.3768 130 L 4.6883 8.4874 124.9415 52.9249 44.0434 175.9116 131 K 4.1918 8.4242 125.4888 56.3828 33.0725 177.8195 *133 C 4.9450 8.5472 118.2011 57.5214 41.5366 173.7879 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 S 8.14 5.15 0.00 4.15 4.12 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.82 4.00 0.00 2.00 1.84 1.19 0.59 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 3 L 8.14 4.04 0.00 1.76 1.73 0.95 0.87 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 4 E 7.93 3.98 0.00 1.96 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 2.14 2.37 0.00 5 F 8.84 4.68 0.00 3.43 3.32 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 6 G 8.40 3.54 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 0.00 0.00 0.00 7 K 8.29 4.05 0.00 1.90 2.06 0.00 1.68 0.00 0.00 1.62 0.00 0.00 3.09 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.53 1.49 7.81 8 M 8.36 4.16 0.00 2.43 2.16 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.60 0.00 9 I 7.94 3.64 1.86 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 0.95 0.23 0.71 0.00 0.00 10 L 7.84 4.46 0.00 1.78 1.82 0.96 0.61 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 11 E 8.30 3.99 0.00 2.04 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 2.39 2.67 0.00 12 E 8.18 4.13 0.00 2.10 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 2.45 2.38 0.00 13 T 8.27 4.47 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 1.31 0.00 0.00 14 G 8.27 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 0.00 0.00 0.00 *16 K 7.45 4.38 0.00 1.88 1.61 0.00 1.37 0.00 0.00 0.89 0.00 0.00 2.45 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.18 1.25 7.81 17 L 8.15 4.34 0.00 1.69 1.73 0.91 1.04 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 18 A 8.87 4.04 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 19 I 7.66 4.61 1.90 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 1.53 0.70 0.94 0.00 0.00 20 P 0.00 5.05 0.00 2.18 2.14 0.00 3.36 0.00 0.00 2.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.92 0.00 21 S 7.88 4.27 0.00 3.77 3.24 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 22 Y 8.24 4.68 0.00 2.67 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 23 S 8.13 4.54 0.00 4.10 4.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 S 7.88 5.07 0.00 4.02 4.08 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 25 Y 8.25 4.95 0.00 2.94 2.84 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 26 G 8.11 3.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 C 8.94 4.53 0.00 2.86 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 28 Y 8.75 4.45 0.00 3.53 3.24 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 29 C 8.54 4.96 0.00 3.48 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 30 G 10.46 4.94 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 31 W 7.74 5.20 0.00 3.14 3.12 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.71 4.52 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 0.00 33 G 7.81 4.95 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 K 6.59 4.57 0.00 2.11 1.81 0.00 1.21 0.00 0.00 1.99 0.00 0.00 2.99 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.29 1.64 7.81 35 G 9.35 4.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 T 7.96 4.26 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 1.15 0.00 0.00 37 P 0.00 4.64 0.00 1.95 2.03 0.00 3.47 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 1.60 1.80 0.00 38 K 9.06 3.80 0.00 0.79 0.74 0.00 1.65 0.00 0.00 1.48 0.00 0.00 2.83 0.00 0.00 2.77 0.00 0.00 0.00 0.00 0.91 0.21 7.81 39 D 7.30 4.42 0.00 2.85 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 40 A 8.44 4.02 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 T 8.07 4.00 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 0.88 0.00 0.00 42 D 8.94 4.61 0.00 2.96 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 43 R 8.21 3.95 0.00 2.11 1.97 0.00 3.13 0.00 0.00 3.09 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.85 0.00 44 C 8.40 4.24 0.00 3.35 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 45 C 8.41 4.33 0.00 3.45 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 46 F 8.51 3.61 0.00 2.61 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 47 V 8.06 3.41 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 0.78 0.00 0.00 1.05 0.00 0.00 48 H 8.27 3.86 0.00 3.12 3.28 0.00 5.64 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 D 8.19 4.15 0.00 2.63 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 50 C 7.89 4.12 0.00 2.89 2.93 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 51 C 8.07 4.10 0.00 2.92 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 52 Y 7.99 4.40 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 53 G 8.19 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 54 N 8.01 4.55 0.00 2.82 2.85 0.00 0.00 6.79 7.90 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 55 L 7.52 4.82 0.00 1.59 1.52 0.87 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 56 P 0.00 4.20 0.00 2.19 2.28 0.00 3.77 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 1.96 0.00 *59 D 7.88 4.97 0.00 2.76 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 *61 C 7.65 5.27 0.00 3.00 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 *67 N 7.94 4.92 0.00 2.73 2.77 0.00 0.00 7.62 8.03 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 68 P 0.00 4.02 0.00 1.14 0.64 0.00 3.33 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 1.40 0.00 69 K 8.09 4.11 0.00 1.83 1.91 0.00 1.67 0.00 0.00 1.96 0.00 0.00 3.02 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.62 1.44 7.81 70 S 7.82 4.55 0.00 3.94 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 D 8.13 4.46 0.00 2.69 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 72 R 8.51 4.32 0.00 1.80 1.75 0.00 3.19 0.00 0.00 3.23 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.57 0.00 73 Y 7.74 4.85 0.00 3.11 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 74 K 8.51 4.95 0.00 1.84 1.94 0.00 1.57 0.00 0.00 1.88 0.00 0.00 2.96 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.45 1.46 7.81 75 Y 8.31 5.52 0.00 3.15 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 76 K 9.33 4.65 0.00 1.78 1.88 0.00 1.28 0.00 0.00 1.85 0.00 0.00 2.86 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.51 1.43 7.81 77 R 8.53 5.02 0.00 1.71 2.13 0.00 3.47 0.00 0.00 3.42 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.61 0.00 78 V 8.84 4.19 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 1.01 0.00 0.00 0.96 0.00 0.00 79 N 8.12 4.27 0.00 2.93 1.96 0.00 0.00 7.13 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 G 8.96 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 0.00 0.00 0.00 81 A 7.84 4.08 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 82 I 8.23 4.69 1.85 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 1.20 0.57 0.80 0.00 0.00 83 V 8.94 4.35 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 1.09 0.00 0.00 0.96 0.00 0.00 84 C 8.90 4.82 0.00 2.97 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 85 E 9.00 4.67 0.00 2.05 1.91 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 2.33 2.47 0.00 86 K 8.47 4.16 0.00 1.80 1.70 0.00 1.75 0.00 0.00 1.83 0.00 0.00 2.89 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.51 1.44 7.81 *88 G 8.26 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 0.00 0.00 0.00 0.00 89 T 8.76 4.21 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 90 S 8.53 4.07 0.00 4.05 4.16 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 91 C 8.17 4.19 0.00 2.97 3.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 E 8.25 4.01 0.00 2.29 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 2.54 2.58 0.00 93 N 8.35 4.27 0.00 2.85 2.83 0.00 0.00 7.08 8.11 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 94 R 8.03 3.87 0.00 1.81 1.91 0.00 3.10 0.00 0.00 3.13 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.73 0.00 95 I 8.06 3.62 2.04 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 1.17 0.59 0.93 0.00 0.00 96 C 8.08 2.82 0.00 2.15 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 97 E 7.93 3.79 0.00 2.05 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 2.43 2.41 0.00 98 C 7.99 4.14 0.00 3.16 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 99 D 7.90 3.71 0.00 2.62 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 0.00 100 K 8.20 3.68 0.00 1.60 1.87 0.00 1.57 0.00 0.00 1.72 0.00 0.00 2.89 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.35 1.38 7.81 101 A 7.85 3.85 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 0.00 102 A 7.68 3.45 1.01 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 0.00 103 A 8.06 3.84 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 I 7.77 3.63 1.93 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.74 0.88 0.00 0.00 105 C 8.24 4.19 0.00 2.88 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 0.00 106 F 8.20 4.62 0.00 3.00 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 0.00 107 R 8.16 3.96 0.00 1.97 2.12 0.00 3.17 0.00 0.00 3.33 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.71 0.00 108 Q 8.42 4.14 0.00 2.18 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.93 0.00 0.00 0.00 0.00 0.00 2.39 2.42 0.00 109 N 7.71 5.07 0.00 3.03 2.87 0.00 0.00 6.83 6.36 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 0.00 110 L 7.89 4.21 0.00 1.76 1.75 0.93 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 111 N 8.36 4.42 0.00 2.87 3.00 0.00 0.00 5.82 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 0.00 112 T 7.75 4.57 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 1.27 0.00 0.00 113 Y 7.78 4.12 0.00 2.99 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 0.00 114 S 8.80 4.59 0.00 3.83 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 0.00 115 K 8.88 4.05 0.00 1.88 1.88 0.00 1.77 0.00 0.00 1.90 0.00 0.00 3.01 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.69 1.63 7.81 116 K 7.80 3.90 0.00 1.61 1.71 0.00 1.15 0.00 0.00 1.40 0.00 0.00 2.46 0.00 0.00 2.22 0.00 0.00 0.00 0.00 0.57 0.26 7.81 117 Y 7.53 4.47 0.00 1.71 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 0.00 0.00 0.00 118 M 7.60 4.45 0.00 2.08 2.15 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.79 2.69 0.00 119 L 8.60 3.69 0.00 1.81 1.76 0.93 0.69 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 0.00 120 Y 8.14 4.18 0.00 3.04 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 0.00 121 P 0.00 4.46 0.00 2.50 2.19 0.00 2.75 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.87 0.00 122 D 8.98 4.26 0.00 2.78 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 *124 F 7.83 4.73 0.00 3.24 3.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 L 6.79 3.79 0.00 1.02 1.47 0.39 0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 126 C 8.12 4.89 0.00 3.01 3.20 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.47 4.68 0.00 1.77 1.67 0.00 1.63 0.00 0.00 1.84 0.00 0.00 2.87 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.42 1.37 7.81 128 G 8.91 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 0.00 0.00 0.00 0.00 129 E 8.37 4.79 0.00 2.01 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.26 0.00 130 L 8.49 4.69 0.00 1.57 1.52 0.51 0.15 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 0.00 131 K 8.42 4.19 0.00 1.90 1.75 0.00 1.76 0.00 0.00 1.83 0.00 0.00 2.93 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.56 1.49 7.81 *133 C 8.55 4.95 0.00 2.95 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 * Residues marked with a * may have inaccurate shift predictions.