NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 K 4.2566 8.4145 122.1404 53.7080 34.2127 175.7309 4 S 4.7647 7.9697 112.0243 56.5837 66.0076 175.7816 *5 H 5.0235 8.4370 113.1742 55.0974 29.8811 172.8606 6 G 3.8928 7.9673 112.7683 46.3780 0.0000 174.7892 *7 Y 4.2186 8.4441 118.7315 58.3596 36.8856 176.7797 8 R 4.6147 7.3597 117.7198 57.8156 31.8958 181.2733 9 S 3.9071 8.0738 116.2299 58.2707 64.0045 182.2015 10 R 4.1422 9.0487 120.2879 58.4490 28.3966 179.2291 11 T 4.1155 8.3899 110.1450 63.9249 68.5979 182.5325 12 R 3.9880 7.4713 120.1048 60.2669 29.4726 182.9771 *13 Y 4.5310 7.6514 115.5994 58.1305 38.9222 179.9373 14 M 4.0519 7.5666 119.0559 58.3377 31.7108 182.9105 *15 F 4.4530 8.0814 120.6356 56.8436 38.3954 180.0659 16 Q 4.4263 9.6544 123.8132 56.6461 27.7767 178.9668 17 R 4.6059 8.4886 115.0053 58.7341 34.4483 171.1542 18 D 4.5588 8.8529 126.6327 53.2816 38.1650 171.0092 *19 F 4.9787 8.5626 124.0446 58.9026 35.4071 175.9476 20 R 4.6987 7.4486 117.8852 57.5617 35.3686 178.8198 21 K 4.4277 8.0399 122.1748 55.4942 29.9013 179.8374 *22 H 4.8557 7.7483 112.7351 53.8406 28.6543 177.3030 23 G 3.9319 8.0170 106.8214 47.1694 0.0000 170.3644 24 A 3.7811 9.0691 133.6738 51.8981 18.2389 179.2188 25 V 3.5900 8.4279 122.8610 61.4606 32.3504 172.5906 *26 H 4.1542 8.9704 123.9027 54.5372 27.6119 173.8678 27 L 4.2919 8.6838 130.2446 57.6906 40.8440 175.9925 28 S 4.6223 7.9593 121.4713 65.0406 62.5714 181.8789 29 T 4.2582 7.7197 119.4783 65.9599 68.2852 177.2971 *30 Y 4.6779 7.6819 121.4400 60.1774 38.5356 183.8229 31 L 4.6311 8.7770 121.3078 52.8934 40.3721 184.4417 32 K 3.5780 8.9282 116.8822 57.4543 29.6533 174.9419 33 V 4.5952 8.0655 121.4863 58.9300 34.8907 174.3270 *34 Y 4.5537 7.9440 127.6222 55.1859 36.1231 177.0892 35 K 4.1209 9.2625 132.4627 55.4540 32.7998 176.1561 36 V 3.8143 8.2473 123.4963 61.4255 31.6832 173.8418 37 G 4.1048 8.4918 108.8155 47.0694 0.0000 174.1171 38 D 4.5585 8.0698 123.3502 54.3605 41.1980 180.8840 39 I 4.1102 8.4661 125.3319 60.5867 36.1269 175.5111 40 V 4.4009 8.4651 129.3026 60.1592 33.9131 172.3217 41 D 5.0103 9.2103 122.8714 53.1170 42.4503 176.4891 42 I 3.6293 7.7671 126.0300 60.7482 36.5924 174.5331 43 K 4.8676 7.4923 120.8099 55.5838 34.5687 175.4701 44 A 4.0768 8.5368 131.3217 52.6495 19.3876 178.8367 45 N 4.8285 8.4199 117.8723 50.7777 39.3601 176.6856 46 G 4.0318 8.5331 117.2343 48.4424 0.0000 173.6638 47 S 4.1194 8.2101 118.1534 62.1757 62.4914 181.8781 48 I 4.0452 7.7237 120.8669 62.5395 35.9666 177.7513 49 Q 5.4820 7.6724 117.0852 58.3944 30.7692 170.2593 50 K 4.5296 7.3997 122.2101 56.5503 34.0906 182.3614 51 G 4.0218 8.2138 110.7256 45.9633 0.0000 172.7831 52 M 4.6104 8.4195 121.4240 52.3421 33.1025 177.1720 53 P 4.6618 0.0000 0.0000 60.2290 31.4130 170.7731 *54 H 4.2198 8.5724 129.5611 53.8839 28.6115 172.1016 55 K 4.0412 9.8042 132.4787 55.1475 31.1194 181.1034 *56 F 4.0250 8.9159 118.4625 61.2014 38.6449 179.9526 *57 Y 4.2196 7.9529 116.6250 57.9282 36.3074 178.4607 58 Q 4.2128 8.4800 120.2425 56.4177 28.6871 181.3402 59 G 3.8144 8.8515 105.5731 48.3399 0.0000 174.6577 60 K 4.1325 8.6252 124.6499 55.1146 32.2047 181.5447 61 T 4.6034 8.4493 118.8676 59.4934 69.6461 171.1408 62 G 4.0750 8.9599 118.0421 45.0821 0.0000 172.6717 63 V 4.6803 8.4688 123.6261 61.2912 35.8494 172.3779 64 V 3.6759 7.7409 126.7098 60.5322 29.8651 172.3096 *65 Y 4.6953 8.7576 128.4946 52.3583 37.1150 174.0361 66 N 5.0177 9.1252 135.0000 54.7176 38.3775 178.6434 67 V 3.2587 7.1135 112.9680 63.4221 28.1893 177.1603 68 T 4.4070 8.0478 130.4149 61.4145 68.4094 178.5753 69 K 4.0783 8.0360 128.2419 58.4548 32.5765 179.6091 70 S 4.4114 7.9218 117.2265 60.6554 60.4815 180.0323 71 S 3.8443 8.3513 129.5327 60.3567 61.2996 172.9455 72 V 3.8424 7.7058 122.5227 60.4227 31.1995 178.9163 73 G 3.9965 8.3927 118.4895 46.6338 0.0000 172.1575 74 V 4.3784 8.5831 123.7384 60.9716 32.4577 174.3374 75 I 5.0614 8.4347 122.5467 62.6424 41.2163 175.4653 76 I 4.3969 10.1895 122.6971 63.5410 32.2121 173.0837 77 N 5.1167 9.0691 118.3710 54.8855 35.6112 173.9420 78 K 4.2472 8.3913 120.6984 58.6386 38.4467 171.0451 79 M 3.8991 8.0936 115.7018 54.4830 31.2908 179.0464 80 V 4.1673 8.7132 113.8335 62.0661 35.8260 175.5715 81 G 3.5181 9.9138 112.2963 47.6750 0.0000 171.8574 82 N 4.5588 8.7030 125.8301 52.2352 36.3082 175.5195 83 R 4.8444 7.6133 118.4493 55.1852 33.2547 177.7640 *84 Y 4.2979 8.2296 113.2145 60.0310 37.9103 173.2714 85 L 3.7769 7.0918 119.3013 53.9050 37.7904 179.9935 86 E 4.6009 8.6817 126.7452 55.7026 30.4021 173.8954 87 K 4.7368 8.8110 130.8860 53.2014 34.9349 172.3874 88 R 5.0118 8.6344 124.1854 55.5590 32.9601 176.1615 89 L 4.7069 8.3783 125.9289 53.3804 45.0509 175.1134 90 N 5.4887 9.0046 126.2556 51.3020 37.3593 172.2018 91 L 4.5655 8.2269 131.1418 54.0699 43.9713 174.4278 92 R 5.0784 8.3373 117.0334 57.0456 32.9695 174.5007 93 V 3.6164 8.7009 120.6553 64.0569 31.6974 178.5683 94 E 4.4033 8.1871 114.2073 58.1827 29.9634 182.5875 *95 H 4.5966 8.4373 116.0405 57.3540 28.9895 181.6861 96 I 4.5123 7.5725 120.0644 61.0688 36.6911 178.7617 97 K 4.7411 8.5365 124.2345 54.8726 36.6277 179.7901 *98 H 4.7610 9.1531 119.0149 56.8195 29.0531 181.0335 99 S 4.7472 7.9806 115.6889 60.6046 67.5145 178.0036 100 K 4.7212 7.8510 118.1566 57.1324 32.8980 173.9101 101 C 4.6805 8.2623 116.4489 59.8450 27.6678 177.6698 102 R 4.5072 7.6451 120.6935 58.5237 28.6726 182.5285 103 Q 4.6653 8.2990 124.0880 58.6966 29.3600 179.2515 104 E 4.0742 8.2931 120.1124 62.2977 29.6682 185.0000 *105 F 4.3071 8.2787 121.2828 62.5225 38.0049 182.1818 106 L 4.6674 8.7079 123.6921 57.9819 41.1573 181.9270 107 E 4.2385 8.1107 119.1625 63.3867 29.6800 184.5789 108 R 4.0252 8.6973 122.4361 62.1522 29.2593 182.0002 109 V 3.8397 8.3919 120.4242 65.1045 32.3144 181.3196 110 K 4.1537 9.1297 121.9215 59.3052 31.2014 181.3943 111 A 4.0487 5.8000 123.2027 56.1073 19.4951 179.9680 112 N 4.2405 8.5456 117.2756 57.7316 37.5864 179.2708 113 A 4.1766 8.2745 122.6003 54.5043 18.2374 179.1735 114 A 4.1720 7.8719 120.7575 54.7616 19.1328 180.2132 115 K 4.1861 8.1715 125.0011 60.5144 32.1289 183.9812 116 R 4.1478 8.2420 121.7400 60.6083 29.0749 180.1950 117 A 4.4224 7.8582 121.2338 56.1598 18.5298 179.4236 118 E 4.0590 8.2092 116.2072 61.6053 29.7944 181.6447 119 A 4.3854 8.0341 123.7878 55.5231 18.5902 180.1656 120 K 4.0821 7.6631 120.8216 59.8295 31.9414 179.9066 121 A 4.3620 8.5729 127.5311 52.1900 18.2808 177.0278 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 K 8.41 4.26 0.00 1.79 1.80 0.00 1.71 0.00 0.00 1.70 0.00 0.00 2.91 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.26 1.01 7.81 4 S 7.97 4.76 0.00 3.66 3.63 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 *5 H 8.44 5.02 0.00 2.87 2.88 0.00 7.17 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 G 7.97 3.89 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 0.00 0.00 0.00 *7 Y 8.44 4.22 0.00 2.35 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 0.00 0.00 0.00 0.00 8 R 7.36 4.61 0.00 1.78 1.80 0.00 3.27 0.00 0.00 3.26 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.14 0.00 9 S 8.07 3.91 0.00 3.68 3.73 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 10 R 9.05 4.14 0.00 1.87 2.01 0.00 3.22 0.00 0.00 3.37 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.17 0.00 11 T 8.39 4.12 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 1.21 0.00 0.00 12 R 7.47 3.99 0.00 1.85 1.92 0.00 3.18 0.00 0.00 3.26 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.50 0.00 *13 Y 7.65 4.53 0.00 2.32 2.18 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 14 M 7.57 4.05 0.00 1.93 1.94 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.11 0.00 *15 F 8.08 4.45 0.00 2.29 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 0.00 0.00 0.00 0.00 16 Q 9.65 4.43 0.00 2.07 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.52 0.00 0.00 0.00 0.00 0.00 2.31 2.19 0.00 17 R 8.49 4.61 0.00 1.77 1.68 0.00 3.34 0.00 0.00 3.26 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.19 0.00 18 D 8.85 4.56 0.00 2.86 1.81 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 *19 F 8.56 4.98 0.00 2.39 2.37 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 20 R 7.45 4.70 0.00 1.76 1.78 0.00 3.24 0.00 0.00 3.26 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.19 0.00 21 K 8.04 4.43 0.00 1.77 1.69 0.00 1.76 0.00 0.00 1.74 0.00 0.00 2.75 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.36 1.00 7.81 *22 H 7.75 4.86 0.00 2.92 2.95 0.00 7.24 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 G 8.02 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 0.00 0.00 0.00 24 A 9.07 3.78 1.38 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 0.00 0.00 25 V 8.43 3.59 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 0.74 0.00 0.00 0.93 0.00 0.00 *26 H 8.97 4.15 0.00 2.83 3.03 0.00 7.16 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 L 8.68 4.29 0.00 1.74 1.60 0.92 0.85 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 28 S 7.96 4.62 0.00 3.73 3.88 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 29 T 7.72 4.26 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 1.21 0.00 0.00 *30 Y 7.68 4.68 0.00 2.39 2.22 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 31 L 8.78 4.63 0.00 1.62 0.56 0.92 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 32 K 8.93 3.58 0.00 1.84 1.62 0.00 1.74 0.00 0.00 1.74 0.00 0.00 2.94 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.28 0.98 7.81 33 V 8.07 4.60 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 0.89 0.00 0.00 0.93 0.00 0.00 *34 Y 7.94 4.55 0.00 2.33 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 35 K 9.26 4.12 0.00 1.77 1.92 0.00 1.78 0.00 0.00 1.85 0.00 0.00 2.86 0.00 0.00 2.62 0.00 0.00 0.00 0.00 1.23 0.73 7.81 36 V 8.25 3.81 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 0.88 0.00 0.00 0.93 0.00 0.00 37 G 8.49 4.10 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 38 D 8.07 4.56 0.00 2.38 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 39 I 8.47 4.11 1.87 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 1.20 1.10 0.91 0.00 0.00 40 V 8.47 4.40 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 0.63 0.00 0.00 0.93 0.00 0.00 41 D 9.21 5.01 0.00 2.26 2.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 I 7.77 3.63 1.87 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 1.09 1.09 0.91 0.00 0.00 43 K 7.49 4.87 0.00 1.56 1.62 0.00 1.78 0.00 0.00 1.71 0.00 0.00 2.90 0.00 0.00 2.53 0.00 0.00 0.00 0.00 1.14 1.06 7.81 44 A 8.54 4.08 1.25 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 0.00 0.00 0.00 45 N 8.42 4.83 0.00 2.74 2.67 0.00 0.00 7.05 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 G 8.53 4.03 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 0.00 0.00 0.00 47 S 8.21 4.12 0.00 3.64 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 48 I 7.72 4.05 1.87 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 1.16 1.10 0.91 0.00 0.00 49 Q 7.67 5.48 0.00 2.07 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.82 6.80 0.00 0.00 0.00 0.00 0.00 2.03 1.69 0.00 50 K 7.40 4.53 0.00 1.61 1.75 0.00 1.76 0.00 0.00 1.82 0.00 0.00 3.05 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.33 0.97 7.81 51 G 8.21 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 0.00 0.00 0.00 52 M 8.42 4.61 0.00 1.98 1.85 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.32 0.00 53 P 0.00 4.66 0.00 1.98 1.99 0.00 3.73 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.56 0.00 *54 H 8.57 4.22 0.00 2.92 2.98 0.00 7.19 0.00 0.00 0.00 0.00 5.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 K 9.80 4.04 0.00 1.68 1.88 0.00 1.80 0.00 0.00 1.68 0.00 0.00 2.90 0.00 0.00 2.71 0.00 0.00 0.00 0.00 1.23 1.22 7.81 *56 F 8.92 4.03 0.00 2.29 2.26 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 *57 Y 7.95 4.22 0.00 2.32 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 0.00 0.00 0.00 0.00 58 Q 8.48 4.21 0.00 1.92 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 5.82 0.00 0.00 0.00 0.00 0.00 2.29 2.18 0.00 59 G 8.85 3.81 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 0.00 0.00 0.00 60 K 8.63 4.13 0.00 1.66 1.71 0.00 1.80 0.00 0.00 1.68 0.00 0.00 2.99 0.00 0.00 2.66 0.00 0.00 0.00 0.00 1.37 1.25 7.81 61 T 8.45 4.60 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 1.21 0.00 0.00 62 G 8.96 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 63 V 8.47 4.68 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 0.74 0.00 0.00 0.93 0.00 0.00 64 V 7.74 3.68 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 0.82 0.00 0.00 0.93 0.00 0.00 *65 Y 8.76 4.70 0.00 2.28 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 0.00 0.00 0.00 0.00 66 N 9.13 5.02 0.00 2.81 2.79 0.00 0.00 7.05 7.67 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 67 V 7.11 3.26 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 0.84 0.00 0.00 0.93 0.00 0.00 68 T 8.05 4.41 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 1.21 0.00 0.00 69 K 8.04 4.08 0.00 1.77 1.78 0.00 1.79 0.00 0.00 1.74 0.00 0.00 2.96 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.37 1.06 7.81 70 S 7.92 4.41 0.00 3.62 3.74 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 71 S 8.35 3.84 0.00 3.80 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 72 V 7.71 3.84 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 0.86 0.00 0.00 0.93 0.00 0.00 73 G 8.39 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 74 V 8.58 4.38 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 0.73 0.00 0.00 0.93 0.00 0.00 75 I 8.43 5.06 1.87 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 1.27 1.27 0.91 0.00 0.00 76 I 10.19 4.40 1.87 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 1.27 1.32 0.91 0.00 0.00 77 N 9.07 5.12 0.00 2.87 2.98 0.00 0.00 6.77 7.44 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 78 K 8.39 4.25 0.00 1.70 1.65 0.00 1.75 0.00 0.00 1.74 0.00 0.00 2.76 0.00 0.00 2.60 0.00 0.00 0.00 0.00 1.16 0.89 7.81 79 M 8.09 3.90 0.00 2.10 2.21 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 1.89 0.00 80 V 8.71 4.17 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 0.76 0.00 0.00 0.93 0.00 0.00 81 G 9.91 3.52 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 82 N 8.70 4.56 0.00 2.94 2.83 0.00 0.00 6.42 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 83 R 7.61 4.84 0.00 1.78 1.74 0.00 3.19 0.00 0.00 3.26 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.14 0.00 *84 Y 8.23 4.30 0.00 2.20 2.26 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 85 L 7.09 3.78 0.00 1.63 1.86 0.92 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 86 E 8.68 4.60 0.00 1.75 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 2.21 1.88 0.00 87 K 8.81 4.74 0.00 1.42 1.68 0.00 1.70 0.00 0.00 1.85 0.00 0.00 2.78 0.00 0.00 2.67 0.00 0.00 0.00 0.00 1.35 0.98 7.81 88 R 8.63 5.01 0.00 1.55 1.68 0.00 3.17 0.00 0.00 3.26 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.16 0.00 89 L 8.38 4.71 0.00 1.27 1.50 0.92 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 90 N 9.00 5.49 0.00 2.50 2.68 0.00 0.00 6.91 7.79 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 91 L 8.23 4.57 0.00 1.33 1.61 0.92 0.81 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 92 R 8.34 5.08 0.00 1.45 1.76 0.00 3.24 0.00 0.00 3.37 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.16 0.00 93 V 8.70 3.62 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 0.82 0.00 0.00 0.93 0.00 0.00 94 E 8.19 4.40 0.00 1.98 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 2.18 1.86 0.00 *95 H 8.44 4.60 0.00 2.82 3.08 0.00 7.17 0.00 0.00 0.00 0.00 6.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 I 7.57 4.51 1.87 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 1.20 1.10 0.91 0.00 0.00 97 K 8.54 4.74 0.00 1.41 1.62 0.00 1.80 0.00 0.00 1.68 0.00 0.00 2.78 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.27 1.27 7.81 *98 H 9.15 4.76 0.00 2.69 2.06 0.00 7.29 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 S 7.98 4.75 0.00 3.66 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 0.00 100 K 7.85 4.72 0.00 1.62 1.74 0.00 1.75 0.00 0.00 1.85 0.00 0.00 3.10 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.32 0.95 7.81 101 C 8.26 4.68 0.00 2.75 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 0.00 102 R 7.65 4.51 0.00 1.81 1.83 0.00 3.20 0.00 0.00 3.26 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.44 0.00 103 Q 8.30 4.67 0.00 2.03 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.02 6.76 0.00 0.00 0.00 0.00 0.00 2.20 2.21 0.00 104 E 8.29 4.07 0.00 1.97 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 2.32 1.95 0.00 *105 F 8.28 4.31 0.00 2.28 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 0.00 106 L 8.71 4.67 0.00 1.60 1.69 0.92 0.87 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 0.00 107 E 8.11 4.24 0.00 1.96 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 2.32 1.95 0.00 108 R 8.70 4.03 0.00 1.80 1.89 0.00 3.27 0.00 0.00 3.20 8.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.55 0.00 109 V 8.39 3.84 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 0.70 0.00 0.00 0.93 0.00 0.00 110 K 9.13 4.15 0.00 1.73 1.59 0.00 1.81 0.00 0.00 1.65 0.00 0.00 2.97 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.38 1.35 7.81 111 A 5.80 4.05 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 0.00 112 N 8.55 4.24 0.00 2.75 2.82 0.00 0.00 7.05 6.84 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 0.00 113 A 8.27 4.18 1.38 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 0.00 0.00 114 A 7.87 4.17 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 0.00 115 K 8.17 4.19 0.00 1.79 1.82 0.00 1.83 0.00 0.00 1.68 0.00 0.00 2.89 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.37 1.32 7.81 116 R 8.24 4.15 0.00 1.80 1.98 0.00 3.23 0.00 0.00 3.17 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.53 0.00 117 A 7.86 4.42 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 0.00 118 E 8.21 4.06 0.00 2.07 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 2.27 2.21 0.00 119 A 8.03 4.39 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 0.00 120 K 7.66 4.08 0.00 1.90 1.74 0.00 1.82 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.39 1.33 7.81 121 A 8.57 4.36 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 * Residues marked with a * may have inaccurate shift predictions.