NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.4633 8.3193 115.4126 58.3686 64.1757 172.4780 2 K 4.0354 8.5179 117.5147 58.5453 33.4400 176.2124 3 Q 4.1099 8.7193 121.8936 54.9812 30.6795 176.2245 4 P 4.2457 0.0000 0.0000 65.8081 31.4061 178.3709 5 D 4.3522 8.0727 116.9192 57.5776 40.8194 178.9168 6 K 3.9325 8.0475 118.1976 59.5059 32.0825 179.2438 7 Q 3.9712 7.9009 117.8961 59.2369 28.6753 179.0472 8 R 3.9613 8.2281 119.1274 59.1240 29.9866 179.0003 9 K 3.9333 8.2819 119.9972 59.4891 32.1188 178.9570 10 S 4.1238 8.5824 114.2817 61.3867 62.3938 176.4212 11 Q 4.1163 7.8973 121.2590 59.0422 28.5028 178.5382 12 R 4.0587 8.0870 117.5023 58.1406 30.0388 177.6905 13 R 4.5755 7.7922 116.6843 55.5465 30.7701 175.8881 14 A 4.1864 7.4882 120.3852 51.1420 19.1749 177.0836 15 P 4.4846 0.0000 0.0000 62.1417 32.4944 177.3998 16 L 3.9359 8.8423 121.1112 58.7103 41.3008 179.8502 17 H 4.3470 8.3572 112.3907 58.3796 28.4360 176.2298 18 E 4.1729 7.7274 118.8386 56.9323 29.8370 177.6593 19 R 4.2455 8.0765 118.9011 57.3359 30.4854 177.9522 20 H 4.1368 8.0335 116.7139 58.6554 28.8540 177.1364 21 K 4.1993 7.9854 115.9143 58.5375 32.5934 177.1752 22 Q 4.4330 8.1215 118.5100 56.3887 29.0723 176.0259 23 V 4.5357 7.8169 111.2736 61.0231 33.7391 175.2364 24 R 4.7476 8.1123 119.1872 55.7582 30.9965 175.7365 25 A 4.8408 9.0205 124.0939 50.0249 23.1027 175.4702 26 T 4.4179 8.3899 113.8051 62.2083 68.8887 173.8567 27 L 4.8735 8.5112 127.4486 53.4240 43.9846 176.2644 28 S 4.4843 8.1729 114.5475 57.8994 64.6240 175.3739 29 A 3.9670 8.6874 120.5291 55.5480 18.0409 179.0034 30 D 4.3021 8.1534 116.8466 57.8098 40.9545 178.8178 31 L 4.2065 7.9130 118.4696 58.2560 41.6544 179.9726 32 R 4.4878 7.9833 118.9754 58.6205 29.7385 178.7730 33 E 3.8798 7.7251 117.8160 59.4278 29.8800 178.3533 34 E 3.8964 8.4885 118.1126 58.4094 29.6857 176.6233 35 Y 4.5534 7.7968 113.3888 56.5632 39.7275 175.8084 36 G 3.9371 8.5403 107.8365 46.6213 0.0000 173.3917 37 Q 4.6977 7.8688 116.4361 53.8437 32.8365 175.9353 38 R 4.3561 8.4171 118.1812 57.2751 31.4304 174.7401 39 N 5.1521 7.3103 112.5551 53.5250 40.1918 173.7573 40 V 4.7883 8.1601 115.0686 61.8215 35.1448 171.9737 41 R 4.3399 8.7399 122.8253 56.1484 30.0251 176.0029 42 V 3.7130 7.9159 126.2875 63.8401 31.9329 175.1277 43 N 4.9609 10.6121 124.9594 51.2522 40.7197 176.2109 44 A 4.4629 8.0684 120.3866 52.3708 17.8010 178.5385 45 G 4.2418 8.5739 106.1930 46.3816 0.0000 174.0233 46 D 4.8652 8.1227 119.7540 54.9836 42.3426 175.4809 47 T 5.0455 9.1384 117.6638 62.2919 71.3347 173.9751 48 V 5.0554 8.7653 123.5474 61.4115 36.0915 173.1786 49 E 5.1210 9.0476 122.3380 54.3205 32.5139 175.1232 50 V 4.1475 9.0364 124.4362 62.8369 32.4347 175.9785 51 L 4.7845 9.1175 127.0146 54.9495 42.1507 177.1953 52 R 4.6184 8.0463 114.4744 56.9474 35.4553 176.9312 53 G 4.1458 7.9905 104.8633 45.7194 0.0000 172.5089 54 D 4.5218 8.8832 118.7618 55.3061 41.0779 176.8316 55 F 4.5285 8.0901 117.2990 56.7350 39.3565 174.6820 56 A 4.2990 7.8999 124.4390 54.8767 18.0736 178.0407 57 G 4.2661 9.4070 112.9211 45.3264 0.0000 172.7014 58 E 4.8310 8.2750 118.1285 54.2811 32.9272 174.9910 59 E 5.5846 7.9017 122.1725 54.4953 32.6938 175.0386 60 G 3.9679 7.9585 107.2606 46.1959 0.0000 171.1823 61 E 4.8541 8.1270 120.6521 54.5197 31.0214 175.1719 62 V 4.1099 8.5766 127.2721 63.6674 31.7945 176.2300 63 I 4.1702 8.9118 130.1246 63.0157 38.1169 175.8584 64 N 4.8618 7.7882 118.8723 52.3444 42.5099 173.7335 65 V 4.6328 8.1892 123.5805 61.3334 33.9990 173.7544 66 D 4.6590 8.8807 129.1159 52.7031 41.3556 177.1998 67 L 4.0336 8.5998 127.2980 57.6340 42.2567 179.2406 68 D 4.2918 8.4176 117.3928 57.1612 41.1465 177.0056 69 K 4.1613 8.2013 114.5068 55.4028 32.9880 176.2574 70 A 3.7657 7.3043 120.1815 53.0066 16.3755 175.5776 71 V 4.8420 7.9717 121.2152 61.0908 36.5835 174.5156 72 I 5.2194 8.6194 115.6341 59.3975 41.6144 173.7331 73 H 5.0425 9.3336 120.5157 54.0552 31.3304 173.3057 74 V 4.7245 8.0955 122.7385 60.3791 34.5285 174.2801 75 E 3.8897 8.8186 128.1670 58.2891 29.6139 176.7018 76 D 4.5685 8.9456 123.9119 54.6611 38.7758 174.1581 77 V 3.4728 7.7753 125.5881 63.1663 32.6279 176.4953 *78 T 4.3257 8.0085 112.5645 60.4544 70.4204 173.9787 79 L 4.7030 8.2847 123.1765 53.2748 43.6784 174.8985 80 E 4.9416 8.3437 121.0217 54.0865 30.8615 176.0573 81 K 4.2521 9.0758 126.4556 56.4241 32.9781 178.4090 82 T 3.8490 8.5946 117.5362 67.0500 68.2741 175.7518 83 D 4.4458 7.9582 117.2725 54.2614 39.5155 175.5848 84 G 4.1048 8.3982 108.4298 45.6670 0.0000 174.1408 85 E 3.9536 8.2065 119.9856 56.8695 30.8394 175.7452 86 E 4.9840 8.7382 126.3239 54.8518 31.0967 175.2140 87 V 4.6770 8.4543 120.3138 58.6080 35.4104 173.3143 88 P 4.7612 0.0000 0.0000 62.7357 32.3261 175.6259 89 R 4.3186 7.9914 124.2822 54.1821 30.6172 174.2217 90 P 4.4436 0.0000 0.0000 62.9635 32.0830 175.8983 91 L 4.7910 8.7423 123.5175 52.8765 45.3943 174.8334 92 D 5.0889 8.4283 121.5846 53.2069 42.3351 177.4100 93 T 4.0363 8.8271 116.0950 64.4790 68.8096 175.9872 94 S 4.1150 8.6086 116.5701 60.7062 62.6654 174.0782 95 N 4.9560 8.5709 116.9507 52.8289 39.4037 174.5043 96 V 4.9453 7.8427 118.2773 61.0823 35.2760 174.7490 97 R 4.8185 8.5464 123.7553 54.3810 33.0363 174.3052 98 V 4.3386 8.7383 127.1882 63.2567 32.2601 176.1157 99 T 4.6411 8.6052 116.7116 61.5739 70.5062 173.7219 100 D 4.5141 7.7494 120.5295 53.6238 44.5317 174.1797 101 L 4.9555 8.6700 125.8363 53.6651 44.1751 175.8673 102 D 4.6804 9.3099 122.1936 52.5335 42.2946 176.3563 103 L 4.6184 8.0678 128.0781 54.3953 42.3728 178.8660 104 E 4.0620 8.6308 120.6675 58.3404 29.9722 176.7642 105 D 4.8827 7.5275 118.2277 52.2666 43.0605 176.6367 106 E 3.9815 8.9006 126.2980 59.5442 29.5196 179.3850 107 K 3.8980 8.2733 117.9557 59.5716 32.0334 179.0437 108 R 3.8002 7.8119 117.9599 59.3840 30.0155 177.8300 109 E 3.8565 8.0721 118.4589 59.5186 29.3546 178.8139 110 A 3.9964 8.2857 119.6600 55.0336 18.6918 179.3372 111 R 3.9683 8.0884 117.2308 59.5738 30.0164 178.5676 112 L 4.1186 8.3250 117.8446 58.0929 41.8053 179.1929 113 E 4.3699 8.4284 116.0628 57.1046 29.6916 177.2984 114 S 4.5373 7.3154 113.8979 57.8271 64.0670 173.4835 115 E 4.5813 8.4710 116.8578 57.0405 31.2089 176.9978 116 D 4.4387 8.1235 117.6358 55.4786 41.2943 174.8089 117 D 5.0205 7.2851 117.4820 52.2205 43.8872 174.1521 118 S 4.8221 9.2897 115.0185 56.8859 66.4720 174.0049 119 A 4.1902 8.8032 122.6887 52.4869 19.1028 176.0243 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 8.32 4.46 0.00 3.99 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 2 K 8.52 4.04 0.00 1.96 1.97 0.00 1.58 0.00 0.00 1.71 0.00 0.00 2.94 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.36 1.52 7.81 3 Q 8.72 4.11 0.00 2.15 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.80 0.00 0.00 0.00 0.00 0.00 2.38 2.40 0.00 4 P 0.00 4.25 0.00 2.15 2.11 0.00 3.61 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 2.11 2.19 0.00 5 D 8.07 4.35 0.00 2.76 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 6 K 8.05 3.93 0.00 1.79 1.86 0.00 1.67 0.00 0.00 1.82 0.00 0.00 2.95 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.53 1.54 7.81 7 Q 7.90 3.97 0.00 2.22 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.79 0.00 0.00 0.00 0.00 0.00 2.57 2.54 0.00 8 R 8.23 3.96 0.00 1.84 1.98 0.00 3.12 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 1.65 1.81 0.00 9 K 8.28 3.93 0.00 1.99 1.98 0.00 1.65 0.00 0.00 1.70 0.00 0.00 3.00 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.43 1.44 7.81 10 S 8.58 4.12 0.00 4.01 4.06 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 11 Q 7.90 4.12 0.00 2.32 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.83 0.00 0.00 0.00 0.00 0.00 2.37 2.48 0.00 12 R 8.09 4.06 0.00 2.01 1.99 0.00 3.11 0.00 0.00 3.22 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.67 0.00 13 R 7.79 4.58 0.00 1.76 1.90 0.00 3.16 0.00 0.00 3.23 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.69 0.00 14 A 7.49 4.19 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 15 P 0.00 4.48 0.00 2.29 2.04 0.00 3.61 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 2.16 2.13 0.00 16 L 8.84 3.94 0.00 1.70 1.74 0.92 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 17 H 8.36 4.35 0.00 3.37 3.45 0.00 5.52 0.00 0.00 0.00 0.00 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 E 7.73 4.17 0.00 1.98 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 2.20 1.93 0.00 19 R 8.08 4.25 0.00 1.90 1.89 0.00 3.10 0.00 0.00 3.41 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.81 0.00 20 H 8.03 4.14 0.00 3.18 3.34 0.00 5.62 0.00 0.00 0.00 0.00 6.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 K 7.99 4.20 0.00 1.86 1.93 0.00 1.55 0.00 0.00 1.69 0.00 0.00 2.95 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.57 1.45 7.81 22 Q 8.12 4.43 0.00 2.19 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 7.34 0.00 0.00 0.00 0.00 0.00 2.33 2.30 0.00 23 V 7.82 4.54 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 0.87 0.00 0.00 1.01 0.00 0.00 24 R 8.11 4.75 0.00 1.69 1.84 0.00 3.15 0.00 0.00 3.23 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.77 0.00 25 A 9.02 4.84 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 T 8.39 4.42 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 27 L 8.51 4.87 0.00 1.57 1.61 1.03 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 28 S 8.17 4.48 0.00 3.95 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 0.00 29 A 8.69 3.97 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 D 8.15 4.30 0.00 2.73 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 31 L 7.91 4.21 0.00 1.76 1.84 0.92 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 32 R 7.98 4.49 0.00 2.06 2.05 0.00 3.15 0.00 0.00 3.21 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.82 0.00 33 E 7.73 3.88 0.00 1.92 2.27 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 2.31 2.33 0.00 34 E 8.49 3.90 0.00 1.83 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.87 0.00 35 Y 7.80 4.55 0.00 3.07 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 36 G 8.54 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 0.00 0.00 0.00 37 Q 7.87 4.70 0.00 2.10 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.96 6.64 0.00 0.00 0.00 0.00 0.00 2.36 2.55 0.00 38 R 8.42 4.36 0.00 1.84 1.90 0.00 3.16 0.00 0.00 3.39 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.60 0.00 39 N 7.31 5.15 0.00 2.76 2.80 0.00 0.00 5.90 7.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 V 8.16 4.79 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 0.98 0.00 0.00 0.84 0.00 0.00 41 R 8.74 4.34 0.00 1.84 1.90 0.00 3.30 0.00 0.00 3.14 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.65 0.00 42 V 7.92 3.71 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 0.78 0.00 0.00 0.97 0.00 0.00 43 N 10.61 4.96 0.00 3.08 2.66 0.00 0.00 6.49 7.42 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 44 A 8.07 4.46 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 G 8.57 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 0.00 0.00 0.00 0.00 46 D 8.12 4.87 0.00 2.66 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 47 T 9.14 5.05 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 1.25 0.00 0.00 48 V 8.77 5.06 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 1.03 0.00 0.00 0.93 0.00 0.00 49 E 9.05 5.12 0.00 2.03 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 2.34 2.22 0.00 50 V 9.04 4.15 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 1.06 0.00 0.00 0.94 0.00 0.00 51 L 9.12 4.78 0.00 1.59 1.67 0.93 0.85 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 52 R 8.05 4.62 0.00 1.84 1.91 0.00 3.39 0.00 0.00 3.24 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.57 0.00 53 G 7.99 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 0.00 0.00 0.00 0.00 54 D 8.88 4.52 0.00 2.56 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 55 F 8.09 4.53 0.00 3.11 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 56 A 7.90 4.30 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 57 G 9.41 4.27 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 0.00 58 E 8.27 4.83 0.00 2.16 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 2.26 2.31 0.00 59 E 7.90 5.58 0.00 1.84 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 2.23 2.14 0.00 60 G 7.96 3.97 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 0.00 0.00 0.00 61 E 8.13 4.85 0.00 2.06 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 2.31 2.29 0.00 62 V 8.58 4.11 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 0.91 0.00 0.00 0.94 0.00 0.00 63 I 8.91 4.17 1.87 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 1.26 0.95 0.90 0.00 0.00 64 N 7.79 4.86 0.00 2.69 2.40 0.00 0.00 6.60 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 65 V 8.19 4.63 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 0.83 0.00 0.00 0.92 0.00 0.00 66 D 8.88 4.66 0.00 2.82 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 67 L 8.60 4.03 0.00 1.71 1.64 0.79 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 68 D 8.42 4.29 0.00 2.69 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 69 K 8.20 4.16 0.00 1.88 1.82 0.00 1.91 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.41 1.45 7.81 70 A 7.30 3.77 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 71 V 7.97 4.84 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 1.00 0.00 0.00 0.96 0.00 0.00 72 I 8.62 5.22 1.94 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.52 0.91 0.00 0.00 73 H 9.33 5.04 0.00 3.12 3.20 0.00 5.76 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 V 8.10 4.72 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 1.02 0.00 0.00 0.89 0.00 0.00 75 E 8.82 3.89 0.00 2.07 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 2.33 2.31 0.00 76 D 8.95 4.57 0.00 2.90 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 77 V 7.78 3.47 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 0.03 0.00 0.00 0.81 0.00 0.00 *78 T 8.01 4.33 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 79 L 8.28 4.70 0.00 1.68 1.64 0.95 0.81 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 80 E 8.34 4.94 0.00 1.92 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 2.20 2.46 0.00 81 K 9.08 4.25 0.00 2.05 1.75 0.00 1.73 0.00 0.00 1.65 0.00 0.00 2.92 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.47 1.51 7.81 82 T 8.59 3.85 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 83 D 7.96 4.45 0.00 2.78 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 84 G 8.40 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 85 E 8.21 3.95 0.00 2.08 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 2.32 2.30 0.00 86 E 8.74 4.98 0.00 2.01 1.84 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 2.21 2.49 0.00 87 V 8.45 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 0.68 0.00 0.00 0.93 0.00 0.00 88 P 0.00 4.76 0.00 1.91 2.03 0.00 3.75 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 1.97 2.06 0.00 89 R 7.99 4.32 0.00 1.81 1.69 0.00 3.29 0.00 0.00 3.28 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.39 0.00 90 P 0.00 4.44 0.00 1.92 1.92 0.00 3.61 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.94 0.00 91 L 8.74 4.79 0.00 1.51 1.49 0.81 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 92 D 8.43 5.09 0.00 2.72 2.52 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 93 T 8.83 4.04 4.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 94 S 8.61 4.12 0.00 3.92 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 95 N 8.57 4.96 0.00 2.74 2.80 0.00 0.00 6.22 7.41 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 96 V 7.84 4.95 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 0.73 0.00 0.00 0.92 0.00 0.00 97 R 8.55 4.82 0.00 1.90 1.70 0.00 3.48 0.00 0.00 3.10 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.78 0.00 98 V 8.74 4.34 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 0.94 0.00 0.00 0.91 0.00 0.00 99 T 8.61 4.64 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 1.32 0.00 0.00 100 D 7.75 4.51 0.00 2.71 2.50 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 0.00 101 L 8.67 4.96 0.00 1.51 1.48 0.56 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 102 D 9.31 4.68 0.00 2.73 2.53 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 0.00 103 L 8.07 4.62 0.00 1.75 1.64 1.09 0.85 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 0.00 104 E 8.63 4.06 0.00 2.04 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.35 0.00 105 D 7.53 4.88 0.00 2.77 2.50 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 0.00 106 E 8.90 3.98 0.00 2.05 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 2.40 2.40 0.00 107 K 8.27 3.90 0.00 2.00 1.86 0.00 1.66 0.00 0.00 1.74 0.00 0.00 2.90 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.53 1.50 7.81 108 R 7.81 3.80 0.00 1.87 1.88 0.00 3.07 0.00 0.00 3.04 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.58 0.00 109 E 8.07 3.86 0.00 2.13 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 2.41 2.50 0.00 110 A 8.29 4.00 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 0.00 111 R 8.09 3.97 0.00 2.16 2.02 0.00 3.08 0.00 0.00 3.14 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.66 0.00 112 L 8.32 4.12 0.00 1.76 1.56 0.45 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 113 E 8.43 4.37 0.00 2.13 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 2.42 2.66 0.00 114 S 7.32 4.54 0.00 3.98 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 0.00 115 E 8.47 4.58 0.00 2.05 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 0.00 2.17 2.35 0.00 116 D 8.12 4.44 0.00 2.70 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 0.00 117 D 7.29 5.02 0.00 2.44 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 0.00 118 S 9.29 4.82 0.00 3.89 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 119 A 8.80 4.19 1.17 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 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.