NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 A 4.2103 8.2649 123.5828 52.1071 19.2081 178.3665 *2 E 4.3569 8.7295 113.8265 57.1083 31.4276 175.1508 3 T 4.7777 7.8024 106.8805 59.1153 71.7937 174.0826 4 L 4.2851 9.3097 121.9796 57.8819 41.8369 179.8591 5 N 4.0172 8.5508 115.7634 56.1139 38.5575 176.1151 6 D 4.4823 8.3693 118.3330 57.6010 41.1600 180.1005 7 I 3.7453 7.2646 119.1602 61.2977 36.5322 178.3345 *9 K 4.1922 8.2082 121.7145 56.6180 34.1317 178.5975 10 I 3.8015 7.4212 118.2987 64.2396 36.9439 178.4800 11 L 4.1019 8.0883 119.9809 57.7703 41.4540 179.4914 12 I 3.5179 7.7480 119.2856 64.4706 36.9508 177.9370 13 N 4.2245 8.0566 117.1509 56.3047 38.1383 177.5783 14 V 3.7895 7.8472 118.7292 65.9734 31.9320 177.8340 15 G 3.1551 7.9578 105.3852 47.6918 0.0000 175.6021 16 L 3.9442 7.3499 122.4517 57.0574 41.3101 179.1809 17 Y 3.7984 7.1846 115.6713 60.3145 37.9820 177.5989 18 Q 4.2945 7.3820 117.4293 55.2907 28.6982 176.9052 19 G 4.0069 8.0597 108.5708 45.1289 0.0000 173.3223 20 F 4.8844 6.9098 112.9474 54.6418 41.1984 173.3713 21 D 4.9180 8.4078 121.0418 52.2725 41.3935 176.6253 22 L 3.9136 8.2445 127.4852 57.1797 41.7567 178.9453 23 T 4.2510 7.9327 107.4224 62.7307 69.0890 173.9351 24 D 4.5750 8.1498 123.8422 52.7865 41.5564 174.7174 25 P 4.2825 0.0000 0.0000 65.7114 31.1189 178.2510 26 K 4.0980 8.2165 115.6581 58.5757 32.4280 178.8073 27 V 3.9239 7.8560 120.5767 65.3497 31.7519 177.8268 28 S 4.3702 7.9912 111.0102 60.2593 63.4630 174.4323 29 E 4.5810 8.2837 119.3367 55.8530 29.4308 175.3484 30 E 4.1454 7.5858 119.6544 55.5275 30.2975 176.6693 31 V 3.6184 7.9606 125.3195 62.3725 32.5231 175.2577 32 N 4.4842 9.0563 125.6933 52.9347 38.1936 175.4748 33 H 4.2541 8.6222 124.2761 58.7563 29.1537 177.2432 34 E 4.1284 8.2836 118.4336 58.6800 29.3016 177.6968 35 T 4.2404 8.0131 105.3765 60.4231 69.8064 174.4298 36 A 3.8144 8.2150 123.5986 52.9693 17.7710 177.4761 37 N 4.9547 7.3981 115.7383 53.4785 39.7030 174.1644 *40 W 4.9801 8.4585 123.3543 57.9819 30.1804 175.1268 41 I 3.9075 9.3614 123.3181 62.1757 36.4285 175.3942 *43 D 4.3778 7.8350 119.7672 54.6975 40.9092 174.4297 44 Y 4.4461 8.5032 123.8125 58.0113 38.9150 176.1380 45 T 4.1749 8.3834 112.0135 60.7349 69.6925 175.7424 46 S 4.1346 8.5587 116.6979 61.3510 62.8959 175.4096 47 D 4.4933 7.5842 119.6523 55.9619 40.9369 177.2076 48 G 3.7581 7.7094 108.0638 45.7917 0.0000 174.1217 49 N 4.6640 8.3697 119.3557 51.3526 40.6315 175.0856 50 W 4.3424 9.5313 130.1028 59.7582 29.1721 178.2794 51 D 4.5543 8.4987 118.5266 57.4365 40.2898 178.4069 52 N 4.4054 8.8176 117.1905 56.2094 38.5504 177.2097 53 E 3.9812 8.2066 119.7927 59.3734 29.5264 179.1980 54 F 4.1120 8.2971 120.7217 61.2363 39.3148 177.2621 55 K 3.8817 8.2670 117.2761 59.8688 32.3200 178.4305 56 E 4.0067 8.1053 119.6562 59.1309 29.8415 178.1517 57 D 4.6164 8.0554 118.9149 57.1814 40.7893 179.3603 58 L 4.1117 7.6267 117.9374 55.9102 41.8852 178.1920 *60 N 4.3792 8.1109 116.4891 52.7290 40.4434 176.4814 61 F 4.4771 8.4470 118.8487 61.5102 39.5161 176.8618 62 L 3.8120 7.9720 117.3270 57.7575 41.7422 178.8080 63 D 4.4636 7.9593 118.2316 57.5006 40.8079 179.7950 64 Y 4.3206 7.6952 116.5723 58.1637 37.9064 178.0697 *66 E 4.2226 8.2307 121.4524 56.4681 31.8525 178.6810 67 V 3.5784 7.8493 118.0027 65.7772 31.3640 177.5509 68 C 4.0528 8.2271 118.6168 62.6298 31.4508 175.4001 69 Q 3.9249 8.0113 120.4550 59.2250 28.8226 178.0036 70 L 3.9511 7.9595 119.7846 57.6988 41.3970 179.3896 71 A 3.9147 8.0222 120.0333 54.9737 18.3780 179.2231 72 L 3.7680 7.7854 116.6241 58.1604 41.8286 179.2652 73 N 4.4249 7.9326 114.7532 56.9127 38.4728 176.0715 74 D 4.5439 7.6908 119.5310 55.1083 41.8397 176.3280 *76 N 4.3290 7.5960 124.3769 53.8255 39.5079 175.0037 77 F 4.7219 7.9411 129.8665 57.2407 39.3511 177.8048 *79 I 4.0539 7.7474 122.5988 61.4384 39.5185 178.4892 80 A 4.0043 8.1447 121.9517 55.1980 18.1646 179.4007 81 S 4.0909 8.3411 111.7115 61.7761 62.2722 175.8985 82 N 4.3784 8.1389 117.6297 56.9050 38.8291 176.4581 83 S 4.5174 8.4012 115.8855 61.6664 63.0203 176.2968 84 L 4.2710 8.1043 120.9219 57.6689 41.3977 179.6194 85 F 4.2207 8.0066 115.1002 59.1672 39.2767 174.9710 *87 A 4.4626 7.7746 118.2293 51.9842 20.1868 179.3998 *89 I 3.7930 7.7595 121.5895 63.0559 39.0720 177.8817 90 Y 3.9249 7.6007 116.7548 60.1412 37.7081 177.5493 91 A 3.4114 8.2684 122.7409 54.9301 18.3684 179.8534 92 G 3.4286 7.7943 103.5499 47.9947 0.0000 175.4281 93 N 4.2616 7.8265 118.8541 56.0095 38.6080 177.5236 94 L 4.0296 8.0808 120.5447 57.7611 41.6509 179.3248 95 S 4.2420 8.3046 113.4095 61.5053 62.1990 176.0956 96 L 3.9044 8.0201 122.9253 57.8551 41.5250 178.6303 97 I 3.4043 7.6843 120.0226 64.6979 36.9762 178.2028 98 F 4.2004 7.5635 117.0888 60.1532 38.8225 177.5064 99 D 4.3614 8.4222 117.9452 57.4199 40.9597 178.6464 100 S 4.0600 8.2938 115.8865 61.5845 62.7693 176.5865 101 I 3.6167 7.2127 122.2833 64.1993 36.7940 178.1115 102 K 3.8943 8.3380 120.6655 60.1118 31.9725 178.7547 103 T 3.8884 8.1570 115.8351 66.8816 68.3913 176.4303 104 D 4.6606 8.3802 120.7645 57.4146 40.8083 178.8308 105 I 3.9085 8.2770 120.6700 64.5881 37.2228 178.3113 106 S 4.1138 8.4101 114.0212 61.8399 61.9190 176.4413 107 T 3.8852 7.7983 117.6583 66.4257 68.5292 176.4925 108 L 4.6171 8.4286 121.1594 57.9567 41.5267 179.4809 109 L 3.9021 8.3175 118.6234 57.4632 41.5781 179.1572 110 S 4.3995 8.2012 112.5415 58.4534 63.6828 174.1264 111 A 4.6520 8.4731 123.8896 51.9464 16.5989 178.9844 112 E 3.9628 7.9703 119.4056 60.4204 29.7282 177.2993 113 Y 4.8561 7.7044 115.1557 57.2295 38.2714 175.6982 114 K 4.6195 7.9531 119.3351 57.6157 32.8576 176.9357 115 K 4.6768 9.3966 119.1201 56.2516 33.7531 176.0743 116 N 5.1917 7.9105 117.2354 52.1181 38.9895 175.0226 117 S 4.6653 8.6668 117.1960 58.2290 63.5085 173.7945 118 F 3.9476 8.4794 123.5141 59.2126 39.4192 174.5868 119 S 4.3617 6.9288 120.4953 56.0123 65.2995 173.5201 120 W 4.2376 8.4417 127.3127 55.7769 29.5700 174.4754 121 P 4.4031 0.0000 0.0000 62.3361 31.4912 176.4287 122 S 4.3346 8.4534 116.1482 58.2430 63.1329 174.0774 123 L 4.3664 8.3078 125.0974 54.9756 42.0260 176.3916 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 0 A 8.26 4.21 1.21 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 0.00 0.00 *2 E 8.73 4.36 0.00 2.00 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 2.22 2.31 0.00 3 T 7.80 4.78 4.68 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 1.22 0.00 0.00 4 L 9.31 4.29 0.00 1.96 2.10 0.82 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 5 N 8.55 4.02 0.00 2.69 2.73 0.00 0.00 7.04 7.64 0.00 0.00 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 D 8.37 4.48 0.00 2.94 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 7 I 7.26 3.75 2.21 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 1.52 1.07 1.15 0.00 0.00 *9 K 8.21 4.19 0.00 1.94 1.84 0.00 1.59 0.00 0.00 1.75 0.00 0.00 2.85 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.33 1.50 7.81 10 I 7.42 3.80 2.04 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 1.54 0.81 0.97 0.00 0.00 11 L 8.09 4.10 0.00 1.96 1.90 1.38 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 12 I 7.75 3.52 1.96 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 1.60 0.64 0.81 0.00 0.00 13 N 8.06 4.22 0.00 2.99 2.95 0.00 0.00 6.69 7.70 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 14 V 7.85 3.79 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 1.04 0.00 0.00 1.16 0.00 0.00 15 G 7.96 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 0.00 0.00 0.00 16 L 7.35 3.94 0.00 1.51 1.39 0.76 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 17 Y 7.18 3.80 0.00 2.60 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 18 Q 7.38 4.29 0.00 1.57 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 5.58 0.00 0.00 0.00 0.00 0.00 1.29 1.83 0.00 19 G 8.06 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 0.00 0.00 0.00 20 F 6.91 4.88 0.00 3.16 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 21 D 8.41 4.92 0.00 2.61 2.57 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.24 3.91 0.00 1.31 1.19 -0.28 -0.61 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 23 T 7.93 4.25 4.23 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 1.26 0.00 0.00 24 D 8.15 4.58 0.00 2.79 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 25 P 0.00 4.28 0.00 2.21 2.25 0.00 3.66 0.00 0.00 4.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.18 0.00 26 K 8.22 4.10 0.00 1.94 1.95 0.00 1.60 0.00 0.00 1.64 0.00 0.00 3.07 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.84 1.45 7.81 27 V 7.86 3.92 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 0.95 0.00 0.00 0.94 0.00 0.00 28 S 7.99 4.37 0.00 4.19 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 29 E 8.28 4.58 0.00 2.11 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 2.33 2.35 0.00 30 E 7.59 4.15 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 2.21 2.19 0.00 31 V 7.96 3.62 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 0.78 0.00 0.00 0.89 0.00 0.00 32 N 9.06 4.48 0.00 2.66 2.80 0.00 0.00 7.17 8.52 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 33 H 8.62 4.25 0.00 3.16 3.36 0.00 5.95 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 34 E 8.28 4.13 0.00 2.19 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 2.36 2.28 0.00 35 T 8.01 4.24 4.23 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 1.21 0.00 0.00 36 A 8.22 3.81 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 37 N 7.40 4.95 0.00 2.69 2.55 0.00 0.00 6.99 7.39 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 *40 W 8.46 4.98 0.00 3.62 3.43 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 41 I 9.36 3.91 1.91 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 1.42 0.75 0.88 0.00 0.00 *43 D 7.84 4.38 0.00 2.71 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 44 Y 8.50 4.45 0.00 3.19 2.94 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 45 T 8.38 4.17 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 1.30 0.00 0.00 46 S 8.56 4.13 0.00 3.98 4.04 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 0.00 0.00 0.00 47 D 7.58 4.49 0.00 2.72 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 48 G 7.71 3.76 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 0.00 0.00 0.00 49 N 8.37 4.66 0.00 2.74 2.72 0.00 0.00 7.02 7.95 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 50 W 9.53 4.34 0.00 3.49 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 51 D 8.50 4.55 0.00 2.88 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 52 N 8.82 4.41 0.00 2.95 2.91 0.00 0.00 6.98 7.19 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 53 E 8.21 3.98 0.00 2.23 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 2.35 2.62 0.00 54 F 8.30 4.11 0.00 3.10 3.25 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 55 K 8.27 3.88 0.00 1.99 2.18 0.00 1.70 0.00 0.00 1.69 0.00 0.00 3.00 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.71 1.46 7.81 56 E 8.11 4.01 0.00 1.99 2.28 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 2.32 2.33 0.00 57 D 8.06 4.62 0.00 2.86 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 58 L 7.63 4.11 0.00 1.05 1.42 1.01 0.55 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 *60 N 8.11 4.38 0.00 2.15 1.68 0.00 0.00 6.65 8.13 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 61 F 8.45 4.48 0.00 2.98 3.29 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 62 L 7.97 3.81 0.00 1.54 1.60 0.89 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 63 D 7.96 4.46 0.00 2.58 2.44 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 0.00 0.00 0.00 64 Y 7.70 4.32 0.00 3.26 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 *66 E 8.23 4.22 0.00 2.06 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 2.48 2.17 0.00 67 V 7.85 3.58 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 1.10 0.00 0.00 0.87 0.00 0.00 68 C 8.23 4.05 0.00 3.17 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 69 Q 8.01 3.92 0.00 2.18 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.68 0.00 0.00 0.00 0.00 0.00 2.41 2.49 0.00 70 L 7.96 3.95 0.00 1.86 1.66 0.88 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 71 A 8.02 3.91 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 72 L 7.79 3.77 0.00 1.76 1.73 0.96 1.42 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 73 N 7.93 4.42 0.00 2.82 2.85 0.00 0.00 7.12 7.45 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 74 D 7.69 4.54 0.00 2.70 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 *76 N 7.60 4.33 0.00 2.65 2.66 0.00 0.00 6.97 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 77 F 7.94 4.72 0.00 3.16 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 *79 I 7.75 4.05 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 1.37 0.83 0.94 0.00 0.00 80 A 8.14 4.00 1.41 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 0.00 0.00 0.00 81 S 8.34 4.09 0.00 4.07 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 82 N 8.14 4.38 0.00 2.79 2.91 0.00 0.00 6.99 7.63 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 83 S 8.40 4.52 0.00 4.12 4.34 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 0.00 0.00 0.00 0.00 84 L 8.10 4.27 0.00 2.00 1.83 0.99 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 85 F 8.01 4.22 0.00 2.99 3.27 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 *87 A 7.77 4.46 1.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.76 3.79 1.44 0.00 0.00 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.72 0.52 0.32 0.00 0.00 90 Y 7.60 3.92 0.00 3.24 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 91 A 8.27 3.41 1.02 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 92 G 7.79 3.43 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 0.00 93 N 7.83 4.26 0.00 2.90 3.14 0.00 0.00 7.05 6.75 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 94 L 8.08 4.03 0.00 1.75 1.83 0.70 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 95 S 8.30 4.24 0.00 3.86 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 96 L 8.02 3.90 0.00 1.82 1.78 0.87 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 97 I 7.68 3.40 1.58 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 1.53 0.80 0.12 0.00 0.00 98 F 7.56 4.20 0.00 3.24 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 99 D 8.42 4.36 0.00 2.89 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 0.00 100 S 8.29 4.06 0.00 3.88 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 0.00 101 I 7.21 3.62 2.01 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 0.76 0.39 1.06 0.00 0.00 102 K 8.34 3.89 0.00 1.94 2.06 0.00 1.66 0.00 0.00 1.67 0.00 0.00 2.96 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.47 1.53 7.81 103 T 8.16 3.89 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 1.21 0.00 0.00 104 D 8.38 4.66 0.00 3.17 3.30 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 0.00 105 I 8.28 3.91 2.13 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.12 0.97 0.00 0.00 106 S 8.41 4.11 0.00 3.90 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 0.00 107 T 7.80 3.89 4.34 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 0.00 0.00 0.00 0.71 0.00 0.00 108 L 8.43 4.62 0.00 2.15 2.06 1.11 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 0.00 0.00 0.00 0.00 0.00 0.00 109 L 8.32 3.90 0.00 1.74 1.61 0.83 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 110 S 8.20 4.40 0.00 4.07 4.09 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 0.00 111 A 8.47 4.65 1.72 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 0.00 0.00 112 E 7.97 3.96 0.00 1.75 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 1.47 1.47 0.00 113 Y 7.70 4.86 0.00 2.99 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 0.00 114 K 7.95 4.62 0.00 2.16 2.13 0.00 1.81 0.00 0.00 1.87 0.00 0.00 3.10 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.68 1.56 7.81 115 K 9.40 4.68 0.00 1.96 1.95 0.00 1.77 0.00 0.00 2.06 0.00 0.00 3.09 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.64 1.61 7.81 116 N 7.91 5.19 0.00 2.80 2.78 0.00 0.00 6.03 7.64 0.00 0.00 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 S 8.67 4.67 0.00 3.99 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 0.00 118 F 8.48 3.95 0.00 3.11 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 0.00 119 S 6.93 4.36 0.00 3.68 3.44 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 0.00 0.00 0.00 120 W 8.44 4.24 0.00 3.33 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 0.00 121 P 0.00 4.40 0.00 2.09 2.00 0.00 4.01 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.08 0.00 122 S 8.45 4.33 0.00 3.84 3.76 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 0.00 123 L 8.31 4.37 0.00 1.59 1.48 0.93 0.81 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 * Residues marked with a * may have inaccurate shift predictions.