NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.9992 8.5298 120.1082 55.8414 33.8616 173.6644 2 K 4.8185 8.4484 118.8914 55.9709 36.7199 172.1194 3 M 5.0237 9.1469 119.8029 53.6532 36.0853 175.2097 4 V 4.8221 9.0229 125.2779 61.1047 34.6036 174.1437 5 V 4.6848 8.8535 128.0923 61.2478 33.7273 174.3196 6 V 4.6288 9.1744 129.3615 61.6692 33.0214 174.2077 7 I 4.7199 8.5076 129.7986 59.3914 39.6074 175.5487 8 R 4.5205 8.3051 126.6825 56.3696 30.2517 176.0917 9 N 4.9182 8.8979 121.7666 53.5239 39.1405 174.7601 10 D 4.6863 8.0565 116.5875 54.5052 40.3763 177.7458 11 L 4.1156 7.8499 119.1583 55.2728 42.0974 177.2258 12 G 3.8849 8.1901 105.8666 46.4209 0.0000 173.6090 13 M 4.1282 8.0265 118.7007 54.7019 32.6616 177.4046 14 G 3.9099 8.3873 109.3629 43.7284 0.0000 174.9496 15 K 4.0271 8.5737 119.2584 59.5293 32.0071 179.7906 16 G 3.6413 8.0590 105.3003 47.8034 0.0000 175.4516 17 K 4.0113 7.9652 121.5305 59.4039 32.2370 178.7352 18 M 4.1250 8.2492 119.2330 58.2233 31.7551 178.9257 19 V 3.5515 7.8647 118.3216 65.7673 31.6547 178.0315 20 A 3.8612 7.9283 120.5076 55.2343 18.2822 179.7074 21 Q 3.9480 8.4884 117.0981 59.1253 28.8547 179.1224 22 G 3.7972 8.4840 107.2765 47.6983 0.0000 175.7438 23 G 3.6670 8.1685 108.0403 48.1408 0.0000 175.4781 24 H 4.2990 8.2999 118.7107 58.3693 28.6670 177.7612 25 A 4.0245 8.0141 122.5768 55.1938 18.1579 179.6774 26 I 3.6886 8.3459 118.5090 64.6927 37.1771 178.6435 27 I 3.8271 7.7597 120.4801 64.6759 36.9013 178.4429 28 E 4.0011 8.4003 119.0833 59.2705 29.2785 179.3538 29 A 3.9721 8.2989 120.9998 54.9122 18.4885 179.2755 30 F 4.0368 8.4918 119.4754 61.6644 39.4854 177.4291 31 L 3.7876 8.2902 118.6022 57.6026 40.8931 178.9508 32 D 4.2583 8.3427 117.9904 57.2722 41.1825 178.3033 33 A 3.7276 8.3272 121.5547 55.0376 18.1871 179.4173 34 K 3.7495 7.8683 117.2434 59.7143 32.2253 178.8266 35 R 4.0356 7.8259 116.6782 57.8219 30.0137 178.0247 36 K 4.4626 7.1154 117.0088 56.7982 34.8712 176.6075 37 N 4.9552 8.4169 118.2279 49.7862 39.4138 172.3050 38 P 4.2545 0.0000 0.0000 65.6262 31.5634 178.7725 39 R 3.9276 8.0204 117.0536 58.9997 30.0477 178.6765 40 A 4.0643 8.7493 121.1203 55.0998 18.3849 179.8803 41 V 3.7371 7.7923 116.4818 66.1786 31.4953 177.9992 42 D 4.4837 8.4051 118.8636 57.3156 40.6631 178.3171 43 E 3.9551 8.1609 119.3146 59.0527 29.6504 178.5274 44 W 4.3325 8.4857 128.3779 60.6256 30.8023 177.8969 45 L 3.6179 8.3317 118.7621 57.8660 40.8760 179.7080 46 R 3.9539 7.9940 116.8465 59.0669 30.0602 178.0706 47 E 4.3688 7.7999 115.5189 56.3420 29.5868 177.2195 48 G 3.7873 7.7499 107.7153 44.3220 0.0000 174.2240 49 Q 2.0000 7.5069 116.5313 55.1344 27.8430 174.6904 50 K 4.0259 7.4114 118.8764 57.9775 33.6822 176.1524 51 K 5.3594 8.7084 125.0986 54.7046 36.1113 175.6354 52 V 4.4359 8.6052 122.8829 61.0816 35.0977 174.1942 53 V 4.7656 8.4608 127.2974 61.6203 33.3083 174.8177 54 V 4.9589 8.6920 121.1961 59.3702 35.3132 174.5061 55 K 5.7375 8.6565 119.9901 54.4206 35.8173 175.8214 56 V 4.5430 8.1531 112.2805 59.6288 36.2373 175.7662 57 N 4.7332 9.3735 119.0807 52.7346 39.0204 175.2825 58 S 4.8558 7.2962 113.3869 57.3155 66.4995 175.5013 59 E 3.9223 8.5010 123.0976 59.2009 29.4135 178.7132 60 K 3.8854 8.0357 119.3321 59.6280 32.2693 178.2364 61 E 3.9613 8.3164 119.5398 58.8880 29.4951 178.5488 62 L 3.9475 7.8544 120.5896 58.2808 42.1603 179.0552 63 I 3.8280 8.0144 119.9060 64.3755 36.9383 178.1488 64 D 4.3845 8.3483 119.8110 57.4813 40.7117 178.7909 65 I 3.7108 7.7497 120.2106 64.6045 37.0636 177.8516 66 Y 4.0835 8.0683 120.1402 60.8630 38.6234 177.7794 67 N 4.0776 8.6122 117.8103 56.1248 38.5998 177.2782 68 K 3.9562 8.5120 122.2120 58.7707 32.2801 178.7158 69 A 3.9062 7.9140 120.9930 55.2271 18.3252 179.8019 70 R 3.7057 7.7742 116.9509 59.3612 30.1487 179.5079 71 S 4.0939 8.3256 114.4372 61.3779 62.7741 175.8953 72 E 4.2722 8.1652 120.1969 56.5390 29.2889 177.3786 73 G 3.7961 7.8169 107.0241 46.1294 0.0000 173.4736 74 L 4.5532 7.4824 118.4290 52.4254 43.3926 175.1542 75 P 4.6517 0.0000 0.0000 63.1476 32.5609 175.3079 76 C 5.1884 8.8025 117.8341 58.4411 33.0756 172.5248 77 S 4.8527 8.6473 111.9177 57.6779 66.2519 173.4862 78 I 4.7968 7.9386 120.2824 59.4607 40.6803 174.0320 79 I 4.4824 8.9254 130.2165 59.6185 39.6311 174.4264 80 R 4.9278 8.3730 125.7964 54.5680 31.9751 174.5602 81 D 4.6562 9.2825 126.1378 53.1009 42.9568 175.9645 82 A 4.4338 8.2370 126.2079 51.5333 15.5071 176.4845 *90 G 3.7295 7.7985 106.5658 45.8408 0.0000 170.1469 91 T 4.5978 7.8830 117.4901 60.9814 71.8618 172.0336 92 L 4.8101 8.2030 124.2149 54.5364 41.4992 177.0655 93 T 4.3937 8.8625 115.0204 63.3824 70.9433 174.3899 94 A 4.7742 7.4553 121.0556 51.1541 22.7826 175.1174 95 V 5.1433 9.0361 117.8054 60.4277 35.9924 174.0178 96 A 5.1785 8.2834 121.8094 50.5205 23.0555 175.2075 97 I 4.7266 9.3292 122.2838 60.7838 40.9752 175.4091 98 G 3.6128 8.7951 112.5163 43.0430 0.0000 171.1808 99 P 4.6478 0.0000 0.0000 62.8147 31.9891 175.3263 100 E 4.6679 8.1797 118.9799 55.1784 34.5610 174.5326 101 K 4.1912 9.3381 121.4262 57.1894 32.6104 178.2389 102 D 4.4286 9.1765 124.3290 57.8268 40.5400 179.2729 103 E 4.0543 8.1247 117.2688 59.2011 29.5558 179.1669 104 K 3.9987 7.7799 118.3676 58.9762 32.2816 178.9742 105 I 3.9872 7.5976 119.6896 64.1769 37.3990 177.7878 106 D 4.3806 8.4191 119.8991 57.0050 40.3015 178.6848 107 K 3.9098 7.5258 119.6306 59.5676 32.1685 178.5708 108 I 3.9890 7.7328 119.2535 63.8776 37.6586 177.5971 109 T 4.5238 7.5906 107.5929 61.2945 69.0411 175.9165 110 G 3.8019 8.3415 112.6362 49.1176 0.0000 174.6120 111 H 4.5124 8.1455 113.1154 56.7879 29.3276 175.6044 112 L 4.1506 7.2855 120.3946 54.7199 42.2172 177.0342 113 K 4.4524 8.4296 120.6450 55.4182 34.0144 176.4031 114 L 4.4823 8.3353 122.5035 54.3566 42.5812 177.1006 115 L 4.1001 8.3647 123.0996 55.4828 41.9698 176.7002 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 8.53 5.00 0.00 2.06 2.30 0.00 0.00 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.45 0.00 2 K 8.45 4.82 0.00 1.93 2.00 0.00 1.30 0.00 0.00 1.67 0.00 0.00 2.85 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.35 1.49 7.81 3 M 9.15 5.02 0.00 2.20 1.44 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.44 0.00 4 V 9.02 4.82 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 0.85 0.00 0.00 0.95 0.00 0.00 5 V 8.85 4.68 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 1.02 0.00 0.00 0.98 0.00 0.00 6 V 9.17 4.63 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 0.99 0.00 0.00 0.95 0.00 0.00 7 I 8.51 4.72 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 1.23 0.84 0.91 0.00 0.00 8 R 8.31 4.52 0.00 1.75 2.04 0.00 3.12 0.00 0.00 3.31 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.57 0.00 9 N 8.90 4.92 0.00 2.71 2.79 0.00 0.00 7.20 8.46 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 10 D 8.06 4.69 0.00 2.86 3.01 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 11 L 7.85 4.12 0.00 1.66 1.76 0.92 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 12 G 8.19 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 0.00 0.00 0.00 13 M 8.03 4.13 0.00 2.02 2.01 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.54 0.00 14 G 8.39 3.91 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 0.00 0.00 0.00 15 K 8.57 4.03 0.00 1.80 1.87 0.00 1.68 0.00 0.00 1.82 0.00 0.00 2.93 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.53 1.51 7.81 16 G 8.06 3.64 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 K 7.97 4.01 0.00 1.83 1.92 0.00 1.73 0.00 0.00 1.82 0.00 0.00 2.95 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.50 1.52 7.81 18 M 8.25 4.13 0.00 2.10 2.20 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.82 2.54 0.00 19 V 7.86 3.55 2.20 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 1.07 0.00 0.00 0.96 0.00 0.00 20 A 7.93 3.86 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 21 Q 8.49 3.95 0.00 2.06 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.72 0.00 0.00 0.00 0.00 0.00 2.55 2.52 0.00 22 G 8.48 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 G 8.17 3.67 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 0.00 0.00 0.00 24 H 8.30 4.30 0.00 3.31 3.32 0.00 5.63 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 A 8.01 4.02 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 26 I 8.35 3.69 2.06 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.82 1.00 0.00 0.00 27 I 7.76 3.83 1.95 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 1.70 0.93 1.01 0.00 0.00 28 E 8.40 4.00 0.00 2.21 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 2.53 2.49 0.00 29 A 8.30 3.97 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.49 4.04 0.00 3.14 3.38 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 31 L 8.29 3.79 0.00 1.75 1.68 1.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 32 D 8.34 4.26 0.00 2.94 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 33 A 8.33 3.73 1.22 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 0.00 0.00 34 K 7.87 3.75 0.00 1.13 1.50 0.00 1.10 0.00 0.00 1.45 0.00 0.00 3.03 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.29 1.29 7.81 35 R 7.83 4.04 0.00 1.92 1.93 0.00 3.29 0.00 0.00 3.19 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.64 0.00 36 K 7.12 4.46 0.00 1.61 1.80 0.00 1.61 0.00 0.00 1.59 0.00 0.00 2.94 0.00 0.00 3.24 0.00 0.00 0.00 0.00 1.35 1.51 7.81 37 N 8.42 4.96 0.00 2.57 2.58 0.00 0.00 6.99 7.75 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 38 P 0.00 4.25 0.00 2.29 2.37 0.00 3.73 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 2.06 2.05 0.00 39 R 8.02 3.93 0.00 2.02 2.03 0.00 3.13 0.00 0.00 3.35 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.70 0.00 40 A 8.75 4.06 1.40 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 0.00 0.00 0.00 41 V 7.79 3.74 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 1.20 0.00 0.00 0.84 0.00 0.00 42 D 8.41 4.48 0.00 2.98 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 43 E 8.16 3.96 0.00 2.11 2.25 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 2.40 2.38 0.00 44 W 8.49 4.33 0.00 3.42 3.53 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 45 L 8.33 3.62 0.00 2.01 1.67 1.16 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 46 R 7.99 3.95 0.00 1.92 1.99 0.00 3.16 0.00 0.00 3.24 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.89 0.00 47 E 7.80 4.37 0.00 1.95 1.97 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 2.34 2.62 0.00 48 G 7.75 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 49 Q 7.51 2.00 0.00 0.93 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.71 0.00 0.00 0.00 0.00 0.00 1.80 1.83 0.00 50 K 7.41 4.03 0.00 1.89 1.90 0.00 1.70 0.00 0.00 1.89 0.00 0.00 3.06 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.61 1.54 7.81 51 K 8.71 5.36 0.00 1.70 1.74 0.00 1.82 0.00 0.00 1.76 0.00 0.00 2.96 0.00 0.00 3.20 0.00 0.00 0.00 0.00 1.68 1.87 7.81 52 V 8.61 4.44 2.12 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 1.03 0.00 0.00 0.97 0.00 0.00 53 V 8.46 4.77 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 1.01 0.00 0.00 0.95 0.00 0.00 54 V 8.69 4.96 2.16 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 0.72 0.00 0.00 0.99 0.00 0.00 55 K 8.66 5.74 0.00 1.77 1.74 0.00 1.54 0.00 0.00 1.56 0.00 0.00 3.08 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.50 1.22 7.81 56 V 8.15 4.54 2.19 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 0.78 0.00 0.00 0.94 0.00 0.00 57 N 9.37 4.73 0.00 2.64 2.80 0.00 0.00 6.79 7.77 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 58 S 7.30 4.86 0.00 3.99 3.91 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 59 E 8.50 3.92 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 2.37 2.35 0.00 60 K 8.04 3.89 0.00 1.87 1.80 0.00 1.78 0.00 0.00 1.75 0.00 0.00 2.90 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.64 1.52 7.81 61 E 8.32 3.96 0.00 2.11 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 2.33 2.34 0.00 62 L 7.85 3.95 0.00 1.83 1.83 0.93 1.10 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 63 I 8.01 3.83 2.04 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 1.52 0.69 1.02 0.00 0.00 64 D 8.35 4.38 0.00 2.88 2.74 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 65 I 7.75 3.71 2.09 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 1.63 0.99 0.95 0.00 0.00 66 Y 8.07 4.08 0.00 3.07 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 67 N 8.61 4.08 0.00 2.94 2.82 0.00 0.00 6.71 7.22 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 68 K 8.51 3.96 0.00 1.99 1.91 0.00 1.69 0.00 0.00 1.74 0.00 0.00 2.95 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.42 1.30 7.81 69 A 7.91 3.91 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 70 R 7.77 3.71 0.00 1.66 1.79 0.00 3.16 0.00 0.00 3.02 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 1.16 0.00 71 S 8.33 4.09 0.00 3.97 4.13 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 72 E 8.17 4.27 0.00 2.13 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 2.42 2.44 0.00 73 G 7.82 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 L 7.48 4.55 0.00 1.50 1.54 0.95 0.87 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 75 P 0.00 4.65 0.00 1.97 1.97 0.00 3.55 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 2.02 2.01 0.00 76 C 8.80 5.19 0.00 3.13 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 77 S 8.65 4.85 0.00 3.93 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 78 I 7.94 4.80 0.70 0.00 0.00 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.86 0.15 0.00 0.00 79 I 8.93 4.48 1.87 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 1.23 1.01 1.01 0.00 0.00 80 R 8.37 4.93 0.00 1.73 1.74 0.00 3.19 0.00 0.00 3.13 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.69 0.00 81 D 9.28 4.66 0.00 2.92 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 82 A 8.24 4.43 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 *90 G 7.80 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 0.00 0.00 0.00 91 T 7.88 4.60 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 1.20 0.00 0.00 92 L 8.20 4.81 0.00 1.58 1.54 0.86 0.75 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 93 T 8.86 4.39 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 1.30 0.00 0.00 94 A 7.46 4.77 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 95 V 9.04 5.14 2.12 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 1.45 0.00 0.00 0.94 0.00 0.00 96 A 8.28 5.18 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 97 I 9.33 4.73 1.86 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 1.18 0.75 0.88 0.00 0.00 98 G 8.80 3.61 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 P 0.00 4.65 0.00 1.51 0.49 0.00 3.07 0.00 0.00 3.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.18 0.00 100 E 8.18 4.67 0.00 1.78 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 2.20 2.19 0.00 101 K 9.34 4.19 0.00 1.66 2.07 0.00 1.69 0.00 0.00 1.85 0.00 0.00 2.87 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.48 1.44 7.81 102 D 9.18 4.43 0.00 2.78 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 0.00 103 E 8.12 4.05 0.00 2.16 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 2.36 2.34 0.00 104 K 7.78 4.00 0.00 1.89 1.89 0.00 1.83 0.00 0.00 1.68 0.00 0.00 3.00 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.46 1.47 7.81 105 I 7.60 3.99 1.87 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.69 0.90 0.00 0.00 106 D 8.42 4.38 0.00 2.68 2.74 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 0.00 107 K 7.53 3.91 0.00 1.83 2.05 0.00 1.79 0.00 0.00 1.69 0.00 0.00 3.01 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.45 1.49 7.81 108 I 7.73 3.99 1.99 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 1.78 0.90 0.92 0.00 0.00 109 T 7.59 4.52 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 1.22 0.00 0.00 110 G 8.34 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 H 8.15 4.51 0.00 3.30 3.43 0.00 5.54 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 0.00 112 L 7.29 4.15 0.00 1.59 1.58 0.89 0.72 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 0.00 113 K 8.43 4.45 0.00 1.67 1.71 0.00 1.68 0.00 0.00 1.82 0.00 0.00 2.82 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.49 1.41 7.81 114 L 8.34 4.48 0.00 1.53 1.60 0.93 0.96 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 0.00 115 L 8.36 4.10 0.00 1.60 1.55 0.92 0.72 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 * Residues marked with a * may have inaccurate shift predictions.