NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.9853 8.1400 114.7992 57.7989 64.6499 174.1993 2 L 4.0278 8.8774 123.2740 58.0709 41.7807 177.8414 3 L 4.0674 8.7711 119.8540 57.8081 41.9575 178.7505 4 E 4.0522 8.0711 118.7386 59.2984 29.2952 179.0036 5 F 4.6744 8.7591 121.0912 61.5150 39.4435 177.3942 6 G 3.5229 8.3845 105.4057 47.6427 0.0000 175.6317 7 K 4.0126 8.1849 122.0602 59.3850 32.2466 178.5821 8 M 4.3162 8.5202 118.8823 58.7132 32.0695 178.1571 9 I 3.6045 7.9170 120.2104 64.3051 37.2506 178.1496 10 L 4.4690 7.8779 122.2725 57.7849 41.7304 178.6468 11 E 3.9968 8.3253 117.6891 59.4952 29.4874 178.8658 12 E 4.1073 8.2376 118.2857 59.0263 29.9324 178.0004 13 T 4.4318 8.2452 107.5123 60.8535 70.2828 175.7865 14 G 3.8025 8.2953 109.7983 45.7255 0.0000 173.1346 *16 K 4.3139 7.4342 117.8227 55.8481 33.4710 175.0878 17 L 4.3456 8.1539 122.1057 54.3696 42.5612 177.8842 18 A 4.0192 8.9195 126.6341 54.7613 18.5231 177.1424 19 I 4.6576 7.6521 116.1799 59.3469 38.3454 173.7241 20 P 4.8432 0.0000 0.0000 61.9415 31.9083 176.7037 21 S 4.3240 7.9164 115.7134 60.8447 62.7474 174.5974 22 Y 4.7622 8.2681 114.9885 57.4325 39.0467 176.1160 23 S 4.7637 8.1771 116.0635 59.4075 64.3938 175.3128 24 S 4.6158 7.8300 116.6240 57.7453 63.3261 172.3085 25 Y 4.8977 8.2445 121.5520 58.3741 40.4096 175.3426 26 G 3.3606 8.0835 116.5439 47.1806 0.0000 173.4439 27 C 4.5643 9.6070 117.0335 57.9384 40.8840 173.9290 28 Y 4.3955 8.5517 114.5915 57.5035 39.2975 174.8796 29 C 4.7466 8.4571 118.6811 58.4718 40.3206 173.8843 30 G 4.5184 10.5350 113.5536 46.6065 0.0000 173.3012 31 W 5.0692 8.0538 123.6538 56.0253 34.2224 175.0109 32 G 3.6457 8.9101 104.8870 46.8157 0.0000 169.1398 33 G 3.5982 7.1373 110.4756 44.0483 0.0000 174.2054 34 K 4.6426 7.3404 119.9790 54.2124 37.0566 176.0825 35 G 4.4688 9.5945 107.5719 45.0892 0.0000 173.3185 36 T 4.2400 8.0430 115.6255 61.6864 69.0503 173.6019 37 P 4.6520 0.0000 0.0000 62.9713 31.9140 176.8435 38 K 3.7573 8.7737 121.6125 59.1958 32.3153 176.1602 39 D 4.4104 7.2708 115.5459 51.4415 41.8736 175.4779 40 A 4.0017 8.6696 119.8567 55.9499 18.0894 179.8329 41 T 4.0223 8.0636 113.6633 66.9909 68.5250 176.1539 42 D 4.6262 9.0216 120.2726 57.5873 41.1363 178.5615 43 R 3.9571 8.2728 118.6626 59.1502 29.9395 178.2481 44 C 4.2080 8.3789 116.6390 60.3988 39.3231 175.6184 45 C 4.3544 8.2550 117.7366 59.7122 40.9964 175.7084 46 F 3.6477 8.5873 122.7449 61.3988 38.9025 177.4220 47 V 3.5022 8.1979 117.9876 66.1855 31.1948 177.4322 48 H 3.9029 8.2803 118.1031 59.1130 29.5992 177.0438 49 D 4.1163 8.2004 121.0728 57.5202 40.4228 178.1186 50 C 4.0806 7.6045 115.8500 59.8351 35.5646 175.0311 51 C 4.2823 8.2558 120.4862 60.0373 44.3115 175.3047 52 Y 4.2677 8.0431 118.5557 61.0663 37.1782 178.7967 53 G 3.6328 8.0116 105.3962 47.0325 0.0000 174.9334 54 N 4.5738 7.8311 117.2140 54.3014 39.8839 174.9708 55 L 4.8323 7.5037 119.7217 52.7260 42.1602 175.0907 56 P 4.1877 0.0000 0.0000 65.6399 32.2787 178.4967 *59 D 4.9620 7.8887 117.3215 54.3710 42.5183 175.3294 *61 C 5.2991 7.6442 116.0148 57.3361 42.4133 172.8802 *67 N 5.0204 7.9460 116.3658 52.9051 38.5263 173.6572 68 P 4.0552 0.0000 0.0000 64.7300 32.2506 179.2540 69 K 4.1220 8.0809 118.1593 58.4869 32.2007 178.5407 70 S 4.7195 7.7749 110.8738 58.5193 64.8887 173.8421 71 D 4.4149 8.1210 121.6376 53.8889 41.2348 175.5465 72 R 4.4215 8.4342 126.1320 55.4022 31.1839 175.0936 73 Y 4.9437 7.7565 119.2358 55.0103 41.1491 174.5691 74 K 4.9762 8.5939 118.7011 54.9531 35.0557 175.1141 75 Y 5.5180 8.3443 120.6890 55.6084 41.5379 173.4112 76 K 4.6965 9.2905 119.1295 55.3295 36.9227 174.5620 77 R 5.1158 8.5380 118.5579 54.4536 32.4030 176.4286 78 V 4.1543 8.9172 124.4459 61.5687 32.6719 174.8346 79 N 3.9524 8.4720 128.6996 53.8936 36.6898 176.6662 80 G 4.0157 8.9700 110.6031 49.5401 0.0000 173.2814 81 A 4.2562 8.1293 123.2574 51.5333 19.2064 176.3250 82 I 4.5430 8.2390 123.6588 61.0847 38.2401 175.6484 83 V 4.3490 9.0130 127.2440 60.9710 33.9524 173.9648 84 C 4.8127 8.8866 126.3767 57.2281 40.5442 173.5160 85 E 4.6640 9.0557 123.8650 54.7569 31.1530 176.0843 86 K 4.4580 7.9093 122.9573 55.7484 33.6617 175.3805 *88 G 4.2414 8.2657 114.8197 45.3312 0.0000 173.1037 89 T 4.2186 8.8475 115.5048 61.0287 71.0119 175.8061 90 S 4.0919 8.5367 117.2570 62.0731 62.7928 177.7093 91 C 4.2567 8.1238 118.4187 60.1644 40.0433 175.9171 92 E 4.0207 8.2200 120.0630 59.4532 28.5099 179.1399 93 N 4.2696 8.4458 116.7827 56.4888 38.6357 177.7469 94 R 3.9155 8.0168 119.3529 59.0657 30.1165 179.0699 95 I 3.6472 8.0795 120.1094 64.5086 37.1332 177.5714 96 C 2.9497 7.9710 119.3763 59.3653 43.0263 175.5179 97 E 3.8155 7.9772 120.0666 59.3587 28.9786 178.6896 98 C 4.1562 8.0681 116.5950 60.1338 40.2860 175.9875 99 D 3.7536 8.0002 120.4438 56.8831 40.3253 178.5299 100 K 3.6952 8.2514 120.3411 59.5761 32.1207 178.5835 101 A 3.8495 7.8829 120.5633 55.0975 18.2567 179.5178 102 A 3.5127 7.7932 119.0212 54.8575 18.3818 179.7607 103 A 3.8596 8.1656 119.5737 55.3129 18.4150 179.8610 104 I 3.6132 7.7834 118.4397 64.6594 36.9519 177.7769 105 C 4.1755 8.1390 118.3991 59.7357 38.3881 175.3308 106 F 4.6076 8.2160 119.7389 60.6516 38.0415 177.5901 107 R 3.9531 8.1696 118.3673 59.5401 29.7067 178.2818 108 Q 4.1624 8.3403 117.8906 57.9215 29.2842 176.1502 109 N 5.0835 7.7583 115.6753 53.0080 39.6779 176.2604 110 L 4.1890 7.9050 121.6599 57.7356 41.7704 179.1393 111 N 4.5092 8.3317 114.9825 54.9915 37.1900 175.3899 112 T 4.5636 7.8706 107.3659 61.2704 69.5101 173.6146 113 Y 4.3098 8.1566 124.6150 57.6039 39.6649 174.1990 114 S 4.6867 8.6489 120.2477 56.1281 65.1411 175.1075 115 K 4.1178 8.7996 127.3440 58.9982 32.0703 179.0703 116 K 3.9218 7.7455 116.8690 59.0917 32.6251 177.0169 117 Y 4.4664 7.3643 116.4345 58.0265 38.2814 175.4157 118 M 4.4356 7.5671 120.7296 56.3428 32.5141 175.9389 119 L 3.6745 8.3209 120.8204 55.5896 40.0347 174.5950 120 Y 4.1393 8.1830 119.0266 56.7806 39.5140 173.6676 121 P 4.3450 0.0000 0.0000 62.4028 32.3779 176.6283 122 D 4.2812 8.8972 121.5650 57.2646 41.2624 177.9570 *124 F 4.7467 7.8336 111.4105 56.5307 39.5557 175.3277 125 L 3.7694 6.8702 119.0826 55.0313 41.3638 176.3052 126 C 4.9065 8.0532 117.5693 54.7792 40.8658 173.0783 127 K 4.7067 8.3329 123.0030 55.2319 35.5103 176.8045 128 G 4.3162 8.8428 107.8403 46.1139 0.0000 172.3881 129 E 4.6586 8.4019 121.0782 55.0063 30.6342 175.6808 130 L 4.7043 8.5176 124.6058 52.9691 44.1058 175.8813 131 K 4.2023 8.5342 125.7899 56.2911 33.0379 177.6765 *133 C 4.6244 8.6485 119.1984 57.5124 41.5357 173.7290 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 4.99 0.00 4.15 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 0.00 2 L 8.88 4.03 0.00 1.93 1.82 1.22 0.64 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 8.77 4.07 0.00 1.76 1.73 0.94 1.02 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 8.07 4.05 0.00 1.94 1.92 0.00 0.00 0.00 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 2.23 0.00 5 F 8.76 4.67 0.00 3.44 3.40 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 6 G 8.38 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 7 K 8.18 4.01 0.00 1.91 2.06 0.00 1.68 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.56 1.50 7.81 8 M 8.52 4.32 0.00 2.34 2.21 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.55 0.00 9 I 7.92 3.60 1.82 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.07 0.64 0.00 0.00 10 L 7.88 4.47 0.00 1.76 1.82 0.91 0.72 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 8.33 4.00 0.00 2.20 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 2.42 2.66 0.00 12 E 8.24 4.11 0.00 2.15 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 2.42 2.37 0.00 13 T 8.25 4.43 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 1.22 0.00 0.00 14 G 8.30 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 *16 K 7.43 4.31 0.00 1.89 1.59 0.00 1.39 0.00 0.00 0.85 0.00 0.00 2.48 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.17 1.26 7.81 17 L 8.15 4.35 0.00 1.69 1.74 0.91 0.93 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 18 A 8.92 4.02 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 19 I 7.65 4.66 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 0.71 0.94 0.00 0.00 20 P 0.00 4.84 0.00 2.19 2.16 0.00 3.35 0.00 0.00 4.31 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 7.92 4.32 0.00 3.79 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 22 Y 8.27 4.76 0.00 2.67 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 23 S 8.18 4.76 0.00 4.10 4.20 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 24 S 7.83 4.62 0.00 4.02 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 25 Y 8.24 4.90 0.00 3.16 2.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 G 8.08 3.36 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 0.00 27 C 9.61 4.56 0.00 2.95 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 28 Y 8.55 4.40 0.00 3.41 3.26 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 29 C 8.46 4.75 0.00 3.52 3.55 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 30 G 10.54 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 31 W 8.05 5.07 0.00 3.23 3.28 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 0.00 32 G 8.91 3.65 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 G 7.14 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.34 4.64 0.00 1.88 1.86 0.00 1.77 0.00 0.00 1.72 0.00 0.00 3.08 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.33 1.39 7.81 35 G 9.59 4.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.04 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 1.15 0.00 0.00 37 P 0.00 4.65 0.00 1.92 2.03 0.00 3.46 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.80 0.00 38 K 8.77 3.76 0.00 0.79 0.74 0.00 1.65 0.00 0.00 1.45 0.00 0.00 2.81 0.00 0.00 2.73 0.00 0.00 0.00 0.00 0.87 0.21 7.81 39 D 7.27 4.41 0.00 2.81 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 40 A 8.67 4.00 1.42 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 0.00 0.00 0.00 41 T 8.06 4.02 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 1.01 0.00 0.00 42 D 9.02 4.63 0.00 2.96 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 43 R 8.27 3.96 0.00 2.09 1.94 0.00 3.10 0.00 0.00 3.06 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.83 0.00 44 C 8.38 4.21 0.00 3.28 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 45 C 8.25 4.35 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 46 F 8.59 3.65 0.00 2.64 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 47 V 8.20 3.50 2.05 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 0.88 0.00 0.00 1.05 0.00 0.00 48 H 8.28 3.90 0.00 3.09 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 8.20 4.12 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 50 C 7.60 4.08 0.00 2.90 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 51 C 8.26 4.28 0.00 2.96 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 52 Y 8.04 4.27 0.00 3.02 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 8.01 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 0.00 0.00 0.00 54 N 7.83 4.57 0.00 2.87 2.85 0.00 0.00 6.76 7.74 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 55 L 7.50 4.83 0.00 1.58 1.51 0.87 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 56 P 0.00 4.19 0.00 2.19 2.28 0.00 3.75 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 7.89 4.96 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 7.64 5.30 0.00 3.01 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 *67 N 7.95 5.02 0.00 2.73 2.77 0.00 0.00 7.63 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 4.06 0.00 1.01 0.74 0.00 3.32 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 1.41 0.00 69 K 8.08 4.12 0.00 1.82 1.90 0.00 1.64 0.00 0.00 1.93 0.00 0.00 3.04 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.62 1.44 7.81 70 S 7.77 4.72 0.00 3.94 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 71 D 8.12 4.41 0.00 2.73 2.64 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 72 R 8.43 4.42 0.00 1.80 1.85 0.00 3.17 0.00 0.00 3.32 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.57 0.00 73 Y 7.76 4.94 0.00 3.09 3.09 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 74 K 8.59 4.98 0.00 1.75 1.91 0.00 1.63 0.00 0.00 1.86 0.00 0.00 2.90 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.46 1.36 7.81 75 Y 8.34 5.52 0.00 3.12 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 76 K 9.29 4.70 0.00 1.79 1.92 0.00 1.28 0.00 0.00 1.81 0.00 0.00 2.86 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.49 1.43 7.81 77 R 8.54 5.12 0.00 1.72 2.15 0.00 3.40 0.00 0.00 3.26 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.60 0.00 78 V 8.92 4.15 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 1.01 0.00 0.00 0.95 0.00 0.00 79 N 8.47 3.95 0.00 2.92 2.65 0.00 0.00 7.07 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 8.97 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 81 A 8.13 4.26 1.34 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 0.00 0.00 82 I 8.24 4.54 1.83 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.60 0.78 0.00 0.00 83 V 9.01 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 8.89 4.81 0.00 2.96 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 9.06 4.66 0.00 2.03 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 7.91 4.46 0.00 1.80 1.70 0.00 1.79 0.00 0.00 1.79 0.00 0.00 2.89 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.51 1.40 7.81 *88 G 8.27 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 89 T 8.85 4.22 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 1.28 0.00 0.00 90 S 8.54 4.09 0.00 3.87 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 91 C 8.12 4.26 0.00 2.95 3.11 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 0.00 0.00 0.00 0.00 92 E 8.22 4.02 0.00 2.30 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 0.00 2.56 2.55 0.00 93 N 8.45 4.27 0.00 2.83 2.83 0.00 0.00 7.05 8.38 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 94 R 8.02 3.92 0.00 1.82 1.92 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 1.61 1.75 0.00 95 I 8.08 3.65 2.01 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 1.19 0.62 1.00 0.00 0.00 96 C 7.97 2.95 0.00 2.17 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 7.98 3.82 0.00 2.06 1.89 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 2.42 2.42 0.00 98 C 8.07 4.16 0.00 3.17 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 8.00 3.75 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 0.00 100 K 8.25 3.70 0.00 1.61 1.87 0.00 1.56 0.00 0.00 1.72 0.00 0.00 2.89 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.35 1.37 7.81 101 A 7.88 3.85 1.28 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 0.00 0.00 0.00 102 A 7.79 3.51 1.04 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 0.00 0.00 103 A 8.17 3.86 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 0.00 104 I 7.78 3.61 1.94 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 1.38 0.63 0.88 0.00 0.00 105 C 8.14 4.18 0.00 2.89 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 0.00 106 F 8.22 4.61 0.00 3.02 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 0.00 107 R 8.17 3.95 0.00 1.97 2.13 0.00 3.17 0.00 0.00 3.36 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.71 0.00 108 Q 8.34 4.16 0.00 2.19 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.87 0.00 0.00 0.00 0.00 0.00 2.39 2.41 0.00 109 N 7.76 5.08 0.00 3.02 2.87 0.00 0.00 6.83 6.24 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 0.00 110 L 7.90 4.19 0.00 1.77 1.76 0.99 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 111 N 8.33 4.51 0.00 2.87 3.00 0.00 0.00 5.84 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 7.87 4.56 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 8.16 4.31 0.00 3.06 2.96 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 0.00 114 S 8.65 4.69 0.00 3.83 3.55 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 0.00 115 K 8.80 4.12 0.00 1.87 1.87 0.00 1.77 0.00 0.00 1.90 0.00 0.00 3.02 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.71 1.61 7.81 116 K 7.75 3.92 0.00 1.61 1.71 0.00 1.15 0.00 0.00 1.41 0.00 0.00 2.13 0.00 0.00 2.77 0.00 0.00 0.00 0.00 0.66 0.21 7.81 117 Y 7.36 4.47 0.00 1.78 1.86 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 0.00 118 M 7.57 4.44 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 2.77 2.72 0.00 119 L 8.32 3.67 0.00 1.83 1.74 0.92 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 120 Y 8.18 4.14 0.00 3.05 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 0.00 121 P 0.00 4.34 0.00 2.42 2.19 0.00 2.74 0.00 0.00 3.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.81 0.00 122 D 8.90 4.28 0.00 2.77 2.80 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 *124 F 7.83 4.75 0.00 3.25 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 0.00 125 L 6.87 3.77 0.00 1.09 1.53 0.34 0.51 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 8.05 4.91 0.00 3.07 3.22 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 0.00 127 K 8.33 4.71 0.00 1.74 1.67 0.00 1.70 0.00 0.00 1.86 0.00 0.00 2.96 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.45 1.37 7.81 128 G 8.84 4.32 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 0.00 0.00 0.00 129 E 8.40 4.66 0.00 2.02 1.96 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 2.34 2.34 0.00 130 L 8.52 4.70 0.00 1.61 1.61 0.59 0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 131 K 8.53 4.20 0.00 1.83 1.76 0.00 1.85 0.00 0.00 1.72 0.00 0.00 2.99 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.47 1.49 7.81 *133 C 8.65 4.62 0.00 2.94 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.