NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 E 4.3027 8.4449 121.4771 55.6794 31.4690 175.7297 4 Q 4.5566 7.6467 115.0191 52.6224 31.2608 173.0516 5 P 4.3212 0.0000 0.0000 62.2592 32.9814 176.4453 6 I 3.7946 7.2556 122.3239 64.6031 37.4110 176.6353 7 F 4.7126 7.4390 118.0149 57.5708 42.4533 172.6803 8 T 4.8825 7.7046 119.5965 60.9010 70.7931 172.2260 9 T 4.5711 8.6630 120.9061 61.2877 71.7116 171.7718 10 R 5.2050 8.3868 120.0222 54.5362 33.3549 175.0113 11 A 4.3480 8.5036 123.2721 51.3885 23.5118 174.4697 12 H 4.6435 8.8086 116.6669 54.8576 30.7371 174.9486 13 V 4.7206 7.9224 122.3086 61.2243 33.8601 174.5027 14 F 5.6155 9.3006 125.4922 56.1356 43.8222 173.5763 15 Q 5.9514 9.3248 117.3342 55.5141 32.5180 173.3347 16 I 4.5653 7.9428 119.9826 59.3527 40.9782 174.0885 *23 N 4.4469 8.4480 120.5427 52.8865 39.5619 173.8926 24 W 4.7104 8.3286 121.9214 56.9031 30.0589 176.1046 25 V 4.8701 8.7879 119.5658 59.2911 34.4185 172.8594 26 P 4.6145 0.0000 0.0000 63.1040 31.4245 175.7793 27 A 4.8001 8.9735 124.1443 51.5289 19.5820 176.4853 28 S 4.8245 7.4845 109.7018 55.7853 65.7950 175.4670 29 K 4.1715 8.4628 122.2995 59.6644 32.2341 176.5815 30 Q 4.5538 6.8719 111.5435 55.5548 31.6024 173.2649 31 A 4.0208 8.4810 121.4198 52.6257 19.1412 177.8381 32 V 4.4520 8.4144 115.2029 59.3748 36.1145 174.8184 33 T 4.7401 8.2924 118.1419 63.3804 69.4318 174.9412 34 V 4.4847 9.0487 125.5747 61.3506 34.5766 174.4492 35 S 5.2878 9.0938 122.8907 57.0635 67.2459 172.3938 36 Y 4.9822 8.8356 119.9189 56.8173 39.7565 174.9982 37 F 5.2518 9.7017 121.8878 55.8770 43.7576 173.1230 38 Y 4.5719 8.8109 122.2422 56.3300 40.0825 174.8575 39 D 4.3155 8.6865 128.2653 52.9113 40.9558 177.2502 40 V 2.9474 7.8777 118.9195 64.5683 31.8777 178.0008 41 T 3.9226 7.8071 114.3345 66.9684 68.1488 175.3214 42 R 4.1088 7.9283 116.2020 55.8889 31.0720 176.1317 43 N 4.1019 7.4791 114.8684 52.4729 36.2099 172.7639 44 S 4.7273 6.8159 112.0089 58.1090 66.5716 176.1907 45 Y 5.1062 8.3813 118.1399 56.9868 40.2122 174.6478 46 R 5.1135 9.5159 122.6358 54.7212 33.8798 173.9413 47 I 4.5615 8.9215 127.7370 60.4384 38.7274 174.7638 48 I 5.1714 9.3234 128.3243 59.5883 40.7260 174.8000 49 S 5.0687 9.1387 120.3747 56.9638 65.8207 173.0049 50 V 4.8423 8.5128 119.4019 59.8991 34.6089 175.6171 51 D 4.5229 9.3466 122.9788 53.1768 42.9351 176.7913 52 G 3.9862 8.1932 118.8743 46.3457 0.0000 173.2244 53 A 4.2998 8.8510 128.0278 52.1569 18.8860 177.7494 54 K 4.6362 7.7325 114.8013 54.5216 35.4285 175.7258 55 V 4.5406 8.2806 120.4791 60.3780 32.0924 175.5731 56 I 4.3219 8.4559 118.9529 61.5156 38.8055 176.0580 57 I 4.3763 7.4929 123.9737 59.3661 41.1088 174.9138 58 N 5.5008 8.5170 125.3772 52.6140 38.7819 173.0305 59 S 5.1181 8.9448 116.2262 56.8728 65.0401 173.5693 60 T 4.7518 8.7536 124.6587 63.3420 69.2326 174.2160 61 I 4.2970 8.3574 128.5165 60.3174 38.1939 175.8130 62 T 4.5935 8.3319 117.0626 58.9318 71.1626 173.6848 63 P 4.2700 0.0000 0.0000 65.6175 31.2912 177.3996 64 N 4.7183 8.1031 112.2577 53.4173 37.8738 174.8385 65 M 4.6312 7.8023 119.4177 55.1292 32.7582 175.7387 66 T 4.8195 8.5154 111.4204 59.8170 71.7535 172.2522 67 F 4.7607 8.7150 127.1591 57.2333 40.4836 174.5795 68 T 4.5178 8.6194 124.0463 61.5670 70.6324 173.7725 69 K 4.5144 8.7808 128.7939 56.0992 32.5920 176.2810 70 T 4.4891 7.9732 116.6921 60.8201 69.1177 173.4863 71 S 4.5611 7.2832 114.6049 58.3586 64.7101 176.1000 72 Q 4.2780 8.2106 120.9857 57.7988 28.7717 177.6437 73 K 4.9054 8.1437 114.4983 55.7545 35.7102 175.3070 74 F 5.2493 8.3395 122.5405 56.6190 43.0544 173.5502 75 G 4.4961 7.8844 110.7101 45.0983 0.0000 171.0898 76 Q 5.3557 8.0432 117.8468 54.7146 33.0194 173.4899 77 W 5.5478 8.9829 114.5077 56.2190 31.7344 173.4122 78 A 4.5936 8.9793 125.1420 51.3198 19.7771 176.8618 79 D 4.9815 8.8225 121.6594 51.9014 41.7587 176.4391 80 S 4.1453 8.7772 121.8439 61.3582 63.1452 177.1194 81 R 4.0442 7.5748 118.0284 58.5371 29.4765 176.5952 82 A 4.5756 8.3176 118.4236 50.8392 19.7786 175.6718 83 N 4.7810 8.3912 113.5596 54.4625 38.2814 173.4038 84 T 4.5455 7.1746 107.7578 59.7812 71.7661 172.0910 85 V 4.4521 7.5687 125.0962 61.1437 34.0164 174.3415 86 F 5.4614 8.4093 126.2340 55.8672 41.2971 175.0334 87 G 4.0389 9.6164 109.4824 44.2486 0.0000 171.2858 88 L 5.0466 8.1568 123.5517 52.4184 45.3824 175.6226 89 G 4.4512 8.9468 111.0508 44.6933 0.0000 172.5751 90 F 5.2266 9.3208 125.4510 55.9785 40.7495 176.6300 91 S 4.5184 9.0499 114.6640 59.5447 63.5111 174.2106 92 S 4.8398 8.0633 115.2895 55.6203 66.1308 174.8962 93 E 4.3311 8.6794 122.3217 58.8497 29.1040 178.9538 94 L 3.8926 7.9380 120.0567 58.3482 42.1463 178.5603 95 Q 4.0243 8.0847 117.4308 59.2147 28.8091 179.3451 96 L 2.6352 7.0740 119.5270 57.8919 42.0551 179.1114 97 T 3.7549 7.7665 115.5857 66.7727 68.4895 176.8405 98 K 3.7932 8.1963 120.4017 59.1996 31.9855 179.3279 99 F 3.7765 8.0897 120.9311 61.0942 39.4799 177.2225 100 A 3.5993 7.8767 120.3556 54.7360 17.9694 179.6245 101 E 3.7281 7.8291 117.2761 59.4801 29.5686 179.4810 102 K 3.3069 7.1566 118.3756 59.1465 31.8883 178.9706 103 F 3.7500 7.5759 120.7061 61.2071 39.2042 176.8705 104 Q 3.9948 7.8090 118.6588 59.3309 28.8981 178.0665 105 E 3.7309 8.1060 119.6510 59.4538 29.3163 179.2633 106 V 3.0192 7.5850 117.3260 66.1476 31.4135 177.8199 107 R 3.8834 7.6233 117.3877 59.0420 30.2772 177.8292 108 E 4.0002 8.0318 119.0228 58.7430 30.5696 177.3834 109 A 4.5175 8.0784 120.5163 50.6522 16.0791 177.1351 110 A 4.7012 7.5274 121.6967 51.7420 24.3143 177.0200 111 R 4.2478 7.5707 115.9257 56.1626 29.5352 175.7187 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 E 8.44 4.30 0.00 1.96 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 2.21 2.36 0.00 4 Q 7.65 4.56 0.00 2.14 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.70 6.86 0.00 0.00 0.00 0.00 0.00 2.28 2.39 0.00 5 P 0.00 4.32 0.00 1.82 1.32 0.00 3.66 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 2.10 0.00 6 I 7.26 3.79 2.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.58 0.81 0.00 0.00 7 F 7.44 4.71 0.00 2.80 2.65 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 8 T 7.70 4.88 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 1.05 0.00 0.00 9 T 8.66 4.57 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 1.61 0.00 0.00 10 R 8.39 5.20 0.00 1.68 1.72 0.00 3.28 0.00 0.00 3.19 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.57 0.00 11 A 8.50 4.35 0.31 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 12 H 8.81 4.64 0.00 3.24 3.06 0.00 5.78 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 V 7.92 4.72 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 0.96 0.00 0.00 0.80 0.00 0.00 14 F 9.30 5.62 0.00 2.87 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 15 Q 9.32 5.95 0.00 2.14 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.59 0.00 0.00 0.00 0.00 0.00 2.36 2.21 0.00 16 I 7.94 4.57 1.40 0.00 0.00 -0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.29 -0.36 0.59 0.00 0.00 *23 N 8.45 4.45 0.00 2.65 2.73 0.00 0.00 6.99 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 24 W 8.33 4.71 0.00 3.25 3.17 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 25 V 8.79 4.87 2.17 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 0.98 0.00 0.00 1.00 0.00 0.00 26 P 0.00 4.61 0.00 2.03 2.15 0.00 3.85 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.06 0.00 27 A 8.97 4.80 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 28 S 7.48 4.82 0.00 3.91 3.82 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 29 K 8.46 4.17 0.00 1.70 1.90 0.00 1.73 0.00 0.00 1.74 0.00 0.00 2.97 0.00 0.00 3.33 0.00 0.00 0.00 0.00 1.46 1.54 7.81 30 Q 6.87 4.55 0.00 1.89 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.83 0.00 0.00 0.00 0.00 0.00 2.22 2.30 0.00 31 A 8.48 4.02 1.08 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 0.00 0.00 0.00 0.00 0.00 32 V 8.41 4.45 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 0.82 0.00 0.00 0.87 0.00 0.00 33 T 8.29 4.74 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 1.26 0.00 0.00 34 V 9.05 4.48 2.17 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 1.24 0.00 0.00 0.87 0.00 0.00 35 S 9.09 5.29 0.00 3.71 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 36 Y 8.84 4.98 0.00 2.86 2.90 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 0.00 0.00 0.00 37 F 9.70 5.25 0.00 2.94 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 38 Y 8.81 4.57 0.00 2.66 2.85 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 0.00 0.00 0.00 39 D 8.69 4.32 0.00 2.62 2.46 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 0.00 0.00 0.00 0.00 40 V 7.88 2.95 1.95 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 0.67 0.00 0.00 0.79 0.00 0.00 41 T 7.81 3.92 4.31 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 1.16 0.00 0.00 42 R 7.93 4.11 0.00 1.73 1.94 0.00 3.50 0.00 0.00 3.22 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.58 0.00 43 N 7.48 4.10 0.00 2.85 2.89 0.00 0.00 6.80 7.04 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 44 S 6.82 4.73 0.00 3.90 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 45 Y 8.38 5.11 0.00 3.03 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 46 R 9.52 5.11 0.00 1.90 1.83 0.00 3.41 0.00 0.00 3.24 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.71 0.00 47 I 8.92 4.56 1.86 0.00 0.00 0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.07 -0.03 0.91 0.00 0.00 48 I 9.32 5.17 2.17 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 1.28 0.95 0.00 0.00 49 S 9.14 5.07 0.00 3.85 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 50 V 8.51 4.84 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 0.76 0.00 0.00 0.94 0.00 0.00 51 D 9.35 4.52 0.00 2.60 2.46 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 0.00 0.00 0.00 0.00 52 G 8.19 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 0.00 0.00 0.00 53 A 8.85 4.30 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 54 K 7.73 4.64 0.00 1.94 1.88 0.00 1.30 0.00 0.00 1.70 0.00 0.00 2.92 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.30 1.44 7.81 55 V 8.28 4.54 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 0.81 0.00 0.00 1.04 0.00 0.00 56 I 8.46 4.32 1.90 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 1.35 0.62 0.98 0.00 0.00 57 I 7.49 4.38 1.79 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.43 0.44 0.79 0.00 0.00 58 N 8.52 5.50 0.00 2.74 2.77 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 59 S 8.94 5.12 0.00 4.40 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 60 T 8.75 4.75 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 1.27 0.00 0.00 61 I 8.36 4.30 1.64 0.00 0.00 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.15 0.08 0.00 0.00 62 T 8.33 4.59 4.29 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 1.28 0.00 0.00 63 P 0.00 4.27 0.00 2.09 2.19 0.00 3.71 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.10 0.00 64 N 8.10 4.72 0.00 2.89 2.98 0.00 0.00 6.04 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 65 M 7.80 4.63 0.00 2.49 2.39 0.00 0.00 0.00 0.00 0.00 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.78 2.73 0.00 66 T 8.52 4.82 4.36 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 1.33 0.00 0.00 67 F 8.72 4.76 0.00 1.51 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 68 T 8.62 4.52 4.19 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 0.00 0.00 0.00 1.22 0.00 0.00 69 K 8.78 4.51 0.00 1.88 1.79 0.00 1.82 0.00 0.00 1.81 0.00 0.00 3.04 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.67 1.57 7.81 70 T 7.97 4.49 4.31 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 1.38 0.00 0.00 71 S 7.28 4.56 0.00 3.82 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 72 Q 8.21 4.28 0.00 2.23 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.82 6.63 0.00 0.00 0.00 0.00 0.00 2.65 2.57 0.00 73 K 8.14 4.91 0.00 1.79 2.03 0.00 1.66 0.00 0.00 1.78 0.00 0.00 2.81 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.35 1.43 7.81 74 F 8.34 5.25 0.00 3.09 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 75 G 7.88 4.50 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 0.00 0.00 0.00 76 Q 8.04 5.36 0.00 2.46 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.63 0.00 0.00 0.00 0.00 0.00 2.40 2.34 0.00 77 W 8.98 5.55 0.00 3.65 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 78 A 8.98 4.59 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 79 D 8.82 4.98 0.00 2.99 2.65 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 80 S 8.78 4.15 0.00 3.99 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 81 R 7.57 4.04 0.00 1.98 2.24 0.00 3.28 0.00 0.00 3.28 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.65 0.00 82 A 8.32 4.58 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 83 N 8.39 4.78 0.00 2.73 2.81 0.00 0.00 6.79 7.49 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 84 T 7.17 4.55 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 0.68 0.00 0.00 85 V 7.57 4.45 1.74 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 0.98 0.00 0.00 0.77 0.00 0.00 86 F 8.41 5.46 0.00 1.51 1.75 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 87 G 9.62 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 0.00 0.00 0.00 88 L 8.16 5.05 0.00 1.41 0.87 0.47 0.77 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 89 G 8.95 4.45 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 F 9.32 5.23 0.00 2.98 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 S 9.05 4.52 0.00 4.04 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 92 S 8.06 4.84 0.00 3.95 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 93 E 8.68 4.33 0.00 2.05 2.04 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 2.62 2.25 0.00 94 L 7.94 3.89 0.00 1.72 1.67 0.94 0.96 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 95 Q 8.08 4.02 0.00 2.26 2.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.58 0.00 0.00 0.00 0.00 0.00 2.52 2.48 0.00 96 L 7.07 2.64 0.00 1.39 1.65 1.02 0.96 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 97 T 7.77 3.75 4.35 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 1.16 0.00 0.00 98 K 8.20 3.79 0.00 1.89 1.72 0.00 1.70 0.00 0.00 1.59 0.00 0.00 2.98 0.00 0.00 3.23 0.00 0.00 0.00 0.00 1.40 1.59 7.81 99 F 8.09 3.78 0.00 3.30 2.90 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 0.00 0.00 0.00 100 A 7.88 3.60 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 0.00 101 E 7.83 3.73 0.00 1.89 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 2.41 0.00 102 K 7.16 3.31 0.00 0.79 0.74 0.00 0.91 0.00 0.00 1.10 0.00 0.00 2.56 0.00 0.00 2.71 0.00 0.00 0.00 0.00 0.45 0.24 7.81 103 F 7.58 3.75 0.00 2.75 2.90 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 0.00 0.00 0.00 104 Q 7.81 3.99 0.00 2.25 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.58 0.00 0.00 0.00 0.00 0.00 2.31 2.38 0.00 105 E 8.11 3.73 0.00 1.78 1.73 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 2.14 2.35 0.00 106 V 7.58 3.02 1.77 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 0.50 0.00 0.00 0.04 0.00 0.00 107 R 7.62 3.88 0.00 1.88 2.02 0.00 3.70 0.00 0.00 3.35 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.76 0.00 108 E 8.03 4.00 0.00 2.18 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 2.25 2.29 0.00 109 A 8.08 4.52 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 0.00 110 A 7.53 4.70 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 0.00 111 R 7.57 4.25 0.00 1.97 1.89 0.00 3.11 0.00 0.00 3.27 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.53 0.00 * Residues marked with a * may have inaccurate shift predictions.