NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 10 S 4.3622 8.3349 115.3925 58.1164 64.3063 173.5836 11 Y 4.1713 8.6798 120.0540 60.5146 38.3350 174.5679 12 A 4.6334 7.8429 116.3129 51.1310 23.8000 175.4446 13 R 5.1268 8.5371 120.3400 55.2994 33.0577 174.5611 14 V 4.7230 9.1263 118.7031 59.8445 36.7855 174.5291 15 R 5.1020 8.6636 121.2533 55.0031 31.2996 175.6013 16 A 4.6606 8.9433 124.9326 50.5056 23.8482 174.4420 17 V 4.3543 8.3657 119.4944 61.3227 33.0697 175.4632 18 V 4.1369 8.3760 128.5722 63.2960 32.5713 174.5731 19 M 5.3614 8.9095 126.9300 54.1315 35.2759 174.8584 20 T 4.8531 9.0169 114.2984 60.4317 71.5125 173.3696 21 R 3.6408 7.9236 124.9812 56.3521 30.7098 176.6497 22 D 4.9033 7.7348 122.5224 52.4208 41.3944 176.2459 23 D 4.5413 8.4426 120.3811 53.7547 39.8610 176.2885 24 S 4.4656 7.9102 115.7596 57.4644 64.1339 174.4465 25 S 4.2131 8.5051 114.9214 61.1533 62.8062 175.8083 26 G 4.0909 7.7954 104.5906 45.4232 0.0000 172.3183 27 G 4.1169 8.2214 108.1871 45.1416 0.0000 173.1983 28 W 5.3533 8.6001 119.1238 54.6415 32.7971 174.8217 29 L 4.9001 8.9342 122.5322 52.5881 45.5038 175.7427 30 Q 4.4499 8.4281 119.7845 55.4499 30.0342 175.8481 31 L 4.0714 9.1536 127.4330 56.3460 42.4773 177.3229 32 G 3.6362 9.6971 113.0954 46.3366 0.0000 174.1690 33 G 3.8651 7.9798 106.7920 44.6171 0.0000 175.8144 34 G 3.7225 7.5664 105.6768 46.7167 0.0000 174.4639 35 G 4.0910 8.5648 107.5646 45.2935 0.0000 172.5607 36 L 4.5807 7.9952 118.5382 54.3219 43.3118 176.2592 37 S 5.0982 9.0085 117.7471 56.6417 67.1010 173.3432 38 S 4.6022 9.0414 118.8931 58.0234 63.4023 172.8691 39 V 4.9712 9.2899 128.3791 61.5373 33.6816 174.2982 40 T 5.2373 9.2887 124.8578 61.7857 72.0469 173.0973 41 V 4.9350 8.8616 126.1180 61.3419 33.5061 174.6907 42 S 5.1250 9.3728 124.0320 57.4825 67.1528 173.2962 43 K 4.8537 8.4792 126.1147 53.4785 33.4947 178.0687 *44 T 4.1195 8.4429 116.3378 60.4306 70.3087 171.9186 *53 T 4.0722 8.0049 113.9969 60.4963 70.0997 172.5074 54 E 4.8797 8.1895 126.3000 53.3360 33.6403 174.2658 55 F 5.0338 8.8844 123.5467 55.6781 41.9744 173.8502 56 L 5.1953 9.0814 126.1473 53.1432 45.5330 175.0635 57 V 4.8409 8.9595 126.2193 61.7034 33.4745 173.7875 58 H 5.4015 9.5852 128.3009 54.3000 32.9891 172.1498 59 G 4.4173 9.2698 113.0667 44.3276 0.0000 170.9927 60 E 5.0712 8.8761 126.9732 53.9096 32.3619 175.1070 61 R 4.4678 9.0257 128.6092 55.9781 29.7907 177.5334 62 L 4.0614 9.0735 127.1518 57.8127 41.9387 179.8387 63 R 4.1798 7.9444 114.1891 58.6734 29.6089 177.0043 64 D 4.6198 7.2983 110.4015 52.1832 41.1778 175.3254 65 K 3.9806 8.4297 117.1535 57.7928 30.4754 175.4375 66 T 4.0714 7.9010 116.6581 63.5326 69.4783 173.9400 67 V 4.3268 8.4767 126.6663 63.0475 31.6764 175.7786 68 V 4.4554 8.7969 120.8902 61.1014 33.3718 175.8426 69 L 4.6534 7.6604 123.3566 53.8234 45.4987 174.4150 70 E 5.0775 9.0019 127.2577 55.0080 31.1474 171.9143 71 C 4.6409 9.3888 125.4189 56.8502 34.3022 172.5264 72 V 4.3982 8.4321 127.2969 62.3398 31.7290 175.7267 73 L 4.3691 9.0552 128.9767 54.8644 42.0548 176.8496 74 R 4.7629 8.3376 119.7127 54.1401 33.9962 176.8746 75 R 3.8531 8.6175 119.2462 59.1018 30.2095 177.3538 76 D 4.8094 7.9419 115.7147 52.9803 39.6239 176.2759 77 L 4.4964 7.4077 119.6459 56.5033 41.4247 176.2442 78 V 4.5075 8.8717 120.9549 61.5266 33.7209 173.7988 79 Y 5.1178 8.7095 128.0466 55.8001 41.7735 173.6352 80 N 4.7173 8.9085 125.4511 51.7882 41.4852 173.8379 81 K 4.7062 8.5436 127.7809 54.9138 30.9418 176.8424 82 V 3.6967 7.6939 122.2762 65.2423 32.1746 175.6699 83 T 4.8373 7.9334 107.8061 59.1001 71.9244 172.5591 84 P 4.5667 0.0000 0.0000 64.6311 31.5243 177.6261 85 T 4.9739 8.3722 107.8476 60.8924 70.9581 173.1096 86 F 5.4590 8.5036 124.4535 57.6614 42.4439 172.9262 87 H 5.2357 8.7908 123.0584 54.0757 32.4651 172.7321 88 H 5.1325 8.1164 116.1538 53.6547 32.3562 171.8967 89 W 5.7841 8.8240 115.8251 55.3939 32.3592 173.5794 90 R 5.2575 9.6407 120.2853 55.0132 33.5925 173.6230 91 I 4.7445 8.9020 126.5224 59.3706 40.4493 176.3925 92 G 3.8300 9.3670 120.9165 47.8432 0.0000 174.0692 93 D 4.8675 9.0449 121.4601 52.2739 40.6721 175.9094 94 K 4.2531 8.0888 120.6964 56.2241 32.9046 176.0419 95 K 4.9609 7.8762 122.6681 54.4601 35.0334 175.3751 96 F 4.7658 8.5670 121.1456 55.9536 43.4394 173.9088 97 G 3.9336 7.9522 106.3176 45.4407 0.0000 171.7030 98 L 5.1222 8.5691 119.2119 53.1002 46.2830 175.8381 99 T 4.8466 8.5758 120.2438 62.3167 69.9639 174.3867 100 F 4.8825 8.9811 126.0879 56.6333 40.0809 176.5088 101 Q 4.2699 8.9732 119.4278 57.7744 29.4812 176.8461 102 S 4.6851 7.6477 111.5062 55.6030 66.7906 173.5302 103 P 4.6005 0.0000 0.0000 65.0895 31.0352 178.8346 104 A 3.9689 7.9492 119.1594 55.2952 18.2758 179.2166 105 D 4.2755 8.1920 117.1108 57.4127 40.8197 178.8839 106 A 2.0000 7.4187 120.6983 54.5653 18.1794 179.9365 107 R 3.7862 7.9678 116.3330 59.3307 30.1225 179.1964 108 A 3.9471 8.1096 120.6813 54.9288 18.2506 179.5681 109 F 3.9715 8.3735 119.4450 61.3620 39.4775 176.8017 110 D 3.9902 8.3593 117.8756 57.4634 40.9284 178.4320 111 R 3.8512 8.1061 118.6734 59.1832 29.9531 179.3425 112 G 3.4403 8.0199 105.4320 47.6502 0.0000 175.7904 113 I 3.1913 7.3324 122.5957 64.0502 37.0344 178.7379 114 R 3.6150 7.6664 118.9286 59.0826 29.7974 179.1763 115 R 3.7095 7.9501 118.4211 59.1603 30.0053 178.3942 116 A 3.0447 7.3179 120.6748 54.9270 18.2600 179.7202 117 I 3.2757 7.4430 118.3811 64.1054 36.8413 178.1356 118 E 3.7850 7.7453 119.4233 59.5344 29.4885 178.4613 119 D 4.4638 7.5931 117.5974 57.0644 40.9925 178.1642 120 L 3.6277 7.0682 120.4113 56.7057 42.1581 177.6229 121 S 4.2956 7.3897 115.2752 58.3716 63.0954 173.8960 122 Q 4.5342 8.7151 122.0694 55.1469 30.5241 175.6922 123 G 3.7289 7.9985 112.2066 45.5354 0.0000 173.3404 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 10 S 8.33 4.36 0.00 4.20 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 11 Y 8.68 4.17 0.00 2.92 3.02 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 12 A 7.84 4.63 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 13 R 8.54 5.13 0.00 1.84 1.82 0.00 3.22 0.00 0.00 3.27 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.74 0.00 14 V 9.13 4.72 2.26 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 0.87 0.00 0.00 1.21 0.00 0.00 15 R 8.66 5.10 0.00 1.72 1.89 0.00 3.20 0.00 0.00 3.25 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.66 0.00 16 A 8.94 4.66 1.01 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 17 V 8.37 4.35 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 1.08 0.00 0.00 0.94 0.00 0.00 18 V 8.38 4.14 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 0.97 0.00 0.00 0.94 0.00 0.00 19 M 8.91 5.36 0.00 2.09 1.99 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 2.50 2.74 0.00 20 T 9.02 4.85 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 1.17 0.00 0.00 21 R 7.92 3.64 0.00 1.20 1.31 0.00 2.34 0.00 0.00 2.25 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.77 0.00 22 D 7.73 4.90 0.00 2.68 2.59 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 23 D 8.44 4.54 0.00 2.74 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 24 S 7.91 4.47 0.00 3.98 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 25 S 8.51 4.21 0.00 3.98 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 26 G 7.80 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 0.00 0.00 0.00 27 G 8.22 4.12 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 W 8.60 5.35 0.00 2.88 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 29 L 8.93 4.90 0.00 1.50 1.51 0.88 1.01 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 30 Q 8.43 4.45 0.00 2.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 7.08 0.00 0.00 0.00 0.00 0.00 2.41 2.32 0.00 31 L 9.15 4.07 0.00 1.71 1.62 0.99 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 32 G 9.70 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 33 G 7.98 3.87 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 0.00 0.00 0.00 34 G 7.57 3.72 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 0.00 35 G 8.56 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 0.00 0.00 0.00 36 L 8.00 4.58 0.00 1.62 1.60 0.97 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 37 S 9.01 5.10 0.00 3.69 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 38 S 9.04 4.60 0.00 3.93 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 39 V 9.29 4.97 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 1.14 0.00 0.00 0.95 0.00 0.00 40 T 9.29 5.24 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 1.32 0.00 0.00 41 V 8.86 4.93 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 0.92 0.00 0.00 0.56 0.00 0.00 42 S 9.37 5.13 0.00 3.86 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 43 K 8.48 4.85 0.00 1.54 1.62 0.00 1.73 0.00 0.00 0.61 0.00 0.00 2.69 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.27 0.82 7.81 *44 T 8.44 4.12 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 *53 T 8.00 4.07 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 54 E 8.19 4.88 0.00 1.96 1.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.35 0.00 55 F 8.88 5.03 0.00 2.99 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 56 L 9.08 5.20 0.00 1.74 1.49 1.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 57 V 8.96 4.84 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 1.31 0.00 0.00 0.82 0.00 0.00 58 H 9.59 5.40 0.00 3.30 3.18 0.00 5.77 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 G 9.27 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 0.00 0.00 0.00 0.00 60 E 8.88 5.07 0.00 2.01 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 2.21 2.38 0.00 61 R 9.03 4.47 0.00 1.97 1.97 0.00 3.20 0.00 0.00 3.27 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.46 0.00 62 L 9.07 4.06 0.00 1.75 1.71 0.94 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 63 R 7.94 4.18 0.00 1.92 2.07 0.00 3.00 0.00 0.00 3.28 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.62 0.00 64 D 7.30 4.62 0.00 2.73 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 65 K 8.43 3.98 0.00 1.96 1.96 0.00 1.70 0.00 0.00 1.70 0.00 0.00 2.79 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.39 1.41 7.81 66 T 7.90 4.07 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 1.23 0.00 0.00 67 V 8.48 4.33 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 0.82 0.00 0.00 1.03 0.00 0.00 68 V 8.80 4.46 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 0.72 0.00 0.00 0.95 0.00 0.00 69 L 7.66 4.65 0.00 1.82 1.60 1.11 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 70 E 9.00 5.08 0.00 2.32 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 2.19 1.87 0.00 71 C 9.39 4.64 0.00 2.13 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 72 V 8.43 4.40 2.15 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 0.95 0.00 0.00 0.98 0.00 0.00 73 L 9.06 4.37 0.00 1.61 1.50 0.74 0.71 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 74 R 8.34 4.76 0.00 2.04 1.79 0.00 3.25 0.00 0.00 3.34 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.18 0.00 75 R 8.62 3.85 0.00 1.77 1.95 0.00 3.13 0.00 0.00 3.21 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.56 0.00 76 D 7.94 4.81 0.00 2.80 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 77 L 7.41 4.50 0.00 2.02 1.83 1.10 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 78 V 8.87 4.51 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 1.10 0.00 0.00 1.01 0.00 0.00 79 Y 8.71 5.12 0.00 3.01 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 80 N 8.91 4.72 0.00 2.59 2.14 0.00 0.00 6.80 6.54 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 81 K 8.54 4.71 0.00 1.77 1.74 0.00 1.78 0.00 0.00 1.77 0.00 0.00 2.89 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.16 1.50 7.81 82 V 7.69 3.70 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 0.75 0.00 0.00 83 T 7.93 4.84 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 1.35 0.00 0.00 84 P 0.00 4.57 0.00 2.23 2.16 0.00 3.59 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.11 0.00 85 T 8.37 4.97 4.55 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 1.28 0.00 0.00 86 F 8.50 5.46 0.00 2.99 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 87 H 8.79 5.24 0.00 3.30 2.76 0.00 5.63 0.00 0.00 0.00 0.00 6.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 H 8.12 5.13 0.00 2.80 2.09 0.00 5.42 0.00 0.00 0.00 0.00 6.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 W 8.82 5.78 0.00 3.64 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 90 R 9.64 5.26 0.00 1.96 1.89 0.00 3.18 0.00 0.00 3.20 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.84 0.00 91 I 8.90 4.74 2.16 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.99 1.04 0.00 0.00 92 G 9.37 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 9.04 4.87 0.00 2.68 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 94 K 8.09 4.25 0.00 2.06 1.59 0.00 1.51 0.00 0.00 1.59 0.00 0.00 2.91 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.47 1.63 7.81 95 K 7.88 4.96 0.00 1.41 1.68 0.00 1.45 0.00 0.00 1.57 0.00 0.00 2.97 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.29 1.45 7.81 96 F 8.57 4.77 0.00 1.51 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 0.00 0.00 0.00 0.00 97 G 7.95 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 0.00 0.00 0.00 98 L 8.57 5.12 0.00 0.59 0.47 0.10 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 99 T 8.58 4.85 4.14 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 0.00 0.00 1.23 0.00 0.00 100 F 8.98 4.88 0.00 2.89 3.02 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 0.00 101 Q 8.97 4.27 0.00 2.11 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.71 0.00 0.00 0.00 0.00 0.00 2.39 2.56 0.00 102 S 7.65 4.69 0.00 4.02 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 0.00 103 P 0.00 4.60 0.00 2.17 2.15 0.00 3.89 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 2.13 2.04 0.00 104 A 7.95 3.97 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 0.00 105 D 8.19 4.28 0.00 3.04 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 0.00 106 A 7.42 2.00 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 R 7.97 3.79 0.00 1.99 1.95 0.00 3.11 0.00 0.00 3.15 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.77 0.00 108 A 8.11 3.95 1.39 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 0.00 0.00 0.00 0.00 0.00 0.00 109 F 8.37 3.97 0.00 3.33 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 0.00 110 D 8.36 3.99 0.00 2.93 2.83 0.00 0.00 0.00 0.00 0.00 0.00 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 8.11 3.85 0.00 2.11 1.89 0.00 3.30 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.53 0.00 112 G 8.02 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 0.00 0.00 0.00 113 I 7.33 3.19 1.31 0.00 0.00 0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.59 0.15 0.39 0.00 0.00 114 R 7.67 3.62 0.00 1.76 1.78 0.00 2.97 0.00 0.00 2.91 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.46 0.00 115 R 7.95 3.71 0.00 1.95 1.92 0.00 3.30 0.00 0.00 3.20 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.83 0.00 116 A 7.32 3.04 0.74 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 0.00 0.00 117 I 7.44 3.28 1.74 0.00 0.00 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.72 0.74 0.00 0.00 118 E 7.75 3.79 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 2.26 2.28 0.00 119 D 7.59 4.46 0.00 2.87 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 0.00 120 L 7.07 3.63 0.00 0.27 1.25 0.93 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 121 S 7.39 4.30 0.00 3.80 3.71 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 0.00 122 Q 8.72 4.53 0.00 1.98 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.85 0.00 0.00 0.00 0.00 0.00 2.44 2.27 0.00 123 G 8.00 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 * Residues marked with a * may have inaccurate shift predictions.