NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 R 4.1958 8.1127 119.7069 56.9404 30.2373 174.4184 3 V 3.3628 8.3051 122.4871 61.6388 29.9661 171.4934 4 K 4.5757 8.3204 117.6316 55.7346 34.8046 175.8444 5 M 4.3897 7.9400 119.5127 55.4552 32.4576 174.7986 6 H 5.0459 8.5635 115.7265 54.1497 31.8054 174.8073 7 V 3.4808 8.0084 119.6741 65.2067 31.6569 175.1882 8 K 4.8362 7.2517 115.9627 54.3972 36.4661 175.8812 9 K 4.4107 7.7528 122.8691 56.3655 33.2114 179.7316 10 G 4.1855 8.6716 111.0255 46.1790 0.0000 171.1052 11 D 5.0564 7.4398 123.2327 53.4475 44.0076 176.3350 12 T 5.0252 8.1697 113.2074 61.8345 71.6630 173.8462 13 V 4.7768 8.6222 123.6135 60.3431 35.5220 173.7455 14 L 4.5998 8.9888 124.4110 54.5667 44.2261 175.6033 15 V 4.9427 8.1596 122.0049 60.7053 32.0910 174.6201 16 A 4.6478 8.4283 123.7309 50.6673 18.7326 179.1275 17 S 4.6042 8.2686 109.1808 59.0268 62.5472 174.2987 18 G 3.8542 8.7226 104.2026 45.7917 0.0000 173.0861 19 K 4.1260 8.9424 125.0534 58.0244 33.1365 176.1056 20 Y 4.5613 7.5266 113.9096 57.6849 39.1383 175.1353 21 K 3.6470 8.0922 120.7089 57.8494 32.3184 173.8083 22 G 3.8578 9.5755 120.6945 46.1914 0.0000 173.6273 23 R 4.2995 8.6677 119.9397 57.0496 34.3345 177.1604 24 V 3.2655 7.7150 113.9782 63.4905 29.9969 173.4846 25 G 4.2663 8.5496 119.0361 43.7370 0.0000 173.3992 26 K 4.5531 8.5739 122.8929 56.7401 33.2789 175.9584 27 V 3.5864 7.4979 115.2343 62.5044 33.6339 177.1356 28 K 4.6100 8.4154 121.6232 55.2867 33.7415 175.9921 29 E 3.4767 8.1470 111.6931 57.4095 25.9826 174.8222 30 V 3.9369 7.6280 122.1810 62.2391 32.2264 174.8243 31 L 4.0908 7.6303 124.9580 54.4272 41.6663 175.4706 32 P 4.8825 0.0000 0.0000 62.7183 32.5270 177.4630 33 K 3.8845 8.2829 119.8614 60.1160 31.8570 178.1562 34 K 4.1150 8.0409 114.3455 56.4536 33.0118 175.6925 35 Y 3.5290 8.3732 120.1502 58.5195 37.2673 167.1550 36 A 5.1134 7.2450 120.6611 50.8731 24.0925 175.2880 37 V 4.5343 8.2657 111.0541 61.1292 35.0963 176.0695 38 I 4.3822 8.2444 118.1589 61.7097 43.6266 178.5273 39 V 3.2836 7.9717 119.7550 62.8745 31.3440 173.5120 40 E 4.6553 8.7165 113.6529 56.2494 32.3289 175.2884 41 G 3.6338 7.3990 109.7065 46.7532 0.0000 174.7684 42 V 2.6472 5.4500 112.0332 63.9215 29.3155 174.1964 43 N 4.9039 7.6532 120.8518 52.9477 40.1031 175.1588 44 I 4.6647 7.7589 118.4293 60.1497 42.5217 174.4420 45 V 4.0952 8.3946 124.6088 62.0543 31.6623 175.7111 46 K 4.3181 9.8576 132.4720 54.1723 32.4516 175.2330 47 K 2.6800 8.3943 125.1611 56.5156 32.4090 176.1951 48 A 4.6836 6.8107 124.6402 50.5879 22.0051 175.1090 49 V 4.2943 8.1499 113.3243 62.6045 36.5502 174.2098 50 R 4.3478 8.2936 118.6268 56.5982 27.6333 175.9473 51 V 3.9337 8.2145 114.0057 62.1794 31.5630 176.5359 52 S 4.6405 7.9402 114.4048 55.9522 65.5026 171.5819 53 P 4.2801 0.0000 0.0000 65.6016 31.1136 176.5123 54 K 3.3190 7.9279 116.5481 56.4954 32.0812 176.0588 55 Y 3.5775 8.3746 111.1735 58.1939 35.8523 170.9983 56 P 3.3414 0.0000 0.0000 63.9772 32.4521 179.2256 57 Q 4.6971 8.1783 125.7901 55.1618 31.8853 175.0138 58 G 3.9329 8.9443 102.7263 45.6941 0.0000 171.2808 59 G 4.3381 7.6823 102.9377 44.7635 0.0000 172.6394 60 F 4.7643 8.9308 113.5420 57.8938 41.9332 177.4849 61 I 4.1013 8.0063 119.1132 61.5421 38.3978 180.2421 62 E 3.3985 7.7073 116.1132 56.5426 31.0100 176.8963 63 K 5.0519 6.9657 121.1926 55.1840 36.8111 175.3625 64 E 4.5840 8.3563 118.0305 55.1115 30.8744 176.1530 65 A 4.2675 9.4890 124.4274 51.1089 19.2351 176.7019 66 P 4.5310 0.0000 0.0000 65.2495 31.6730 172.9132 67 L 3.6496 7.9201 130.6975 53.3823 42.4898 172.6637 68 H 4.1038 8.9008 124.6603 56.6457 29.8949 175.3570 69 A 3.8170 8.1635 130.4605 54.4785 18.1659 178.1423 70 S 4.4096 8.0741 109.9691 60.4121 62.5778 175.5994 71 K 4.2664 8.5813 118.7620 57.6714 31.8453 176.4039 72 V 4.7634 7.1767 111.6394 59.6238 35.1442 175.6172 73 R 4.6853 8.6822 121.3559 53.8546 34.0641 173.4337 74 P 4.9616 0.0000 0.0000 63.3131 32.1260 175.2116 75 I 4.8205 7.4588 111.8021 60.0989 40.8378 173.8446 76 C 4.5442 8.9218 119.4694 60.0391 34.3023 172.0312 77 P 4.0735 0.0000 0.0000 62.5693 29.5174 171.8001 78 A 4.9266 6.5090 130.4512 50.8918 17.5896 180.3899 79 C 4.4269 8.7889 117.7277 62.9283 32.6218 174.9306 80 G 3.4529 8.9414 106.8975 44.2931 0.0000 174.5672 81 K 3.8642 9.1327 135.0000 54.7174 31.9528 174.8469 82 P 4.7324 0.0000 0.0000 61.8523 30.7577 176.2475 83 T 4.4928 8.1141 116.6418 62.5653 70.3918 173.3867 84 R 4.7758 9.1776 127.8245 54.5130 34.0340 174.7695 85 V 4.8085 8.1737 112.0330 59.8402 34.7812 175.5221 86 R 4.7052 8.8926 125.8505 54.4292 31.1298 177.3446 87 K 4.1430 8.7855 124.2763 57.7187 34.4391 178.7209 88 K 3.9194 7.9497 117.0902 57.2938 30.3579 176.6197 89 F 5.1848 8.1403 125.7155 58.2873 39.4964 173.1876 90 L 4.8380 6.8086 129.1400 55.2549 42.7856 173.0896 91 E 4.8708 7.8493 119.1034 55.7295 31.8504 175.1234 92 N 4.7372 8.5386 119.8958 54.3061 40.3721 175.0580 93 G 4.3186 8.6822 113.9649 43.7532 0.0000 171.2321 94 K 4.5692 8.5000 121.4666 56.2782 33.8469 176.1312 95 K 4.8165 9.4369 124.9066 54.8588 35.3587 175.9129 96 I 4.3372 8.5099 128.3423 60.6149 38.3160 176.1231 97 R 3.8124 8.5553 120.7564 57.8083 29.7755 177.3665 98 V 3.3569 8.3387 118.5728 62.6206 30.4709 171.5343 99 C 4.6612 6.6042 129.2906 58.5676 34.5509 176.5191 100 A 4.7541 10.0245 135.0000 53.2741 19.6903 178.6866 101 K 3.7370 8.0905 127.6256 56.5164 32.4607 176.1422 *102 C 4.3630 8.5682 113.6532 58.3673 28.5244 169.4111 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 2 R 8.11 4.20 0.00 1.85 1.97 0.00 3.41 0.00 0.00 3.34 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.57 0.00 3 V 8.31 3.36 2.07 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 0.72 0.00 0.00 0.92 0.00 0.00 4 K 8.32 4.58 0.00 1.99 1.83 0.00 1.55 0.00 0.00 1.70 0.00 0.00 3.10 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.32 1.53 7.81 5 M 7.94 4.39 0.00 2.07 2.06 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 2.62 2.54 0.00 6 H 8.56 5.05 0.00 3.28 3.61 0.00 5.51 0.00 0.00 0.00 0.00 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 V 8.01 3.48 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 0.81 0.00 0.00 0.95 0.00 0.00 8 K 7.25 4.84 0.00 1.62 1.61 0.00 1.47 0.00 0.00 1.54 0.00 0.00 3.19 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.28 1.35 7.81 9 K 7.75 4.41 0.00 2.02 1.31 0.00 1.67 0.00 0.00 1.70 0.00 0.00 2.90 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.35 1.34 7.81 10 G 8.67 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 0.00 0.00 0.00 0.00 11 D 7.44 5.06 0.00 2.75 2.60 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 12 T 8.17 5.03 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 13 V 8.62 4.78 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 0.64 0.00 0.00 0.97 0.00 0.00 14 L 8.99 4.60 0.00 1.74 1.70 0.95 0.87 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 15 V 8.16 4.94 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 1.03 0.00 0.00 0.93 0.00 0.00 16 A 8.43 4.65 1.29 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 0.00 0.00 17 S 8.27 4.60 0.00 4.03 3.50 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 18 G 8.72 3.85 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 0.00 0.00 0.00 19 K 8.94 4.13 0.00 1.82 2.14 0.00 1.47 0.00 0.00 1.64 0.00 0.00 3.04 0.00 0.00 3.25 0.00 0.00 0.00 0.00 1.18 1.43 7.81 20 Y 7.53 4.56 0.00 2.97 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 21 K 8.09 3.65 0.00 1.88 1.78 0.00 1.83 0.00 0.00 1.84 0.00 0.00 2.97 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.47 1.49 7.81 22 G 9.58 3.86 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 0.00 0.00 0.00 23 R 8.67 4.30 0.00 1.93 1.98 0.00 3.42 0.00 0.00 3.20 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.77 0.00 24 V 7.72 3.27 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 0.75 0.00 0.00 0.94 0.00 0.00 25 G 8.55 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 0.00 0.00 0.00 0.00 26 K 8.57 4.55 0.00 1.72 1.70 0.00 1.81 0.00 0.00 1.62 0.00 0.00 2.72 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.53 1.41 7.81 27 V 7.50 3.59 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 1.25 0.00 0.00 0.94 0.00 0.00 28 K 8.42 4.61 0.00 1.78 1.80 0.00 1.66 0.00 0.00 1.77 0.00 0.00 3.22 0.00 0.00 3.25 0.00 0.00 0.00 0.00 1.36 1.66 7.81 29 E 8.15 3.48 0.00 1.98 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 2.22 2.32 0.00 30 V 7.63 3.94 2.07 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 0.83 0.00 0.00 0.89 0.00 0.00 31 L 7.63 4.09 0.00 1.64 1.59 0.91 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 32 P 0.00 4.88 0.00 2.13 2.14 0.00 3.72 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.92 0.00 33 K 8.28 3.88 0.00 1.78 1.94 0.00 1.74 0.00 0.00 1.71 0.00 0.00 3.01 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.46 1.49 7.81 34 K 8.04 4.11 0.00 1.77 1.88 0.00 1.91 0.00 0.00 1.63 0.00 0.00 2.95 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.45 1.43 7.81 35 Y 8.37 3.53 0.00 3.09 2.95 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 36 A 7.24 5.11 1.19 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 0.00 0.00 0.00 37 V 8.27 4.53 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 0.62 0.00 0.00 0.95 0.00 0.00 38 I 8.24 4.38 2.14 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.53 0.97 0.00 0.00 39 V 7.97 3.28 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 0.94 0.00 0.00 0.87 0.00 0.00 40 E 8.72 4.66 0.00 1.93 1.87 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 2.19 2.24 0.00 41 G 7.40 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 42 V 5.45 2.65 1.82 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 0.89 0.00 0.00 0.51 0.00 0.00 43 N 7.65 4.90 0.00 2.84 2.75 0.00 0.00 6.63 7.33 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 44 I 7.76 4.66 1.88 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 1.15 1.09 0.94 0.00 0.00 45 V 8.39 4.10 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 1.04 0.00 0.00 1.01 0.00 0.00 46 K 9.86 4.32 0.00 1.84 1.63 0.00 1.66 0.00 0.00 1.60 0.00 0.00 2.78 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.26 1.35 7.81 47 K 8.39 2.68 0.00 1.58 1.46 0.00 1.59 0.00 0.00 1.67 0.00 0.00 3.17 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.49 1.56 7.81 48 A 6.81 4.68 1.10 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 0.00 0.00 49 V 8.15 4.29 2.07 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 0.80 0.00 0.00 0.89 0.00 0.00 50 R 8.29 4.35 0.00 2.02 2.51 0.00 3.82 0.00 0.00 3.43 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.97 0.00 51 V 8.21 3.93 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 0.65 0.00 0.00 0.96 0.00 0.00 52 S 7.94 4.64 0.00 3.99 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 53 P 0.00 4.28 0.00 2.01 2.09 0.00 3.71 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.09 0.00 54 K 7.93 3.32 0.00 1.25 0.74 0.00 1.61 0.00 0.00 1.51 0.00 0.00 2.60 0.00 0.00 2.55 0.00 0.00 0.00 0.00 0.30 1.04 7.81 55 Y 8.37 3.58 0.00 3.12 3.23 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 56 P 0.00 3.34 0.00 2.14 1.94 0.00 3.76 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.20 0.00 57 Q 8.18 4.70 0.00 2.08 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.88 0.00 0.00 0.00 0.00 0.00 2.38 2.48 0.00 58 G 8.94 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 59 G 7.68 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 0.00 0.00 0.00 60 F 8.93 4.76 0.00 3.00 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 61 I 8.01 4.10 1.93 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 1.46 1.81 0.95 0.00 0.00 62 E 7.71 3.40 0.00 2.18 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 2.30 2.36 0.00 63 K 6.97 5.05 0.00 1.77 1.66 0.00 1.62 0.00 0.00 1.62 0.00 0.00 3.08 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.32 1.35 7.81 64 E 8.36 4.58 0.00 1.86 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 0.00 2.21 2.40 0.00 65 A 9.49 4.27 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 66 P 0.00 4.53 0.00 2.17 2.17 0.00 3.42 0.00 0.00 5.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.90 0.00 67 L 7.92 3.65 0.00 1.84 1.67 0.91 0.80 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 68 H 8.90 4.10 0.00 3.23 3.23 0.00 5.75 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 A 8.16 3.82 0.41 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 70 S 8.07 4.41 0.00 4.13 4.11 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 71 K 8.58 4.27 0.00 1.86 1.85 0.00 1.70 0.00 0.00 1.66 0.00 0.00 2.82 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.63 1.60 7.81 72 V 7.18 4.76 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 0.64 0.00 0.00 0.88 0.00 0.00 73 R 8.68 4.69 0.00 1.72 1.77 0.00 3.14 0.00 0.00 3.22 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.57 0.00 74 P 0.00 4.96 0.00 2.06 2.04 0.00 3.74 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 1.98 1.96 0.00 75 I 7.46 4.82 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 1.25 0.56 0.95 0.00 0.00 76 C 8.92 4.54 0.00 2.89 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 77 P 0.00 4.07 0.00 2.15 2.13 0.00 3.75 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 1.96 2.06 0.00 78 A 6.51 4.93 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 79 C 8.79 4.43 0.00 3.05 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 80 G 8.94 3.45 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 81 K 9.13 3.86 0.00 1.99 1.87 0.00 1.76 0.00 0.00 1.84 0.00 0.00 3.02 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.34 1.58 7.81 82 P 0.00 4.73 0.00 2.04 1.86 0.00 3.72 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.08 0.00 83 T 8.11 4.49 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 84 R 9.18 4.78 0.00 1.83 1.83 0.00 3.12 0.00 0.00 3.17 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.57 0.00 85 V 8.17 4.81 2.30 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 0.70 0.00 0.00 0.94 0.00 0.00 86 R 8.89 4.71 0.00 1.86 1.77 0.00 3.10 0.00 0.00 3.22 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.55 0.00 87 K 8.79 4.14 0.00 2.03 2.08 0.00 1.68 0.00 0.00 1.85 0.00 0.00 2.92 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.50 1.48 7.81 88 K 7.95 3.92 0.00 1.97 1.07 0.00 1.70 0.00 0.00 1.77 0.00 0.00 3.03 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.37 1.50 7.81 89 F 8.14 5.18 0.00 2.78 2.95 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 90 L 6.81 4.84 0.00 1.91 1.60 0.90 0.79 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 91 E 7.85 4.87 0.00 1.96 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 2.20 2.20 0.00 92 N 8.54 4.74 0.00 2.68 2.71 0.00 0.00 6.60 7.98 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 93 G 8.68 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 94 K 8.50 4.57 0.00 1.73 1.74 0.00 1.63 0.00 0.00 1.74 0.00 0.00 2.80 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.53 1.44 7.81 95 K 9.44 4.82 0.00 1.70 1.60 0.00 1.65 0.00 0.00 1.66 0.00 0.00 2.94 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.33 1.56 7.81 96 I 8.51 4.34 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 1.40 0.78 0.91 0.00 0.00 97 R 8.56 3.81 0.00 1.90 1.96 0.00 3.23 0.00 0.00 3.15 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.68 0.00 98 V 8.34 3.36 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 0.79 0.00 0.00 0.93 0.00 0.00 99 C 6.60 4.66 0.00 2.94 1.85 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 0.00 100 A 10.02 4.75 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 0.00 101 K 8.09 3.74 0.00 1.90 1.87 0.00 1.84 0.00 0.00 1.74 0.00 0.00 3.02 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.34 1.37 7.81 *102 C 8.57 4.36 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 * Residues marked with a * may have inaccurate shift predictions.