NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 K 4.3222 8.2729 122.1409 54.5152 34.3593 178.5328 5 K 3.9468 7.9171 124.2114 58.5660 31.4636 175.6192 6 V 3.7756 8.4373 119.9004 66.2104 31.3314 177.3024 7 A 4.0195 7.4895 121.5276 56.2215 18.5703 179.6845 8 K 3.8161 8.2002 120.8788 60.5638 31.0892 180.4510 9 E 4.2003 8.3219 118.9010 59.7118 29.4939 180.2478 10 T 3.8917 7.7946 115.3114 66.5653 68.5516 176.4947 11 A 4.0485 8.0164 122.6617 55.3334 18.2934 179.7053 12 I 3.6468 7.7101 117.5596 65.0498 37.1651 178.6959 13 T 3.9324 7.5231 115.4904 66.3558 68.2204 176.9481 14 L 4.0234 8.7002 123.8305 58.4643 41.8111 179.9224 15 Q 4.0314 8.3910 120.9993 60.6557 28.0807 180.9286 16 S 4.3312 8.0823 117.0048 61.3560 62.7076 176.6408 17 A 3.9348 7.7611 123.3456 55.0110 18.1833 179.3065 18 L 3.8835 8.5423 117.1839 58.5996 41.7862 180.3167 19 T 3.8990 7.8811 114.9745 66.3186 68.3016 176.3389 20 L 3.8311 7.7663 122.0610 58.3561 42.0995 178.6864 21 Q 3.9530 8.3297 117.9095 59.2292 28.7100 178.9741 22 A 3.9689 8.2400 121.5958 55.6519 18.1521 179.7397 23 V 3.6825 8.2269 117.7656 66.7672 31.8379 178.9093 24 R 4.1689 8.4897 123.0094 62.1505 29.2217 181.3572 25 L 4.2372 8.4820 123.8672 59.2003 40.7210 180.6599 26 I 4.1910 8.0022 117.5093 62.3371 38.2451 177.5383 27 S 4.3374 7.9335 116.3857 62.5145 62.1942 176.3408 28 Q 4.0088 8.0435 122.8090 60.6207 27.4243 180.0695 29 Q 4.2797 7.7724 120.2133 58.6499 28.6891 179.1685 30 L 4.5675 7.6682 119.8716 56.6799 42.1358 179.4946 31 S 4.2171 8.0338 121.0120 64.5474 62.1885 180.8257 32 E 4.4303 8.2222 122.9091 61.7992 29.8039 180.8932 33 T 4.3346 7.4683 115.6587 64.4491 69.5849 176.6901 34 N 5.0840 8.3442 126.0068 49.9026 39.3566 173.5911 35 P 4.3974 0.0000 0.0000 65.8627 31.4910 178.6806 36 G 3.6243 8.0294 104.9790 47.4428 0.0000 175.1433 37 Q 4.1550 8.1407 120.5171 57.9140 29.2972 177.3168 38 A 4.3476 7.9438 123.7289 55.2466 19.3777 180.0413 39 I 3.8945 7.9915 118.5992 64.6086 35.3615 180.6828 40 W 4.2820 8.4019 130.9639 61.4805 30.4918 178.8066 41 L 4.1124 7.9147 120.7640 59.6851 40.4834 180.6404 42 G 3.9622 8.0991 106.0854 47.8970 0.0000 176.0158 43 E 3.8929 8.3608 120.2090 60.5479 29.8167 181.7593 44 F 3.8056 7.9336 121.1840 61.2641 39.1958 177.6039 45 S 4.5045 8.0811 115.7330 61.8740 62.5735 177.3855 46 K 4.1132 7.2768 125.7380 59.9041 31.6441 183.6445 47 R 4.1745 7.4823 117.7716 57.1158 30.1959 176.7502 48 H 4.6466 7.1737 115.0190 53.1118 32.5129 170.9422 49 P 4.4081 0.0000 0.0000 62.3309 31.1453 177.4805 50 I 2.9704 8.2015 123.5435 61.6188 35.3975 174.3947 51 Q 4.0417 8.1050 121.2541 59.8055 28.2149 183.9312 52 E 4.3922 7.8944 121.0574 54.9408 28.5222 179.4648 53 S 4.3620 8.5561 121.3511 61.1293 63.2759 176.2505 54 D 4.4030 8.2075 124.6823 57.7020 40.8267 178.9857 55 L 4.0765 8.1597 122.2663 59.9746 40.4844 180.4422 56 Y 4.4215 8.2154 118.7693 61.0901 38.7548 178.1112 57 L 3.8752 8.1382 119.2935 58.3661 41.3927 178.6609 58 E 3.8524 8.4384 117.2416 59.8047 28.9543 179.0267 59 A 4.0213 8.4166 120.3103 55.9241 18.5170 179.5631 60 M 3.7617 7.9501 116.4560 59.2021 32.1159 178.2198 61 M 3.7804 8.3601 117.4762 58.7579 32.4546 178.2046 62 L 4.1227 7.4265 117.8431 58.0058 42.0430 178.9679 63 E 4.4807 7.6203 117.1610 58.0246 29.4886 176.7787 64 N 4.3772 8.3578 118.7460 51.4955 40.2002 174.6340 65 K 4.0457 8.4599 127.1961 58.7680 32.3832 179.1553 66 E 3.9198 7.9823 117.7043 59.2283 29.6442 178.6899 67 L 3.8654 7.7950 119.8903 57.5950 41.8092 179.4435 68 V 3.5359 7.2627 117.0839 66.3981 31.2227 178.1378 69 L 4.0038 7.5943 118.0575 57.4715 41.3329 179.3463 70 R 3.8611 8.3471 119.1451 59.6544 30.0600 178.3358 71 I 3.6934 8.0028 119.7753 64.7974 35.9926 178.3950 72 L 4.2529 7.8689 118.9509 57.3483 41.3338 179.6308 73 T 3.9015 7.6277 116.1671 66.2924 68.8965 176.8659 74 V 3.5907 7.8781 120.4900 66.3498 31.1235 178.2101 75 R 4.0505 8.5273 115.4499 58.6554 29.3153 178.1643 76 E 4.0249 7.5966 120.6699 58.6993 29.6825 177.9499 77 N 4.2496 8.1646 116.7268 56.6368 38.6668 176.6331 78 L 3.7844 7.7793 118.9635 58.5310 41.6064 179.5350 79 A 4.0606 8.1136 122.3783 55.8422 18.0402 180.3347 80 E 4.1416 7.7081 116.1676 61.8572 29.7735 183.1581 81 G 3.7177 8.3863 107.8632 45.6767 0.0000 175.9050 82 V 3.3356 8.0098 119.5482 65.0657 31.8279 178.0035 83 L 4.2877 7.2312 114.7170 56.2450 42.0422 177.3254 84 E 4.4653 7.8988 116.3528 58.5108 30.3710 177.3556 85 F 4.5540 8.5339 116.6886 58.4778 39.3625 177.6368 86 L 4.4206 7.9188 118.5776 56.5908 42.4174 177.3313 87 P 4.2712 0.0000 0.0000 65.9547 31.5130 178.6587 88 E 4.1027 8.0033 117.7564 60.9255 29.6792 181.6937 89 M 4.1431 8.7427 119.6705 58.3459 32.0720 179.3323 90 V 3.6799 7.8231 117.8068 65.5214 31.9117 177.7498 91 L 3.9541 7.4141 119.3765 58.2806 41.8692 179.0768 92 S 4.1296 8.2590 114.2062 61.6512 62.9568 176.4907 93 Q 4.0428 7.8227 123.6190 59.3060 28.3244 179.4278 94 I 3.8601 8.3358 124.1231 65.5207 35.4376 181.1360 95 K 4.1523 8.3845 125.9814 59.7119 31.5530 180.6082 96 Q 4.2134 8.5040 123.3706 59.9158 28.8405 179.7701 97 S 4.1392 7.9648 118.9507 63.3492 62.3441 177.5914 98 N 4.6077 8.5121 121.0772 56.6473 38.2630 177.0767 99 G 3.6830 8.3130 106.6043 48.2223 0.0000 175.0000 100 N 3.8454 8.8173 119.6712 55.8756 38.6361 177.3482 101 H 4.3444 7.9734 117.1714 58.6810 29.1919 177.6653 102 R 3.9189 7.8805 119.7404 59.4429 29.9010 178.7412 103 R 3.8759 8.7196 119.1343 60.0722 29.7178 178.4936 104 S 4.1681 7.3871 111.9342 61.0909 63.2227 176.0479 105 L 4.1076 8.0444 123.2228 58.0714 41.8206 179.1266 106 L 4.0623 8.0054 121.1577 58.3963 41.4811 179.6080 107 E 4.3336 8.3335 117.8557 60.1500 29.5592 179.7606 108 R 4.9077 7.4623 114.4325 56.6326 30.7533 181.4963 109 L 4.6932 8.5477 120.8459 56.5606 44.0451 178.1635 110 T 3.8451 7.9191 111.0050 60.3655 68.6231 177.9992 111 Q 3.9912 8.9157 130.6939 56.2887 29.2945 177.0810 112 V 4.0466 8.3044 121.7588 60.8652 32.3323 171.8734 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 4 K 8.27 4.32 0.00 1.70 1.89 0.00 1.76 0.00 0.00 1.81 0.00 0.00 2.91 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.34 1.01 7.81 5 K 7.92 3.95 0.00 1.84 1.85 0.00 1.78 0.00 0.00 1.78 0.00 0.00 2.88 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.44 1.12 7.81 6 V 8.44 3.78 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 0.98 0.00 0.00 0.93 0.00 0.00 7 A 7.49 4.02 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 8 K 8.20 3.82 0.00 1.77 1.80 0.00 1.82 0.00 0.00 1.82 0.00 0.00 2.89 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.45 1.13 7.81 9 E 8.32 4.20 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 2.34 2.56 0.00 10 T 7.79 3.89 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 1.21 0.00 0.00 11 A 8.02 4.05 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 12 I 7.71 3.65 1.99 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 1.82 0.98 0.92 0.00 0.00 13 T 7.52 3.93 4.26 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 1.20 0.00 0.00 14 L 8.70 4.02 0.00 1.88 1.71 0.93 0.94 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 15 Q 8.39 4.03 0.00 2.02 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.79 0.00 0.00 0.00 0.00 0.00 2.30 2.29 0.00 16 S 8.08 4.33 0.00 4.01 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 17 A 7.76 3.93 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 18 L 8.54 3.88 0.00 1.72 1.76 0.97 0.74 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 19 T 7.88 3.90 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 1.31 0.00 0.00 20 L 7.77 3.83 0.00 1.96 1.75 0.88 0.70 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 21 Q 8.33 3.95 0.00 2.26 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.48 0.00 0.00 0.00 0.00 0.00 2.38 2.54 0.00 22 A 8.24 3.97 1.44 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 23 V 8.23 3.68 2.24 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 0.95 0.00 0.00 1.20 0.00 0.00 24 R 8.49 4.17 0.00 1.84 1.92 0.00 3.33 0.00 0.00 3.20 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.52 0.00 25 L 8.48 4.24 0.00 1.59 1.71 0.92 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 26 I 8.00 4.19 1.93 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.23 1.02 0.00 0.00 27 S 7.93 4.34 0.00 4.11 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 28 Q 8.04 4.01 0.00 2.10 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.55 0.00 0.00 0.00 0.00 0.00 2.37 2.03 0.00 29 Q 7.77 4.28 0.00 2.05 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.61 0.00 0.00 0.00 0.00 0.00 2.39 2.60 0.00 30 L 7.67 4.57 0.00 1.95 1.88 0.99 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 31 S 8.03 4.22 0.00 3.70 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 32 E 8.22 4.43 0.00 2.06 1.84 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 2.23 1.94 0.00 33 T 7.47 4.33 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 34 N 8.34 5.08 0.00 2.73 2.75 0.00 0.00 6.92 8.16 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 35 P 0.00 4.40 0.00 2.28 2.33 0.00 3.70 0.00 0.00 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.05 0.00 36 G 8.03 3.62 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 0.00 0.00 0.00 37 Q 8.14 4.15 0.00 2.12 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.76 0.00 0.00 0.00 0.00 0.00 2.39 2.29 0.00 38 A 7.94 4.35 1.45 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 39 I 7.99 3.89 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 1.41 0.70 0.91 0.00 0.00 40 W 8.40 4.28 0.00 3.60 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 41 L 7.91 4.11 0.00 1.76 1.59 0.92 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 42 G 8.10 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 0.00 0.00 0.00 43 E 8.36 3.89 0.00 2.02 2.02 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 2.26 2.23 0.00 44 F 7.93 3.81 0.00 1.60 2.40 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 45 S 8.08 4.50 0.00 4.07 3.98 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 46 K 7.28 4.11 0.00 1.88 1.72 0.00 1.81 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.39 1.35 7.81 47 R 7.48 4.17 0.00 1.61 1.65 0.00 2.96 0.00 0.00 3.15 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.53 0.00 48 H 7.17 4.65 0.00 2.85 3.16 0.00 5.69 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 P 0.00 4.41 0.00 2.18 2.17 0.00 3.76 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 1.93 0.00 50 I 8.20 2.97 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 1.27 0.69 0.91 0.00 0.00 51 Q 8.10 4.04 0.00 2.06 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.03 7.21 0.00 0.00 0.00 0.00 0.00 2.31 2.18 0.00 52 E 7.89 4.39 0.00 1.89 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 2.31 1.86 0.00 53 S 8.56 4.36 0.00 4.08 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 54 D 8.21 4.40 0.00 2.75 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 55 L 8.16 4.08 0.00 1.64 1.71 0.92 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 56 Y 8.22 4.42 0.00 3.22 3.27 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 57 L 8.14 3.88 0.00 1.81 1.71 0.99 0.82 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 58 E 8.44 3.85 0.00 2.22 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 2.36 2.38 0.00 59 A 8.42 4.02 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 60 M 7.95 3.76 0.00 1.89 1.39 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 2.20 2.47 0.00 61 M 8.36 3.78 0.00 2.10 2.15 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.62 0.00 62 L 7.43 4.12 0.00 1.96 1.76 1.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 63 E 7.62 4.48 0.00 2.14 2.31 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 2.53 2.54 0.00 64 N 8.36 4.38 0.00 1.66 1.98 0.00 0.00 7.17 6.09 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 65 K 8.46 4.05 0.00 1.77 1.77 0.00 1.68 0.00 0.00 1.83 0.00 0.00 2.98 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.67 1.42 7.81 66 E 7.98 3.92 0.00 2.13 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 2.25 2.39 0.00 67 L 7.79 3.87 0.00 1.98 1.73 0.91 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 68 V 7.26 3.54 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.94 0.00 0.00 69 L 7.59 4.00 0.00 1.88 1.68 0.94 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 70 R 8.35 3.86 0.00 1.97 2.11 0.00 3.15 0.00 0.00 3.15 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.72 0.00 71 I 8.00 3.69 2.09 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.54 0.97 0.00 0.00 72 L 7.87 4.25 0.00 1.85 1.72 nan 0.74 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 73 T 7.63 3.90 4.38 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 1.21 0.00 0.00 74 V 7.88 3.59 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 1.05 0.00 0.00 0.96 0.00 0.00 75 R 8.53 4.05 0.00 2.05 2.26 0.00 2.84 0.00 0.00 3.13 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.64 0.00 76 E 7.60 4.02 0.00 2.37 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 2.29 2.34 0.00 77 N 8.16 4.25 0.00 2.94 2.83 0.00 0.00 6.90 6.87 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 78 L 7.78 3.78 0.00 1.75 1.69 0.93 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 79 A 8.11 4.06 1.32 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 80 E 7.71 4.14 0.00 2.06 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 2.26 2.19 0.00 81 G 8.39 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 82 V 8.01 3.34 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 0.95 0.00 0.00 0.84 0.00 0.00 83 L 7.23 4.29 0.00 1.83 1.68 0.93 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 84 E 7.90 4.47 0.00 2.37 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 2.37 2.42 0.00 85 F 8.53 4.55 0.00 3.18 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 86 L 7.92 4.42 0.00 1.80 1.74 1.01 1.12 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 87 P 0.00 4.27 0.00 2.19 2.11 0.00 3.74 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 2.10 0.00 88 E 8.00 4.10 0.00 1.97 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 2.31 1.96 0.00 89 M 8.74 4.14 0.00 2.05 2.39 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.92 2.65 0.00 90 V 7.82 3.68 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 1.10 0.00 0.00 0.98 0.00 0.00 91 L 7.41 3.95 0.00 2.07 1.65 0.93 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 92 S 8.26 4.13 0.00 4.09 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 0.00 93 Q 7.82 4.04 0.00 2.50 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.81 6.85 0.00 0.00 0.00 0.00 0.00 2.39 2.75 0.00 94 I 8.34 3.86 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 1.38 0.73 0.91 0.00 0.00 95 K 8.38 4.15 0.00 1.73 1.85 0.00 1.80 0.00 0.00 1.57 0.00 0.00 2.83 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.38 1.32 7.81 96 Q 8.50 4.21 0.00 2.10 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.91 6.78 0.00 0.00 0.00 0.00 0.00 2.36 2.39 0.00 97 S 7.96 4.14 0.00 3.82 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 98 N 8.51 4.61 0.00 3.09 2.93 0.00 0.00 6.93 7.90 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 99 G 8.31 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.82 3.85 0.00 2.83 2.82 0.00 0.00 7.18 7.92 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 0.00 101 H 7.97 4.34 0.00 3.27 3.33 0.00 5.63 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 0.00 102 R 7.88 3.92 0.00 1.98 2.00 0.00 3.21 0.00 0.00 3.10 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.99 0.00 103 R 8.72 3.88 0.00 1.98 2.10 0.00 3.07 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.71 0.00 104 S 7.39 4.17 0.00 4.18 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 0.00 105 L 8.04 4.11 0.00 1.78 1.81 0.92 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 106 L 8.01 4.06 0.00 1.92 1.70 0.92 0.91 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 0.00 107 E 8.33 4.33 0.00 2.06 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 2.26 2.20 0.00 108 R 7.46 4.91 0.00 1.79 1.77 0.00 3.17 0.00 0.00 3.22 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.42 0.00 109 L 8.55 4.69 0.00 1.53 1.69 0.92 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 110 T 7.92 3.85 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 1.21 0.00 0.00 111 Q 8.92 3.99 0.00 2.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.86 6.82 0.00 0.00 0.00 0.00 0.00 2.34 2.36 0.00 112 V 8.30 4.05 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 0.80 0.00 0.00 0.93 0.00 0.00