NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1B H 4.6226 8.4449 117.7910 55.4728 29.3068 173.9643 1C H 4.7015 8.9340 122.9227 56.2052 30.2410 172.5155 1D H 4.1251 9.0378 112.7807 57.0119 27.1987 174.3282 1E H 5.0574 7.6390 110.3294 53.9560 32.8345 173.2844 1F H 4.6278 8.9514 117.0831 56.0338 28.9262 174.4076 1G F 4.8300 8.4861 119.8448 57.8453 39.9452 174.4702 2 N 4.6285 8.4972 117.3722 52.3408 38.8247 174.4441 3 L 4.7804 8.0945 123.5290 52.1089 43.8759 174.7120 4 P 4.5347 0.0000 0.0000 61.4106 32.3655 174.3221 5 P 4.3320 0.0000 0.0000 62.8047 32.1034 174.6885 6 G 3.8831 8.1699 105.0726 44.1244 0.0000 172.0823 7 N 4.6182 8.1299 115.8453 51.2632 39.4728 173.6792 8 Y 4.8657 7.8820 112.0472 57.8344 38.3115 178.2496 9 K 4.2493 8.3799 122.0957 58.5729 32.2821 177.2027 10 K 4.7467 7.2428 113.2430 53.3377 35.7274 173.9353 11 P 4.7855 0.0000 0.0000 63.2338 32.4685 174.9881 12 K 4.8552 9.2170 119.2331 55.4133 37.6348 174.8072 13 L 4.9644 9.2155 121.2293 53.2114 44.4801 176.1713 14 L 5.0531 8.7127 123.2612 53.4807 43.5966 174.8110 15 Y 4.6654 8.9412 127.3747 56.2930 40.0943 174.2630 16 C 3.9925 8.0838 128.1426 58.9368 32.4573 174.3000 17 T 4.0417 8.1243 116.3397 64.1257 68.6195 175.2668 18 T 3.7829 7.2967 111.2315 63.2970 69.0061 175.9701 16 G 3.4025 8.0938 118.3426 45.8368 0.0000 174.6000 17 H 4.4217 8.3943 120.9397 57.3257 27.8195 174.6668 18 F 4.0529 7.4467 117.9315 59.1970 38.8061 177.0701 23 L 4.4623 9.0891 125.9392 55.3052 43.2198 175.6123 24 R 4.9743 9.4742 126.2959 54.5583 33.6670 173.9730 25 I 4.8763 8.3002 126.1103 59.6161 39.3236 175.6057 26 L 4.2619 9.0465 127.9622 52.8727 42.8430 176.3074 27 P 4.1756 0.0000 0.0000 66.0056 31.2052 177.4415 28 D 4.4979 7.9330 113.8281 53.8426 39.6870 176.9282 29 G 4.1299 8.4214 110.1014 45.2572 0.0000 173.9760 30 T 4.2049 8.4061 117.8876 63.4488 68.9684 173.3542 31 V 4.8604 8.2569 125.4034 61.1040 33.9419 174.1029 32 D 4.5853 8.6846 127.0687 52.7799 42.4675 174.0752 33 G 5.2532 8.6565 104.6170 45.5267 0.0000 172.3355 34 T 5.0277 8.4904 114.7952 60.4668 70.3165 174.0331 35 R 4.2578 8.9153 124.7946 57.4918 31.1037 176.2617 36 D 4.5451 8.1479 118.5779 53.5521 40.4702 176.6577 37 R 3.5636 8.6113 127.9895 58.3088 30.3177 176.9702 38 S 4.4674 8.1404 111.1297 58.2698 63.2932 173.7732 39 D 4.3860 7.6589 121.4698 54.9574 41.2840 175.7749 40 Q 4.4377 8.5241 123.9475 56.4834 29.0744 175.6647 41 H 4.9200 9.0543 115.4664 55.4411 29.3921 175.0038 42 I 4.5739 7.1168 110.7672 59.9306 38.6365 175.5119 43 Q 4.2116 7.8630 121.9775 55.8452 29.6936 174.8009 44 L 5.0679 9.0132 124.5599 52.8109 45.5288 175.3463 45 Q 4.8244 9.2294 125.0348 54.5689 30.5903 174.3983 46 L 5.2095 8.5957 126.7607 53.9803 43.6620 176.2708 47 S 4.4755 8.5208 114.7459 56.8939 66.7330 172.6433 48 A 4.7076 8.1859 123.3406 51.0070 20.1201 176.2452 49 E 4.2060 8.7953 122.4755 57.5483 30.6040 176.4815 50 S 4.8094 7.3278 112.0285 55.6665 66.7090 173.5758 51 V 3.7698 8.3207 121.1745 64.9330 31.4877 176.3289 52 G 3.8886 9.1919 114.8676 45.2249 0.0000 171.7840 53 E 5.2103 8.2493 120.0917 54.6309 32.0561 175.6460 54 V 4.8590 8.8241 116.6539 59.8561 36.7127 174.0394 55 Y 5.2824 8.8526 119.9307 56.5618 41.2018 175.2526 56 I 4.5294 8.5908 122.0633 59.6534 40.4924 174.1207 57 K 4.7165 8.8635 129.2156 54.0999 35.1462 175.0777 58 S 4.6013 8.8632 122.7785 58.4175 62.6274 174.7583 59 T 3.8915 8.3655 118.2054 63.8138 68.6615 175.5588 60 E 4.1681 8.2666 122.7970 57.8996 30.1039 176.5746 61 T 4.3349 7.9288 105.9659 60.5474 70.1792 175.3551 62 G 3.7752 8.3757 110.3085 45.4424 0.0000 173.8083 63 Q 4.3898 7.5483 118.5061 55.9986 30.3410 174.5507 64 Y 4.8309 8.8689 119.0548 55.9071 40.9216 175.2731 65 L 4.4016 9.1683 125.7373 55.3665 43.5177 175.6196 66 A 5.0255 8.7584 126.0236 50.6973 23.3758 174.3715 67 M 5.4611 8.6442 118.8282 53.9683 34.9891 175.4633 68 D 5.2593 9.6622 126.2373 51.8447 41.1786 176.9346 69 T 4.2092 8.5457 108.1919 63.8248 68.6647 174.4549 70 D 4.6240 8.5581 121.2598 54.3124 41.6837 177.2857 71 G 3.3668 8.7172 108.9335 44.8591 0.0000 172.9795 72 L 4.6467 7.7328 119.6116 53.4962 42.9173 175.9781 73 L 5.1158 8.3163 122.5950 55.1133 42.8807 175.5216 74 Y 4.9093 8.6806 118.4618 56.2437 41.8132 173.2902 75 G 4.2614 9.0844 109.0695 45.4004 0.0000 173.2077 76 S 5.0621 9.1613 120.5870 56.7814 64.1461 175.2927 77 Q 4.3423 9.0088 124.8345 58.0990 28.9437 176.4094 78 T 4.6996 7.5600 106.2602 58.9710 71.5212 172.5651 79 P 3.8478 0.0000 0.0000 61.0646 30.2297 174.5212 80 N 5.1401 7.6989 125.4781 51.2021 40.0737 175.3424 81 E 3.8920 8.7109 114.7456 59.5994 29.2344 177.5737 82 E 4.1185 8.9326 118.5800 57.8916 29.7827 177.1069 83 C 5.0292 7.8364 115.4452 58.6854 29.3009 173.4681 84 L 4.3718 7.2611 120.3240 53.4301 43.1295 175.5669 85 F 5.2327 8.6846 121.2754 55.5707 43.6001 174.4086 86 L 4.7021 9.2757 123.3010 53.9407 42.3730 175.6761 87 E 4.5029 8.7754 126.9276 55.4741 30.0888 175.8364 88 R 4.8502 8.6671 125.5616 54.1313 34.8504 174.5864 89 L 4.8096 8.7168 123.4774 54.9579 43.2770 175.7033 90 E 4.6923 8.9521 124.3399 55.1924 33.4975 175.0601 91 E 3.9991 9.7006 123.8846 57.6787 27.2976 174.1467 92 N 4.3135 8.5191 110.9192 54.1427 36.5670 174.1602 93 H 4.8787 8.5189 116.2121 57.7110 36.4096 173.4345 94 Y 4.5790 7.6546 115.9970 57.4900 39.9859 173.8616 95 N 5.4141 9.3886 119.3954 52.1282 40.8106 174.5150 96 T 5.2816 8.8703 113.0799 60.1343 73.0743 172.6559 97 Y 4.9861 8.6340 119.0385 56.6036 41.5697 174.1950 98 I 4.5714 8.5556 126.1537 59.3130 39.3522 175.5299 99 S 4.0541 9.0402 122.6539 58.6881 62.1502 174.1337 100 K 3.9437 8.6565 129.1935 59.2680 32.2740 178.7851 101 K 3.8031 7.8466 118.5325 58.8734 32.3603 176.6039 102 H 5.4401 8.2158 115.1126 54.2540 29.6238 176.1325 103 A 4.0152 7.6356 125.5819 54.9579 18.6074 180.6535 104 E 4.0590 8.0572 113.3601 58.4380 29.9551 178.1610 105 K 4.1857 7.6139 117.3486 55.2596 32.7675 175.7593 106 N 3.8294 7.4701 115.1960 53.9424 36.5098 175.1310 107 W 5.0735 7.6844 117.6753 56.0529 30.7267 177.4487 108 F 5.3766 9.0325 124.1262 55.7416 40.7834 176.0652 109 V 3.9625 8.8061 122.0165 63.1073 31.9989 175.5928 110 G 4.4347 8.5363 112.5838 45.3129 0.0000 171.5033 111 L 5.3129 8.2247 121.0059 52.5135 45.0395 177.2418 112 K 4.2455 9.1485 123.0590 55.4825 32.9337 178.4265 113 K 3.9793 8.4004 119.8589 59.4343 31.9803 178.1046 114 N 4.4724 7.9907 113.7298 53.3090 37.7161 175.8552 115 G 3.5784 8.2422 109.1989 44.9362 0.0000 173.5228 116 S 4.9188 8.4168 115.4772 57.2175 65.1320 173.6070 117 C 4.7406 8.4592 115.7141 58.2392 30.4600 173.0567 118 K 4.4581 8.6360 120.7309 55.4523 33.3075 176.8742 119 R 4.2415 8.4043 122.4294 55.3311 31.4423 177.5640 120 G 3.4582 8.7360 110.3144 47.7475 0.0000 174.3590 121 P 4.3243 0.0000 0.0000 64.0511 31.3924 177.7917 122 R 4.4388 7.7238 115.7229 55.2598 30.6072 176.0599 123 T 5.0779 6.9501 109.1375 59.9033 70.8873 173.6429 124 H 4.6767 7.9585 114.7226 54.9389 30.4637 173.1697 125 Y 4.0103 8.7140 118.8002 60.1526 38.1116 177.1003 126 G 4.0784 9.0549 111.1147 45.3977 0.0000 173.7837 127 Q 4.3022 7.4553 118.9061 54.7599 30.0429 177.1652 128 K 3.6785 8.3003 119.9903 58.8198 32.7422 179.3395 129 A 3.8979 7.8032 121.7293 54.3762 18.3310 178.3854 130 I 4.3383 6.7673 106.6850 60.9358 38.2150 175.3612 131 L 4.4330 7.1192 122.4515 53.7593 42.4513 176.0946 132 F 5.0336 9.2366 122.2320 55.5500 43.1174 174.4403 133 L 5.2559 9.2155 122.6938 52.1911 43.9329 174.2798 134 P 5.1456 0.0000 0.0000 62.8905 32.3815 175.8369 135 L 5.1043 9.3642 121.7526 52.1115 45.9970 174.4402 136 P 4.6525 0.0000 0.0000 62.8558 32.4258 176.7516 137 V 3.8248 8.1789 113.1709 61.7932 31.6586 176.2732 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 1B H 8.44 4.62 0.00 3.05 2.92 0.00 5.62 0.00 0.00 0.00 0.00 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1C H 8.93 4.70 0.00 3.30 3.26 0.00 5.77 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1D H 9.04 4.13 0.00 3.26 3.32 0.00 5.65 0.00 0.00 0.00 0.00 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1E H 7.64 5.06 0.00 3.23 3.23 0.00 5.66 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1F H 8.95 4.63 0.00 3.34 3.43 0.00 5.66 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1G F 8.49 4.83 0.00 2.91 3.08 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 2 N 8.50 4.63 0.00 2.96 2.79 0.00 0.00 6.89 6.74 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 3 L 8.09 4.78 0.00 1.48 1.41 0.52 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 4 P 0.00 4.53 0.00 2.23 2.04 0.00 3.70 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.90 0.00 5 P 0.00 4.33 0.00 2.18 2.07 0.00 3.74 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.95 0.00 6 G 8.17 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 0.00 0.00 0.00 7 N 8.13 4.62 0.00 2.66 2.67 0.00 0.00 5.91 7.55 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 8 Y 7.88 4.87 0.00 3.09 3.18 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 0.00 0.00 0.00 0.00 9 K 8.38 4.25 0.00 1.86 1.90 0.00 1.72 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.51 1.50 7.81 10 K 7.24 4.75 0.00 1.70 1.68 0.00 1.71 0.00 0.00 1.76 0.00 0.00 3.02 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.37 1.35 7.81 11 P 0.00 4.79 0.00 2.07 2.06 0.00 3.76 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.99 0.00 12 K 9.22 4.86 0.00 1.71 1.84 0.00 1.70 0.00 0.00 1.71 0.00 0.00 2.85 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.40 1.47 7.81 13 L 9.22 4.96 0.00 1.74 1.75 0.58 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 14 L 8.71 5.05 0.00 1.58 1.62 0.38 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 15 Y 8.94 4.67 0.00 2.98 3.01 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 16 C 8.08 3.99 0.00 2.64 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 0.00 0.00 0.00 17 T 8.12 4.04 4.08 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 0.99 0.00 0.00 18 T 7.30 3.78 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 1.07 0.00 0.00 16 G 8.09 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 0.00 0.00 0.00 17 H 8.39 4.42 0.00 3.34 3.15 0.00 7.88 0.00 0.00 0.00 0.00 5.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 F 7.45 4.05 0.00 3.30 3.20 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 23 L 9.09 4.46 0.00 1.84 1.55 0.96 0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 24 R 9.47 4.97 0.00 1.90 2.06 0.00 3.25 0.00 0.00 3.32 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.79 0.00 25 I 8.30 4.88 1.84 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.76 0.89 0.00 0.00 26 L 9.05 4.26 0.00 1.81 1.50 0.91 0.82 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 27 P 0.00 4.18 0.00 2.00 2.12 0.00 3.53 0.00 0.00 3.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 2.03 0.00 28 D 7.93 4.50 0.00 2.79 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 29 G 8.42 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 0.00 0.00 0.00 30 T 8.41 4.20 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 1.22 0.00 0.00 31 V 8.26 4.86 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 0.84 0.00 0.00 0.94 0.00 0.00 32 D 8.68 4.59 0.00 2.88 2.75 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 33 G 8.66 5.25 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 0.00 34 T 8.49 5.03 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 1.36 0.00 0.00 35 R 8.92 4.26 0.00 1.90 2.03 0.00 3.26 0.00 0.00 3.14 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.49 0.00 36 D 8.15 4.55 0.00 2.83 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 37 R 8.61 3.56 0.00 1.88 1.89 0.00 3.36 0.00 0.00 3.09 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 1.50 0.00 38 S 8.14 4.47 0.00 4.00 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 39 D 7.66 4.39 0.00 2.84 2.58 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.52 4.44 0.00 1.88 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 7.11 0.00 0.00 0.00 0.00 0.00 2.26 2.25 0.00 41 H 9.05 4.92 0.00 3.32 3.47 0.00 5.77 0.00 0.00 0.00 0.00 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 I 7.12 4.57 1.86 0.00 0.00 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.90 1.06 0.00 0.00 43 Q 7.86 4.21 0.00 2.03 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.89 0.00 0.00 0.00 0.00 0.00 2.39 2.39 0.00 44 L 9.01 5.07 0.00 1.50 1.45 0.83 0.83 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 45 Q 9.23 4.82 0.00 2.09 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.83 0.00 0.00 0.00 0.00 0.00 2.27 2.38 0.00 46 L 8.60 5.21 0.00 1.75 1.53 0.93 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 47 S 8.52 4.48 0.00 3.91 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 48 A 8.19 4.71 1.23 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 0.00 0.00 49 E 8.80 4.21 0.00 1.67 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 0.00 2.22 2.29 0.00 50 S 7.33 4.81 0.00 4.07 3.75 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 51 V 8.32 3.77 2.34 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 0.95 0.00 0.00 1.03 0.00 0.00 52 G 9.19 3.89 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 0.00 0.00 0.00 0.00 0.00 0.00 53 E 8.25 5.21 0.00 2.01 1.70 0.00 0.00 0.00 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 2.29 0.00 54 V 8.82 4.86 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 0.75 0.00 0.00 1.15 0.00 0.00 55 Y 8.85 5.28 0.00 2.96 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 56 I 8.59 4.53 1.76 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.61 0.70 0.00 0.00 57 K 8.86 4.72 0.00 1.39 1.52 0.00 1.21 0.00 0.00 0.81 0.00 0.00 2.67 0.00 0.00 2.74 0.00 0.00 0.00 0.00 0.95 0.67 7.81 58 S 8.86 4.60 0.00 3.83 3.81 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 0.00 0.00 0.00 59 T 8.37 3.89 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 1.17 0.00 0.00 60 E 8.27 4.17 0.00 1.95 2.00 0.00 0.00 0.00 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 2.34 0.00 61 T 7.93 4.33 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 1.23 0.00 0.00 62 G 8.38 3.78 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 0.00 0.00 0.00 63 Q 7.55 4.39 0.00 1.98 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.96 6.71 0.00 0.00 0.00 0.00 0.00 2.51 2.32 0.00 64 Y 8.87 4.83 0.00 2.88 2.86 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 65 L 9.17 4.40 0.00 1.62 1.52 0.82 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 66 A 8.76 5.03 0.57 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 0.00 0.00 67 M 8.64 5.46 0.00 2.27 2.27 0.00 0.00 0.00 0.00 0.00 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.72 2.71 0.00 68 D 9.66 5.26 0.00 3.00 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 69 T 8.55 4.21 4.37 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 1.33 0.00 0.00 70 D 8.56 4.62 0.00 2.84 2.69 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 0.00 0.00 0.00 71 G 8.72 3.37 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 0.00 72 L 7.73 4.65 0.00 2.07 1.63 0.89 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 73 L 8.32 5.12 0.00 1.58 1.62 0.91 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 74 Y 8.68 4.91 0.00 3.00 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 75 G 9.08 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 0.00 0.00 0.00 0.00 76 S 9.16 5.06 0.00 3.72 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 77 Q 9.01 4.34 0.00 2.15 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.56 0.00 0.00 0.00 0.00 0.00 2.43 2.33 0.00 78 T 7.56 4.70 4.17 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 1.22 0.00 0.00 79 P 0.00 3.85 0.00 0.63 0.49 0.00 3.48 0.00 0.00 3.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.30 0.00 80 N 7.70 5.14 0.00 2.92 2.96 0.00 0.00 5.88 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 81 E 8.71 3.89 0.00 2.03 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 0.00 2.26 2.30 0.00 82 E 8.93 4.12 0.00 2.22 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 0.00 2.37 2.36 0.00 83 C 7.84 5.03 0.00 3.09 3.21 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 0.00 0.00 0.00 84 L 7.26 4.37 0.00 1.33 1.28 0.78 0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 85 F 8.68 5.23 0.00 3.14 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 86 L 9.28 4.70 0.00 1.54 1.62 0.90 1.02 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 87 E 8.78 4.50 0.00 2.20 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 0.00 2.21 2.04 0.00 88 R 8.67 4.85 0.00 1.77 1.82 0.00 3.15 0.00 0.00 2.90 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.63 0.00 89 L 8.72 4.81 0.00 1.52 1.60 0.99 0.88 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 90 E 8.95 4.69 0.00 2.25 1.88 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 2.30 2.48 0.00 91 E 9.70 4.00 0.00 2.42 2.13 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 2.31 2.46 0.00 92 N 8.52 4.31 0.00 2.81 2.87 0.00 0.00 6.85 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 93 H 8.52 4.88 0.00 2.75 2.70 0.00 5.94 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 Y 7.65 4.58 0.00 2.98 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 95 N 9.39 5.41 0.00 3.06 2.69 0.00 0.00 6.85 6.69 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 96 T 8.87 5.28 4.53 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 1.34 0.00 0.00 97 Y 8.63 4.99 0.00 2.78 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 98 I 8.56 4.57 1.72 0.00 0.00 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.19 0.59 0.70 0.00 0.00 99 S 9.04 4.05 0.00 4.11 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 0.00 100 K 8.66 3.94 0.00 1.65 1.62 0.00 1.65 0.00 0.00 1.41 0.00 0.00 2.70 0.00 0.00 2.72 0.00 0.00 0.00 0.00 1.24 1.15 7.81 101 K 7.85 3.80 0.00 1.57 1.59 0.00 1.69 0.00 0.00 1.65 0.00 0.00 2.97 0.00 0.00 2.88 0.00 0.00 0.00 0.00 0.92 1.26 7.81 102 H 8.22 5.44 0.00 3.06 2.23 0.00 5.69 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 0.00 103 A 7.64 4.02 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 0.00 104 E 8.06 4.06 0.00 2.07 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 0.00 2.21 2.17 0.00 105 K 7.61 4.19 0.00 0.79 1.64 0.00 0.61 0.00 0.00 1.24 0.00 0.00 2.59 0.00 0.00 2.65 0.00 0.00 0.00 0.00 1.13 0.92 7.81 106 N 7.47 3.83 0.00 3.03 2.93 0.00 0.00 6.89 7.08 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 0.00 107 W 7.68 5.07 0.00 3.30 3.12 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 0.00 108 F 9.03 5.38 0.00 2.89 3.04 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 0.00 109 V 8.81 3.96 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 0.50 0.00 0.00 0.41 0.00 0.00 110 G 8.54 4.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.22 5.31 0.00 1.40 1.47 1.03 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 112 K 9.15 4.25 0.00 1.95 1.67 0.00 1.63 0.00 0.00 1.60 0.00 0.00 2.88 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.40 1.35 7.81 113 K 8.40 3.98 0.00 1.70 1.85 0.00 1.70 0.00 0.00 1.72 0.00 0.00 2.96 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.38 1.36 7.81 114 N 7.99 4.47 0.00 2.78 2.90 0.00 0.00 6.25 7.00 0.00 0.00 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 G 8.24 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 S 8.42 4.92 0.00 3.85 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 0.00 117 C 8.46 4.74 0.00 3.01 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 0.00 118 K 8.64 4.46 0.00 1.69 1.72 0.00 1.60 0.00 0.00 1.62 0.00 0.00 2.84 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.37 1.35 7.81 119 R 8.40 4.24 0.00 1.72 1.60 0.00 3.06 0.00 0.00 3.27 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.54 0.00 120 G 8.74 3.46 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 0.00 0.00 0.00 121 P 0.00 4.32 0.00 1.86 2.13 0.00 3.07 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.12 0.00 122 R 7.72 4.44 0.00 1.77 1.91 0.00 3.29 0.00 0.00 3.25 7.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.70 0.00 123 T 6.95 5.08 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 1.38 0.00 0.00 124 H 7.96 4.68 0.00 3.43 3.51 0.00 5.68 0.00 0.00 0.00 0.00 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 Y 8.71 4.01 0.00 3.11 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 0.00 126 G 9.05 4.08 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 0.00 127 Q 7.46 4.30 0.00 1.80 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.92 6.77 0.00 0.00 0.00 0.00 0.00 2.12 1.97 0.00 128 K 8.30 3.68 0.00 1.62 1.63 0.00 1.47 0.00 0.00 1.56 0.00 0.00 2.79 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.40 1.25 7.81 129 A 7.80 3.90 1.20 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 0.00 0.00 130 I 6.77 4.34 1.52 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 1.12 0.36 0.52 0.00 0.00 131 L 7.12 4.43 0.00 1.11 0.94 0.10 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 132 F 9.24 5.03 0.00 3.40 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 0.00 133 L 9.22 5.26 0.00 1.75 1.71 1.13 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 134 P 0.00 5.15 0.00 2.18 2.20 0.00 3.82 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.10 0.00 135 L 9.36 5.10 0.00 1.68 1.63 1.04 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 136 P 0.00 4.65 0.00 2.08 2.07 0.00 3.80 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.01 0.00 137 V 8.18 3.82 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 0.71 0.00 0.00 0.93 0.00 0.00