NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1C H 4.7563 8.4449 117.8361 56.2691 30.0046 172.7658 1D H 4.7525 8.7687 118.7157 55.3549 29.5171 172.1007 1E H 5.0750 7.6029 115.9056 53.7887 33.5239 172.1409 1F H 4.6473 8.9107 117.1715 55.9006 29.0519 174.3354 1G F 4.8327 8.3820 119.5143 57.8074 39.8537 174.2313 2 N 4.6392 8.4368 117.3569 52.3949 39.0325 174.5157 3 L 4.7885 8.0773 123.3389 51.9558 44.1181 174.6990 4 P 4.4579 0.0000 0.0000 61.6244 32.2298 174.5375 5 P 4.4005 0.0000 0.0000 62.3969 32.9516 176.5561 6 G 4.0703 8.7126 102.3073 46.0099 0.0000 172.2764 7 N 4.5683 7.9770 115.5240 51.4183 40.0803 174.2250 8 Y 4.9024 8.0165 116.5761 58.2927 38.5466 176.8172 9 K 4.0815 8.5904 121.7576 59.1269 32.2014 177.2814 10 K 4.7302 7.6550 115.0456 53.3885 34.9485 174.0581 11 P 4.7909 0.0000 0.0000 63.2912 32.3700 175.1131 12 K 4.9498 9.5136 119.4067 55.3831 37.5283 174.7958 13 L 5.3204 9.5343 121.9044 53.5871 44.2214 176.4382 14 L 4.8836 8.9355 123.3559 53.6805 42.3804 174.2439 15 Y 4.5314 9.1940 126.7744 56.7122 40.3381 173.5436 16 C 3.9690 8.1976 128.5407 57.6331 32.1523 174.3575 17 S 3.7612 7.9927 122.3197 60.9443 62.6204 175.3675 18 N 4.2038 7.9769 118.9750 56.0360 38.5636 175.2852 19 G 3.9738 7.3168 101.2827 44.1749 0.0000 172.5722 20 G 3.3619 7.9322 107.5216 44.1395 0.0000 173.2515 21 H 4.8956 7.4244 115.7217 54.2238 31.2480 174.1582 22 F 5.0543 9.4972 121.3059 56.1423 40.2711 175.1715 23 L 4.6904 9.2688 126.8191 55.7124 42.9367 175.7855 24 R 5.4150 9.9475 126.1224 53.7138 34.3147 173.8529 25 I 5.0611 8.0113 123.0915 59.5901 40.6702 174.8260 26 L 4.1185 8.9302 130.0703 53.4708 42.3648 176.3803 27 P 4.1696 0.0000 0.0000 65.7901 31.2368 177.9473 28 D 4.3802 7.9029 115.9154 54.4671 39.2590 176.9459 29 G 4.1513 8.3113 108.4059 45.0393 0.0000 173.4203 30 T 4.1535 8.5737 115.6643 61.6078 68.0087 173.1230 31 V 4.9039 8.0988 127.6580 61.2672 34.0226 174.4258 32 D 4.6270 8.9078 125.9829 53.0977 42.8499 174.0430 33 G 4.6369 8.8006 104.7734 45.3959 0.0000 172.2839 34 T 5.0195 9.0313 116.2774 60.3518 70.9288 174.6397 35 R 4.4958 8.9055 124.2353 56.6800 31.0789 176.1374 36 D 4.5963 8.2504 119.5002 53.2402 40.6228 176.9560 37 R 3.6535 8.3883 126.5297 57.9455 30.2493 177.9087 38 S 4.2735 8.1162 111.6821 58.8489 63.6093 174.2280 39 D 4.3167 7.5165 121.6722 55.1162 41.2170 175.8524 40 Q 4.3115 8.4156 123.2063 56.3401 29.6460 175.4837 41 H 4.8571 8.8491 116.8452 55.6011 29.3603 174.6631 42 I 4.7406 7.3052 109.0058 58.9602 39.2384 175.1649 43 Q 4.3157 7.5725 121.8265 55.3906 29.9451 174.8172 44 W 5.3339 9.3857 123.9277 54.7816 33.4317 174.3007 45 Q 4.9248 9.5271 124.5342 54.5397 30.7002 174.4753 46 L 5.6326 8.9363 126.4031 53.1895 43.7041 176.2003 47 S 4.5761 8.1574 114.1762 56.8176 66.8735 172.2328 48 A 4.9928 8.3171 123.1823 50.6841 19.8518 175.2349 49 E 3.8972 9.1507 125.8036 56.6227 29.9316 177.6893 50 S 4.7265 6.7051 111.6551 56.2149 65.8418 173.9672 51 V 3.8728 8.2047 121.4707 64.8647 31.4886 176.3392 52 G 3.9250 9.2265 115.1040 45.0877 0.0000 172.0403 53 E 5.1380 8.0952 119.4964 54.8471 32.2870 175.5672 54 V 4.8282 8.6289 115.1506 60.1653 36.9382 173.5358 55 Y 5.2487 8.7343 119.8775 56.5724 40.9954 175.3599 56 I 4.3551 8.6548 123.0376 59.5762 39.9439 173.6732 57 K 4.9446 8.7077 129.0086 54.2250 34.6190 175.2018 58 S 4.1059 9.0990 123.2430 58.3873 62.7443 174.7779 59 T 3.9599 8.3090 117.5282 63.5277 68.7203 175.3609 60 E 4.1736 8.0157 122.2269 57.3155 30.1609 176.3310 61 T 4.3650 7.1059 105.6138 60.0805 70.2177 175.1541 62 G 3.8037 8.2024 109.7740 45.4075 0.0000 173.7986 63 Q 4.4298 7.5309 119.0251 56.0583 30.2696 174.6175 64 Y 4.8219 9.2040 120.6260 56.2116 40.0968 175.1641 65 L 4.5445 9.2191 126.3906 55.4772 43.4627 175.5296 66 A 4.8807 8.7638 125.5379 50.8631 23.2670 174.4671 67 M 5.3749 8.6131 119.1805 53.9321 35.0039 175.5893 68 D 5.2497 9.7211 126.2030 51.6920 41.3376 176.9423 69 T 4.2187 8.5260 108.1942 63.9108 68.6884 174.4526 70 D 4.6607 8.4011 120.7507 54.0358 41.6217 176.9442 71 G 3.1323 8.6265 108.6829 45.2192 0.0000 172.9266 72 L 4.7679 8.0405 119.6024 52.9496 43.1582 175.9438 73 L 5.1724 8.3037 122.4662 54.9807 43.0106 175.3436 74 Y 4.8455 8.9556 119.6727 56.4319 42.0481 173.0607 75 G 4.4850 8.4607 106.3249 44.7123 0.0000 173.2303 76 S 5.0974 9.0665 119.2967 56.5402 64.7857 175.0807 77 Q 4.0991 9.0696 124.9150 57.6614 29.1094 176.2690 78 T 4.5772 7.5405 107.1374 58.8656 71.1071 172.6799 79 P 3.8944 0.0000 0.0000 61.4682 30.3120 174.5003 80 N 5.1341 7.8683 124.8146 50.8868 40.0811 175.0949 81 E 4.0396 8.8017 114.8716 59.7383 29.0578 177.6506 82 E 4.1466 9.0676 118.0786 57.5340 29.8019 177.3556 83 C 4.7865 7.9813 115.4237 58.9677 29.1715 173.4563 84 L 4.2632 7.3116 121.2395 53.8513 42.6603 175.7825 85 F 5.1600 8.8581 121.6881 55.5533 43.5148 174.3660 86 L 4.7998 9.1668 122.5271 53.6461 42.7001 175.5555 87 E 4.3987 8.8916 127.0414 55.4756 30.1134 175.8641 88 R 4.7808 8.4490 125.2395 54.0692 34.7902 174.5885 89 L 4.7323 8.6603 123.8698 55.0914 43.1279 175.7678 90 E 4.7084 9.1784 124.9058 55.1422 33.6276 174.9150 91 E 3.9745 9.6994 123.3154 58.0437 27.3312 174.3959 92 N 4.3137 8.5646 110.1881 54.1978 36.7241 174.1089 93 H 4.7361 8.5502 116.1960 57.7398 35.7262 173.4399 94 Y 4.6070 7.7135 115.9394 57.3962 40.1441 173.6642 95 N 5.5314 9.3584 118.4162 51.9035 41.2208 174.5648 96 T 5.1901 8.7588 112.9938 60.1070 72.9364 172.7407 97 Y 5.0227 8.5313 118.9875 56.6063 41.4320 174.1603 98 I 4.5647 8.3305 126.1067 59.1377 39.4698 175.5781 99 S 3.9638 8.6977 122.2552 58.6140 62.3572 174.0339 100 K 3.9619 8.8292 129.3455 59.3867 32.2659 178.7245 101 K 3.7822 7.9027 118.1625 59.0785 32.2571 176.7236 102 H 4.7082 8.0932 114.6392 55.1049 29.3904 176.1936 103 A 3.9589 7.7771 126.2681 55.3697 18.1825 180.8369 104 E 3.9851 8.0132 111.8470 58.5173 29.7238 177.6596 105 K 4.0255 7.8214 117.7986 55.5686 32.6163 175.8333 106 N 3.9341 7.5699 115.5265 53.9293 36.6240 174.4715 107 W 5.0247 7.8761 117.6630 56.0679 30.7394 176.8080 108 F 5.4536 9.2395 123.6709 55.4911 41.6130 175.4812 109 V 4.0024 8.8876 121.1211 63.0145 32.6903 175.1599 110 G 4.4416 8.3170 111.8310 45.6313 0.0000 171.7308 111 L 5.2904 8.3050 120.3927 52.5108 45.2368 177.3468 112 K 4.2246 9.0620 123.5638 55.5969 32.8477 178.3088 113 K 4.0477 8.3476 119.1878 59.0762 31.9598 178.0306 114 N 4.5278 8.0289 114.1821 52.8968 37.8522 175.9455 115 G 3.6440 8.0869 109.1651 44.9370 0.0000 173.2036 116 S 4.8256 8.6761 116.1253 57.2666 64.6511 173.8644 117 C 4.7117 8.6207 118.0368 58.4910 30.1953 173.4184 118 K 4.3844 8.8303 121.2213 55.9756 33.3632 176.3195 119 R 4.5287 8.2201 120.0764 54.2716 32.0781 177.6154 120 G 3.3350 8.4669 112.8501 48.2515 0.0000 174.1526 121 P 4.3097 0.0000 0.0000 64.5406 31.3598 177.4110 122 R 4.3696 7.9746 115.6558 56.1630 30.3554 176.1512 123 T 5.1745 7.6249 108.4736 59.6134 70.9514 173.3165 124 H 4.6304 7.7280 115.4771 55.0800 30.3004 173.2508 125 Y 3.9726 8.6871 118.3646 59.9864 38.0834 177.0917 126 G 4.0688 9.0537 111.5074 45.4951 0.0000 173.9429 127 Q 4.2380 7.4351 118.7961 55.2520 29.9374 176.8690 128 K 3.8990 8.2070 118.1834 58.0936 32.9588 179.3121 129 A 3.9264 7.7563 121.6733 54.2857 18.3889 178.4898 130 I 4.4477 7.1724 106.3772 60.5340 38.5932 175.4038 131 L 4.3584 7.3086 123.0020 54.1129 42.4435 175.8821 132 F 5.3883 9.3561 122.5177 55.4922 43.3515 174.2045 133 L 5.1481 9.3157 122.7611 52.7976 45.0794 173.8134 134 P 5.1136 0.0000 0.0000 62.7111 31.4042 175.2362 135 L 4.8520 9.1168 126.8017 52.4051 43.7068 174.9578 136 P 4.6844 0.0000 0.0000 62.8870 32.2945 176.7319 137 V 3.8394 8.2301 113.0502 61.8600 31.6195 176.3177 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 1C H 8.44 4.76 0.00 3.09 3.44 0.00 5.64 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1D H 8.77 4.75 0.00 3.13 3.16 0.00 5.64 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 1E H 7.60 5.08 0.00 3.14 3.26 0.00 5.71 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 8.91 4.65 0.00 3.32 3.39 0.00 5.66 0.00 0.00 0.00 0.00 6.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1G F 8.38 4.83 0.00 2.90 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 2 N 8.44 4.64 0.00 2.96 2.78 0.00 0.00 6.86 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 8.08 4.79 0.00 1.47 1.39 0.61 0.42 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 4 P 0.00 4.46 0.00 2.15 2.10 0.00 3.67 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.90 0.00 5 P 0.00 4.40 0.00 2.17 2.10 0.00 3.76 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.93 0.00 6 G 8.71 4.07 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 0.00 0.00 0.00 7 N 7.98 4.57 0.00 2.61 2.65 0.00 0.00 5.93 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 8.02 4.90 0.00 3.05 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 9 K 8.59 4.08 0.00 1.85 1.92 0.00 1.73 0.00 0.00 1.72 0.00 0.00 3.02 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.51 1.55 7.81 10 K 7.65 4.73 0.00 1.75 1.73 0.00 1.77 0.00 0.00 1.77 0.00 0.00 3.07 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.36 1.41 7.81 11 P 0.00 4.79 0.00 2.11 2.19 0.00 3.77 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.01 0.00 12 K 9.51 4.95 0.00 1.76 1.89 0.00 1.74 0.00 0.00 1.74 0.00 0.00 2.86 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.58 1.50 7.81 13 L 9.53 5.32 0.00 1.89 2.04 0.84 -0.04 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 14 L 8.94 4.88 0.00 1.54 1.53 -0.24 0.67 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 9.19 4.53 0.00 2.97 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 16 C 8.20 3.97 0.00 2.27 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 17 S 7.99 3.76 0.00 3.83 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 18 N 7.98 4.20 0.00 2.60 2.63 0.00 0.00 6.70 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 19 G 7.32 3.97 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 0.00 0.00 0.00 20 G 7.93 3.36 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 0.00 21 H 7.42 4.90 0.00 3.05 3.24 0.00 5.81 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 F 9.50 5.05 0.00 3.19 3.19 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 23 L 9.27 4.69 0.00 1.86 1.65 1.03 0.12 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 24 R 9.95 5.41 0.00 1.99 2.07 0.00 3.29 0.00 0.00 3.40 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.60 0.00 25 I 8.01 5.06 2.15 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.21 0.64 0.00 0.00 26 L 8.93 4.12 0.00 1.93 1.50 0.92 1.10 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 27 P 0.00 4.17 0.00 1.99 2.08 0.00 3.55 0.00 0.00 3.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.93 0.00 28 D 7.90 4.38 0.00 2.79 2.80 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 29 G 8.31 4.15 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 0.00 0.00 0.00 0.00 0.00 0.00 30 T 8.57 4.15 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 1.30 0.00 0.00 31 V 8.10 4.90 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 1.01 0.00 0.00 1.04 0.00 0.00 32 D 8.91 4.63 0.00 2.86 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 33 G 8.80 4.64 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 34 T 9.03 5.02 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 1.40 0.00 0.00 35 R 8.91 4.50 0.00 1.91 2.06 0.00 3.24 0.00 0.00 3.13 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.54 0.00 36 D 8.25 4.60 0.00 2.80 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 37 R 8.39 3.65 0.00 1.70 1.73 0.00 3.31 0.00 0.00 3.24 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.58 1.49 0.00 38 S 8.12 4.27 0.00 3.94 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 39 D 7.52 4.32 0.00 2.81 2.56 0.00 0.00 0.00 0.00 0.00 0.00 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 8.42 4.31 0.00 1.80 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 7.28 0.00 0.00 0.00 0.00 0.00 2.21 2.21 0.00 41 H 8.85 4.86 0.00 3.19 3.28 0.00 5.75 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 I 7.31 4.74 2.01 0.00 0.00 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.98 1.00 0.00 0.00 43 Q 7.57 4.32 0.00 1.91 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.02 6.87 0.00 0.00 0.00 0.00 0.00 2.35 2.38 0.00 44 W 9.39 5.33 0.00 3.31 2.98 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 45 Q 9.53 4.92 0.00 2.11 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.80 0.00 0.00 0.00 0.00 0.00 2.26 2.39 0.00 46 L 8.94 5.63 0.00 1.60 1.21 0.94 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 47 S 8.16 4.58 0.00 3.92 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 48 A 8.32 4.99 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 49 E 9.15 3.90 0.00 1.72 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 2.25 2.39 0.00 50 S 6.71 4.73 0.00 4.09 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 51 V 8.20 3.87 2.32 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 0.94 0.00 0.00 1.03 0.00 0.00 52 G 9.23 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 53 E 8.10 5.14 0.00 1.95 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 2.21 2.28 0.00 54 V 8.63 4.83 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 0.64 0.00 0.00 1.07 0.00 0.00 55 Y 8.73 5.25 0.00 3.02 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 56 I 8.65 4.36 1.50 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.57 0.11 0.00 0.00 57 K 8.71 4.94 0.00 1.21 1.46 0.00 1.29 0.00 0.00 0.61 0.00 0.00 2.65 0.00 0.00 2.71 0.00 0.00 0.00 0.00 1.01 0.73 7.81 58 S 9.10 4.11 0.00 3.20 3.42 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 59 T 8.31 3.96 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 1.16 0.00 0.00 60 E 8.02 4.17 0.00 1.84 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 2.16 2.31 0.00 61 T 7.11 4.37 4.18 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 1.15 0.00 0.00 62 G 8.20 3.80 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 0.00 63 Q 7.53 4.43 0.00 1.98 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.93 6.74 0.00 0.00 0.00 0.00 0.00 2.53 2.32 0.00 64 Y 9.20 4.82 0.00 2.96 2.96 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 65 L 9.22 4.54 0.00 1.50 1.37 0.84 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 66 A 8.76 4.88 0.66 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 0.00 0.00 0.00 0.00 0.00 0.00 67 M 8.61 5.37 0.00 2.18 2.19 0.00 0.00 0.00 0.00 0.00 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.64 0.00 68 D 9.72 5.25 0.00 2.94 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 69 T 8.53 4.22 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 1.34 0.00 0.00 70 D 8.40 4.66 0.00 2.78 2.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 G 8.63 3.13 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 72 L 8.04 4.77 0.00 2.05 1.62 0.89 0.40 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 73 L 8.30 5.17 0.00 1.58 1.64 0.89 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 74 Y 8.96 4.85 0.00 3.02 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 75 G 8.46 4.49 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 S 9.07 5.10 0.00 3.80 3.74 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 77 Q 9.07 4.10 0.00 2.15 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.49 0.00 0.00 0.00 0.00 0.00 2.43 2.33 0.00 78 T 7.54 4.58 4.18 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 1.23 0.00 0.00 79 P 0.00 3.89 0.00 0.75 0.49 0.00 3.45 0.00 0.00 3.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.24 0.00 80 N 7.87 5.13 0.00 2.94 2.97 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 8.80 4.04 0.00 2.04 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 0.00 2.28 2.34 0.00 82 E 9.07 4.15 0.00 2.17 2.29 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 2.37 2.47 0.00 83 C 7.98 4.79 0.00 3.24 3.22 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 84 L 7.31 4.26 0.00 1.35 1.31 0.79 0.22 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 85 F 8.86 5.16 0.00 3.02 2.98 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 86 L 9.17 4.80 0.00 1.49 1.56 0.86 0.92 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 87 E 8.89 4.40 0.00 2.11 1.90 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 2.18 1.95 0.00 88 R 8.45 4.78 0.00 1.76 1.76 0.00 3.05 0.00 0.00 2.82 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.59 0.00 89 L 8.66 4.73 0.00 1.59 1.68 0.99 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 90 E 9.18 4.71 0.00 2.17 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 2.32 2.44 0.00 91 E 9.70 3.97 0.00 2.36 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 0.00 2.30 2.41 0.00 92 N 8.56 4.31 0.00 2.81 2.86 0.00 0.00 6.86 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 8.55 4.74 0.00 2.79 2.86 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 7.71 4.61 0.00 3.00 2.98 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 95 N 9.36 5.53 0.00 2.95 2.46 0.00 0.00 6.95 6.80 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 96 T 8.76 5.19 4.54 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 0.00 0.00 0.00 1.37 0.00 0.00 97 Y 8.53 5.02 0.00 2.67 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 98 I 8.33 4.56 1.63 0.00 0.00 0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 0.49 0.62 0.00 0.00 99 S 8.70 3.96 0.00 4.02 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 0.00 100 K 8.83 3.96 0.00 1.68 1.66 0.00 1.66 0.00 0.00 1.45 0.00 0.00 2.79 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.33 1.29 7.81 101 K 7.90 3.78 0.00 1.75 1.61 0.00 1.82 0.00 0.00 1.65 0.00 0.00 3.02 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.04 1.31 7.81 102 H 8.09 4.71 0.00 3.22 2.55 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 7.78 3.96 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 0.00 104 E 8.01 3.99 0.00 1.90 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 2.10 2.15 0.00 105 K 7.82 4.03 0.00 0.79 1.07 0.00 0.61 0.00 0.00 0.61 0.00 0.00 2.56 0.00 0.00 2.64 0.00 0.00 0.00 0.00 0.99 0.87 7.81 106 N 7.57 3.93 0.00 3.01 3.09 0.00 0.00 6.92 7.65 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 0.00 107 W 7.88 5.02 0.00 3.29 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 0.00 108 F 9.24 5.45 0.00 2.79 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.89 4.00 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 0.52 0.00 0.00 0.46 0.00 0.00 110 G 8.32 4.44 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 0.00 111 L 8.30 5.29 0.00 1.35 1.42 1.02 1.01 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 9.06 4.22 0.00 1.93 1.68 0.00 1.62 0.00 0.00 1.60 0.00 0.00 2.88 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.40 1.51 7.81 113 K 8.35 4.05 0.00 1.71 1.85 0.00 1.70 0.00 0.00 1.72 0.00 0.00 2.95 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.56 1.36 7.81 114 N 8.03 4.53 0.00 2.79 2.90 0.00 0.00 6.24 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 8.09 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 0.00 116 S 8.68 4.83 0.00 3.84 3.97 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 0.00 117 C 8.62 4.71 0.00 3.01 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.83 4.38 0.00 1.59 1.74 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 1.40 1.36 7.81 119 R 8.22 4.53 0.00 1.72 1.59 0.00 3.06 0.00 0.00 3.28 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.53 0.00 120 G 8.47 3.33 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 0.00 0.00 0.00 0.00 121 P 0.00 4.31 0.00 1.94 2.20 0.00 3.07 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.78 0.00 122 R 7.97 4.37 0.00 1.82 1.92 0.00 3.29 0.00 0.00 3.27 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.65 0.00 123 T 7.62 5.17 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 1.37 0.00 0.00 124 H 7.73 4.63 0.00 3.44 3.52 0.00 5.67 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 Y 8.69 3.97 0.00 3.13 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 0.00 126 G 9.05 4.07 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 0.00 0.00 0.00 127 Q 7.44 4.24 0.00 1.81 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.94 6.67 0.00 0.00 0.00 0.00 0.00 2.15 2.02 0.00 128 K 8.21 3.90 0.00 1.77 1.63 0.00 1.53 0.00 0.00 1.67 0.00 0.00 2.83 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.38 1.27 7.81 129 A 7.76 3.93 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 0.00 130 I 7.17 4.45 1.70 0.00 0.00 0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.88 0.49 0.00 0.00 131 L 7.31 4.36 0.00 1.02 0.74 0.48 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 132 F 9.36 5.39 0.00 3.31 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 0.00 133 L 9.32 5.15 0.00 2.02 1.71 0.90 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 134 P 0.00 5.11 0.00 2.24 2.26 0.00 3.91 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.09 0.00 135 L 9.12 4.85 0.00 1.79 1.70 0.87 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 136 P 0.00 4.68 0.00 2.10 2.09 0.00 3.81 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.03 0.00 137 V 8.23 3.84 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 0.76 0.00 0.00 0.95 0.00 0.00