NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.9980 8.3549 109.7393 45.6327 0.0000 173.3433 2 L 4.5019 8.3386 123.8803 50.6708 44.4520 175.1858 3 S 4.5496 9.6253 119.1064 57.7722 66.3719 175.0284 4 D 4.6681 8.6705 121.4295 57.4714 40.5576 179.1685 5 G 3.6940 8.1210 105.7822 47.9548 0.0000 175.4467 6 E 3.9395 8.2029 121.0161 58.9126 29.3792 179.4753 7 W 4.3132 8.2156 119.0578 59.7172 29.0559 178.3661 8 Q 4.0548 8.4362 119.6653 59.3128 28.4395 178.3377 9 Q 4.0392 8.1182 119.0390 58.8387 28.7615 178.8077 10 V 3.6861 8.0751 119.3847 66.2926 31.4603 178.1642 11 L 4.2939 8.1503 116.6678 57.0940 41.8255 178.7356 12 N 4.5235 8.2026 117.8669 56.6503 38.9641 177.0835 13 V 3.6447 8.2127 119.9609 65.7136 31.5362 177.7641 14 W 4.2524 8.6097 128.1339 59.9722 30.2423 178.1116 15 G 3.5886 7.7573 104.7972 47.4592 0.0000 175.6611 16 K 3.9873 7.8488 120.7824 59.3092 32.0541 179.5100 17 V 2.6940 7.0411 117.8727 65.7595 31.0998 177.7357 18 E 3.8599 7.6231 116.5364 58.7098 29.2630 178.7712 19 A 4.1869 7.2590 120.4452 53.9777 19.8300 177.6936 20 D 4.6641 7.7109 116.1638 52.3267 42.8670 175.2554 21 I 3.5686 7.7549 123.3449 63.7858 38.4654 176.6888 22 A 4.1746 7.4041 122.6929 54.2958 18.2770 179.7928 23 G 3.5473 8.0899 105.4874 47.8367 0.0000 175.7963 24 H 4.1556 8.3281 119.3670 58.2135 28.6524 178.1887 25 G 3.5480 8.3824 107.9772 47.7243 0.0000 175.4874 26 Q 3.8098 8.2859 122.5780 59.0350 29.0815 178.3257 27 E 3.8499 8.0992 119.5162 59.1444 29.3962 179.5877 28 V 3.5074 7.8574 118.4645 65.9144 31.5308 178.1495 29 L 3.4177 7.5910 118.6526 57.6466 41.2882 179.5504 30 I 3.5009 7.5854 119.8630 64.2583 37.0002 178.4749 31 R 3.7769 8.0078 119.6614 59.1019 29.8371 178.3837 32 L 3.9519 7.6080 120.1152 58.2511 41.9855 179.0471 33 F 4.5274 8.0271 118.2663 60.8801 38.6297 177.8971 34 T 4.1172 8.1603 108.9202 64.7173 68.7460 176.7078 35 G 3.6491 7.9270 107.6537 46.1440 0.0000 173.5577 36 H 4.7282 8.1288 117.7734 51.7173 29.7644 171.6816 37 P 4.4263 0.0000 0.0000 64.5896 31.4236 177.4803 38 E 4.1086 8.2377 116.1821 59.4495 29.4867 179.1089 39 T 3.7676 8.0722 111.0263 64.5255 68.7053 176.1772 40 L 3.4286 7.7029 122.7197 57.8312 41.8166 178.6392 41 E 4.1479 7.9185 116.7119 58.5070 29.4435 178.6760 42 K 4.4606 8.0358 117.5550 56.8206 32.7267 176.7242 43 F 4.6207 8.0920 118.9789 55.5274 38.7140 176.1593 44 D 4.4380 8.6401 126.8022 56.3384 40.7887 177.8020 45 K 4.3013 7.8057 115.8934 56.7449 33.2864 176.6127 46 F 5.1261 8.0144 117.0836 57.0241 40.6729 176.9664 47 K 3.9634 8.2703 120.5195 59.5419 31.9357 177.8112 48 H 4.2593 8.1479 112.6332 57.2821 28.5920 175.4104 49 L 4.2453 7.4147 120.5169 54.5265 40.2926 176.6012 50 K 4.2136 9.1700 125.1366 57.8088 32.8232 177.9709 51 T 4.7435 7.5091 107.8539 58.9482 73.2999 174.2749 52 E 3.9420 8.6255 121.0825 59.0577 29.6390 178.6304 53 A 3.9609 7.9281 120.6033 55.2826 18.3105 179.2598 54 E 3.9449 8.0323 115.7092 59.6553 29.7842 179.3009 55 M 4.1333 7.9382 118.7154 58.4490 31.9152 178.8236 56 K 3.9254 8.3938 118.1830 58.9158 32.4174 177.6952 57 A 4.4771 7.7497 118.6289 51.3227 19.1034 176.8546 58 S 4.3910 7.6253 114.1713 57.3846 62.9056 174.7841 59 E 4.0341 8.8277 128.3665 59.3456 29.2429 178.6133 60 D 4.5162 8.1637 117.7948 56.9459 41.4071 177.8562 61 L 3.7161 7.9512 120.9227 57.6959 41.9962 178.8015 62 K 3.9296 7.8585 119.8818 59.0808 32.1027 178.7326 63 K 3.9170 8.1080 120.0067 59.9874 32.1489 178.3971 64 H 4.4435 8.8088 118.6780 59.0002 29.7711 177.4125 65 G 3.5952 8.1451 107.9348 48.0513 0.0000 175.8901 66 T 3.9308 7.8625 118.1688 66.2455 68.5062 177.0324 67 V 3.6705 7.7546 120.2617 65.9045 31.5761 178.2691 68 V 3.6110 8.0683 118.2131 66.2494 31.4641 178.1346 69 L 4.2765 8.0819 118.6351 57.9767 41.3970 179.6717 70 T 4.0245 8.2696 115.8004 66.4718 68.4909 176.5361 71 A 3.9793 7.9319 122.2025 55.1818 18.4267 179.4539 72 L 3.7370 8.0731 119.0381 58.0704 42.0834 179.4234 73 G 3.1175 8.6687 106.3439 47.4934 0.0000 175.9624 74 G 3.5954 7.8377 107.2297 47.4499 0.0000 175.6810 75 I 3.8535 7.4858 121.6075 64.2263 37.1110 178.4724 76 L 3.9573 7.6903 119.8877 57.6648 41.1885 179.4345 77 K 3.9634 7.5308 116.4055 58.0460 32.3403 178.5658 78 K 3.9627 7.9328 118.6301 55.7978 32.7224 176.4691 79 K 2.0000 8.3950 118.2648 56.4703 29.8306 174.4249 80 G 4.0696 7.9845 105.7463 46.2069 0.0000 174.2244 81 H 4.4965 7.3651 117.8463 55.0404 27.4014 174.8472 82 H 5.3936 7.2546 111.2206 54.3164 29.7474 176.3261 83 E 3.8934 8.6224 121.9525 60.3212 29.0275 178.5148 84 A 3.9959 7.9493 118.4410 55.2794 18.9013 178.9354 85 E 4.1185 8.0799 116.5424 59.1322 29.7024 179.0320 86 L 3.9301 8.5074 120.8546 57.8102 42.1988 178.3207 87 K 3.8031 8.1830 120.0214 59.4518 32.0408 176.6677 88 P 4.2681 0.0000 0.0000 65.9006 31.0425 178.3156 89 L 4.0338 7.4924 116.2571 57.5574 41.5943 179.1254 90 A 4.0918 8.1763 120.8363 55.4214 18.3260 179.7782 91 Q 3.9345 8.3341 116.8360 59.0419 28.7945 179.0858 92 S 4.1570 8.1539 115.4233 61.6707 63.1036 176.2716 93 H 4.3509 8.6089 119.5353 57.9317 27.4579 177.5606 94 A 2.5800 7.7354 122.6153 54.3853 18.3618 179.6842 95 T 3.7189 7.6224 112.9462 66.0659 68.8517 176.3673 96 K 4.0114 7.4104 119.6123 59.0059 32.6083 177.2146 97 H 4.4385 8.1405 113.8371 55.5911 29.3671 175.1519 98 K 3.5801 6.8200 118.2602 57.2681 29.6732 176.5933 99 I 4.3043 8.1335 120.2661 58.9849 37.4765 174.8980 100 P 4.5724 0.0000 0.0000 62.3110 31.7688 177.4118 101 I 3.6480 8.5758 119.4912 63.9674 37.6971 178.0639 102 K 3.6842 7.8294 120.2722 59.7083 31.9267 178.1558 103 Y 4.2151 7.8429 116.9258 60.9560 37.7893 178.3381 104 L 4.1562 7.8574 119.5177 57.3403 41.7210 178.9988 105 E 3.9813 7.8191 119.6139 59.1336 29.5546 178.5787 106 F 4.5160 7.9347 117.8755 60.9961 39.0737 177.6174 107 I 3.8030 8.3001 118.1197 64.0447 37.6642 178.1499 108 S 4.2282 8.1245 115.8163 61.8270 62.6502 176.4101 109 D 4.4930 8.3850 121.3641 57.2399 40.4603 178.6980 110 A 4.0423 8.3341 121.6140 55.0906 18.3318 179.8094 111 I 3.7014 7.8672 118.5405 64.6207 37.0566 178.7238 112 I 3.9005 7.7588 120.4248 64.4562 36.8915 178.0064 113 H 4.1544 8.6045 119.3798 59.3992 29.7530 177.5193 114 V 3.5572 8.0481 120.1644 65.9435 31.2818 177.9291 115 L 3.8639 7.8878 118.7470 58.0698 41.1018 179.2797 116 H 4.3965 7.8151 115.1379 58.8013 28.7319 177.5369 117 S 4.1771 7.9756 114.1653 61.2598 62.3721 175.9448 118 K 4.0976 8.1813 119.5392 57.7046 33.2404 176.7100 119 H 4.9575 8.0654 116.3850 53.5459 29.4067 171.9803 120 P 4.4887 0.0000 0.0000 64.3482 31.7634 177.4653 121 G 3.9869 9.1539 110.5313 45.7359 0.0000 172.8418 122 D 4.9904 8.3294 117.7567 53.6959 41.8914 176.0872 123 F 5.0426 8.0478 119.0666 54.3981 39.2694 174.5387 124 G 3.8235 8.0780 111.6994 43.9053 0.0000 170.6895 125 A 3.8846 8.4074 122.0378 55.2237 18.3532 179.8486 126 D 4.2633 7.9912 116.8037 56.3275 39.5224 178.5680 127 A 3.9755 7.6408 121.7852 55.0522 18.5324 179.1928 128 Q 3.6286 7.8377 118.6135 58.8879 28.9791 178.6922 129 G 3.5157 7.9493 106.5770 47.7828 0.0000 175.5901 130 A 3.8657 7.9891 123.7884 54.9177 18.4232 179.4209 131 M 4.0604 8.2681 116.7693 58.9422 32.2582 178.6475 132 T 3.9173 8.1200 116.0182 66.6104 68.6465 176.6860 133 K 4.0143 7.9680 120.1564 59.4481 32.0487 179.2362 134 A 3.8755 7.8554 120.8907 55.2342 18.2978 179.7844 135 L 4.1187 8.1147 117.3793 57.7906 41.6391 179.6166 136 E 4.0390 8.3752 119.0120 59.0573 29.4411 178.9597 137 L 3.9998 8.1889 120.6076 57.9795 42.1616 178.7729 138 F 4.1479 8.4308 120.6098 61.3940 39.3186 177.0940 139 R 3.5631 8.2703 118.3792 59.3665 30.0130 177.9884 140 N 4.2237 8.6067 117.1990 56.7529 38.8096 176.6300 141 D 4.3900 8.1641 120.3020 57.0234 40.8356 178.8484 142 I 3.5025 7.2774 120.0411 64.0542 37.0364 178.1014 143 A 3.7286 7.9353 121.5798 54.9784 18.0937 179.5432 144 A 3.9452 7.8202 118.8810 55.4078 18.6218 180.1038 145 K 4.0454 7.8414 117.0791 59.6672 32.0514 179.3203 146 Y 4.2750 8.2871 117.4049 60.9962 37.8273 178.3305 147 K 3.9965 8.3888 120.6771 59.2926 32.0484 178.2697 148 E 3.9256 7.9876 118.8389 59.4107 29.7038 178.4222 149 L 4.3248 7.8213 115.3990 54.5848 41.9192 177.5623 150 G 3.8838 7.6688 106.7343 46.1319 0.0000 173.2729 151 F 4.4116 8.1449 121.7058 57.1521 40.0914 175.6316 152 Q 3.7731 7.3040 125.1594 55.8761 29.2066 175.2191 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 1 G 8.35 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 0.00 0.00 0.00 2 L 8.34 4.50 0.00 0.65 0.70 0.54 -0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 3 S 9.63 4.55 0.00 4.04 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 4 D 8.67 4.67 0.00 2.77 2.84 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 0.00 0.00 0.00 5 G 8.12 3.69 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 0.00 0.00 0.00 6 E 8.20 3.94 0.00 2.01 1.73 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 2.23 2.27 0.00 7 W 8.22 4.31 0.00 3.54 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 8 Q 8.44 4.05 0.00 2.31 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.81 0.00 0.00 0.00 0.00 0.00 2.41 2.46 0.00 9 Q 8.12 4.04 0.00 2.30 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.56 0.00 0.00 0.00 0.00 0.00 2.40 2.51 0.00 10 V 8.08 3.69 2.47 0.00 0.00 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 0.84 0.00 0.00 11 L 8.15 4.29 0.00 1.76 1.81 0.91 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 12 N 8.20 4.52 0.00 2.99 3.02 0.00 0.00 6.65 7.87 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 13 V 8.21 3.64 2.39 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 0.87 0.00 0.00 1.25 0.00 0.00 14 W 8.61 4.25 0.00 3.61 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 15 G 7.76 3.59 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 0.00 0.00 0.00 16 K 7.85 3.99 0.00 1.68 1.53 0.00 1.42 0.00 0.00 0.90 0.00 0.00 2.92 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.23 1.29 7.81 17 V 7.04 2.69 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 0.00 0.00 0.05 0.00 0.00 0.21 0.00 0.00 18 E 7.62 3.86 0.00 1.85 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 2.24 2.19 0.00 19 A 7.26 4.19 1.26 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 20 D 7.71 4.66 0.00 2.72 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 21 I 7.75 3.57 1.76 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 1.53 1.31 0.88 0.00 0.00 22 A 7.40 4.17 1.30 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 0.00 0.00 0.00 0.00 0.00 0.00 23 G 8.09 3.55 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 0.00 0.00 0.00 0.00 24 H 8.33 4.16 0.00 3.08 3.22 0.00 5.82 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 G 8.38 3.55 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 0.00 0.00 0.00 0.00 26 Q 8.29 3.81 0.00 2.12 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.75 0.00 0.00 0.00 0.00 0.00 2.25 2.31 0.00 27 E 8.10 3.85 0.00 1.96 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 2.24 2.37 0.00 28 V 7.86 3.51 2.16 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 1.02 0.00 0.00 0.98 0.00 0.00 29 L 7.59 3.42 0.00 1.48 0.76 0.80 0.62 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 30 I 7.59 3.50 1.75 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.70 0.85 0.00 0.00 31 R 8.01 3.78 0.00 1.92 2.09 0.00 3.00 0.00 0.00 2.89 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.62 0.00 32 L 7.61 3.95 0.00 1.83 1.51 1.10 1.15 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 33 F 8.03 4.53 0.00 2.96 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 34 T 8.16 4.12 4.21 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 1.30 0.00 0.00 35 G 7.93 3.65 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 0.00 0.00 0.00 36 H 8.13 4.73 0.00 3.05 3.18 0.00 5.65 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 P 0.00 4.43 0.00 2.15 2.11 0.00 3.85 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.11 0.00 38 E 8.24 4.11 0.00 2.30 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 0.00 2.32 2.60 0.00 39 T 8.07 3.77 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 0.73 0.00 0.00 40 L 7.70 3.43 0.00 1.43 1.71 -0.09 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 41 E 7.92 4.15 0.00 2.23 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 2.37 2.53 0.00 42 K 8.04 4.46 0.00 1.95 1.76 0.00 1.93 0.00 0.00 1.80 0.00 0.00 3.22 0.00 0.00 3.22 0.00 0.00 0.00 0.00 1.75 1.99 7.81 43 F 8.09 4.62 0.00 3.28 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 44 D 8.64 4.44 0.00 2.64 2.72 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 45 K 7.81 4.30 0.00 1.60 1.71 0.00 1.30 0.00 0.00 1.48 0.00 0.00 2.69 0.00 0.00 2.55 0.00 0.00 0.00 0.00 0.79 0.21 7.81 46 F 8.01 5.13 0.00 2.87 2.68 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 47 K 8.27 3.96 0.00 1.77 1.90 0.00 1.77 0.00 0.00 1.77 0.00 0.00 3.18 0.00 0.00 3.22 0.00 0.00 0.00 0.00 1.47 1.75 7.81 48 H 8.15 4.26 0.00 3.26 3.47 0.00 5.72 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 L 7.41 4.25 0.00 1.67 1.63 0.82 0.78 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 50 K 9.17 4.21 0.00 1.72 1.86 0.00 1.66 0.00 0.00 1.75 0.00 0.00 3.03 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.63 1.52 7.81 51 T 7.51 4.74 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 1.21 0.00 0.00 52 E 8.63 3.94 0.00 2.04 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 2.35 2.35 0.00 53 A 7.93 3.96 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 54 E 8.03 3.94 0.00 2.13 2.04 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 2.36 2.36 0.00 55 M 7.94 4.13 0.00 2.04 2.26 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.80 2.55 0.00 56 K 8.39 3.93 0.00 1.63 2.01 0.00 1.81 0.00 0.00 1.66 0.00 0.00 3.08 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.42 1.48 7.81 57 A 7.75 4.48 1.33 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 58 S 7.63 4.39 0.00 4.04 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 59 E 8.83 4.03 0.00 2.06 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 0.00 2.42 2.32 0.00 60 D 8.16 4.52 0.00 2.91 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 61 L 7.95 3.72 0.00 1.38 1.65 0.61 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 62 K 7.86 3.93 0.00 1.81 1.99 0.00 1.69 0.00 0.00 1.56 0.00 0.00 2.86 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.43 1.57 7.81 63 K 8.11 3.92 0.00 2.07 2.05 0.00 1.75 0.00 0.00 1.81 0.00 0.00 2.95 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.53 1.51 7.81 64 H 8.81 4.44 0.00 3.76 3.56 0.00 5.84 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 G 8.15 3.60 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 0.00 0.00 0.00 66 T 7.86 3.93 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 1.23 0.00 0.00 67 V 7.75 3.67 2.20 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 1.04 0.00 0.00 1.02 0.00 0.00 68 V 8.07 3.61 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 1.07 0.00 0.00 1.04 0.00 0.00 69 L 8.08 4.28 0.00 1.79 1.81 0.81 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 70 T 8.27 4.02 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 1.26 0.00 0.00 71 A 7.93 3.98 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 72 L 8.07 3.74 0.00 1.61 1.82 0.02 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 73 G 8.67 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 0.00 0.00 0.00 74 G 7.84 3.60 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 0.00 0.00 0.00 75 I 7.49 3.85 1.88 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.92 0.96 0.00 0.00 76 L 7.69 3.96 0.00 1.24 1.52 0.07 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 77 K 7.53 3.96 0.00 1.77 1.77 0.00 1.67 0.00 0.00 1.69 0.00 0.00 3.11 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.39 1.51 7.81 78 K 7.93 3.96 0.00 1.81 1.82 0.00 1.74 0.00 0.00 1.59 0.00 0.00 2.98 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.59 1.58 7.81 79 K 8.40 2.00 0.00 1.15 0.74 0.00 1.30 0.00 0.00 1.53 0.00 0.00 2.79 0.00 0.00 2.77 0.00 0.00 0.00 0.00 0.45 0.98 7.81 80 G 7.98 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 81 H 7.37 4.50 0.00 3.13 3.24 0.00 5.80 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 H 7.25 5.39 0.00 3.28 3.44 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 83 E 8.62 3.89 0.00 2.11 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 0.00 2.39 2.47 0.00 84 A 7.95 4.00 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 85 E 8.08 4.12 0.00 2.23 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 0.00 2.40 2.43 0.00 86 L 8.51 3.93 0.00 1.74 1.70 0.76 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 87 K 8.18 3.80 0.00 1.96 1.83 0.00 1.87 0.00 0.00 1.70 0.00 0.00 2.98 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.45 1.49 7.81 88 P 0.00 4.27 0.00 2.32 2.32 0.00 3.70 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 2.26 2.17 0.00 89 L 7.49 4.03 0.00 1.98 1.77 1.03 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 90 A 8.18 4.09 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 91 Q 8.33 3.93 0.00 2.10 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.76 0.00 0.00 0.00 0.00 0.00 2.38 2.58 0.00 92 S 8.15 4.16 0.00 3.95 4.10 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 93 H 8.61 4.35 0.00 3.49 3.56 0.00 5.80 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 A 7.74 2.58 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 T 7.62 3.72 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 1.11 0.00 0.00 96 K 7.41 4.01 0.00 1.54 1.58 0.00 1.69 0.00 0.00 1.59 0.00 0.00 2.97 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.28 1.36 7.81 97 H 8.14 4.44 0.00 3.12 3.15 0.00 5.86 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 K 6.82 3.58 0.00 2.13 2.00 0.00 1.74 0.00 0.00 1.80 0.00 0.00 2.95 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.34 1.54 7.81 99 I 8.13 4.30 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 1.53 0.93 1.18 0.00 0.00 100 P 0.00 4.57 0.00 1.88 1.90 0.00 3.25 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 0.49 1.19 0.00 101 I 8.58 3.65 1.86 0.00 0.00 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.07 0.87 0.00 0.00 102 K 7.83 3.68 0.00 1.72 1.52 0.00 1.63 0.00 0.00 1.73 0.00 0.00 3.15 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.40 0.69 7.81 103 Y 7.84 4.22 0.00 3.24 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 0.00 104 L 7.86 4.16 0.00 1.82 1.74 1.06 1.02 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 0.00 105 E 7.82 3.98 0.00 1.93 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 2.40 2.38 0.00 106 F 7.93 4.52 0.00 3.32 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 0.00 107 I 8.30 3.80 2.05 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.42 1.11 0.00 0.00 108 S 8.12 4.23 0.00 4.19 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 0.00 109 D 8.39 4.49 0.00 2.99 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 0.00 110 A 8.33 4.04 1.42 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 0.00 111 I 7.87 3.70 2.13 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.05 0.99 0.00 0.00 112 I 7.76 3.90 2.15 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.74 1.15 0.00 0.00 113 H 8.60 4.15 0.00 3.37 3.52 0.00 5.79 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 V 8.05 3.56 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 0.95 0.00 0.00 115 L 7.89 3.86 0.00 1.30 0.56 0.41 0.65 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 0.00 116 H 7.82 4.40 0.00 3.28 3.38 0.00 5.66 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 S 7.98 4.18 0.00 3.81 3.92 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 0.00 0.00 0.00 0.00 118 K 8.18 4.10 0.00 1.49 1.48 0.00 1.54 0.00 0.00 1.23 0.00 0.00 2.55 0.00 0.00 2.41 0.00 0.00 0.00 0.00 1.28 1.45 7.81 119 H 8.07 4.96 0.00 3.23 3.18 0.00 5.63 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 0.00 120 P 0.00 4.49 0.00 2.19 2.09 0.00 3.90 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.96 0.00 121 G 9.15 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 0.00 0.00 0.00 122 D 8.33 4.99 0.00 2.63 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 0.00 123 F 8.05 5.04 0.00 2.79 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 0.00 124 G 8.08 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 0.00 0.00 0.00 125 A 8.41 3.88 1.26 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 0.00 126 D 7.99 4.26 0.00 2.92 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 0.00 127 A 7.64 3.98 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 0.00 128 Q 7.84 3.63 0.00 1.26 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.75 0.00 0.00 0.00 0.00 0.00 2.29 2.30 0.00 129 G 7.95 3.52 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 0.00 0.00 0.00 130 A 7.99 3.87 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 0.00 131 M 8.27 4.06 0.00 2.42 2.35 0.00 0.00 0.00 0.00 0.00 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.74 2.80 0.00 132 T 8.12 3.92 4.41 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 1.23 0.00 0.00 133 K 7.97 4.01 0.00 1.81 1.69 0.00 1.59 0.00 0.00 1.59 0.00 0.00 2.79 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.39 1.55 7.81 134 A 7.86 3.88 1.33 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 0.00 135 L 8.11 4.12 0.00 1.93 1.83 1.05 0.73 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 0.00 136 E 8.38 4.04 0.00 2.19 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 2.35 2.52 0.00 137 L 8.19 4.00 0.00 1.90 1.98 0.99 1.01 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 0.00 138 F 8.43 4.15 0.00 3.13 3.29 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 0.00 139 R 8.27 3.56 0.00 2.13 2.05 0.00 3.19 0.00 0.00 3.14 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.52 0.00 140 N 8.61 4.22 0.00 2.95 2.78 0.00 0.00 7.26 8.35 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 0.00 141 D 8.16 4.39 0.00 2.69 2.68 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 0.00 142 I 7.28 3.50 1.50 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.07 0.22 0.00 0.00 143 A 7.94 3.73 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 0.00 144 A 7.82 3.95 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 0.00 145 K 7.84 4.05 0.00 1.96 1.95 0.00 1.70 0.00 0.00 1.76 0.00 0.00 2.95 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.66 1.62 7.81 146 Y 8.29 4.28 0.00 3.20 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 0.00 147 K 8.39 4.00 0.00 1.87 1.99 0.00 1.66 0.00 0.00 1.58 0.00 0.00 2.89 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.45 1.46 7.81 148 E 7.99 3.93 0.00 2.20 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 2.34 2.38 0.00 149 L 7.82 4.32 0.00 1.82 1.68 0.85 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 0.00 150 G 7.67 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 0.00 151 F 8.14 4.41 0.00 2.75 2.62 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 0.00 152 Q 7.30 3.77 0.00 1.72 1.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.88 6.42 0.00 0.00 0.00 0.00 0.00 2.08 2.12 0.00