NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 7 L 4.4533 8.1849 120.6418 56.0928 43.0503 175.0695 8 H 4.3580 8.4409 113.9052 55.2571 32.5567 172.0713 9 K 4.5308 9.3022 125.1231 56.0763 34.1875 175.8645 10 E 4.9718 9.1381 122.0236 53.6228 34.0376 173.4578 11 P 4.8527 0.0000 0.0000 63.5267 31.9338 175.1802 12 A 5.0520 8.3376 122.2544 51.0009 22.9366 175.4125 13 T 4.6375 8.9565 109.6939 59.4511 71.8341 173.2244 14 L 4.2864 8.6418 127.2786 55.7426 42.3721 175.1482 15 I 4.3815 8.5607 125.7116 62.1721 39.0595 175.8089 16 K 4.4939 8.3630 121.7675 55.2744 36.0641 173.7394 17 A 4.6304 8.6162 129.9240 51.1384 19.1190 176.9890 18 I 3.8862 8.6849 124.0765 64.0516 37.8888 175.9404 19 D 4.5402 7.9234 117.2035 52.6423 41.4889 174.0724 20 G 4.0431 8.9819 107.4679 49.2946 0.0000 174.1971 21 E 4.4603 8.2189 116.2060 55.7620 30.6869 174.9921 22 T 5.2646 8.0215 117.7749 61.9348 72.1326 173.2847 23 V 4.7701 8.7616 125.3757 59.8590 35.2821 174.5477 24 K 5.0450 9.4368 123.5866 55.5958 33.7726 175.7737 25 L 5.2506 9.0522 123.4706 53.2423 46.8770 175.1482 26 M 4.8313 9.3338 123.0207 55.1507 33.3715 174.3443 27 Y 4.9751 8.8366 127.2183 56.3864 42.7669 175.2181 28 K 3.6643 9.0501 124.2191 57.3882 29.8708 175.5956 29 G 3.9427 8.4335 102.4310 46.1417 0.0000 173.5354 30 Q 4.6191 8.2098 120.8909 53.0238 32.0974 172.9199 31 P 4.9532 0.0000 0.0000 63.2345 32.1167 175.3911 32 M 4.8906 9.3013 123.2020 54.2367 36.4822 173.6513 33 T 4.6892 8.4219 120.8542 62.9932 70.4297 173.5672 34 F 5.0228 9.2572 124.8957 55.5638 42.3084 174.1243 35 R 4.9685 8.8728 123.6413 54.4513 32.1340 175.0153 36 L 4.4573 9.0834 127.0901 54.3966 42.2917 176.4871 37 L 3.8394 8.2860 126.8420 56.5618 42.5438 177.3661 38 L 4.0979 8.8050 122.6112 55.3190 39.3559 173.8988 39 V 4.8985 7.4798 111.3605 59.4118 35.4034 174.5917 40 D 5.0604 9.2356 124.1229 52.8272 43.1540 175.0783 41 T 4.7966 9.0241 116.9796 59.2858 70.9770 173.0479 42 P 4.5443 0.0000 0.0000 62.8573 32.2561 175.6011 43 E 4.7292 8.5612 118.9177 55.1756 31.4973 177.3731 44 T 4.0411 8.4103 111.2792 62.6783 70.0599 175.4366 45 K 4.6607 7.6762 119.8398 54.5096 35.0421 174.8174 46 H 4.8189 8.6378 123.1772 53.3813 32.7182 171.8436 47 P 4.2397 0.0000 0.0000 65.7576 31.6856 177.6261 48 K 4.3779 7.6333 119.6434 52.5937 30.6533 174.8013 49 K 4.2950 8.1005 129.0173 57.5309 37.1901 175.5668 50 G 4.0746 8.2763 105.0649 43.7701 0.0000 176.0120 51 V 4.5999 8.5373 117.3447 60.8508 34.9440 173.0406 52 E 4.7213 9.2288 125.7658 53.9805 32.4878 175.3854 53 K 3.7428 8.4843 121.8642 58.9097 32.3700 176.7779 54 Y 4.2442 8.1554 121.7313 59.3333 36.1509 171.5273 55 G 3.5529 8.3654 107.4884 47.3345 0.0000 173.7619 56 P 4.2823 0.0000 0.0000 65.3146 31.4976 177.9072 57 E 4.3098 8.1535 113.4167 57.6547 30.0198 178.0400 58 A 4.1370 8.1583 122.8961 55.1155 18.6586 179.7679 59 S 4.2189 8.3907 113.6550 61.3821 62.9022 176.3020 60 A 4.0141 8.1202 123.6841 55.5528 18.0186 179.0169 61 F 3.9168 8.1003 118.1251 62.1427 39.3538 177.3187 62 T 3.8188 8.1469 114.5599 66.4659 68.2584 176.3322 63 K 3.8416 8.1661 121.4004 59.5974 32.2761 178.7776 64 K 3.8259 8.1208 118.6146 59.6825 31.7730 179.0025 65 M 3.8343 7.6338 117.1085 58.8049 32.0016 178.4266 66 V 3.8015 8.1118 112.6333 63.9080 31.5252 178.5278 67 E 3.8753 8.1374 118.1040 59.0171 29.4702 177.9996 68 N 4.6363 7.8840 113.1069 52.4105 39.2211 175.2917 69 A 4.9634 7.1591 123.7846 51.3336 19.1887 178.0300 70 K 4.2583 9.1026 121.0280 57.6105 33.8018 177.3074 71 K 4.6351 8.1658 118.6977 54.8446 35.0478 175.1747 72 I 4.9383 8.3741 124.8504 59.5389 40.0369 174.3533 73 E 4.9256 9.3867 125.2523 54.9227 33.6014 175.4213 74 V 4.6468 8.5795 116.7841 59.7466 35.1943 174.5080 75 E 4.9290 8.5585 122.3364 54.8815 32.5914 174.7670 76 F 4.9407 8.9418 125.4414 56.7919 40.7144 175.0326 77 D 4.9355 8.6687 120.7916 53.1755 42.3500 176.4528 78 K 4.4001 8.7757 117.5915 57.1884 32.3459 177.8375 79 G 4.3993 8.1633 110.0796 44.5429 0.0000 172.9937 80 Q 4.1382 8.6330 119.9744 56.3908 29.5077 176.4172 81 R 4.4597 8.3577 117.5220 56.4706 31.0475 176.0291 82 T 4.9584 7.4188 114.3336 61.5368 72.0688 173.6050 83 D 4.7328 8.4695 124.8724 51.7506 41.8274 176.5421 84 K 3.5965 8.5761 119.0554 60.0058 31.8818 177.0697 85 Y 4.4065 8.0334 113.5995 57.7457 37.7142 175.6398 86 G 3.8682 8.1181 107.0648 46.3538 0.0000 173.8793 87 R 4.5613 8.3501 118.7755 53.8810 32.2749 176.4855 88 G 3.4365 8.3106 110.8516 46.4203 0.0000 172.5510 89 L 5.1101 8.9945 124.0925 53.3959 42.8288 175.4818 90 A 4.4466 8.4063 124.6516 51.2285 23.7659 173.8099 91 Y 4.9203 8.3815 116.7952 56.6612 40.1078 175.3592 92 I 4.7098 8.9114 125.6145 59.9695 39.6423 174.1324 93 Y 4.9860 9.5734 124.9577 56.1620 40.4302 174.4699 94 A 4.8725 9.0641 127.1658 50.3770 21.3039 176.3008 95 D 4.4029 10.4833 123.9901 55.8036 39.1326 176.1926 96 G 4.0888 8.6169 106.3365 45.3216 0.0000 174.1482 97 K 4.4433 7.9533 120.4229 54.8055 33.6655 175.4738 98 M 4.0064 8.3762 122.9670 55.1029 32.7391 176.9021 99 V 3.6174 8.4731 127.8230 66.2751 31.4546 177.5041 100 N 4.2882 8.0781 115.6855 56.2678 38.3172 176.8583 101 E 3.7635 7.8883 119.7986 59.0737 30.0567 178.0091 102 A 4.0532 8.0445 120.9317 55.6504 18.3989 179.6696 103 L 3.4483 8.2249 117.2854 57.5216 41.5167 180.0484 104 V 3.7003 7.2620 117.9896 65.9940 31.4094 177.8895 105 R 3.8457 8.0269 117.4648 59.3246 29.7720 177.0454 106 Q 4.3558 7.5558 116.3686 55.1240 29.1062 175.4482 107 G 3.9607 8.2450 106.0868 46.8057 0.0000 174.7402 108 L 4.7913 7.3736 116.4586 53.3297 42.6878 176.2496 109 A 4.4428 7.5273 116.5005 51.2063 21.8193 176.7789 110 K 4.7117 8.2564 121.1201 54.3098 35.1934 176.2928 111 V 4.1577 8.3623 122.1128 63.5503 31.8826 174.8749 112 A 4.0928 9.0607 126.3112 51.0599 23.2603 175.2532 113 Y 3.2648 7.8775 113.9759 58.9949 35.4990 173.5459 114 V 3.8052 7.3724 112.3027 60.9351 31.6777 176.1391 115 Y 4.8868 8.2570 123.9717 55.5334 38.9557 175.6393 116 K 4.3964 8.8609 126.8687 56.4641 32.6796 174.2650 117 P 4.9127 0.0000 0.0000 63.0943 31.7311 176.8245 118 N 5.0939 8.2353 119.4741 51.8360 36.8751 175.4328 119 N 4.9987 8.1470 112.8984 54.0995 39.1825 177.4768 120 T 3.8583 8.0660 117.7702 67.7034 68.7000 174.8388 121 H 4.8122 7.9506 116.5217 55.7341 29.2500 176.6953 122 E 3.9619 8.5035 123.4636 59.8821 29.3779 179.0210 123 Q 4.0638 8.0583 117.1797 58.6707 28.8472 177.8129 124 H 4.1738 8.2261 119.2271 59.4369 29.8924 177.1447 125 L 3.9740 7.9081 120.5794 57.5553 41.6176 179.3947 126 R 3.9293 8.1983 118.7492 59.0177 29.6335 178.7920 127 K 4.0522 8.4809 119.0359 59.5461 32.1159 179.5022 128 S 4.0789 8.0493 115.4522 61.3254 62.6402 176.1329 129 E 3.9125 8.5344 122.3047 59.3142 29.2646 178.5806 130 A 3.7380 7.4101 119.2440 55.3834 18.3605 179.7031 131 Q 3.8118 7.6242 115.7346 59.0541 28.7889 178.8331 132 A 3.9983 7.8292 121.6430 54.9076 18.3565 179.8201 133 K 3.3535 7.7894 117.2700 59.4661 31.9098 179.7740 134 K 4.0152 7.8284 116.6472 58.3933 31.8510 178.1039 135 E 4.4853 7.5778 117.7270 54.9270 29.7345 175.5325 136 K 3.8669 7.8933 117.6449 57.1105 31.6401 174.4588 137 L 4.3317 7.8363 116.9572 54.2006 43.0309 177.4015 138 N 3.7403 8.8099 120.5042 54.4432 38.1910 175.4557 139 I 3.4067 5.4250 120.0778 62.7603 38.7420 177.6391 140 W 4.8087 7.4499 119.9142 56.4934 29.3562 176.3870 141 S 4.4430 7.6415 118.8932 58.5830 62.4841 173.9738 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 7 L 8.18 4.45 0.00 1.69 1.81 1.04 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 8 H 8.44 4.36 0.00 3.23 3.24 0.00 5.89 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 9 K 9.30 4.53 0.00 1.51 1.61 0.00 1.41 0.00 0.00 1.42 0.00 0.00 2.14 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.97 1.06 7.81 10 E 9.14 4.97 0.00 2.03 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 2.38 2.42 0.00 11 P 0.00 4.85 0.00 2.09 2.07 0.00 3.82 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 2.02 2.00 0.00 12 A 8.34 5.05 1.17 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 0.00 0.00 0.00 13 T 8.96 4.64 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 1.23 0.00 0.00 14 L 8.64 4.29 0.00 1.68 1.62 0.92 1.05 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 15 I 8.56 4.38 2.10 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 1.27 1.03 0.94 0.00 0.00 16 K 8.36 4.49 0.00 1.87 1.63 0.00 1.52 0.00 0.00 1.66 0.00 0.00 2.94 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.36 1.46 7.81 17 A 8.62 4.63 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 I 8.68 3.89 2.07 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 1.50 0.87 0.92 0.00 0.00 19 D 7.92 4.54 0.00 2.78 2.65 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 20 G 8.98 4.04 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 0.00 0.00 0.00 21 E 8.22 4.46 0.00 2.18 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 2.46 2.34 0.00 22 T 8.02 5.26 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 1.29 0.00 0.00 23 V 8.76 4.77 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 0.79 0.00 0.00 1.01 0.00 0.00 24 K 9.44 5.05 0.00 1.85 1.83 0.00 1.65 0.00 0.00 1.69 0.00 0.00 2.87 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.58 1.45 7.81 25 L 9.05 5.25 0.00 1.73 1.54 0.42 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 26 M 9.33 4.83 0.00 2.15 2.00 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 2.61 2.56 0.00 27 Y 8.84 4.98 0.00 3.23 3.09 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 28 K 9.05 3.66 0.00 1.55 1.72 0.00 0.61 0.00 0.00 1.38 0.00 0.00 2.76 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.19 1.29 7.81 29 G 8.43 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 0.00 0.00 0.00 30 Q 8.21 4.62 0.00 2.10 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.18 6.93 0.00 0.00 0.00 0.00 0.00 2.26 2.48 0.00 31 P 0.00 4.95 0.00 2.02 2.03 0.00 3.73 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 2.06 2.13 0.00 32 M 9.30 4.89 0.00 2.22 1.97 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.09 0.00 33 T 8.42 4.69 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 1.22 0.00 0.00 34 F 9.26 5.02 0.00 3.13 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 35 R 8.87 4.97 0.00 1.86 1.83 0.00 3.33 0.00 0.00 3.22 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.79 0.00 36 L 9.08 4.46 0.00 1.80 1.64 0.99 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 37 L 8.29 3.84 0.00 1.50 1.40 0.92 0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 38 L 8.80 4.10 0.00 2.03 1.87 1.10 1.21 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 39 V 7.48 4.90 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 0.69 0.00 0.00 0.97 0.00 0.00 40 D 9.24 5.06 0.00 2.47 2.36 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 41 T 9.02 4.80 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 1.19 0.00 0.00 42 P 0.00 4.54 0.00 2.19 2.09 0.00 3.64 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 2.06 2.06 0.00 43 E 8.56 4.73 0.00 2.01 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 2.52 2.44 0.00 44 T 8.41 4.04 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 1.19 0.00 0.00 45 K 7.68 4.66 0.00 1.82 1.79 0.00 1.12 0.00 0.00 1.35 0.00 0.00 2.97 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.30 1.36 7.81 46 H 8.64 4.82 0.00 3.08 3.07 0.00 5.67 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 47 P 0.00 4.24 0.00 2.22 2.16 0.00 3.68 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 1.97 1.95 0.00 48 K 7.63 4.38 0.00 1.85 1.85 0.00 1.83 0.00 0.00 1.73 0.00 0.00 2.99 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.42 1.47 7.81 49 K 8.10 4.29 0.00 1.65 1.73 0.00 0.61 0.00 0.00 1.57 0.00 0.00 2.88 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.06 1.09 7.81 50 G 8.28 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 51 V 8.54 4.60 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 0.94 0.00 0.00 0.96 0.00 0.00 52 E 9.23 4.72 0.00 1.94 1.78 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 2.19 2.35 0.00 53 K 8.48 3.74 0.00 1.53 1.48 0.00 1.60 0.00 0.00 1.66 0.00 0.00 3.00 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.38 1.45 7.81 54 Y 8.16 4.24 0.00 3.11 3.16 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 55 G 8.37 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 56 P 0.00 4.28 0.00 2.14 2.14 0.00 3.55 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.16 0.00 57 E 8.15 4.31 0.00 2.25 2.26 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 2.69 2.50 0.00 58 A 8.16 4.14 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 59 S 8.39 4.22 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 60 A 8.12 4.01 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 61 F 8.10 3.92 0.00 3.30 3.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 T 8.15 3.82 4.30 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 1.27 0.00 0.00 63 K 8.17 3.84 0.00 1.92 2.04 0.00 1.65 0.00 0.00 1.64 0.00 0.00 2.95 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.42 1.59 7.81 64 K 8.12 3.83 0.00 1.99 1.70 0.00 1.59 0.00 0.00 1.54 0.00 0.00 3.13 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.41 1.45 7.81 65 M 7.63 3.83 0.00 1.91 1.60 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.49 0.00 66 V 8.11 3.80 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 0.78 0.00 0.00 1.00 0.00 0.00 67 E 8.14 3.88 0.00 2.05 1.98 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 2.33 2.42 0.00 68 N 7.88 4.64 0.00 2.75 2.81 0.00 0.00 7.04 6.64 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 69 A 7.16 4.96 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 K 9.10 4.26 0.00 1.87 1.94 0.00 1.54 0.00 0.00 1.75 0.00 0.00 3.02 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.68 1.36 7.81 71 K 8.17 4.64 0.00 1.80 1.92 0.00 1.47 0.00 0.00 1.81 0.00 0.00 2.71 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.45 1.51 7.81 72 I 8.37 4.94 1.86 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.20 0.86 0.00 0.00 73 E 9.39 4.93 0.00 1.83 1.80 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 2.20 2.26 0.00 74 V 8.58 4.65 1.35 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 -0.06 0.00 0.00 0.28 0.00 0.00 75 E 8.56 4.93 0.00 2.08 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 2.50 2.51 0.00 76 F 8.94 4.94 0.00 3.05 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 77 D 8.67 4.94 0.00 2.76 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 78 K 8.78 4.40 0.00 1.87 1.89 0.00 1.80 0.00 0.00 1.78 0.00 0.00 3.07 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.53 1.44 7.81 79 G 8.16 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 0.00 0.00 0.00 0.00 80 Q 8.63 4.14 0.00 2.13 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.92 6.79 0.00 0.00 0.00 0.00 0.00 2.31 2.29 0.00 81 R 8.36 4.46 0.00 1.57 1.40 0.00 2.50 0.00 0.00 2.25 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.42 0.00 82 T 7.42 4.96 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 1.13 0.00 0.00 83 D 8.47 4.73 0.00 2.93 2.87 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 0.00 0.00 0.00 84 K 8.58 3.60 0.00 1.47 1.21 0.00 1.59 0.00 0.00 1.53 0.00 0.00 2.85 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.07 1.27 7.81 85 Y 8.03 4.41 0.00 2.97 2.92 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 86 G 8.12 3.87 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 0.00 0.00 0.00 0.00 0.00 0.00 87 R 8.35 4.56 0.00 1.78 1.90 0.00 3.14 0.00 0.00 3.15 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.85 0.00 88 G 8.31 3.44 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 89 L 8.99 5.11 0.00 1.67 1.70 1.05 0.65 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 90 A 8.41 4.45 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 Y 8.38 4.92 0.00 3.08 2.65 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 92 I 8.91 4.71 1.81 0.00 0.00 0.61 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 0.50 0.85 0.00 0.00 93 Y 9.57 4.99 0.00 2.90 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 94 A 9.06 4.87 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 95 D 10.48 4.40 0.00 2.82 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 G 8.62 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 0.00 0.00 0.00 97 K 7.95 4.44 0.00 1.82 1.75 0.00 1.69 0.00 0.00 1.59 0.00 0.00 2.89 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.41 1.37 7.81 98 M 8.38 4.01 0.00 1.85 1.56 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 2.24 0.00 99 V 8.47 3.62 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 1.15 0.00 0.00 0.94 0.00 0.00 100 N 8.08 4.29 0.00 2.86 2.92 0.00 0.00 6.77 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 0.00 101 E 7.89 3.76 0.00 1.89 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 2.16 2.16 0.00 102 A 8.04 4.05 1.64 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 0.00 103 L 8.22 3.45 0.00 1.62 1.59 1.01 1.13 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 0.00 104 V 7.26 3.70 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 1.17 0.00 0.00 0.96 0.00 0.00 105 R 8.03 3.85 0.00 2.06 2.09 0.00 3.32 0.00 0.00 3.12 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.69 0.00 106 Q 7.56 4.36 0.00 1.96 1.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.44 0.00 0.00 0.00 0.00 0.00 2.16 2.31 0.00 107 G 8.25 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 0.00 108 L 7.37 4.79 0.00 1.29 1.44 0.52 0.49 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 0.00 109 A 7.53 4.44 1.12 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 0.00 110 K 8.26 4.71 0.00 1.67 1.75 0.00 1.66 0.00 0.00 1.35 0.00 0.00 2.70 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.36 1.07 7.81 111 V 8.36 4.16 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 0.71 0.00 0.00 0.94 0.00 0.00 112 A 9.06 4.09 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 Y 7.88 3.26 0.00 3.03 2.93 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 0.00 114 V 7.37 3.81 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 0.73 0.00 0.00 0.85 0.00 0.00 115 Y 8.26 4.89 0.00 3.07 2.81 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 0.00 116 K 8.86 4.40 0.00 1.80 1.80 0.00 1.82 0.00 0.00 1.81 0.00 0.00 3.10 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.48 1.43 7.81 117 P 0.00 4.91 0.00 2.27 2.15 0.00 3.86 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 1.99 2.01 0.00 118 N 8.24 5.09 0.00 2.96 2.92 0.00 0.00 6.67 8.01 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 0.00 119 N 8.15 5.00 0.00 2.90 3.04 0.00 0.00 6.07 7.22 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 0.00 120 T 8.07 3.86 4.45 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 0.97 0.00 0.00 121 H 7.95 4.81 0.00 2.87 3.15 0.00 5.63 0.00 0.00 0.00 0.00 6.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 E 8.50 3.96 0.00 2.12 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 0.00 2.33 2.38 0.00 123 Q 8.06 4.06 0.00 2.11 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.67 0.00 0.00 0.00 0.00 0.00 2.45 2.36 0.00 124 H 8.23 4.17 0.00 3.21 3.46 0.00 5.86 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 0.00 125 L 7.91 3.97 0.00 1.76 1.67 0.96 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 126 R 8.20 3.93 0.00 2.20 1.99 0.00 3.09 0.00 0.00 3.27 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.65 0.00 127 K 8.48 4.05 0.00 2.05 1.83 0.00 1.86 0.00 0.00 1.66 0.00 0.00 2.93 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.44 1.56 7.81 128 S 8.05 4.08 0.00 3.92 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 129 E 8.53 3.91 0.00 2.10 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 2.14 2.65 0.00 130 A 7.41 3.74 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 0.00 131 Q 7.62 3.81 0.00 2.02 2.11 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 2.33 2.48 0.00 132 A 7.83 4.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.79 3.35 0.00 1.43 1.43 0.00 1.21 0.00 0.00 0.95 0.00 0.00 2.13 0.00 0.00 2.38 0.00 0.00 0.00 0.00 0.63 0.21 7.81 134 K 7.83 4.02 0.00 1.80 1.81 0.00 1.62 0.00 0.00 1.62 0.00 0.00 2.97 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.36 1.61 7.81 135 E 7.58 4.49 0.00 2.09 1.94 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 2.25 2.36 0.00 136 K 7.89 3.87 0.00 1.84 1.85 0.00 1.70 0.00 0.00 1.71 0.00 0.00 3.13 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.37 1.46 7.81 137 L 7.84 4.33 0.00 1.78 1.54 0.94 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 138 N 8.81 3.74 0.00 2.57 1.80 0.00 0.00 6.90 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 0.00 139 I 5.43 3.41 1.30 0.00 0.00 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.33 -0.36 0.40 0.00 0.00 140 W 7.45 4.81 0.00 3.34 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 0.00 141 S 7.64 4.44 0.00 4.07 4.02 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