NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4543 8.3044 118.1959 55.3699 32.5373 177.6872 2 D 4.5276 8.6413 117.6405 52.3805 39.9657 174.0089 3 F 5.0745 8.8384 120.6564 57.2232 41.2071 175.4092 4 R 4.8179 9.1686 119.5335 54.6253 34.4536 174.0016 5 I 4.9809 8.4598 121.7456 59.3600 41.2338 174.3107 6 G 4.3982 9.1563 114.0492 44.5417 0.0000 171.3281 7 Q 5.1647 8.6828 118.4053 54.2616 31.9126 174.4219 8 G 4.4168 9.3346 107.8025 44.8962 0.0000 170.6738 9 Y 5.3684 8.5138 121.3913 55.9654 41.8005 173.6342 10 D 4.6150 8.3392 124.0651 53.0982 45.3601 174.1038 11 V 4.7475 7.7980 121.5656 60.6595 34.6165 173.6265 12 H 4.9840 8.8416 118.6958 53.9158 33.3277 172.9790 13 Q 4.6924 8.6438 119.6112 56.0817 30.1650 174.9921 14 L 5.0027 8.4824 123.1826 53.9172 42.7710 176.6778 15 V 4.7182 8.9624 117.2597 58.4170 36.0365 173.5960 16 P 4.3294 0.0000 0.0000 63.6715 31.9791 176.0682 17 G 3.9080 8.8066 108.4617 46.4740 0.0000 173.4307 18 R 4.6980 7.5233 116.8681 53.1687 33.6672 173.2442 19 P 4.4624 0.0000 0.0000 62.4318 32.6966 175.9206 20 L 4.4570 8.5024 125.0712 54.0625 42.9390 175.0452 21 I 5.0173 8.2104 127.6516 59.5453 40.3459 175.1134 22 I 4.7802 8.3489 127.7518 60.4424 40.0668 175.8889 23 G 3.9837 9.9581 113.8747 46.6731 0.0000 175.1529 24 G 3.8669 8.9972 107.5796 44.9663 0.0000 174.3680 25 V 4.0771 7.5323 120.8493 61.4002 32.4032 174.6524 26 T 4.6254 8.4314 124.5975 63.4358 68.9853 173.9274 27 I 4.3836 8.4565 128.2885 58.4437 39.3671 174.1030 28 P 4.3805 0.0000 0.0000 63.2105 31.5902 175.2879 29 Y 4.6654 8.0878 122.4256 56.9745 41.2056 173.4955 30 E 3.9941 8.0484 122.9125 58.1065 30.1370 176.3427 31 R 4.8693 7.2988 116.8038 54.3928 34.3478 174.1155 32 G 4.4702 8.7980 106.4848 44.0323 0.0000 171.5409 33 L 4.9817 8.4069 119.5459 54.0616 42.6985 176.5497 34 L 4.4586 8.5212 125.9138 54.0851 43.0515 175.9038 35 G 4.0540 8.2765 115.6499 46.0876 0.0000 173.5539 *36 H 4.3776 8.9743 116.1457 56.6299 28.4708 174.0949 37 S 4.8380 7.6050 113.5184 57.2776 65.0964 173.4399 38 D 4.3581 8.1858 119.1547 54.3315 39.1803 175.8542 39 A 3.3631 7.6189 121.7869 53.6638 16.4199 178.7495 40 D 4.6746 8.0618 121.8436 54.6632 40.5393 175.7721 41 V 3.8272 7.9436 128.9730 63.7847 31.4619 177.9771 42 L 3.8492 7.7794 120.3480 58.0309 42.0515 178.7785 43 L 3.9947 7.9735 118.6795 58.0475 41.4773 179.1914 44 H 4.2729 8.4105 116.0969 58.9651 28.6618 177.7252 45 A 4.0350 8.0204 122.4657 55.1844 18.2049 179.8154 46 I 3.6649 7.8275 118.4014 64.6508 37.0815 178.5865 47 T 3.6822 8.1960 116.9906 66.9277 68.2603 176.2874 48 D 4.4950 8.3759 120.3710 57.3420 40.8151 178.7090 49 A 4.1314 8.2117 121.3499 55.0348 18.3612 179.7925 50 L 3.8228 7.9450 117.3876 58.0743 41.7278 179.5659 51 F 4.5473 8.0909 118.0369 60.7499 38.7984 178.1029 52 G 3.6106 8.5425 105.2855 47.7253 0.0000 175.7332 53 A 4.2209 8.2158 123.4489 53.9408 18.4806 178.6744 54 A 3.1007 7.6007 115.9951 50.8149 19.1999 176.8547 55 A 3.6847 7.5127 119.4265 53.5655 16.6413 178.0714 56 L 4.5869 8.5229 117.6656 55.6072 43.4122 177.1830 57 G 3.9631 9.3212 107.9339 44.0311 0.0000 176.5263 58 D 4.7572 8.0074 125.6889 51.0645 42.8978 175.1455 59 I 3.9383 9.2829 120.1050 64.0089 37.6323 178.0073 60 G 3.6919 8.2352 108.1350 48.4412 0.0000 176.0956 61 R 4.0265 8.5109 122.4078 61.4745 29.5310 180.3329 62 H 4.2704 7.7093 116.0965 56.9797 29.7044 175.9744 63 F 5.0161 7.7853 118.8622 54.3521 39.4827 172.5237 64 S 3.9177 8.6509 118.4232 58.9768 62.9677 175.0929 65 D 4.1809 8.8259 123.9903 53.4734 39.0746 172.2427 *73 A 4.2055 7.8914 128.8807 51.1409 20.9665 175.3094 74 D 4.6245 7.8930 112.0440 53.0521 43.0263 177.2816 75 S 4.2621 9.1403 123.8370 61.0186 62.7489 176.7764 76 R 3.9690 8.9275 121.6363 58.7664 29.8774 178.5332 77 A 3.9374 8.0198 120.2315 55.1604 18.3711 179.5421 78 L 3.4364 7.6179 117.0113 57.4767 41.5376 179.4886 79 L 3.9161 7.9003 120.3640 58.2262 42.0734 179.2041 80 R 3.8995 8.2495 118.3771 59.2895 29.9574 178.7144 81 E 4.0263 8.3703 119.1586 59.1875 29.6307 178.3133 82 C 4.0704 8.6718 119.0981 62.5592 31.6187 175.4560 83 A 3.9708 8.1380 122.3231 55.0443 17.7791 179.5786 84 S 4.0660 8.0040 111.6285 61.8318 62.6743 176.7444 85 R 4.0314 8.2993 120.7543 59.0772 29.8690 179.3445 86 V 3.7126 8.1205 118.0910 65.9594 31.4941 177.9604 87 A 4.3953 8.1130 121.8921 54.8144 18.0247 179.3077 88 Q 3.9065 8.3392 117.0725 59.1124 29.1798 177.7558 89 A 4.3933 7.8178 119.1516 52.5545 18.8364 177.9259 90 G 3.7500 8.4586 106.8597 44.8418 0.0000 172.8275 91 F 5.1238 8.1408 117.3033 55.4384 41.8552 174.5482 92 A 4.8872 9.1609 123.5275 50.1982 21.7985 175.6741 93 I 4.2591 8.3931 122.4472 61.3809 37.6119 175.8522 94 R 4.5796 9.2437 126.4252 57.9274 31.4983 176.2643 95 N 4.9942 7.6409 113.1937 52.0758 40.7116 173.5020 96 V 4.9208 8.7161 119.5211 61.2901 35.0159 173.7988 97 D 5.4933 9.1697 126.2207 51.8000 45.1094 174.0272 98 S 5.0522 8.1049 114.8778 58.1024 66.3263 173.5474 99 T 4.9755 8.9264 116.8647 62.0071 72.8318 172.9591 100 I 4.7430 9.0646 126.4330 59.6422 40.0628 174.6876 101 I 4.8644 8.9545 128.1637 59.6826 38.5993 174.5159 102 A 4.7992 8.7530 128.9746 50.2659 21.9740 176.7710 103 Q 3.8503 9.0091 123.6678 58.7343 29.5502 175.6949 104 A 4.5006 7.2828 117.2455 50.0644 22.0032 173.5102 105 P 4.4211 0.0000 0.0000 61.8855 32.7533 176.6173 106 K 4.0767 8.3692 120.0795 54.9111 31.8354 173.5096 107 L 4.4001 8.5142 123.8848 55.2787 42.8571 178.6772 108 A 3.9674 8.2626 120.6757 55.0746 17.9226 177.6600 109 P 4.2651 0.0000 0.0000 64.6184 31.7318 177.2781 110 H 4.8349 8.1942 114.4373 55.5542 29.3690 176.4993 111 I 3.7038 7.4661 123.3760 64.6165 37.0269 177.9467 112 D 4.3205 8.1212 118.9540 57.1266 40.5959 178.5878 113 A 3.9923 7.9473 120.9335 55.3470 18.4508 179.2700 114 M 4.2477 7.9247 118.4769 58.1500 32.0390 179.2190 115 R 3.8941 8.2518 117.9986 59.1152 30.2383 178.9340 116 A 3.9787 8.1111 120.4795 55.2370 18.3540 179.3326 117 N 4.2601 8.2381 114.8942 56.6488 38.5814 177.7769 118 I 3.6645 7.9218 120.8229 64.2311 37.1135 178.2305 119 A 3.9552 8.3944 121.8470 55.2642 18.0752 179.6144 120 A 3.9251 8.0946 119.1025 55.4676 18.2485 179.6761 121 D 4.3444 8.1618 116.5004 56.8660 40.9809 177.9999 122 L 4.3229 8.0325 116.8593 53.4227 42.6261 175.7218 123 D 4.3691 7.6667 117.4892 55.6315 40.0680 172.9354 124 L 4.8632 7.9044 116.7632 51.8294 45.0852 175.4868 125 P 4.5190 0.0000 0.0000 62.2931 32.4507 177.3564 126 L 3.9963 8.5700 119.9067 58.0923 41.6281 178.7748 127 D 4.6138 8.0755 114.7770 54.5963 39.5812 176.4170 128 R 4.6344 8.1920 118.6668 55.9804 31.7463 175.2063 129 V 4.8045 7.8319 119.0945 61.1484 33.7553 174.3428 130 N 5.1330 9.1409 125.3269 51.9498 42.9127 173.0573 131 V 4.9032 8.2176 123.1292 60.1780 34.6361 174.3655 132 K 4.8229 9.0682 126.4093 54.4642 35.6454 174.8110 133 A 5.2179 8.5138 123.8709 50.2294 21.7047 175.7926 134 K 4.7355 8.9884 120.4587 54.8913 36.9650 176.5306 135 T 4.7077 8.4216 113.7557 60.0580 70.9579 173.6767 136 N 4.7390 8.6801 116.3737 52.6456 39.0291 174.0954 137 E 3.7865 8.7205 113.6081 57.0238 27.6410 175.2147 138 K 4.0214 8.3226 114.4894 57.0801 31.8521 174.5002 139 L 4.3897 7.9864 117.5273 54.0708 43.2444 178.5168 140 G 4.0504 8.4834 111.3780 45.3087 0.0000 173.1002 141 Y 4.3233 8.1954 115.6178 60.3233 37.7115 178.3215 142 L 4.1460 7.2252 120.4233 57.5394 41.5863 179.4963 143 G 3.6539 7.8335 104.6907 47.3093 0.0000 174.9933 144 R 4.4256 7.9134 117.6190 55.1711 30.5445 176.4177 145 G 3.9745 7.8879 106.8353 46.8946 0.0000 174.9849 146 E 4.3105 8.7423 121.0795 57.5059 30.2124 176.1798 147 G 4.6790 7.6262 103.5515 45.6063 0.0000 172.2189 148 I 4.9667 8.6753 119.4076 59.4614 41.2916 174.7153 149 E 5.0780 8.9680 126.7622 54.4622 32.5277 174.3743 150 A 5.2441 8.7843 125.6222 50.3203 23.0673 174.9974 151 Q 5.1660 9.1549 118.3218 54.2655 32.9577 174.5571 152 A 5.2217 9.1085 122.6073 50.5149 23.4002 174.8599 153 A 5.2538 9.3325 120.7584 50.1251 22.8047 175.2257 154 A 5.0594 9.0143 121.9565 50.0376 23.1492 174.6324 155 L 5.1614 8.7964 123.2515 53.4457 44.7651 175.7818 156 V 5.1975 8.8398 118.3542 59.5651 36.5725 174.6593 157 V 4.8148 8.9035 120.7656 60.0164 34.8246 175.7225 158 R 4.4025 8.5056 122.3398 55.8085 29.5019 175.8683 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 M 8.30 4.45 0.00 2.10 1.78 0.00 0.00 0.00 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.15 0.00 2 D 8.64 4.53 0.00 2.86 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 3 F 8.84 5.07 0.00 3.02 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 4 R 9.17 4.82 0.00 1.61 1.76 0.00 3.31 0.00 0.00 3.19 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.75 0.00 5 I 8.46 4.98 1.89 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 1.47 0.92 0.00 0.00 6 G 9.16 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 7 Q 8.68 5.16 0.00 2.01 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.73 0.00 0.00 0.00 0.00 0.00 2.23 2.42 0.00 8 G 9.33 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 0.00 0.00 0.00 0.00 9 Y 8.51 5.37 0.00 2.95 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 10 D 8.34 4.61 0.00 2.75 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 0.00 0.00 0.00 0.00 11 V 7.80 4.75 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 0.77 0.00 0.00 1.07 0.00 0.00 12 H 8.84 4.98 0.00 3.07 3.18 0.00 5.61 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 13 Q 8.64 4.69 0.00 2.03 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.96 0.00 0.00 0.00 0.00 0.00 2.40 2.37 0.00 14 L 8.48 5.00 0.00 1.60 1.71 1.03 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 15 V 8.96 4.72 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 0.76 0.00 0.00 1.02 0.00 0.00 16 P 0.00 4.33 0.00 2.05 2.03 0.00 3.84 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.97 0.00 17 G 8.81 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 0.00 0.00 0.00 18 R 7.52 4.70 0.00 1.81 1.79 0.00 3.29 0.00 0.00 3.34 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.56 0.00 19 P 0.00 4.46 0.00 1.93 1.97 0.00 3.66 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.08 0.00 20 L 8.50 4.46 0.00 2.08 1.80 0.90 0.78 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 21 I 8.21 5.02 1.83 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 1.32 1.09 0.87 0.00 0.00 22 I 8.35 4.78 1.81 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 1.17 0.65 0.86 0.00 0.00 23 G 9.96 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 G 9.00 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 25 V 7.53 4.08 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.00 0.00 0.98 0.00 0.00 26 T 8.43 4.63 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 1.20 0.00 0.00 27 I 8.46 4.38 1.78 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.63 0.81 0.00 0.00 28 P 0.00 4.38 0.00 1.99 2.04 0.00 3.74 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.11 0.00 29 Y 8.09 4.67 0.00 2.76 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 30 E 8.05 3.99 0.00 1.95 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 1.70 2.01 0.00 31 R 7.30 4.87 0.00 1.75 2.02 0.00 3.18 0.00 0.00 3.20 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.46 0.00 32 G 8.80 4.47 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 L 8.41 4.98 0.00 1.56 1.57 0.90 1.02 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 34 L 8.52 4.46 0.00 1.65 1.60 0.94 1.24 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 35 G 8.28 4.05 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 0.00 0.00 0.00 0.00 0.00 0.00 *36 H 8.97 4.38 0.00 2.95 2.99 0.00 7.19 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 S 7.60 4.84 0.00 4.19 3.95 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 38 D 8.19 4.36 0.00 2.79 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 39 A 7.62 3.36 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 D 8.06 4.67 0.00 2.78 2.46 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 41 V 7.94 3.83 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 0.82 0.00 0.00 0.94 0.00 0.00 42 L 7.78 3.85 0.00 1.74 1.81 0.90 0.64 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 43 L 7.97 3.99 0.00 1.73 1.70 0.92 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 44 H 8.41 4.27 0.00 3.44 3.38 0.00 5.64 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 45 A 8.02 4.03 1.40 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 46 I 7.83 3.66 1.98 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 1.51 0.94 0.88 0.00 0.00 47 T 8.20 3.68 4.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 48 D 8.38 4.49 0.00 2.99 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 49 A 8.21 4.13 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 50 L 7.95 3.82 0.00 1.62 1.52 0.82 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 51 F 8.09 4.55 0.00 3.15 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 52 G 8.54 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 A 8.22 4.22 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 54 A 7.60 3.10 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 A 7.51 3.68 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 56 L 8.52 4.59 0.00 1.73 1.69 1.15 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 57 G 9.32 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 58 D 8.01 4.76 0.00 3.13 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 59 I 9.28 3.94 2.22 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 2.03 1.00 0.00 0.00 60 G 8.24 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 61 R 8.51 4.03 0.00 1.87 1.86 0.00 3.27 0.00 0.00 3.22 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.54 0.00 62 H 7.71 4.27 0.00 2.07 1.86 0.00 5.57 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 F 7.79 5.02 0.00 3.03 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 64 S 8.65 3.92 0.00 3.99 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 65 D 8.83 4.18 0.00 2.72 2.57 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 *73 A 7.89 4.21 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 74 D 7.89 4.62 0.00 2.69 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 75 S 9.14 4.26 0.00 3.89 3.90 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 76 R 8.93 3.97 0.00 1.94 2.03 0.00 3.10 0.00 0.00 3.15 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.61 0.00 77 A 8.02 3.94 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 78 L 7.62 3.44 0.00 1.69 1.23 0.76 -0.23 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 79 L 7.90 3.92 0.00 1.82 1.78 0.86 0.79 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 80 R 8.25 3.90 0.00 2.02 1.96 0.00 3.15 0.00 0.00 3.08 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.73 0.00 81 E 8.37 4.03 0.00 2.20 2.19 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 2.60 2.77 0.00 82 C 8.67 4.07 0.00 2.77 3.03 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 0.00 0.00 0.00 83 A 8.14 3.97 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 84 S 8.00 4.07 0.00 3.98 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 0.00 85 R 8.30 4.03 0.00 2.29 2.17 0.00 3.47 0.00 0.00 3.26 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.79 0.00 86 V 8.12 3.71 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 1.08 0.00 0.00 0.97 0.00 0.00 87 A 8.11 4.40 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 88 Q 8.34 3.91 0.00 2.16 2.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.88 0.00 0.00 0.00 0.00 0.00 2.43 2.47 0.00 89 A 7.82 4.39 1.65 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 90 G 8.46 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 0.00 0.00 0.00 91 F 8.14 5.12 0.00 3.16 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 92 A 9.16 4.89 1.21 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 0.00 0.00 93 I 8.39 4.26 1.89 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.61 0.92 0.00 0.00 94 R 9.24 4.58 0.00 1.91 2.07 0.00 3.48 0.00 0.00 3.35 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 2.02 0.00 95 N 7.64 4.99 0.00 2.86 2.88 0.00 0.00 5.61 7.68 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 96 V 8.72 4.92 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 0.92 0.00 0.00 0.92 0.00 0.00 97 D 9.17 5.49 0.00 2.78 2.43 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 98 S 8.10 5.05 0.00 3.99 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 99 T 8.93 4.98 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 100 I 9.06 4.74 1.84 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.71 0.92 0.00 0.00 101 I 8.95 4.86 1.87 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.66 0.92 0.00 0.00 102 A 8.75 4.80 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 0.00 103 Q 9.01 3.85 0.00 2.19 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.70 0.00 0.00 0.00 0.00 0.00 2.51 2.42 0.00 104 A 7.28 4.50 1.25 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 0.00 105 P 0.00 4.42 0.00 2.10 1.89 0.00 3.24 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 1.53 0.00 106 K 8.37 4.08 0.00 1.80 1.66 0.00 1.79 0.00 0.00 1.70 0.00 0.00 2.91 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.36 1.03 7.81 107 L 8.51 4.40 0.00 1.67 1.72 0.87 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 108 A 8.26 3.97 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 0.00 109 P 0.00 4.27 0.00 1.71 2.01 0.00 3.70 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 2.11 0.00 110 H 8.19 4.83 0.00 3.21 3.26 0.00 5.62 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 0.00 111 I 7.47 3.70 1.86 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.91 0.94 0.00 0.00 112 D 8.12 4.32 0.00 2.68 2.71 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 0.00 113 A 7.95 3.99 1.34 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 0.00 0.00 0.00 114 M 7.92 4.25 0.00 2.08 2.29 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.81 2.59 0.00 115 R 8.25 3.89 0.00 1.99 1.97 0.00 3.12 0.00 0.00 3.30 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.78 0.00 116 A 8.11 3.98 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 0.00 117 N 8.24 4.26 0.00 2.98 2.87 0.00 0.00 7.09 6.90 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 0.00 118 I 7.92 3.66 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 1.43 0.72 0.89 0.00 0.00 119 A 8.39 3.96 1.43 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 0.00 120 A 8.09 3.93 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 D 8.16 4.34 0.00 2.77 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 0.00 122 L 8.03 4.32 0.00 1.59 1.69 0.90 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 123 D 7.67 4.37 0.00 2.71 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 0.00 124 L 7.90 4.86 0.00 1.62 1.53 0.92 1.27 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 0.00 125 P 0.00 4.52 0.00 2.38 2.18 0.00 3.72 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 1.99 0.00 126 L 8.57 4.00 0.00 1.73 1.77 0.92 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 127 D 8.08 4.61 0.00 2.78 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 0.00 128 R 8.19 4.63 0.00 1.91 2.06 0.00 3.08 0.00 0.00 3.29 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.55 0.00 129 V 7.83 4.80 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 0.78 0.00 0.00 0.93 0.00 0.00 130 N 9.14 5.13 0.00 2.84 2.73 0.00 0.00 6.18 6.99 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 0.00 131 V 8.22 4.90 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 1.19 0.00 0.00 0.92 0.00 0.00 132 K 9.07 4.82 0.00 1.78 1.64 0.00 1.65 0.00 0.00 1.65 0.00 0.00 2.85 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.33 1.49 7.81 133 A 8.51 5.22 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 0.00 134 K 8.99 4.74 0.00 1.60 1.62 0.00 1.66 0.00 0.00 1.69 0.00 0.00 2.90 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.34 1.51 7.81 135 T 8.42 4.71 4.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 136 N 8.68 4.74 0.00 2.74 2.71 0.00 0.00 7.02 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 0.00 137 E 8.72 3.79 0.00 2.11 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 2.24 2.35 0.00 138 K 8.32 4.02 0.00 1.87 1.87 0.00 1.77 0.00 0.00 1.71 0.00 0.00 3.13 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.35 1.44 7.81 139 L 7.99 4.39 0.00 1.79 1.50 0.90 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 140 G 8.48 4.05 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 0.00 0.00 0.00 0.00 0.00 0.00 141 Y 8.20 4.32 0.00 3.31 3.30 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 0.00 142 L 7.23 4.15 0.00 1.55 1.70 0.93 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 143 G 7.83 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 0.00 144 R 7.91 4.43 0.00 1.87 2.02 0.00 3.32 0.00 0.00 3.26 7.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.85 0.00 145 G 7.89 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 0.00 146 E 8.74 4.31 0.00 2.31 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 0.00 2.34 2.32 0.00 147 G 7.63 4.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 148 I 8.68 4.97 1.87 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 1.09 1.22 0.93 0.00 0.00 149 E 8.97 5.08 0.00 2.09 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 2.16 2.16 0.00 150 A 8.78 5.24 1.16 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 0.00 0.00 151 Q 9.15 5.17 0.00 1.98 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.64 0.00 0.00 0.00 0.00 0.00 2.41 2.35 0.00 152 A 9.11 5.22 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 0.00 153 A 9.33 5.25 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 0.00 154 A 9.01 5.06 1.18 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 0.00 0.00 155 L 8.80 5.16 0.00 1.79 1.69 1.05 0.71 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 0.00 156 V 8.84 5.20 2.27 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 0.65 0.00 0.00 0.79 0.00 0.00 157 V 8.90 4.81 1.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.70 0.00 0.00 0.26 0.00 0.00 158 R 8.51 4.40 0.00 1.55 1.83 0.00 2.21 0.00 0.00 2.25 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.14 0.00 * Residues marked with a * may have inaccurate shift predictions.