NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 L 4.0915 8.1849 122.4463 54.4963 43.9043 177.5820 3 W 4.7291 7.3824 117.6162 56.6718 29.5177 174.3241 4 K 4.4094 9.9954 123.4332 57.4404 33.6819 177.0990 5 K 4.5390 8.0294 116.7271 55.3134 33.5783 175.7082 6 T 4.4217 8.0524 110.9320 60.5485 70.2269 173.8490 7 F 4.6980 7.3733 117.5657 55.5053 40.4002 173.4770 8 T 4.5751 7.9523 110.0994 58.9942 72.8748 174.4829 9 L 3.9201 8.7021 123.2227 58.1116 41.7637 179.5098 10 E 3.9133 8.1287 118.4915 59.5656 29.6468 178.6053 11 N 4.3823 8.2162 116.4201 56.0436 38.5076 177.4244 12 L 3.8696 8.1160 120.7157 57.9827 41.5062 179.3490 13 N 4.2898 7.7909 114.7936 56.1692 38.6773 176.9228 14 Q 4.0688 7.8206 120.5659 59.1144 28.9422 178.0945 15 L 3.9333 7.9285 120.4847 58.2360 41.9876 178.0218 16 C 4.3753 8.1214 114.7316 59.4314 28.2804 173.9630 17 S 4.4634 7.0146 115.3820 58.7801 63.4152 173.1245 18 N 4.1812 8.6702 115.7593 54.0007 36.0602 173.3790 19 S 4.5275 7.7887 110.5920 56.0743 66.5756 174.2327 20 A 4.0331 8.5783 120.5261 55.3514 17.8084 179.7527 21 V 3.4945 7.6124 116.9535 66.3931 31.6979 178.5361 22 S 4.1964 7.7205 113.5041 61.4491 62.6449 175.7585 23 H 4.2474 8.1257 121.3792 58.2971 29.5244 176.1195 24 L 4.5956 7.3950 118.4947 53.6111 41.8712 176.7003 25 G 3.9569 7.7455 105.4658 46.3555 0.0000 174.2272 26 I 4.2315 7.6108 120.4391 60.9259 37.8935 175.3095 27 E 4.7280 9.1009 127.1802 54.2379 32.9274 174.5838 28 I 4.2914 8.8291 128.3178 61.5160 36.4963 176.1589 29 S 4.2524 8.6875 123.2035 60.6751 63.5678 174.1317 30 A 4.6326 7.7458 121.5410 51.7830 21.5654 174.0412 31 F 4.5730 7.9577 113.3536 56.0466 40.8103 173.5996 32 G 3.1820 7.8541 108.9537 44.0423 0.0000 172.5410 33 E 3.9895 8.8396 119.0696 59.0227 29.7590 178.3376 34 D 4.3776 7.3509 115.8310 51.1854 39.8645 174.6240 35 W 5.6326 7.8029 114.0558 57.1149 31.5060 172.8239 36 I 5.3212 9.1386 121.2183 59.8810 41.3568 173.5320 37 E 5.9800 10.2918 126.9214 53.9641 33.7960 174.5946 38 A 5.0928 8.3943 121.2505 51.1880 23.0581 175.8638 39 T 5.3438 9.0328 112.4609 58.6906 72.2159 171.4413 *41 P 4.2945 0.0000 0.0000 63.3762 32.6539 176.9364 42 V 4.5063 8.5790 122.0407 60.9586 31.3447 174.1861 43 D 4.5895 7.8163 126.3037 52.4364 42.1236 175.2115 44 H 4.1840 9.0454 114.4259 59.0966 28.8292 176.5860 45 R 4.1632 8.5560 118.1875 57.7545 31.0761 176.7218 46 T 4.5028 7.9400 107.8487 60.4938 68.7585 172.7021 *48 Q 4.2584 7.5283 120.5318 55.5441 30.2822 175.0192 49 P 4.3123 0.0000 0.0000 64.4150 31.1824 177.1982 50 F 4.5252 6.9410 117.2062 58.7680 39.3065 176.3864 51 G 4.0530 8.6160 108.9444 44.9231 0.0000 173.2788 52 V 4.7242 7.2454 110.6250 58.4400 35.5606 175.2374 53 L 3.9660 9.0277 125.8061 55.9086 42.7976 176.2520 54 H 4.1501 9.4290 127.4489 56.0039 30.1932 176.1753 55 G 3.5837 8.9951 113.5341 47.8655 0.0000 175.3812 56 G 3.7139 8.1763 107.4469 47.7103 0.0000 175.8616 57 V 3.6422 7.9050 120.2228 65.7859 31.5816 178.0493 58 S 4.1643 8.0598 114.7614 61.6460 62.5521 176.8947 59 V 3.6395 7.6553 120.8270 65.7480 31.2690 177.8583 60 A 3.9716 7.8753 120.5409 55.0130 18.2053 179.3764 61 L 3.8338 8.1017 118.4932 58.1703 42.2028 178.8777 62 A 4.0000 7.9922 120.7117 55.4395 18.3684 179.3282 63 E 3.8952 8.5032 117.9020 59.6061 29.5926 178.8098 64 T 3.7531 7.8403 115.9766 66.7768 68.5802 176.3697 65 I 3.6731 8.0109 120.4417 63.8878 38.0210 178.4502 66 G 3.3377 8.1512 106.8431 47.7383 0.0000 176.0297 67 S 3.9601 8.3515 118.1974 60.9105 62.8935 176.4986 68 L 3.6787 7.8422 122.8772 57.9580 41.5985 178.7563 69 A 3.7820 7.3197 119.3628 54.9913 18.4476 179.4207 70 G 3.9106 7.0982 104.2613 48.1326 0.0000 176.0676 71 S 4.2267 7.8831 116.7800 60.9218 62.9216 176.0426 72 L 4.2222 7.8373 120.8489 56.2544 41.0920 177.7337 73 C 4.9370 7.9493 115.6787 59.4150 28.6491 173.2666 74 L 4.8244 7.4933 119.7154 52.6835 43.8451 176.0896 75 E 4.3928 8.3331 120.4299 55.3874 30.6046 176.1599 76 E 4.0421 8.3610 119.5762 58.0574 29.8884 177.3514 77 G 4.0723 9.1110 110.5977 44.6512 0.0000 173.4624 78 K 4.9156 7.2762 118.0566 54.9933 34.6171 175.5204 79 T 4.7544 8.7914 117.1562 60.8872 71.6662 172.4964 80 V 4.9996 8.2871 116.3909 59.6181 34.5853 175.7529 81 V 4.3788 8.5615 122.1041 60.8260 34.7672 174.8514 82 G 3.9227 8.8394 115.5137 46.8982 0.0000 172.8285 83 L 4.6299 9.0048 127.0239 56.6401 42.4951 176.6612 84 D 4.7412 7.7899 115.6821 52.8741 42.5042 173.4370 85 I 5.1918 8.0696 118.3495 60.1084 41.2870 173.0160 86 N 5.2464 8.9159 123.0072 51.8640 41.1558 172.8090 87 A 4.9603 8.1889 118.4764 51.2694 22.3603 175.2621 88 N 4.8686 8.9918 118.1385 51.7178 41.6637 173.5330 89 H 4.9453 8.6653 120.9890 54.9758 29.1029 174.9619 90 L 4.5026 8.8983 125.1958 56.6814 42.4776 177.5993 91 R 4.6033 7.5767 111.8736 54.1501 31.7938 172.7400 92 P 4.4785 0.0000 0.0000 62.6019 32.3528 175.8159 93 V 4.4405 8.2156 119.2682 61.3303 34.0278 175.7039 94 R 4.8394 8.4966 120.7306 55.3292 30.5416 174.6829 95 S 4.4539 8.0452 110.7740 58.7628 65.7199 176.1384 96 G 4.3389 8.8083 109.8036 45.3299 0.0000 172.1172 97 K 4.9730 8.3531 116.9705 55.2899 35.3980 176.0290 98 V 4.6455 8.2249 113.9670 60.0575 35.1130 174.6651 99 T 5.0668 8.9917 119.9642 61.8197 71.5695 172.7660 100 A 5.1110 9.0926 129.1938 50.3008 21.4313 175.2058 101 R 5.1088 9.2851 123.9061 54.6109 32.5649 174.3771 102 A 5.6221 9.1884 128.9272 50.6466 21.2764 175.5265 103 T 5.1823 9.2813 113.1833 59.1109 72.2882 171.8422 104 P 3.4924 0.0000 0.0000 62.8748 31.6257 175.6599 105 I 4.1660 7.8684 122.9733 62.8151 39.2974 176.0861 106 N 4.4525 7.3384 118.2794 52.5900 42.3503 173.2108 107 L 4.7913 8.6727 126.7656 53.2676 43.2430 176.1123 108 G 4.0279 8.5441 114.0091 43.4660 0.0000 172.1455 109 R 4.0851 8.4592 118.3554 58.3444 30.5041 176.5619 110 N 4.9976 8.1926 113.8573 53.4300 41.8301 174.8243 111 I 5.2033 7.6718 117.6984 59.5023 41.7464 174.6118 112 Q 5.0697 9.3061 124.0599 54.0896 32.8434 174.5087 113 V 4.8927 8.8681 122.6334 60.9889 34.3586 174.2313 114 W 5.1343 9.5402 127.8431 54.9203 32.6590 174.1610 115 Q 5.0806 9.2787 125.0497 54.6734 30.9125 174.2824 116 I 5.1169 9.2031 126.6593 59.8221 40.9442 173.8544 117 D 5.3727 9.0592 127.3477 52.5108 43.5772 175.3198 118 I 5.0201 8.8473 124.5272 59.6716 39.7312 175.0537 119 R 5.2373 9.0784 125.9830 54.5078 34.0036 175.9760 120 T 4.5412 8.6185 112.5881 60.2105 70.6187 175.5539 121 E 3.9431 8.6050 118.2935 58.9154 29.4000 177.9051 122 E 4.3155 8.1697 118.4526 55.7841 29.4456 176.3789 123 N 4.6118 8.1935 114.6000 54.0149 36.8711 173.8879 124 K 4.3831 7.2678 117.9872 54.5710 33.3459 176.0512 125 L 4.4457 8.5280 126.0415 55.4842 42.4271 175.8818 126 C 4.7814 8.9611 120.7827 58.7107 32.2074 173.1217 127 C 5.2321 7.6909 118.2780 58.4748 34.7501 172.7095 128 V 4.9691 8.5889 118.5766 59.7622 35.0103 174.6371 129 S 5.1082 9.3119 118.5087 56.7918 66.7694 172.3574 130 R 5.1601 8.9073 123.6907 54.4543 33.3064 173.5359 131 L 5.2282 9.2902 128.1834 53.5897 45.3174 174.8269 132 T 5.1354 9.0402 122.5485 61.8915 71.0127 173.2356 133 L 5.2728 9.4227 126.4411 52.9658 45.5131 175.2250 134 S 5.1256 9.0612 117.0197 56.6633 64.7667 172.8371 135 V 4.7238 8.8124 128.0068 61.8107 32.3249 174.9717 136 I 4.7630 8.6515 120.4634 59.1355 41.6599 175.4554 137 N 4.6374 8.6357 118.8355 53.6100 38.6257 175.3402 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 2 L 8.18 4.09 0.00 1.25 0.94 0.73 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 3 W 7.38 4.73 0.00 3.59 3.32 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 4 K 10.00 4.41 0.00 1.99 1.94 0.00 1.76 0.00 0.00 1.77 0.00 0.00 3.00 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.53 1.72 7.81 5 K 8.03 4.54 0.00 1.85 1.80 0.00 1.82 0.00 0.00 1.76 0.00 0.00 3.09 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.67 1.69 7.81 6 T 8.05 4.42 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 1.21 0.00 0.00 7 F 7.37 4.70 0.00 2.85 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 8 T 7.95 4.58 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 1.14 0.00 0.00 9 L 8.70 3.92 0.00 1.79 1.83 1.15 0.95 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 10 E 8.13 3.91 0.00 2.04 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 2.37 2.41 0.00 11 N 8.22 4.38 0.00 2.94 2.82 0.00 0.00 7.10 6.30 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 12 L 8.12 3.87 0.00 1.71 1.54 0.41 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 13 N 7.79 4.29 0.00 2.87 2.86 0.00 0.00 7.04 7.43 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 14 Q 7.82 4.07 0.00 2.16 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.80 0.00 0.00 0.00 0.00 0.00 2.34 2.39 0.00 15 L 7.93 3.93 0.00 1.64 1.87 0.87 0.78 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 16 C 8.12 4.38 0.00 2.96 2.89 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 17 S 7.01 4.46 0.00 3.95 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 18 N 8.67 4.18 0.00 2.83 2.90 0.00 0.00 6.71 7.57 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 19 S 7.79 4.53 0.00 3.95 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 20 A 8.58 4.03 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 21 V 7.61 3.49 2.25 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 1.05 0.00 0.00 0.89 0.00 0.00 22 S 7.72 4.20 0.00 3.93 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 23 H 8.13 4.25 0.00 3.28 3.58 0.00 5.93 0.00 0.00 0.00 0.00 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 L 7.40 4.60 0.00 1.62 1.63 0.92 1.27 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 25 G 7.75 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 26 I 7.61 4.23 2.00 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 1.11 0.71 0.90 0.00 0.00 27 E 9.10 4.73 0.00 1.99 1.75 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 2.20 2.37 0.00 28 I 8.83 4.29 1.83 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 1.38 0.80 0.86 0.00 0.00 29 S 8.69 4.25 0.00 4.01 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 30 A 7.75 4.63 1.47 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 31 F 7.96 4.57 0.00 3.18 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 32 G 7.85 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 0.00 0.00 0.00 33 E 8.84 3.99 0.00 1.95 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 2.23 2.27 0.00 34 D 7.35 4.38 0.00 2.71 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 35 W 7.80 5.63 0.00 3.65 3.34 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 36 I 9.14 5.32 1.92 0.00 0.00 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 1.61 0.98 0.00 0.00 37 E 10.29 5.98 0.00 2.14 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 2.41 2.68 0.00 38 A 8.39 5.09 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 39 T 9.03 5.34 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 1.25 0.00 0.00 *41 P 0.00 4.29 0.00 2.27 2.13 0.00 3.74 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 1.87 1.96 0.00 42 V 8.58 4.51 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.96 0.00 0.00 43 D 7.82 4.59 0.00 2.72 2.70 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 0.00 0.00 0.00 44 H 9.05 4.18 0.00 3.16 3.39 0.00 5.69 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 45 R 8.56 4.16 0.00 1.87 1.92 0.00 3.04 0.00 0.00 3.23 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.54 0.00 46 T 7.94 4.50 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 *48 Q 7.53 4.26 0.00 2.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.95 7.01 0.00 0.00 0.00 0.00 0.00 2.17 2.32 0.00 49 P 0.00 4.31 0.00 1.99 1.99 0.00 2.87 0.00 0.00 3.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 1.64 0.00 50 F 6.94 4.53 0.00 3.10 3.05 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 51 G 8.62 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 52 V 7.25 4.72 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 0.78 0.00 0.00 1.09 0.00 0.00 53 L 9.03 3.97 0.00 1.67 1.61 0.98 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 54 H 9.43 4.15 0.00 3.25 3.19 0.00 5.65 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 55 G 9.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 G 8.18 3.71 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 0.00 57 V 7.91 3.64 2.23 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 1.05 0.00 0.00 0.81 0.00 0.00 58 S 8.06 4.16 0.00 4.18 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 59 V 7.66 3.64 2.28 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 1.13 0.00 0.00 1.07 0.00 0.00 60 A 7.88 3.97 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 61 L 8.10 3.83 0.00 1.79 1.93 0.93 0.92 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 62 A 7.99 4.00 1.41 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 0.00 0.00 0.00 63 E 8.50 3.90 0.00 2.04 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 2.28 2.34 0.00 64 T 7.84 3.75 4.39 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 1.15 0.00 0.00 65 I 8.01 3.67 1.85 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.21 1.02 0.00 0.00 66 G 8.15 3.34 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 0.00 67 S 8.35 3.96 0.00 3.74 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 68 L 7.84 3.68 0.00 1.65 1.57 0.66 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 69 A 7.32 3.78 0.52 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 70 G 7.10 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 71 S 7.88 4.23 0.00 4.04 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 72 L 7.84 4.22 0.00 1.78 1.57 -0.81 0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 73 C 7.95 4.94 0.00 3.46 3.14 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.49 4.82 0.00 1.81 1.60 0.97 1.04 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 75 E 8.33 4.39 0.00 2.06 1.92 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 2.43 2.36 0.00 76 E 8.36 4.04 0.00 1.97 1.89 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 2.33 2.26 0.00 77 G 9.11 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 78 K 7.28 4.92 0.00 1.75 1.73 0.00 1.68 0.00 0.00 1.66 0.00 0.00 2.90 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.55 1.36 7.81 79 T 8.79 4.75 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 80 V 8.29 5.00 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 0.80 0.00 0.00 0.92 0.00 0.00 81 V 8.56 4.38 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 0.98 0.00 0.00 0.93 0.00 0.00 82 G 8.84 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 0.00 0.00 0.00 83 L 9.00 4.63 0.00 1.75 1.75 0.94 1.15 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 84 D 7.79 4.74 0.00 2.77 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 85 I 8.07 5.19 1.90 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 1.43 0.92 0.99 0.00 0.00 86 N 8.92 5.25 0.00 2.85 2.85 0.00 0.00 6.87 7.95 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 87 A 8.19 4.96 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 88 N 8.99 4.87 0.00 2.67 2.69 0.00 0.00 7.06 8.80 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 89 H 8.67 4.95 0.00 3.05 3.25 0.00 5.71 0.00 0.00 0.00 0.00 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 L 8.90 4.50 0.00 1.66 1.73 0.99 0.74 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 91 R 7.58 4.60 0.00 1.88 1.86 0.00 3.04 0.00 0.00 3.28 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.61 0.00 92 P 0.00 4.48 0.00 2.21 2.10 0.00 3.71 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.95 0.00 93 V 8.22 4.44 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 1.06 0.00 0.00 0.94 0.00 0.00 94 R 8.50 4.84 0.00 1.97 2.01 0.00 3.14 0.00 0.00 3.28 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.58 0.00 95 S 8.05 4.45 0.00 3.95 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 96 G 8.81 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 0.00 0.00 0.00 0.00 97 K 8.35 4.97 0.00 1.75 1.79 0.00 1.56 0.00 0.00 1.72 0.00 0.00 2.78 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.31 1.44 7.81 98 V 8.22 4.65 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 0.88 0.00 0.00 0.94 0.00 0.00 99 T 8.99 5.07 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 1.26 0.00 0.00 100 A 9.09 5.11 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 0.00 101 R 9.29 5.11 0.00 1.85 1.82 0.00 2.95 0.00 0.00 3.01 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.72 0.00 102 A 9.19 5.62 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 0.00 103 T 9.28 5.18 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 1.41 0.00 0.00 104 P 0.00 3.49 0.00 1.46 0.62 0.00 3.79 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 1.72 1.67 0.00 105 I 7.87 4.17 1.91 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 1.07 0.56 0.85 0.00 0.00 106 N 7.34 4.45 0.00 2.64 2.52 0.00 0.00 7.00 6.66 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 0.00 107 L 8.67 4.79 0.00 1.45 1.57 0.80 0.65 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 0.00 108 G 8.54 4.03 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 0.00 0.00 0.00 109 R 8.46 4.09 0.00 1.79 1.98 0.00 3.20 0.00 0.00 3.23 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.66 0.00 110 N 8.19 5.00 0.00 2.67 2.81 0.00 0.00 6.92 7.32 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 0.00 111 I 7.67 5.20 1.89 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 1.36 1.00 0.97 0.00 0.00 112 Q 9.31 5.07 0.00 2.18 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.75 0.00 0.00 0.00 0.00 0.00 2.34 2.37 0.00 113 V 8.87 4.89 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 1.09 0.00 0.00 0.93 0.00 0.00 114 W 9.54 5.13 0.00 3.30 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 0.00 115 Q 9.28 5.08 0.00 2.14 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.75 0.00 0.00 0.00 0.00 0.00 2.34 2.36 0.00 116 I 9.20 5.12 1.94 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 1.44 0.70 0.97 0.00 0.00 117 D 9.06 5.37 0.00 2.69 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 0.00 118 I 8.85 5.02 1.90 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.87 0.98 0.00 0.00 119 R 9.08 5.24 0.00 1.69 1.78 0.00 3.08 0.00 0.00 3.19 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.52 0.00 120 T 8.62 4.54 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 1.28 0.00 0.00 121 E 8.60 3.94 0.00 2.17 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 2.36 2.34 0.00 122 E 8.17 4.32 0.00 2.04 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 2.28 2.41 0.00 123 N 8.19 4.61 0.00 2.82 2.88 0.00 0.00 6.85 7.91 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 0.00 124 K 7.27 4.38 0.00 1.65 1.72 0.00 1.67 0.00 0.00 1.57 0.00 0.00 2.90 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.40 1.51 7.81 125 L 8.53 4.45 0.00 1.58 1.59 0.92 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 126 C 8.96 4.78 0.00 3.17 3.14 0.00 0.00 0.00 0.00 0.00 0.00 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 C 7.69 5.23 0.00 3.06 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 0.00 128 V 8.59 4.97 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 0.74 0.00 0.00 0.94 0.00 0.00 129 S 9.31 5.11 0.00 3.84 3.67 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 0.00 130 R 8.91 5.16 0.00 1.94 1.88 0.00 3.11 0.00 0.00 3.12 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.79 0.00 131 L 9.29 5.23 0.00 1.81 1.60 0.99 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 132 T 9.04 5.14 4.48 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 1.25 0.00 0.00 133 L 9.42 5.27 0.00 1.66 1.61 0.99 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 134 S 9.06 5.13 0.00 3.87 3.71 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 0.00 135 V 8.81 4.72 2.25 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 0.86 0.00 0.00 0.99 0.00 0.00 136 I 8.65 4.76 1.88 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 1.35 0.76 0.92 0.00 0.00 137 N 8.64 4.64 0.00 2.74 2.77 0.00 0.00 6.79 7.56 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 * Residues marked with a * may have inaccurate shift predictions.