NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 S 4.4652 8.1933 115.4111 57.9555 64.6881 174.4026 7 T 3.6677 8.3515 117.4438 65.9306 68.1127 175.2745 8 K 4.0152 8.1623 121.3848 59.0017 32.6038 178.4425 9 K 3.8816 7.6637 118.8564 59.7721 32.1051 178.8758 10 T 3.9721 7.6371 115.5532 66.7514 68.4176 176.2574 11 Q 3.9149 8.6300 121.6734 59.0671 29.0445 178.2462 12 L 3.8723 7.9075 121.1642 58.2865 42.1634 178.6843 13 Q 3.9744 8.2301 118.2854 59.2905 28.5970 179.3400 14 L 4.0469 8.2557 120.0009 57.6552 41.5987 179.1895 15 E 3.9537 8.3192 119.4140 59.4840 29.5354 178.6809 16 H 4.1964 8.4000 116.2804 58.7651 28.8465 177.2607 17 L 3.9453 8.0760 122.2355 58.1973 41.8387 178.7286 18 L 3.9908 8.1548 120.1856 58.3439 42.0413 178.9101 19 L 4.0448 8.3765 119.1893 57.8545 41.5462 179.2454 20 D 4.3592 8.2875 118.7726 57.4433 40.7463 178.9151 21 L 4.0106 7.9707 119.2639 58.0586 41.5755 179.7108 22 Q 3.9955 8.6333 118.3686 58.8473 28.5469 178.3187 23 M 3.9928 8.4749 119.8075 58.8320 32.2683 178.2925 24 I 3.6933 7.6635 119.6341 64.2771 37.2746 178.0798 25 L 3.9400 8.1174 121.1622 58.4020 41.7150 178.7926 26 N 4.4758 8.2761 115.2890 56.3802 38.5664 177.4638 27 G 3.7297 8.2449 106.3237 46.9123 0.0000 174.8551 28 I 4.3071 7.5463 113.8456 61.5359 40.0218 176.1808 29 N 4.6852 8.1856 120.9646 50.4360 37.5418 173.1101 30 N 4.6780 7.5702 116.9888 51.3240 39.9526 174.7359 31 Y 4.3397 8.8918 118.1165 58.3264 38.3327 176.1953 32 K 3.8188 8.7241 116.9439 57.1140 29.7039 176.4273 33 N 4.8662 7.4339 117.5292 51.2709 38.5659 172.7243 34 P 4.5604 0.0000 0.0000 62.8046 31.9737 177.9355 35 K 4.2701 7.9638 118.4891 57.2991 32.3017 178.1054 36 L 3.9935 7.7752 121.9777 58.7144 41.7079 179.1211 37 T 4.0030 7.8154 107.4837 64.7035 69.0668 176.4279 38 R 4.0030 7.9398 120.5729 59.2098 29.6896 178.6134 39 M 4.4302 8.2806 118.6484 58.3466 31.7272 178.6598 40 L 4.2183 7.8246 118.4292 57.3131 41.8234 178.8914 41 T 4.0094 7.2713 108.7191 62.4196 69.3371 175.0080 42 F 4.3793 7.0447 120.3198 57.1379 39.5933 174.8484 43 K 4.4662 8.5133 124.8004 55.6251 32.7177 176.2083 44 F 4.4208 9.4937 125.0000 56.2486 41.2262 174.6621 45 Y 4.9612 9.4308 119.8269 56.9922 39.6260 175.1129 46 M 5.3456 8.8854 121.6770 52.6088 35.9370 173.2871 47 P 4.4837 0.0000 0.0000 62.9969 31.4721 176.2139 48 K 4.3014 9.0442 126.2641 58.7327 32.6659 177.2892 49 K 4.5529 7.8240 116.2193 55.1226 35.3613 176.3728 50 A 4.5675 8.1976 124.3447 51.3456 19.4965 175.4227 51 T 4.6973 8.6262 108.6055 61.1984 70.7387 174.2097 52 E 4.7717 8.2094 119.1073 53.5667 32.9212 175.6223 53 L 4.1946 8.8145 119.8689 58.3076 41.6816 180.0486 54 K 4.1331 7.8490 117.6330 59.8533 32.5628 178.5195 55 H 4.4625 8.2333 117.2909 57.8567 28.5770 177.0795 56 L 3.7295 7.8125 121.1963 56.8931 41.3583 178.9163 57 Q 4.0427 8.0218 118.4245 59.5132 28.4846 178.3884 58 C 4.3604 8.1363 116.1075 59.9058 39.8766 175.8783 59 L 3.5146 7.1582 121.2353 57.8894 41.6484 178.0429 60 E 3.8239 7.9255 119.7675 59.5311 29.4847 178.6609 61 E 4.2615 8.0238 114.7363 58.0181 29.8183 177.7234 62 E 4.6295 8.4408 118.3091 56.1278 30.1877 177.5560 63 L 4.0695 7.8020 120.8606 57.5654 41.4862 179.0311 64 K 3.9003 8.0365 119.4199 59.0547 32.3052 176.8541 65 P 4.0825 0.0000 0.0000 65.6076 30.9050 177.8162 66 L 4.1924 8.1725 120.1506 58.2908 42.0506 178.6614 67 E 3.9312 8.2954 119.0225 59.1758 29.2733 178.6572 68 E 3.8302 7.6743 117.8508 59.4313 29.7892 179.0220 69 V 3.6307 7.6904 118.1655 65.9230 31.5407 177.9793 70 L 3.9914 8.2202 118.8231 57.9905 41.3952 179.1215 71 N 4.4412 8.3971 114.5352 55.3951 38.5777 176.1776 72 L 4.3967 7.4689 118.5884 53.7830 42.2190 176.0409 73 A 4.4567 7.6113 123.5107 51.4186 19.7514 178.3769 74 Q 4.7838 8.3756 124.4435 55.2417 30.8928 176.5410 75 S 3.9583 8.3398 115.9731 59.6105 61.7677 176.1360 *80 L 4.1392 8.8762 114.5460 54.7850 43.6708 176.0175 81 R 4.6987 7.8904 119.7851 52.9822 30.1101 173.3261 82 P 4.2318 0.0000 0.0000 66.3563 31.7343 177.5385 83 R 3.9957 7.9525 116.8148 59.6315 30.0693 178.0092 84 D 4.3342 8.0082 117.8733 57.3230 40.9649 178.2862 85 L 3.9406 7.7543 120.4658 58.5366 41.9799 179.2248 86 I 3.8381 8.4612 120.1229 64.1505 36.9974 178.5872 87 S 4.1175 8.2353 115.3617 61.4429 62.9276 176.4096 88 N 4.3209 8.6711 120.4999 56.1624 38.2413 177.4920 89 I 3.7166 7.8187 121.2262 64.1554 37.1661 177.6757 90 N 4.2158 8.3832 118.2005 57.1878 38.8423 177.3243 91 V 3.6692 7.8071 113.4278 64.2645 31.5090 178.8301 92 I 3.6709 7.6966 119.3041 64.3721 37.0442 178.2890 93 V 3.5500 7.8989 119.2734 66.3859 31.3934 178.1066 94 L 4.1053 8.0222 118.3004 57.6880 41.1754 179.4193 95 E 4.0697 7.9068 117.6506 59.2848 29.4949 179.1755 96 L 4.1585 7.9542 118.1911 57.7528 41.9151 179.5829 97 K 4.2384 8.3492 117.4840 59.1682 32.4131 176.9934 98 G 4.2218 7.5829 114.7988 45.3187 0.0000 175.8938 *103 F 4.6198 7.2080 116.9492 56.2397 38.9173 174.7373 104 M 3.9417 7.8872 122.0085 54.2208 31.2514 175.8528 105 C 3.8569 8.0448 124.8561 55.5265 44.3143 172.3633 106 E 4.5799 8.3546 125.4140 55.4263 31.1406 174.7488 107 Y 5.2224 8.5003 120.4314 56.1833 40.2638 175.4135 108 A 4.2993 9.4061 124.7678 52.0323 18.9092 177.9186 109 D 4.5063 8.8587 119.6742 57.4006 41.1977 177.7605 110 E 4.1326 8.1097 118.3289 56.4296 29.9571 176.6609 111 T 4.5886 8.2739 113.7064 60.8434 70.8597 173.3526 112 A 5.1757 8.9209 123.5192 50.1073 23.1552 175.7898 113 T 4.6419 8.6066 109.3551 61.2184 70.3041 175.9196 114 I 3.0195 8.6632 122.5150 64.4203 36.8940 178.7169 115 V 3.6434 7.7500 118.2933 66.2340 31.4469 177.8256 116 E 3.9742 8.0147 118.2845 59.2009 29.2953 179.2353 117 F 4.1767 8.4712 121.0362 61.2794 39.4715 177.2553 118 L 3.9609 8.7377 119.4947 58.0223 41.4534 179.3486 119 N 4.3330 8.4003 116.4592 56.0450 38.3668 177.5525 120 R 3.6826 7.8335 120.3278 59.2530 30.1869 178.7302 121 W 4.2470 7.6021 118.1196 59.4045 28.8544 178.8029 122 I 3.7581 8.0510 120.1516 64.7312 36.5223 178.2439 123 T 3.8383 7.9618 116.6057 66.7831 68.3262 175.9343 124 F 4.0353 8.2832 122.1371 61.6412 39.3059 176.6314 125 C 3.9324 8.3941 115.9423 63.3122 28.1378 176.4977 126 Q 3.9905 8.3492 119.6097 58.7143 27.1525 179.0886 127 S 4.0284 8.1304 115.7151 61.5546 63.0347 176.7881 128 I 3.7715 7.3385 123.6421 63.7625 36.6226 178.2290 129 I 3.6624 7.6958 120.1679 64.6268 37.0558 178.3817 130 S 4.2421 7.7870 113.6631 61.3112 63.1270 176.1618 131 T 4.0984 7.3825 113.8382 64.2851 68.6629 176.7556 132 L 4.0756 7.7096 120.8374 57.2859 41.6449 177.3705 133 T 4.1984 7.3811 118.7941 63.7222 69.6352 173.4466 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 6 S 8.19 4.47 0.00 4.01 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 7 T 8.35 3.67 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 1.23 0.00 0.00 8 K 8.16 4.02 0.00 1.85 1.79 0.00 1.60 0.00 0.00 1.73 0.00 0.00 2.98 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.49 1.54 7.81 9 K 7.66 3.88 0.00 1.93 1.90 0.00 1.69 0.00 0.00 1.64 0.00 0.00 2.92 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.42 1.46 7.81 10 T 7.64 3.97 4.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 11 Q 8.63 3.91 0.00 2.24 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.81 0.00 0.00 0.00 0.00 0.00 2.34 2.35 0.00 12 L 7.91 3.87 0.00 1.99 1.76 0.90 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 13 Q 8.23 3.97 0.00 2.27 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.58 0.00 0.00 0.00 0.00 0.00 2.37 2.46 0.00 14 L 8.26 4.05 0.00 1.91 1.72 0.86 1.08 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 15 E 8.32 3.95 0.00 2.07 2.14 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 2.37 2.38 0.00 16 H 8.40 4.20 0.00 3.39 3.33 0.00 5.71 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 L 8.08 3.95 0.00 1.79 1.92 0.90 0.49 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 18 L 8.15 3.99 0.00 2.00 1.94 1.00 0.95 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 19 L 8.38 4.04 0.00 1.83 1.70 0.91 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 20 D 8.29 4.36 0.00 2.86 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 21 L 7.97 4.01 0.00 1.90 1.76 1.02 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 22 Q 8.63 4.00 0.00 2.06 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.77 0.00 0.00 0.00 0.00 0.00 2.40 2.48 0.00 23 M 8.47 3.99 0.00 2.23 2.11 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.60 0.00 24 I 7.66 3.69 2.03 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 1.43 0.59 0.94 0.00 0.00 25 L 8.12 3.94 0.00 1.77 1.82 0.94 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 26 N 8.28 4.48 0.00 2.87 2.88 0.00 0.00 7.08 8.52 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 27 G 8.24 3.73 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 0.00 0.00 0.00 28 I 7.55 4.31 1.90 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 1.76 0.74 0.94 0.00 0.00 29 N 8.19 4.69 0.00 2.75 2.85 0.00 0.00 7.09 7.42 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 30 N 7.57 4.68 0.00 2.96 2.91 0.00 0.00 5.85 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 31 Y 8.89 4.34 0.00 3.14 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 32 K 8.72 3.82 0.00 1.54 1.75 0.00 1.58 0.00 0.00 1.54 0.00 0.00 3.09 0.00 0.00 3.14 0.00 0.00 0.00 0.00 0.30 0.74 7.81 33 N 7.43 4.87 0.00 2.79 2.82 0.00 0.00 7.24 7.59 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 34 P 0.00 4.56 0.00 2.09 2.08 0.00 3.72 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 2.10 0.00 35 K 7.96 4.27 0.00 1.94 1.89 0.00 1.74 0.00 0.00 1.77 0.00 0.00 2.90 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.51 1.63 7.81 36 L 7.78 3.99 0.00 1.94 1.72 1.02 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 37 T 7.82 4.00 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 1.22 0.00 0.00 38 R 7.94 4.00 0.00 2.01 2.02 0.00 3.24 0.00 0.00 3.28 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.67 0.00 39 M 8.28 4.43 0.00 2.22 2.36 0.00 0.00 0.00 0.00 0.00 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.91 2.73 0.00 40 L 7.82 4.22 0.00 1.89 1.74 1.01 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 41 T 7.27 4.01 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 1.11 0.00 0.00 42 F 7.04 4.38 0.00 3.21 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 43 K 8.51 4.47 0.00 1.44 1.39 0.00 1.67 0.00 0.00 1.61 0.00 0.00 2.88 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.31 1.40 7.81 44 F 9.49 4.42 0.00 2.99 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 Y 9.43 4.96 0.00 2.70 2.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 M 8.89 5.35 0.00 1.99 2.08 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.69 2.67 0.00 47 P 0.00 4.48 0.00 2.06 2.11 0.00 3.74 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 1.61 1.01 0.00 48 K 9.04 4.30 0.00 1.85 1.96 0.00 1.76 0.00 0.00 1.78 0.00 0.00 3.00 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.47 1.42 7.81 49 K 7.82 4.55 0.00 1.73 1.67 0.00 1.70 0.00 0.00 1.74 0.00 0.00 3.00 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.30 1.37 7.81 50 A 8.20 4.57 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 T 8.63 4.70 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 52 E 8.21 4.77 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 1.89 2.06 0.00 53 L 8.81 4.19 0.00 1.72 2.00 0.92 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 54 K 7.85 4.13 0.00 1.69 1.87 0.00 1.17 0.00 0.00 1.54 0.00 0.00 2.61 0.00 0.00 2.32 0.00 0.00 0.00 0.00 0.92 0.26 7.81 55 H 8.23 4.46 0.00 3.40 3.43 0.00 5.63 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 L 7.81 3.73 0.00 1.85 1.58 1.10 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 57 Q 8.02 4.04 0.00 2.58 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.77 0.00 0.00 0.00 0.00 0.00 2.51 2.94 0.00 58 C 8.14 4.36 0.00 3.52 3.56 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 59 L 7.16 3.51 0.00 0.27 0.93 0.24 0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 60 E 7.93 3.82 0.00 2.09 2.14 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 2.32 2.30 0.00 61 E 8.02 4.26 0.00 2.27 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.62 0.00 62 E 8.44 4.63 0.00 2.45 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 2.55 3.09 0.00 63 L 7.80 4.07 0.00 1.78 1.73 0.90 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 64 K 8.04 3.90 0.00 1.85 1.77 0.00 1.59 0.00 0.00 1.85 0.00 0.00 3.06 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.47 1.51 7.81 65 P 0.00 4.08 0.00 1.81 2.01 0.00 3.72 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 2.11 1.89 0.00 66 L 8.17 4.19 0.00 2.10 1.95 0.95 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 67 E 8.30 3.93 0.00 2.19 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 2.29 2.35 0.00 68 E 7.67 3.83 0.00 1.94 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.23 0.00 69 V 7.69 3.63 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 1.02 0.00 0.00 70 L 8.22 3.99 0.00 1.85 1.72 0.95 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 71 N 8.40 4.44 0.00 2.77 2.88 0.00 0.00 7.13 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 72 L 7.47 4.40 0.00 1.77 1.76 1.01 1.24 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 73 A 7.61 4.46 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 74 Q 8.38 4.78 0.00 2.04 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 7.07 0.00 0.00 0.00 0.00 0.00 2.28 2.32 0.00 75 S 8.34 3.96 0.00 3.96 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *80 L 8.88 4.14 0.00 1.63 1.65 0.93 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 81 R 7.89 4.70 0.00 2.01 1.99 0.00 3.08 0.00 0.00 3.34 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.71 0.00 82 P 0.00 4.23 0.00 2.26 2.15 0.00 3.60 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.15 0.00 83 R 7.95 4.00 0.00 1.91 1.92 0.00 3.33 0.00 0.00 3.33 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.79 0.00 84 D 8.01 4.33 0.00 2.76 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 85 L 7.75 3.94 0.00 1.89 1.91 0.93 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 86 I 8.46 3.84 1.94 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 1.75 0.81 0.95 0.00 0.00 87 S 8.24 4.12 0.00 4.06 4.29 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 88 N 8.67 4.32 0.00 2.88 2.91 0.00 0.00 7.02 7.15 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 89 I 7.82 3.72 1.99 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 1.41 0.80 0.87 0.00 0.00 90 N 8.38 4.22 0.00 2.92 3.02 0.00 0.00 7.23 8.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 V 7.81 3.67 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 0.88 0.00 0.00 1.03 0.00 0.00 92 I 7.70 3.67 1.88 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 0.76 0.97 0.00 0.00 93 V 7.90 3.55 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 0.77 0.00 0.00 0.88 0.00 0.00 94 L 8.02 4.11 0.00 1.89 1.70 0.92 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 95 E 7.91 4.07 0.00 2.22 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 2.35 2.50 0.00 96 L 7.95 4.16 0.00 1.77 1.78 0.97 1.27 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 97 K 8.35 4.24 0.00 1.95 2.06 0.00 1.61 0.00 0.00 1.73 0.00 0.00 3.07 0.00 0.00 3.24 0.00 0.00 0.00 0.00 1.53 1.47 7.81 98 G 7.58 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 0.00 0.00 0.00 0.00 *103 F 7.21 4.62 0.00 3.21 3.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 M 7.89 3.94 0.00 1.80 1.84 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.36 0.00 105 C 8.04 3.86 0.00 2.77 2.61 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 0.00 106 E 8.35 4.58 0.00 2.03 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 2.27 2.28 0.00 107 Y 8.50 5.22 0.00 2.91 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 0.00 108 A 9.41 4.30 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 0.00 109 D 8.86 4.51 0.00 2.73 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 0.00 110 E 8.11 4.13 0.00 1.98 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 2.34 2.39 0.00 111 T 8.27 4.59 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 0.91 0.00 0.00 112 A 8.92 5.18 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 0.00 113 T 8.61 4.64 4.31 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 1.27 0.00 0.00 114 I 8.66 3.02 1.82 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 1.65 0.91 0.52 0.00 0.00 115 V 7.75 3.64 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 1.22 0.00 0.00 0.96 0.00 0.00 116 E 8.01 3.97 0.00 2.21 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 2.35 2.34 0.00 117 F 8.47 4.18 0.00 3.14 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 0.00 118 L 8.74 3.96 0.00 1.75 1.73 0.95 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 119 N 8.40 4.33 0.00 2.80 2.85 0.00 0.00 6.71 7.62 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 0.00 120 R 7.83 3.68 0.00 1.83 1.59 0.00 2.93 0.00 0.00 2.98 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.88 0.00 121 W 7.60 4.25 0.00 3.23 3.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 I 8.05 3.76 2.08 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 1.57 0.75 0.93 0.00 0.00 123 T 7.96 3.84 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 1.18 0.00 0.00 124 F 8.28 4.04 0.00 2.97 3.39 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 0.00 125 C 8.39 3.93 0.00 3.27 3.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 126 Q 8.35 3.99 0.00 2.21 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.81 0.00 0.00 0.00 0.00 0.00 2.38 2.53 0.00 127 S 8.13 4.03 0.00 3.94 4.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 I 7.34 3.77 1.62 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 0.95 0.30 0.80 0.00 0.00 129 I 7.70 3.66 1.83 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 1.55 0.56 0.89 0.00 0.00 130 S 7.79 4.24 0.00 4.02 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 0.00 131 T 7.38 4.10 4.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 132 L 7.71 4.08 0.00 1.88 1.94 0.88 0.82 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 0.00 133 T 7.38 4.20 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 1.20 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.