NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 G 3.8362 8.3544 109.7197 44.9105 0.0000 173.9879 4 D 4.2062 8.3679 122.2106 52.8211 42.7812 175.5737 5 K 3.9151 9.4792 128.8044 59.7545 32.6846 178.6559 6 K 3.9843 8.0602 118.2349 59.0273 32.0228 179.3255 7 V 3.6591 8.2380 118.9572 66.2536 31.3951 178.0890 8 I 3.8066 7.8067 119.3775 64.5614 36.8059 178.5004 9 Q 3.9543 7.9555 118.6140 59.1298 28.4295 178.4479 10 H 4.1481 8.3966 117.3819 58.9286 28.7452 177.7677 11 L 4.0017 8.4526 121.0959 58.0871 41.3713 179.4839 12 N 4.3664 8.5221 116.4716 55.8181 38.4928 177.5180 13 K 3.9361 8.2118 121.6068 59.5320 32.3467 179.0020 14 I 3.7337 8.0628 120.4272 64.0901 36.9295 177.9911 15 L 4.0375 8.1812 121.4898 58.2944 41.7969 179.1614 16 G 3.6915 8.3482 105.7823 48.1747 0.0000 175.3283 17 N 4.4016 8.0994 118.2350 55.9740 38.5254 177.4675 18 E 3.9787 8.3392 120.1536 59.2964 29.4076 179.2039 19 L 4.0140 8.1323 119.2184 57.8468 41.5628 179.7536 20 I 3.6439 7.5603 119.2360 64.3534 37.0014 178.4232 21 A 3.2707 7.7224 121.3674 54.6303 18.0841 179.3848 22 I 3.6246 7.9898 118.8289 65.0137 37.1794 178.3607 23 N 4.3884 7.8074 116.9167 56.2090 38.3046 177.4008 24 Q 3.8444 8.1432 121.1739 59.5420 29.1173 178.0483 25 Y 4.6301 8.1537 118.1384 60.9096 37.8537 178.2401 26 F 3.8671 8.4358 121.8020 61.0816 39.5514 176.9057 27 L 3.9696 8.3016 120.2078 58.6341 41.9183 178.5624 28 H 3.8105 8.3237 116.2114 58.7057 28.5849 177.4557 29 S 4.3465 8.7060 115.3421 61.9239 62.1292 176.7436 30 R 3.8990 7.8708 120.2715 59.0785 29.8357 179.0780 31 M 3.4974 7.8823 118.8568 57.8803 31.7883 178.6351 32 W 4.5312 7.7204 118.9605 59.9948 29.1769 178.2276 33 N 4.3645 8.3587 116.3231 56.5362 37.7882 176.9212 34 D 4.3178 8.0920 118.3482 56.7382 41.3328 177.5113 35 W 4.9119 7.8895 116.7910 56.7826 29.2756 177.2014 36 G 4.0241 8.5840 108.3839 45.5174 0.0000 174.0988 37 L 4.9101 8.0693 121.9343 53.3802 40.3691 177.6044 38 K 4.0958 8.3037 121.5557 59.0100 32.4469 179.2438 39 R 3.8573 7.8754 119.1126 59.2797 29.9770 178.4506 40 L 3.7724 7.7730 118.4097 57.6432 41.5537 179.4570 41 G 3.8299 8.1763 105.3132 47.8943 0.0000 175.5372 42 A 3.9885 8.4007 123.6684 55.1051 18.4397 179.1028 43 H 3.8892 8.2719 116.7940 59.5271 29.8963 177.0926 44 E 4.0762 8.5723 120.9613 58.9153 29.4514 178.0934 45 Y 3.9442 7.9573 119.9124 61.0674 38.8626 177.7358 46 H 3.9883 8.1041 117.0230 58.7953 28.7023 177.7460 47 E 3.8468 7.9933 120.4822 59.2452 29.1913 179.0095 48 S 4.2773 8.2612 113.2856 61.7332 62.4339 176.4388 49 I 3.5903 7.6483 122.1830 64.4462 36.8288 177.8945 50 D 4.3166 8.1250 119.7371 57.7298 40.5672 179.0847 51 E 4.1849 8.1748 118.7817 59.4986 29.4891 178.9898 52 M 3.9991 8.2443 119.0144 58.6523 32.1314 179.0753 53 K 4.0110 7.9668 118.3064 59.6181 32.0931 179.1988 54 H 4.2682 8.1931 116.3669 58.7491 28.5733 177.6232 55 A 3.9782 8.2746 122.7558 55.1581 18.2497 178.9310 56 D 4.2909 8.1312 116.4760 57.7536 41.2550 178.9189 57 K 4.0359 7.9575 118.2340 59.1558 31.9477 179.1162 58 L 4.0030 8.2051 119.7217 58.1691 41.7188 179.6976 59 I 3.7303 8.1238 119.6951 64.4929 37.0212 178.4371 60 E 4.0000 8.3204 119.3553 59.3222 29.2778 179.3173 61 R 4.0028 8.1855 118.7734 59.5301 30.0714 178.5400 62 I 3.7241 8.1700 119.9329 64.5842 37.2504 178.5006 63 L 4.0032 7.9345 119.5245 57.6261 41.1697 179.3760 64 F 4.3258 8.0301 120.0969 61.1309 39.4837 176.5801 65 L 3.8628 7.8953 115.5334 54.5676 41.4992 176.6895 66 E 3.6738 7.7314 117.4126 57.4179 27.2108 174.7003 67 G 3.9387 7.9745 109.3014 44.1557 0.0000 173.5828 68 L 4.5824 8.0300 119.3543 51.9796 42.7727 174.9453 69 P 4.3639 0.0000 0.0000 62.4379 31.7908 176.1577 70 N 4.7260 8.8742 121.7956 52.3994 38.6527 173.6860 71 L 4.6505 8.3367 124.2550 54.4988 42.3450 177.3368 72 Q 4.1942 8.5137 122.3670 57.5212 29.7068 175.6873 73 D 4.5291 8.1587 117.9618 53.1129 41.2136 175.3291 74 L 4.5059 8.3026 126.6037 52.7259 43.4805 176.3802 75 G 3.7920 8.3549 116.1153 44.7332 0.0000 171.3015 76 K 4.0972 8.3380 120.8789 55.7388 32.3316 176.8203 77 L 4.0902 8.3862 126.9021 54.4873 42.2542 176.8560 78 L 4.4786 8.9470 124.1655 53.3653 41.3691 175.5955 79 I 4.3617 8.1202 124.5328 59.2623 38.8360 176.6141 80 G 4.0295 8.7753 114.2845 44.9243 0.0000 172.8476 81 E 4.6540 9.3073 117.8324 56.3120 31.0916 176.0496 82 N 5.0853 7.6592 115.5557 50.7338 41.6347 175.1037 83 T 4.3819 8.5476 116.0279 67.2130 68.5462 176.5674 84 Q 3.9849 8.2439 120.9017 59.2236 29.0494 178.0900 85 E 3.9933 8.5706 119.6714 59.5389 29.5354 179.0747 86 M 3.9133 8.4738 119.1192 58.4629 31.9620 178.8122 87 L 4.1714 8.3159 119.0910 58.0085 41.8100 179.4677 88 Q 3.9752 8.3856 119.5422 59.2448 28.9624 177.9224 89 C 4.1792 8.6403 118.3209 63.0698 28.2045 175.9184 90 D 4.6655 8.3722 120.4392 57.1767 40.3236 178.5971 91 L 3.9599 8.1490 121.0023 58.3158 42.2464 178.6553 92 N 4.3256 8.7909 116.7571 56.4367 38.5045 177.1834 93 L 4.0586 8.2178 121.6225 58.1562 42.1981 178.8818 94 E 4.1105 8.4613 118.7278 59.2320 29.3210 179.1667 95 L 4.0188 8.3145 119.5404 57.8058 41.6879 179.5545 96 K 4.0093 8.0800 118.8208 59.2589 32.0471 178.7990 97 A 4.0301 7.9643 121.2429 55.4976 18.2297 179.8050 98 T 3.8649 8.1349 114.3337 66.4012 68.5216 177.0034 99 K 3.9346 7.9377 121.3785 59.6842 32.3765 178.6648 100 D 4.4192 8.1522 119.1858 57.3134 40.8074 178.7815 101 L 4.0408 8.1486 119.7553 57.8383 41.6276 179.7090 102 R 3.9713 8.2813 118.2287 59.3393 30.0617 179.0008 103 E 4.0187 8.1581 117.7653 59.1579 29.4025 179.1914 104 A 3.6386 7.8796 120.5840 54.9109 18.3643 179.8198 105 I 3.6633 7.6803 118.2859 64.2852 37.1659 178.5387 106 V 3.5715 7.7895 119.2113 66.4753 31.2113 177.6656 107 H 4.0963 8.0238 117.2173 59.2316 29.7211 176.7721 108 C 3.9178 8.1447 118.7129 62.8864 28.0383 175.5679 109 E 3.8703 8.1804 120.6224 59.6287 28.9557 178.8022 110 Q 3.9772 7.7208 117.9364 58.6963 29.1835 177.5062 111 V 3.8446 7.5474 110.7854 60.7443 31.7852 175.8967 112 H 3.0734 7.5645 114.5907 56.9410 26.7923 176.3727 113 D 4.4912 7.3779 120.8677 53.4936 38.1404 175.8694 114 Y 4.2477 7.2969 121.3950 60.3445 38.4288 177.8553 115 V 3.6631 7.8527 119.1071 66.1364 31.8069 178.0504 116 S 4.1816 8.2462 114.5693 61.5992 62.5373 176.6999 117 R 3.9081 7.8144 120.9882 59.4066 29.7971 178.1643 118 D 4.3021 8.1600 117.9403 57.0257 41.2513 177.6351 119 L 3.9491 7.9936 120.9440 58.5426 42.0704 179.1843 120 L 4.0354 8.0014 118.5950 57.4252 41.4597 179.4089 121 K 3.9329 8.3915 120.0559 59.6462 32.1639 178.5089 122 D 4.3803 8.2636 119.1464 57.5861 40.6634 178.9173 123 I 3.5612 7.8025 120.2328 64.1038 37.0314 178.3235 124 L 3.9268 7.8862 121.2669 58.1448 41.9712 178.6230 125 E 4.0066 8.3604 119.3978 59.2764 29.5392 178.7604 126 S 4.1339 8.1820 113.2890 61.4315 62.4079 175.9493 127 E 4.1060 8.5077 121.5616 59.5674 29.1360 179.2581 128 E 4.0159 8.9000 118.9736 59.3789 29.5070 179.2308 129 E 4.0821 8.3335 118.8647 59.6052 29.3983 178.8581 130 H 4.4493 8.4821 118.4730 59.1809 29.8162 177.3888 131 I 3.6720 8.0887 122.0829 64.2486 36.9387 177.5806 132 D 4.3436 8.5060 119.2963 57.6881 40.9524 177.7194 133 Y 4.1022 8.1462 119.6635 60.8174 38.7966 178.2499 134 L 3.6546 8.2385 119.9144 57.7956 41.6982 179.2649 135 E 3.9240 8.3657 118.7687 59.7399 29.3668 179.7058 136 T 3.8185 7.7606 115.6689 66.5878 68.5146 176.7576 137 Q 3.8042 7.9226 120.2767 58.8844 28.4980 179.0767 138 L 3.8460 7.7881 119.9658 57.5570 41.7382 179.5935 139 G 3.6652 8.2607 106.0822 48.0100 0.0000 175.6152 140 L 4.0298 8.2308 121.7587 57.4865 41.6499 179.6721 141 I 3.5279 7.4024 119.7729 64.3883 36.7233 178.4851 142 Q 3.9705 7.4713 117.9290 58.8939 28.6006 178.6264 143 K 4.1620 7.7700 118.3303 58.4937 32.3245 178.8604 144 V 4.2333 8.1213 110.0086 59.7216 33.2105 176.8609 145 G 4.1233 7.6330 105.3316 45.8070 0.0000 174.4358 146 L 3.9820 8.4175 122.1831 58.0330 42.1143 179.4531 147 E 3.9880 8.1291 118.1049 59.3547 29.4970 178.8455 148 N 4.3205 8.1128 116.0479 56.4036 38.4878 176.4285 149 Y 4.0413 7.9910 119.6965 60.8330 39.0989 178.0339 150 L 4.0641 8.1805 119.6947 57.8380 41.8548 179.1421 151 Q 3.9065 8.0986 119.4076 59.4458 28.7737 178.5667 152 S 4.2360 8.2944 114.4088 60.4471 63.0958 174.6161 153 H 4.6627 7.8800 118.4924 55.5835 29.4287 175.8388 154 M 4.2305 7.9616 121.7448 57.4935 31.9141 176.1310 155 H 5.0741 7.5962 114.1362 53.6147 31.0345 174.3225 156 E 4.1334 8.7551 121.9640 56.7716 29.2682 176.8016 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 3 G 8.35 3.84 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 0.00 0.00 0.00 4 D 8.37 4.21 0.00 2.86 2.55 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 5 K 9.48 3.92 0.00 1.93 1.78 0.00 1.89 0.00 0.00 1.82 0.00 0.00 2.87 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.51 1.11 7.81 6 K 8.06 3.98 0.00 2.05 1.60 0.00 1.75 0.00 0.00 1.72 0.00 0.00 2.89 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.41 1.43 7.81 7 V 8.24 3.66 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 0.99 0.00 0.00 1.05 0.00 0.00 8 I 7.81 3.81 2.03 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 1.52 0.56 0.90 0.00 0.00 9 Q 7.96 3.95 0.00 2.14 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.81 0.00 0.00 0.00 0.00 0.00 2.34 2.60 0.00 10 H 8.40 4.15 0.00 3.34 3.32 0.00 5.63 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 11 L 8.45 4.00 0.00 1.79 1.74 0.95 0.75 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 12 N 8.52 4.37 0.00 2.83 2.85 0.00 0.00 6.66 8.46 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 13 K 8.21 3.94 0.00 1.89 2.00 0.00 1.62 0.00 0.00 1.66 0.00 0.00 3.07 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.45 1.48 7.81 14 I 8.06 3.73 1.89 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 1.69 1.03 0.92 0.00 0.00 15 L 8.18 4.04 0.00 1.82 1.89 0.92 0.97 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 16 G 8.35 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 17 N 8.10 4.40 0.00 2.96 2.88 0.00 0.00 7.05 7.29 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 18 E 8.34 3.98 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 2.57 2.52 0.00 19 L 8.13 4.01 0.00 1.80 1.69 0.90 0.83 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 20 I 7.56 3.64 1.94 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 1.55 0.78 0.90 0.00 0.00 21 A 7.72 3.27 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 I 7.99 3.62 1.99 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 1.57 1.01 0.89 0.00 0.00 23 N 7.81 4.39 0.00 2.72 2.83 0.00 0.00 6.76 8.04 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 24 Q 8.14 3.84 0.00 2.03 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.81 0.00 0.00 0.00 0.00 0.00 2.49 2.24 0.00 25 Y 8.15 4.63 0.00 3.08 3.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 F 8.44 3.87 0.00 3.35 3.08 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 0.00 0.00 0.00 27 L 8.30 3.97 0.00 1.80 1.59 0.88 1.33 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 28 H 8.32 3.81 0.00 3.45 2.93 0.00 5.71 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 S 8.71 4.35 0.00 3.98 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 R 7.87 3.90 0.00 1.90 1.89 0.00 3.03 0.00 0.00 2.74 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.69 0.00 31 M 7.88 3.50 0.00 0.92 1.63 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.17 0.00 32 W 7.72 4.53 0.00 3.62 3.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 N 8.36 4.36 0.00 2.91 2.86 0.00 0.00 6.69 7.63 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 34 D 8.09 4.32 0.00 2.58 2.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 W 7.89 4.91 0.00 3.74 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 36 G 8.58 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 0.00 0.00 0.00 37 L 8.07 4.91 0.00 1.97 1.62 1.25 0.78 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 38 K 8.30 4.10 0.00 1.89 2.00 0.00 1.91 0.00 0.00 1.59 0.00 0.00 2.94 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.49 1.48 7.81 39 R 7.88 3.86 0.00 2.02 1.91 0.00 3.13 0.00 0.00 2.88 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.64 0.00 40 L 7.77 3.77 0.00 1.25 0.13 0.34 0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 41 G 8.18 3.83 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 0.00 0.00 0.00 42 A 8.40 3.99 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 43 H 8.27 3.89 0.00 3.23 3.39 0.00 5.78 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 E 8.57 4.08 0.00 2.55 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 0.00 2.77 2.69 0.00 45 Y 7.96 3.94 0.00 3.01 3.02 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 46 H 8.10 3.99 0.00 3.30 3.22 0.00 5.87 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 E 7.99 3.85 0.00 1.96 1.71 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 2.27 2.15 0.00 48 S 8.26 4.28 0.00 4.07 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 49 I 7.65 3.59 1.80 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.30 0.83 0.00 0.00 50 D 8.13 4.32 0.00 2.85 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 51 E 8.17 4.18 0.00 2.19 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 2.78 2.61 0.00 52 M 8.24 4.00 0.00 2.02 2.27 0.00 0.00 0.00 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.89 2.58 0.00 53 K 7.97 4.01 0.00 1.86 1.79 0.00 1.61 0.00 0.00 1.61 0.00 0.00 2.94 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.42 1.59 7.81 54 H 8.19 4.27 0.00 3.39 3.34 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 55 A 8.27 3.98 1.38 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 0.00 0.00 0.00 56 D 8.13 4.29 0.00 2.81 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 57 K 7.96 4.04 0.00 1.89 1.86 0.00 1.74 0.00 0.00 1.65 0.00 0.00 2.96 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.47 1.49 7.81 58 L 8.21 4.00 0.00 1.87 1.75 0.97 1.08 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 59 I 8.12 3.73 2.03 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 1.53 1.15 0.92 0.00 0.00 60 E 8.32 4.00 0.00 2.17 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 2.34 2.43 0.00 61 R 8.19 4.00 0.00 2.08 2.15 0.00 3.35 0.00 0.00 3.25 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.79 0.00 62 I 8.17 3.72 2.04 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 1.54 0.65 0.93 0.00 0.00 63 L 7.93 4.00 0.00 2.00 1.77 0.93 1.01 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 64 F 8.03 4.33 0.00 2.97 3.25 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 65 L 7.90 3.86 0.00 1.79 1.63 0.95 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 66 E 7.73 3.67 0.00 2.06 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 2.18 2.18 0.00 67 G 7.97 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 68 L 8.03 4.58 0.00 1.59 1.60 0.91 0.98 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 69 P 0.00 4.36 0.00 2.04 1.99 0.00 3.64 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.08 0.00 70 N 8.87 4.73 0.00 2.66 2.84 0.00 0.00 7.07 7.16 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 71 L 8.34 4.65 0.00 1.61 1.61 0.92 0.93 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 72 Q 8.51 4.19 0.00 1.96 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.25 6.82 0.00 0.00 0.00 0.00 0.00 2.29 2.34 0.00 73 D 8.16 4.53 0.00 2.69 2.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 L 8.30 4.51 0.00 1.51 1.52 0.88 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 75 G 8.35 3.79 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 0.00 0.00 0.00 0.00 0.00 0.00 76 K 8.34 4.10 0.00 1.70 1.74 0.00 1.66 0.00 0.00 1.70 0.00 0.00 3.06 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.42 1.52 7.81 77 L 8.39 4.09 0.00 1.63 1.54 0.91 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 78 L 8.95 4.48 0.00 1.74 1.68 0.96 0.68 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 79 I 8.12 4.36 1.87 0.00 0.00 0.74 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 0.80 0.89 0.00 0.00 80 G 8.78 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 81 E 9.31 4.65 0.00 2.08 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.25 0.00 82 N 7.66 5.09 0.00 2.88 2.84 0.00 0.00 6.27 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 83 T 8.55 4.38 4.49 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 84 Q 8.24 3.98 0.00 2.11 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.92 0.00 0.00 0.00 0.00 0.00 2.42 2.44 0.00 85 E 8.57 3.99 0.00 2.31 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 2.35 2.52 0.00 86 M 8.47 3.91 0.00 1.34 2.23 0.00 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.13 0.00 87 L 8.32 4.17 0.00 1.90 1.74 0.86 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 88 Q 8.39 3.98 0.00 2.24 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.79 0.00 0.00 0.00 0.00 0.00 2.37 2.47 0.00 89 C 8.64 4.18 0.00 3.36 3.25 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 90 D 8.37 4.67 0.00 3.08 2.79 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 0.00 0.00 0.00 91 L 8.15 3.96 0.00 1.84 1.87 0.92 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 92 N 8.79 4.33 0.00 2.93 2.89 0.00 0.00 6.73 6.81 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 93 L 8.22 4.06 0.00 1.93 1.96 0.92 0.83 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 94 E 8.46 4.11 0.00 2.22 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.69 2.53 0.00 95 L 8.31 4.02 0.00 1.83 1.74 0.94 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 96 K 8.08 4.01 0.00 1.91 1.97 0.00 1.64 0.00 0.00 1.66 0.00 0.00 3.06 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.45 1.51 7.81 97 A 7.96 4.03 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 98 T 8.13 3.86 4.51 0.00 0.00 0.00 0.00 0.00 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 99 K 7.94 3.93 0.00 1.82 1.96 0.00 1.65 0.00 0.00 1.66 0.00 0.00 2.94 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.64 1.49 7.81 100 D 8.15 4.42 0.00 2.92 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 0.00 101 L 8.15 4.04 0.00 1.92 1.72 0.92 0.99 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 0.00 102 R 8.28 3.97 0.00 1.97 1.99 0.00 3.13 0.00 0.00 3.18 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.98 0.00 103 E 8.16 4.02 0.00 2.16 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 2.34 2.59 0.00 104 A 7.88 3.64 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 0.00 105 I 7.68 3.66 2.00 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 1.42 0.57 0.93 0.00 0.00 106 V 7.79 3.57 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.96 0.00 0.00 107 H 8.02 4.10 0.00 3.30 3.32 0.00 5.85 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 0.00 108 C 8.14 3.92 0.00 3.11 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 0.00 109 E 8.18 3.87 0.00 2.19 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 0.00 2.37 2.46 0.00 110 Q 7.72 3.98 0.00 2.07 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.76 0.00 0.00 0.00 0.00 0.00 2.30 2.32 0.00 111 V 7.55 3.84 1.95 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 0.67 0.00 0.00 0.88 0.00 0.00 112 H 7.56 3.07 0.00 3.15 3.20 0.00 5.67 0.00 0.00 0.00 0.00 6.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 D 7.38 4.49 0.00 2.62 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 0.00 114 Y 7.30 4.25 0.00 3.10 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.85 3.66 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 1.01 0.00 0.00 116 S 8.25 4.18 0.00 3.99 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 0.00 117 R 7.81 3.91 0.00 1.91 2.13 0.00 3.24 0.00 0.00 3.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.67 0.00 118 D 8.16 4.30 0.00 3.03 2.79 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 0.00 0.00 0.00 119 L 7.99 3.95 0.00 1.93 1.91 0.95 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 120 L 8.00 4.04 0.00 1.89 1.70 0.92 0.55 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 0.00 121 K 8.39 3.93 0.00 1.95 2.02 0.00 1.67 0.00 0.00 1.66 0.00 0.00 2.95 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.45 1.65 7.81 122 D 8.26 4.38 0.00 2.92 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 0.00 123 I 7.80 3.56 1.98 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 1.12 0.61 0.80 0.00 0.00 124 L 7.89 3.93 0.00 1.88 1.87 0.94 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 125 E 8.36 4.01 0.00 2.09 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 2.33 2.34 0.00 126 S 8.18 4.13 0.00 4.02 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 0.00 127 E 8.51 4.11 0.00 2.18 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 2.65 2.53 0.00 128 E 8.90 4.02 0.00 2.19 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 2.36 2.51 0.00 129 E 8.33 4.08 0.00 2.21 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.56 0.00 130 H 8.48 4.45 0.00 3.26 3.51 0.00 5.61 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 131 I 8.09 3.67 2.05 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 0.65 0.92 0.00 0.00 132 D 8.51 4.34 0.00 2.88 2.97 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 0.00 133 Y 8.15 4.10 0.00 3.17 3.20 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 0.00 134 L 8.24 3.65 0.00 1.92 1.63 1.02 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 135 E 8.37 3.92 0.00 1.96 1.96 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 2.30 2.61 0.00 136 T 7.76 3.82 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 1.19 0.00 0.00 137 Q 7.92 3.80 0.00 1.79 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.81 0.00 0.00 0.00 0.00 0.00 1.16 1.93 0.00 138 L 7.79 3.85 0.00 1.88 1.60 0.83 0.74 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 0.00 139 G 8.26 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 0.00 0.00 0.00 140 L 8.23 4.03 0.00 1.75 1.88 1.04 0.87 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 0.00 141 I 7.40 3.53 1.75 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 1.13 -0.25 0.80 0.00 0.00 142 Q 7.47 3.97 0.00 2.11 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 7.00 0.00 0.00 0.00 0.00 0.00 2.48 2.50 0.00 143 K 7.77 4.16 0.00 1.76 1.86 0.00 1.65 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.46 1.67 7.81 144 V 8.12 4.23 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 0.83 0.00 0.00 1.11 0.00 0.00 145 G 7.63 4.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 146 L 8.42 3.98 0.00 1.77 1.69 0.96 0.94 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 0.00 147 E 8.13 3.99 0.00 2.06 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 2.40 2.40 0.00 148 N 8.11 4.32 0.00 3.09 2.89 0.00 0.00 6.73 7.48 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 0.00 149 Y 7.99 4.04 0.00 2.94 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 0.00 150 L 8.18 4.06 0.00 1.88 1.72 0.94 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 151 Q 8.10 3.91 0.00 2.17 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.82 0.00 0.00 0.00 0.00 0.00 2.29 2.36 0.00 152 S 8.29 4.24 0.00 3.76 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 0.00 153 H 7.88 4.66 0.00 3.00 3.04 0.00 5.81 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 154 M 7.96 4.23 0.00 1.95 1.98 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.72 2.44 0.00 155 H 7.60 5.07 0.00 3.08 3.15 0.00 5.72 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 0.00 156 E 8.76 4.13 0.00 1.95 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 2.31 2.31 0.00