NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4303 8.3049 120.3508 55.4607 34.3408 175.7143 2 L 4.0319 7.5481 119.1041 53.6566 42.6727 175.6842 3 K 4.1608 9.3006 122.1214 57.0847 34.0277 175.5600 4 Q 4.8587 8.8839 124.3144 55.0434 29.8693 175.3691 5 V 4.7598 8.9095 124.1334 61.0961 35.4811 173.7357 6 E 4.9419 8.9298 126.2170 54.6544 32.0239 174.9101 7 I 4.9148 7.9343 124.6749 59.4523 40.6545 174.4022 8 F 5.3797 9.0725 125.8702 55.9801 41.7578 174.7863 9 T 5.3857 8.6740 111.6410 60.8698 72.1725 172.4697 10 D 4.8433 9.2799 121.1216 53.2972 45.1105 174.1669 11 G 4.7074 8.7205 110.4332 44.8461 0.0000 172.0153 12 S 4.8797 8.9255 114.1404 57.1232 66.4032 172.6466 13 C 5.1525 8.3961 125.6757 58.2522 33.9225 173.8255 14 L 4.3807 9.0863 126.1684 56.3652 42.6298 177.3635 15 G 3.9181 7.2078 110.7344 43.8167 0.0000 174.8318 16 N 4.9874 8.1009 118.2545 53.1633 39.3509 171.6305 17 P 4.6122 0.0000 0.0000 61.8413 33.6359 175.6375 18 G 3.9695 8.2466 106.0714 45.3644 0.0000 170.8749 19 P 4.9829 0.0000 0.0000 62.5113 32.7637 176.2477 20 G 4.5184 9.1873 109.2945 46.0746 0.0000 171.4207 21 G 4.7325 9.3544 106.5240 45.4417 0.0000 171.7080 22 Y 5.5094 8.4315 117.5873 55.0552 41.8973 174.8573 23 G 4.6936 9.4285 107.3632 44.8158 0.0000 171.3860 24 A 5.6068 9.3372 125.4393 50.6907 23.5980 174.8461 25 I 5.2948 9.0108 119.2755 59.8068 42.1111 174.2423 26 L 5.3159 9.1187 126.1679 52.9573 44.7228 175.3698 27 R 4.8708 9.5384 123.9802 54.7478 33.0368 173.3804 28 Y 5.0018 8.4884 127.3834 56.2534 41.8172 175.6250 29 R 3.4046 9.2263 126.8006 57.1017 27.8363 177.3480 30 G 4.1318 8.1934 105.3627 45.7504 0.0000 175.7391 31 R 4.2514 7.8359 118.3788 54.8570 29.0786 178.8934 32 E 5.5759 9.1673 124.4657 56.4561 30.5315 173.9026 33 K 4.6237 8.7694 124.3316 54.9041 35.6833 175.1946 34 T 5.0084 8.0140 119.3349 62.1537 71.5854 173.7236 35 F 5.1584 8.7118 121.1722 56.5079 43.8126 173.7931 36 S 5.1180 8.9608 113.6683 58.7584 65.3496 174.3265 37 A 4.3015 7.0656 121.1376 50.8845 22.4944 175.2015 38 G 4.3443 8.2400 107.1534 44.4954 0.0000 171.3892 39 Y 5.2617 9.2221 121.3079 55.9599 40.7517 176.7647 40 T 3.8973 9.1425 114.7773 64.6634 69.9429 174.0529 41 R 4.5194 7.6484 121.3981 55.3325 32.9175 174.0140 42 T 3.8307 8.7683 121.5538 61.9760 71.9266 171.7004 43 T 4.8111 7.7219 109.3141 59.0655 72.2132 174.1862 44 N 4.2545 8.7027 120.2650 56.9787 39.0818 176.4812 45 N 4.4864 8.0239 118.6723 55.9834 38.5146 177.4307 46 R 3.9552 7.7602 118.6604 59.3387 30.0969 179.0637 47 M 4.1145 7.8869 118.5010 58.3511 31.6928 178.6151 48 E 4.1237 8.7780 119.1995 58.9113 29.5195 179.3670 49 L 3.9542 7.7865 118.9947 57.7354 41.7893 178.7336 50 M 3.7455 8.0687 118.0016 58.4174 32.1395 177.9112 51 A 3.5687 7.9832 120.5499 55.1375 18.5510 179.4371 52 A 3.8960 7.4021 119.0392 55.3135 18.3825 179.6770 53 I 3.5191 7.7282 118.3161 64.6521 37.0039 178.5664 54 V 3.2966 7.4259 117.5654 65.9585 31.5878 177.7170 55 A 3.6017 7.5106 119.7786 55.0930 18.4064 179.4084 56 L 3.8153 7.8446 117.2875 58.2072 41.5119 179.8574 57 E 4.0198 8.2679 117.2486 58.8562 29.4570 178.7685 58 A 4.1076 7.4346 119.2670 53.0218 18.6922 177.5575 59 L 4.2197 7.0872 118.1065 54.2958 42.2480 177.3682 60 K 4.5822 7.9220 123.0775 56.0427 33.1773 175.4255 61 E 4.6442 7.7163 115.7091 56.3341 32.1048 174.8930 62 H 4.5259 8.7398 121.9491 56.9796 29.2787 174.3787 63 C 4.8990 8.7533 118.6061 58.1947 33.4743 172.3211 64 E 4.6875 9.1760 122.5132 55.1432 30.6128 174.7757 65 V 4.5852 8.6188 127.7980 61.0149 34.4688 174.1176 66 I 4.3483 8.2587 128.5339 59.3110 39.4275 173.8453 67 L 4.3563 7.9928 133.2868 53.5442 43.3048 174.9718 68 S 5.4981 8.7347 122.8515 56.8405 63.8518 172.7937 69 T 5.2819 8.5242 120.4774 60.8521 70.9219 173.2611 70 D 4.9900 8.8290 124.5872 53.1230 40.3467 176.5152 71 S 4.5941 8.0815 117.0474 57.9277 63.0747 174.4564 72 Q 3.9783 8.8127 130.6672 58.9944 28.9472 177.2635 73 Y 4.3103 8.0686 120.5401 60.8239 38.9749 177.7785 74 V 3.9184 8.2510 119.3516 65.8378 31.6156 177.9099 75 R 2.0000 7.5510 118.0789 58.9087 29.8294 178.5913 76 Q 3.3109 7.5492 117.8512 58.3224 28.4366 178.9310 77 G 2.5087 7.4511 106.5671 47.6025 0.0000 175.9137 78 I 3.6468 7.6080 122.4394 62.7978 37.0519 177.1545 79 T 4.3165 6.7393 107.0087 61.1354 68.9726 174.4313 80 Q 3.9819 7.1967 118.4423 55.7272 33.4678 176.3198 81 W 4.0744 6.2972 114.8749 55.9198 30.7186 177.3031 82 I 3.2430 6.8596 119.4087 64.4299 37.3128 176.6697 83 H 4.0323 7.9245 117.9968 59.5896 29.4509 176.1562 84 N 3.9923 7.9516 117.1029 56.5280 37.8312 177.0740 85 W 4.4625 7.9422 120.1232 59.9319 28.9913 178.8102 86 K 3.4406 7.2559 117.8153 59.1499 31.3953 179.0677 87 A 4.2185 7.3680 116.6072 53.3177 18.0235 177.6775 88 R 4.4442 7.2037 115.4862 55.3740 31.7749 176.1317 89 G 3.9993 8.7284 105.5666 46.3491 0.0000 174.1749 90 W 3.4183 9.1124 115.1490 57.2391 26.5480 174.3815 91 K 4.8770 7.5138 115.8329 54.5307 36.2312 178.9927 92 T 4.2276 9.0047 112.2640 61.5657 69.9076 173.7194 93 A 4.1355 8.7192 123.1938 55.8335 18.6000 179.1030 94 D 4.6637 7.8633 113.2058 53.8402 40.6435 176.2788 95 K 3.8342 8.1494 113.5994 58.7115 29.2422 175.2182 96 K 4.7030 8.3207 117.6851 53.5701 36.6321 175.1241 97 P 4.4149 0.0000 0.0000 62.8043 31.7788 176.9711 98 V 3.6439 7.8652 115.0657 60.1827 32.3382 175.6442 99 K 4.0925 8.2040 124.7312 57.7284 32.5766 176.2752 100 N 4.6038 9.0688 123.3489 54.6306 35.8638 176.7473 101 V 3.6509 7.5747 121.2406 65.0176 30.9830 177.0089 102 D 4.2095 8.0130 119.1198 56.4368 38.9856 178.6680 103 L 3.9395 7.7550 120.1528 56.7704 41.7311 179.2105 104 W 4.3197 8.6262 119.2723 60.0568 29.0519 178.5433 105 Q 3.7788 8.5108 118.2017 58.9122 28.0136 179.2134 106 R 3.8948 7.7018 119.2162 58.9849 30.1067 178.8650 107 L 3.9739 8.2465 120.3689 58.2857 42.2407 178.2986 108 D 4.6032 8.8435 118.2282 57.6247 41.1583 178.2453 109 A 4.0686 8.3980 120.9478 55.1364 18.2400 179.2235 110 A 4.0227 7.9862 117.2612 54.1649 18.9023 179.1752 111 L 4.3506 8.0750 118.0840 57.1631 41.8741 179.0691 112 G 3.8299 7.8729 103.5378 46.8539 0.0000 174.5381 113 Q 4.1148 7.3276 116.7199 58.1258 29.0170 174.7627 114 H 4.8679 7.7725 112.9948 54.5648 33.6748 173.1712 115 Q 4.3926 8.8795 120.9567 55.0483 28.8615 174.4100 116 I 4.3080 7.9567 125.9207 60.5024 38.8231 175.9193 117 K 4.3689 8.5407 124.6033 54.5393 35.6601 175.5018 118 W 4.3550 8.6933 125.6915 55.9566 30.2064 176.1512 119 E 4.3138 8.6610 125.8179 54.1009 30.7350 174.1311 120 W 5.0924 8.3848 126.6457 56.1770 29.9044 176.6887 121 V 4.3709 8.3776 119.6196 59.8611 33.8160 175.8714 122 K 4.3135 8.2859 119.9237 56.1545 34.2156 177.3363 123 G 4.1408 8.8111 109.2472 45.6185 0.0000 172.4122 124 H 4.4451 8.4819 116.0411 58.2703 29.1346 176.2232 125 A 4.0253 7.9890 120.2046 54.0781 18.3366 177.4196 126 G 3.8457 9.6446 109.5424 46.0677 0.0000 174.1434 127 H 4.7843 8.0025 117.3227 52.1200 30.5626 172.0921 128 P 4.1488 0.0000 0.0000 65.7130 31.3183 177.4122 129 E 3.6815 7.8093 116.1246 59.6384 29.2874 179.2052 130 N 4.4310 8.0357 115.7388 56.1710 38.5085 176.7673 131 E 3.9003 8.6841 121.1516 59.4647 29.7186 178.9380 132 R 3.8792 8.2865 118.9125 59.6971 30.1286 178.2471 133 C 4.2251 8.2996 116.4052 62.7455 28.0157 175.9782 134 A 4.8052 7.9736 123.8247 54.4986 17.7805 179.5868 135 E 3.8623 7.9406 117.1071 59.7216 29.6636 179.3255 136 L 3.9412 7.9244 118.7078 58.0120 41.6873 179.6723 137 A 4.0269 8.0962 120.4928 55.1954 18.2371 179.9812 138 R 3.9078 8.3466 116.6371 59.2297 29.9509 179.0406 139 A 3.9425 8.1848 119.9045 54.9548 18.6343 179.3292 140 A 3.9768 8.0993 119.0717 55.3296 18.2888 179.7426 141 A 4.1177 7.7895 117.9543 55.4671 18.5391 179.1151 142 M 4.2808 8.1232 115.0577 56.2981 33.4813 176.1376 143 N 4.9822 7.8398 117.1752 51.2309 39.1576 172.4973 144 P 4.3546 0.0000 0.0000 63.2150 32.3638 176.9454 145 T 4.4555 8.2700 110.0681 60.8641 70.5007 173.2825 146 L 4.8022 7.3364 121.1920 52.6443 45.3750 174.5587 147 E 5.0004 8.4644 116.9486 54.6497 32.1228 176.0945 148 D 4.6480 8.4749 120.6572 53.1006 40.0689 176.5564 149 T 3.9036 8.6099 122.8656 66.2302 68.6733 175.5540 150 G 3.9159 8.0556 106.9256 45.4701 0.0000 172.5262 151 Y 4.3587 7.7765 121.6190 56.8061 39.4502 174.5103 152 Q 4.1446 7.5890 125.7485 53.9501 30.3724 175.2632 153 V 3.7524 7.8991 122.9972 62.3850 31.9215 174.5622 154 E 5.5075 8.0775 135.0000 56.8389 30.3268 176.6840 155 V 4.0753 7.5152 121.0732 61.7985 31.6599 174.9064 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 4.43 0.00 2.00 2.12 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 2.48 2.52 0.00 2 L 7.55 4.03 0.00 1.74 1.59 0.92 0.58 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 3 K 9.30 4.16 0.00 1.59 1.53 0.00 1.37 0.00 0.00 1.96 0.00 0.00 2.16 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.38 1.48 7.81 4 Q 8.88 4.86 0.00 2.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.59 6.71 0.00 0.00 0.00 0.00 0.00 2.42 2.31 0.00 5 V 8.91 4.76 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 1.02 0.00 0.00 0.91 0.00 0.00 6 E 8.93 4.94 0.00 2.05 1.53 0.00 0.00 0.00 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 2.30 0.00 7 I 7.93 4.91 1.62 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.72 0.81 0.00 0.00 8 F 9.07 5.38 0.00 3.03 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 9 T 8.67 5.39 4.33 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 1.24 0.00 0.00 10 D 9.28 4.84 0.00 2.90 2.58 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 11 G 8.72 4.71 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 12 S 8.93 4.88 0.00 3.92 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 13 C 8.40 5.15 0.00 2.98 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 14 L 9.09 4.38 0.00 1.67 1.70 0.92 1.13 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 15 G 7.21 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 16 N 8.10 4.99 0.00 2.72 2.73 0.00 0.00 6.85 7.69 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 17 P 0.00 4.61 0.00 1.96 1.84 0.00 3.94 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 2.02 2.14 0.00 18 G 8.25 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 19 P 0.00 4.98 0.00 2.08 1.98 0.00 3.89 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.10 0.00 20 G 9.19 4.52 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 0.00 21 G 9.35 4.73 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 22 Y 8.43 5.51 0.00 3.08 3.19 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 23 G 9.43 4.69 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 24 A 9.34 5.61 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 25 I 9.01 5.29 2.12 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 1.31 1.12 1.05 0.00 0.00 26 L 9.12 5.32 0.00 1.82 1.67 1.09 0.70 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 27 R 9.54 4.87 0.00 2.06 1.91 0.00 3.09 0.00 0.00 3.13 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.63 0.00 28 Y 8.49 5.00 0.00 3.01 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 29 R 9.23 3.40 0.00 1.30 1.61 0.00 2.85 0.00 0.00 2.99 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.50 0.00 30 G 8.19 4.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.84 4.25 0.00 1.91 1.24 0.00 3.34 0.00 0.00 3.19 7.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.82 0.00 32 E 9.17 5.58 0.00 2.04 2.20 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 2.10 2.14 0.00 33 K 8.77 4.62 0.00 1.68 1.21 0.00 1.80 0.00 0.00 1.87 0.00 0.00 3.00 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.35 1.44 7.81 34 T 8.01 5.01 4.11 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 1.20 0.00 0.00 35 F 8.71 5.16 0.00 3.13 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 S 8.96 5.12 0.00 3.78 3.78 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 37 A 7.07 4.30 0.97 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 38 G 8.24 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 39 Y 9.22 5.26 0.00 2.86 2.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 T 9.14 3.90 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 1.24 0.00 0.00 41 R 7.65 4.52 0.00 1.78 1.83 0.00 3.32 0.00 0.00 3.18 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.61 0.00 42 T 8.77 3.83 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 1.17 0.00 0.00 43 T 7.72 4.81 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 1.01 0.00 0.00 44 N 8.70 4.25 0.00 2.85 2.83 0.00 0.00 6.88 6.71 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 45 N 8.02 4.49 0.00 2.55 2.38 0.00 0.00 7.63 7.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 R 7.76 3.96 0.00 1.86 1.88 0.00 3.47 0.00 0.00 3.24 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.68 0.00 47 M 7.89 4.11 0.00 2.37 2.29 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.91 2.87 0.00 48 E 8.78 4.12 0.00 2.23 2.13 0.00 0.00 0.00 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 2.61 0.00 49 L 7.79 3.95 0.00 1.68 1.41 0.47 -0.86 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 50 M 8.07 3.75 0.00 1.99 1.99 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.55 0.00 51 A 7.98 3.57 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 52 A 7.40 3.90 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 53 I 7.73 3.52 1.86 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 1.35 0.70 0.80 0.00 0.00 54 V 7.43 3.30 1.72 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 0.47 0.00 0.00 0.43 0.00 0.00 55 A 7.51 3.60 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 56 L 7.84 3.82 0.00 1.76 1.71 0.90 0.64 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 57 E 8.27 4.02 0.00 1.80 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 0.00 2.30 2.45 0.00 58 A 7.43 4.11 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 59 L 7.09 4.22 0.00 1.81 1.58 0.56 0.65 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 60 K 7.92 4.58 0.00 1.80 1.84 0.00 1.78 0.00 0.00 1.63 0.00 0.00 2.95 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.26 1.30 7.81 61 E 7.72 4.64 0.00 1.82 1.73 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 2.02 2.15 0.00 62 H 8.74 4.53 0.00 3.07 3.21 0.00 5.73 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 C 8.75 4.90 0.00 2.69 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 64 E 9.18 4.69 0.00 1.99 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.20 0.00 65 V 8.62 4.59 1.82 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 0.69 0.00 0.00 0.71 0.00 0.00 66 I 8.26 4.35 1.73 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.94 0.80 0.00 0.00 67 L 7.99 4.36 0.00 1.06 0.51 0.33 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 68 S 8.73 5.50 0.00 3.83 3.63 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 0.00 0.00 0.00 0.00 69 T 8.52 5.28 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 1.69 0.00 0.00 70 D 8.83 4.99 0.00 2.89 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 71 S 8.08 4.59 0.00 4.17 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.81 3.98 0.00 2.18 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.70 0.00 0.00 0.00 0.00 0.00 2.39 2.36 0.00 73 Y 8.07 4.31 0.00 3.20 3.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 V 8.25 3.92 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 1.16 0.00 0.00 1.02 0.00 0.00 75 R 7.55 2.00 0.00 1.08 1.47 0.00 2.46 0.00 0.00 2.66 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.60 0.50 0.00 76 Q 7.55 3.31 0.00 1.88 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.59 0.00 0.00 0.00 0.00 0.00 2.01 2.31 0.00 77 G 7.45 2.51 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 0.00 0.00 0.00 0.00 78 I 7.61 3.65 1.57 0.00 0.00 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 1.75 0.22 0.78 0.00 0.00 79 T 6.74 4.32 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 0.96 0.00 0.00 80 Q 7.20 3.98 0.00 0.93 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.50 6.78 0.00 0.00 0.00 0.00 0.00 1.86 1.68 0.00 81 W 6.30 4.07 0.00 1.78 1.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 I 6.86 3.24 1.75 0.00 0.00 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 1.53 1.24 0.80 0.00 0.00 83 H 7.92 4.03 0.00 3.14 3.14 0.00 5.95 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 84 N 7.95 3.99 0.00 2.65 2.78 0.00 0.00 6.92 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 85 W 7.94 4.46 0.00 2.80 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 0.00 0.00 0.00 0.00 86 K 7.26 3.44 0.00 1.70 1.73 0.00 1.76 0.00 0.00 1.67 0.00 0.00 3.45 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.10 1.38 7.81 87 A 7.37 4.22 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 88 R 7.20 4.44 0.00 1.83 1.87 0.00 3.37 0.00 0.00 3.13 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.66 0.00 89 G 8.73 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 W 9.11 3.42 0.00 3.48 3.26 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 91 K 7.51 4.88 0.00 1.88 1.65 0.00 1.72 0.00 0.00 1.77 0.00 0.00 3.05 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.39 1.49 7.81 92 T 9.00 4.23 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 1.18 0.00 0.00 93 A 8.72 4.14 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 94 D 7.86 4.66 0.00 2.76 2.75 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 95 K 8.15 3.83 0.00 1.92 1.90 0.00 1.71 0.00 0.00 1.70 0.00 0.00 3.00 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.34 1.38 7.81 96 K 8.32 4.70 0.00 1.70 1.60 0.00 1.69 0.00 0.00 1.62 0.00 0.00 2.94 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.32 1.69 7.81 97 P 0.00 4.41 0.00 1.98 1.93 0.00 3.63 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 1.99 2.08 0.00 98 V 7.87 3.64 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 0.00 0.00 -0.10 0.00 0.00 0.46 0.00 0.00 99 K 8.20 4.09 0.00 1.72 1.86 0.00 2.02 0.00 0.00 1.77 0.00 0.00 3.01 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.50 1.49 7.81 100 N 9.07 4.60 0.00 3.46 3.05 0.00 0.00 6.86 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 0.00 101 V 7.57 3.65 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 0.77 0.00 0.00 0.59 0.00 0.00 102 D 8.01 4.21 0.00 2.83 2.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 L 7.75 3.94 0.00 1.64 1.55 0.84 0.86 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 0.00 104 W 8.63 4.32 0.00 3.52 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 0.00 105 Q 8.51 3.78 0.00 1.81 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.81 0.00 0.00 0.00 0.00 0.00 1.31 1.16 0.00 106 R 7.70 3.89 0.00 1.99 1.94 0.00 3.08 0.00 0.00 3.04 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.72 0.00 107 L 8.25 3.97 0.00 1.76 2.03 1.03 1.65 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 0.00 108 D 8.84 4.60 0.00 3.31 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 0.00 109 A 8.40 4.07 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 0.00 110 A 7.99 4.02 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 0.00 111 L 8.07 4.35 0.00 2.03 1.84 1.35 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 112 G 7.87 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 0.00 113 Q 7.33 4.11 0.00 2.16 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.61 0.00 0.00 0.00 0.00 0.00 2.36 2.42 0.00 114 H 7.77 4.87 0.00 2.94 3.44 0.00 5.63 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 Q 8.88 4.39 0.00 2.13 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.01 6.97 0.00 0.00 0.00 0.00 0.00 2.25 2.33 0.00 116 I 7.96 4.31 1.72 0.00 0.00 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.78 -0.06 0.00 0.00 117 K 8.54 4.37 0.00 1.57 1.57 0.00 1.58 0.00 0.00 1.60 0.00 0.00 2.88 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.29 1.31 7.81 118 W 8.69 4.35 0.00 2.47 1.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 119 E 8.66 4.31 0.00 1.88 1.67 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 2.18 2.23 0.00 120 W 8.38 5.09 0.00 3.21 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 0.00 121 V 8.38 4.37 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 0.61 0.00 0.00 1.05 0.00 0.00 122 K 8.29 4.31 0.00 1.74 1.74 0.00 1.84 0.00 0.00 1.74 0.00 0.00 3.06 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.40 1.49 7.81 123 G 8.81 4.14 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 0.00 0.00 0.00 124 H 8.48 4.45 0.00 3.36 3.37 0.00 5.66 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 0.00 125 A 7.99 4.03 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 126 G 9.64 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 127 H 8.00 4.78 0.00 3.39 3.40 0.00 5.66 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 P 0.00 4.15 0.00 2.04 2.07 0.00 3.57 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.18 0.00 129 E 7.81 3.68 0.00 1.16 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 1.47 1.94 0.00 130 N 8.04 4.43 0.00 3.06 3.01 0.00 0.00 6.66 7.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 131 E 8.68 3.90 0.00 2.15 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 0.00 2.31 2.37 0.00 132 R 8.29 3.88 0.00 1.98 2.05 0.00 3.12 0.00 0.00 3.13 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.65 0.00 133 C 8.30 4.23 0.00 3.29 3.21 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 0.00 134 A 7.97 4.81 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 0.00 135 E 7.94 3.86 0.00 2.08 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 2.31 2.60 0.00 136 L 7.92 3.94 0.00 1.90 1.74 0.95 0.84 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 0.00 137 A 8.10 4.03 1.52 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 0.00 138 R 8.35 3.91 0.00 2.02 1.99 0.00 3.15 0.00 0.00 3.19 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.66 0.00 139 A 8.18 3.94 1.31 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 0.00 0.00 0.00 140 A 8.10 3.98 1.31 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 0.00 0.00 0.00 141 A 7.79 4.12 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 0.00 142 M 8.12 4.28 0.00 1.98 2.11 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.85 0.00 143 N 7.84 4.98 0.00 2.59 2.62 0.00 0.00 7.15 6.96 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 0.00 144 P 0.00 4.35 0.00 2.24 2.03 0.00 3.73 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.94 0.00 145 T 8.27 4.46 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 1.18 0.00 0.00 146 L 7.34 4.80 0.00 0.90 1.43 0.70 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 147 E 8.46 5.00 0.00 2.12 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 2.24 2.34 0.00 148 D 8.47 4.65 0.00 2.63 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 149 T 8.61 3.90 4.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 150 G 8.06 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 0.00 151 Y 7.78 4.36 0.00 3.09 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 0.00 152 Q 7.59 4.14 0.00 1.77 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.73 0.00 0.00 0.00 0.00 0.00 2.13 2.14 0.00 153 V 7.90 3.75 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 0.81 0.00 0.00 0.96 0.00 0.00 154 E 8.08 5.51 0.00 1.90 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 2.01 2.10 0.00 155 V 7.52 4.08 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 0.77 0.00 0.00 0.95 0.00 0.00