NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 K 4.1702 8.3031 121.7753 56.2989 34.0164 176.3597 3 G 3.5268 7.7679 106.5929 43.8811 0.0000 172.0222 4 D 4.3831 8.6394 120.9989 53.8255 43.7288 175.8318 5 K 3.9288 8.6258 127.3300 59.5008 32.3172 178.7483 6 K 4.0395 8.1081 119.0555 58.5678 32.1786 178.8804 7 V 3.6555 8.2035 119.0131 66.1989 31.4134 177.9113 8 I 3.7752 7.7708 119.5022 64.5273 36.8754 178.5163 9 Q 3.9550 8.1452 118.8449 59.1978 28.5069 178.3402 10 H 4.1262 8.4738 117.5403 58.9553 28.6842 177.8739 11 L 4.0173 8.4180 121.0716 57.9686 41.4941 179.3658 12 N 4.3290 8.5317 116.7280 55.9977 38.3753 177.4876 13 K 3.9607 7.9732 121.2727 59.4641 32.3385 179.0106 14 I 3.7029 7.9514 120.2416 64.1695 36.9775 177.9442 15 L 4.0373 8.3007 121.6993 58.3111 41.9498 179.1803 16 G 3.6832 8.5669 105.7661 48.0663 0.0000 175.2695 17 N 4.3535 8.1336 118.7308 56.1761 38.2383 177.4155 18 E 3.9986 8.3553 119.9849 59.3010 29.1456 179.4129 19 L 4.0445 8.1196 119.2337 57.5847 41.5906 179.5246 20 I 3.6355 7.6515 119.3976 64.3203 37.0393 178.1155 21 A 3.2164 7.7212 121.3791 55.0177 18.0981 179.3055 22 I 3.6144 7.7772 118.4609 65.0415 37.1809 178.3575 23 N 4.3808 7.7067 115.4880 56.2175 38.3080 177.4495 24 Q 3.8285 8.0805 121.0245 59.4948 29.1247 177.8928 25 Y 4.7295 8.0936 119.5519 60.5356 37.8712 178.4023 26 F 3.8014 8.4064 121.7276 61.0616 39.4988 176.9726 27 L 3.9933 8.2933 120.2091 58.6473 41.8498 178.7090 28 H 3.8627 8.3635 116.2015 58.5507 28.5313 177.7516 29 S 4.3352 8.3793 115.3763 61.7074 62.2647 176.5659 30 R 3.9523 7.9069 120.3497 58.9418 29.7252 179.0390 31 M 3.4461 7.8972 119.0988 57.8029 31.8274 178.6482 32 W 4.5430 7.8737 119.0859 59.9240 29.1986 178.2759 33 N 4.3665 8.3051 116.3388 56.3432 37.7838 176.6003 34 D 4.3525 7.8070 118.1181 57.4680 41.3561 178.2863 35 W 4.7898 7.9414 116.0230 57.3750 29.3019 177.2161 36 G 3.9796 8.4425 108.1067 45.9656 0.0000 174.2604 37 L 4.8019 7.9522 121.9591 53.2378 40.3136 177.6624 38 K 4.0611 8.3267 121.6343 59.0932 32.4230 179.0810 39 R 3.9234 8.0610 119.4364 59.0966 29.8998 178.4737 40 L 3.7677 7.7407 118.5739 57.4243 41.4677 179.2251 41 G 3.8826 8.2139 105.4756 48.0058 0.0000 175.4140 42 A 3.9672 8.0778 123.7315 54.8876 18.4065 178.9896 43 H 3.9077 8.2121 116.7422 59.5716 29.4755 177.0610 44 E 3.9611 8.6857 121.3711 59.2228 29.5292 177.7861 45 Y 4.0000 8.3955 120.1435 61.3345 38.7899 178.2095 46 H 4.1093 8.3352 116.7681 58.7515 28.8424 177.5871 47 E 3.8591 8.2106 120.5993 59.4200 29.2184 179.3859 48 S 4.3030 8.2521 113.1207 61.4452 62.4968 176.2768 49 I 3.5978 7.5538 122.4804 64.4803 36.8181 178.0363 50 D 4.3059 8.0823 119.6505 57.5545 40.6492 178.8751 51 E 4.3227 8.0842 119.8186 58.8796 29.4332 179.2155 52 M 4.0575 7.9965 118.9992 58.3159 32.1243 178.9273 53 K 3.9748 8.0692 118.6167 59.7123 32.1130 179.0280 54 H 4.2640 8.1399 116.3113 58.9770 28.5412 177.7047 55 A 3.9919 8.0459 122.4184 54.9452 18.1044 179.1157 56 D 4.2526 8.2327 116.5954 57.6074 41.3441 178.7285 57 K 3.9935 7.9219 118.4162 59.4349 31.9658 179.2620 58 L 4.0217 8.2695 119.5531 57.9330 41.5419 179.7776 59 I 3.7376 8.0154 119.8982 64.3133 37.0668 178.2790 60 E 3.9873 8.5304 119.8578 59.3822 29.2705 179.3340 61 R 3.9895 8.1406 118.6097 59.6782 30.1035 178.5572 62 I 3.7323 8.0001 119.6085 64.4514 37.2181 178.4874 63 L 3.9952 8.1460 119.8304 57.6952 41.2175 179.2522 64 F 4.3236 8.1195 119.7385 61.2490 39.6145 176.4820 65 L 3.8953 8.2178 116.1036 54.3383 41.1109 177.1499 66 E 3.9379 7.6626 117.1070 57.2476 27.4009 175.0112 67 G 3.8354 8.0293 108.2527 44.8187 0.0000 173.7912 68 L 4.5703 7.9951 118.8716 51.9871 42.5154 175.2453 69 P 4.4135 0.0000 0.0000 62.3843 31.8610 176.0561 70 N 4.7114 9.2411 121.7818 52.4608 38.7268 174.0608 71 L 4.6233 8.3449 124.1692 54.5347 42.4085 177.3374 72 Q 4.1753 8.4664 121.8137 57.3610 29.5090 175.5867 73 D 4.7283 8.0762 117.3213 52.4516 42.1529 175.3336 74 L 4.5301 8.2785 125.1552 52.8010 43.9408 176.4642 75 G 3.7794 8.3972 116.0933 44.7387 0.0000 171.3403 76 K 4.0869 8.3578 120.9796 55.4580 32.2194 176.9964 77 L 3.9278 8.4445 127.2388 54.9438 41.9186 177.1306 78 L 4.3405 8.6979 124.7670 53.5553 40.7530 175.6526 79 I 4.2915 8.0658 124.7454 59.3240 38.1559 176.6469 80 G 3.9893 8.7545 114.6579 45.1182 0.0000 172.5963 81 E 4.5925 8.8089 118.0976 56.7268 30.8296 176.1742 82 N 5.0349 7.6873 115.3716 50.4919 41.8200 175.1416 83 T 4.3980 8.5792 116.2438 67.1245 68.5583 176.2309 84 Q 3.9896 8.2535 120.7913 59.6403 29.0036 178.4442 85 E 4.0924 8.7728 119.2753 59.3463 29.5046 179.1053 86 M 3.9166 8.5436 119.3929 58.3115 31.9720 178.8238 87 L 4.1647 8.2234 119.0144 57.9075 41.7830 179.2106 88 Q 3.9994 8.1564 119.4882 59.4685 28.9608 178.1303 89 C 4.1530 8.7509 117.9420 63.1156 28.1914 175.9125 90 D 4.6696 8.4348 120.3744 57.2694 40.3132 178.6499 91 L 3.9697 8.1041 120.8309 58.2962 42.0210 178.6910 92 N 4.3253 8.4497 116.6718 56.2188 38.4112 177.0522 93 L 3.9956 8.1406 121.6199 58.4379 42.1234 179.0412 94 E 4.0903 8.5099 118.4158 59.2285 29.4449 179.3252 95 L 4.0428 8.3129 119.6418 57.5726 41.6593 179.4355 96 K 3.9848 7.9906 119.5889 59.4029 32.1625 178.8252 97 A 4.0381 8.2904 121.2254 55.1434 18.1283 179.6104 98 T 3.8312 7.7696 111.6227 64.9964 67.6559 176.3621 99 K 3.8431 7.8283 121.1330 60.0298 32.1192 178.4368 100 D 4.4441 8.2683 118.7210 57.0971 40.6266 178.9073 101 L 3.9754 7.8630 119.7305 57.8710 41.6123 179.4797 102 R 3.9413 8.2694 118.3220 59.5284 30.0478 179.0074 103 E 3.9465 8.1688 117.5341 59.3319 29.4019 179.2677 104 A 3.6439 8.2484 121.0024 54.9316 18.3033 179.8964 105 I 3.6282 7.7988 118.3924 64.4223 37.3718 178.3450 106 V 3.5594 7.8517 119.4147 66.6697 31.2308 177.5690 107 H 4.0712 7.9947 116.9337 59.4242 29.6804 176.8299 108 C 3.9688 8.1969 118.6550 62.7330 27.9051 175.7417 109 E 3.8781 8.3294 120.8987 59.4758 29.0653 178.7455 110 Q 3.9804 7.7331 117.7927 58.5290 29.0802 177.5644 111 V 3.9530 7.1927 110.8038 60.1836 32.0285 175.3439 112 H 2.7907 7.6243 114.1815 56.7305 27.0108 176.2810 113 D 4.5211 7.6669 119.1474 53.3180 38.1492 174.9576 114 Y 4.2744 7.3864 121.4824 60.4960 38.4339 177.8992 115 V 3.6320 7.8614 118.9329 66.1349 31.8102 178.0040 116 S 4.1634 8.3530 114.9673 61.5323 62.6216 176.6190 117 R 3.8848 8.1710 121.3282 59.5618 29.8831 177.9699 118 D 4.3248 8.4122 117.9875 57.2266 41.2008 177.6923 119 L 3.9297 8.0100 120.7713 58.5369 42.0313 179.1645 120 L 4.0363 8.0389 118.5990 57.5389 41.5308 179.3844 121 K 4.0514 8.3082 119.8219 59.5321 32.0254 178.6886 122 D 4.3965 8.1431 119.3286 57.1826 40.7138 178.7540 123 I 3.5206 7.7241 120.4070 64.2723 37.0377 178.1019 124 L 3.9932 8.3148 121.5919 58.2582 41.8338 178.7144 125 E 3.9407 8.3501 119.2435 59.2196 29.6420 178.7394 126 S 4.3240 7.9792 112.9789 61.4736 62.3886 176.0423 127 E 4.2202 8.6559 121.8291 59.4514 29.1344 179.1561 128 E 4.0142 8.6396 119.0755 59.3619 29.4259 179.1815 129 E 4.0157 8.3536 118.8401 59.6281 29.5062 178.9117 130 H 4.3793 8.2481 118.2008 59.2499 29.9024 177.1753 131 I 3.6875 8.0751 121.9451 64.6223 36.9018 177.8120 132 D 4.3295 8.3907 118.7362 57.3900 40.9700 177.5277 133 Y 4.0671 8.2952 120.0810 60.7306 38.8286 178.1539 134 L 3.7444 8.5463 119.9972 57.8974 41.7011 179.3969 135 E 3.9195 8.4590 118.8055 59.6307 29.3756 179.5786 136 T 3.7860 8.0241 115.8963 66.7604 68.5221 176.6289 137 Q 3.8292 7.8554 120.0248 58.8881 28.5143 179.0264 138 L 3.8616 7.7943 120.0756 57.6345 41.6082 179.6914 139 G 3.6321 8.2808 106.0035 47.8699 0.0000 175.7184 140 L 4.0386 7.8521 121.1005 57.4837 41.5009 179.3806 141 I 3.5925 7.3699 119.8970 64.5102 36.7450 178.5060 142 Q 3.9646 7.5431 117.6877 58.8669 28.6361 178.5844 143 K 4.1360 8.0021 118.5328 58.9157 32.2771 179.0386 144 V 4.1545 8.3060 110.2511 59.9915 32.9310 176.7752 145 G 4.0004 7.7108 107.1993 45.8154 0.0000 173.8820 146 L 3.9452 8.7548 124.3521 58.4205 41.8773 179.3007 147 E 3.9829 8.2363 117.5266 59.6133 29.3498 179.0890 148 N 4.2991 8.1168 115.7765 56.3688 38.4879 176.4261 149 Y 3.9956 7.9436 119.6604 60.8689 39.0900 178.0566 150 L 4.0734 8.4044 120.0168 57.6933 41.7117 178.9427 151 Q 3.9097 8.2029 119.7573 59.6178 28.7604 178.9457 152 S 4.2434 7.9778 112.9887 60.2502 62.9859 174.5137 153 H 4.6638 7.8834 118.7648 55.6376 29.5179 175.8273 154 M 4.1861 8.1687 121.8679 57.6069 31.9545 176.1329 155 H 5.0031 7.6387 114.4268 53.7297 30.4166 174.9380 156 E 4.0908 8.5762 123.4969 56.3239 30.0788 176.5245 157 D 4.4527 8.4812 119.5154 54.6633 41.3172 176.0537 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 K 8.30 4.17 0.00 1.63 1.95 0.00 1.57 0.00 0.00 1.21 0.00 0.00 2.14 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.15 1.29 7.81 3 G 7.77 3.53 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 0.00 0.00 0.00 0.00 0.00 0.00 4 D 8.64 4.38 0.00 2.77 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 8.63 3.93 0.00 1.85 1.77 0.00 1.75 0.00 0.00 1.73 0.00 0.00 2.88 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.49 1.48 7.81 6 K 8.11 4.04 0.00 1.80 1.54 0.00 1.57 0.00 0.00 1.64 0.00 0.00 2.79 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.38 1.41 7.81 7 V 8.20 3.66 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 1.09 0.00 0.00 1.01 0.00 0.00 8 I 7.77 3.78 2.02 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 1.52 0.64 0.90 0.00 0.00 9 Q 8.15 3.96 0.00 2.18 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.79 0.00 0.00 0.00 0.00 0.00 2.34 2.45 0.00 10 H 8.47 4.13 0.00 3.42 3.34 0.00 5.62 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 8.42 4.02 0.00 1.82 1.74 0.96 0.65 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 12 N 8.53 4.33 0.00 2.83 2.86 0.00 0.00 6.69 7.88 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 13 K 7.97 3.96 0.00 1.93 1.96 0.00 1.60 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.44 1.47 7.81 14 I 7.95 3.70 2.01 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 1.80 0.89 0.92 0.00 0.00 15 L 8.30 4.04 0.00 1.80 1.91 0.92 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 16 G 8.57 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 N 8.13 4.35 0.00 2.95 2.88 0.00 0.00 7.05 7.74 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 18 E 8.36 4.00 0.00 2.13 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 2.54 2.52 0.00 19 L 8.12 4.04 0.00 1.81 1.67 0.90 0.62 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 20 I 7.65 3.64 1.95 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 1.41 0.72 0.89 0.00 0.00 21 A 7.72 3.22 0.95 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 0.00 0.00 22 I 7.78 3.61 1.97 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 1.55 0.78 0.88 0.00 0.00 23 N 7.71 4.38 0.00 2.92 2.83 0.00 0.00 6.77 7.97 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 24 Q 8.08 3.83 0.00 2.06 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.80 0.00 0.00 0.00 0.00 0.00 2.43 2.32 0.00 25 Y 8.09 4.73 0.00 3.06 2.95 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 26 F 8.41 3.80 0.00 3.33 3.09 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 27 L 8.29 3.99 0.00 1.81 1.68 0.88 1.20 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 28 H 8.36 3.86 0.00 3.46 2.69 0.00 5.69 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 S 8.38 4.34 0.00 3.90 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 7.91 3.95 0.00 2.00 1.91 0.00 3.01 0.00 0.00 2.62 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.70 0.00 31 M 7.90 3.45 0.00 0.81 1.57 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 2.13 0.00 32 W 7.87 4.54 0.00 3.72 3.37 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 33 N 8.31 4.37 0.00 2.91 2.86 0.00 0.00 6.67 7.36 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 34 D 7.81 4.35 0.00 2.57 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 35 W 7.94 4.79 0.00 3.73 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 36 G 8.44 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 L 7.95 4.80 0.00 1.99 1.62 1.27 0.86 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 38 K 8.33 4.06 0.00 1.89 1.86 0.00 1.67 0.00 0.00 1.59 0.00 0.00 2.92 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.49 1.48 7.81 39 R 8.06 3.92 0.00 2.04 1.94 0.00 3.13 0.00 0.00 3.02 7.57 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 7.74 3.77 0.00 1.28 0.13 0.23 0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 41 G 8.21 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 0.00 0.00 0.00 42 A 8.08 3.97 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 43 H 8.21 3.91 0.00 3.33 3.28 0.00 5.79 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 8.69 3.96 0.00 2.59 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.74 2.62 0.00 45 Y 8.40 4.00 0.00 2.96 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 8.34 4.11 0.00 3.31 3.26 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 8.21 3.86 0.00 1.91 1.70 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 2.23 2.13 0.00 48 S 8.25 4.30 0.00 4.08 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 49 I 7.55 3.60 1.83 0.00 0.00 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.31 0.85 0.00 0.00 50 D 8.08 4.31 0.00 2.83 2.64 0.00 0.00 0.00 0.00 0.00 0.00 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 8.08 4.32 0.00 2.18 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 0.00 2.72 2.55 0.00 52 M 8.00 4.06 0.00 2.04 2.19 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.94 2.55 0.00 53 K 8.07 3.97 0.00 1.88 1.81 0.00 1.62 0.00 0.00 1.60 0.00 0.00 2.93 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.43 1.55 7.81 54 H 8.14 4.26 0.00 3.52 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 8.05 3.99 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 8.23 4.25 0.00 2.91 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 57 K 7.92 3.99 0.00 2.03 1.87 0.00 1.76 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.47 1.65 7.81 58 L 8.27 4.02 0.00 1.83 1.74 1.00 1.02 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 59 I 8.02 3.74 2.05 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 0.96 0.92 0.00 0.00 60 E 8.53 3.99 0.00 1.99 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 2.61 0.00 61 R 8.14 3.99 0.00 2.09 2.12 0.00 3.31 0.00 0.00 3.22 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.81 0.00 62 I 8.00 3.73 2.02 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 0.58 0.93 0.00 0.00 63 L 8.15 4.00 0.00 2.09 1.77 0.93 0.84 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 64 F 8.12 4.32 0.00 2.94 3.27 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 65 L 8.22 3.90 0.00 1.85 1.61 1.01 0.77 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 66 E 7.66 3.94 0.00 2.05 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 2.20 2.17 0.00 67 G 8.03 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 68 L 8.00 4.57 0.00 1.61 1.61 0.91 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 69 P 0.00 4.41 0.00 2.04 1.98 0.00 3.65 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 9.24 4.71 0.00 2.61 2.83 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 71 L 8.34 4.62 0.00 1.61 1.62 0.91 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 72 Q 8.47 4.18 0.00 1.97 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.53 6.65 0.00 0.00 0.00 0.00 0.00 2.32 2.35 0.00 73 D 8.08 4.73 0.00 2.68 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 74 L 8.28 4.53 0.00 1.50 1.50 0.88 1.04 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 75 G 8.40 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 0.00 0.00 0.00 76 K 8.36 4.09 0.00 1.70 1.74 0.00 1.67 0.00 0.00 1.70 0.00 0.00 3.06 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.42 1.51 7.81 77 L 8.44 3.93 0.00 1.63 1.56 0.91 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 78 L 8.70 4.34 0.00 1.78 1.69 0.95 0.69 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 79 I 8.07 4.29 1.87 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.78 0.90 0.00 0.00 80 G 8.75 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 E 8.81 4.59 0.00 2.02 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.37 0.00 82 N 7.69 5.03 0.00 2.83 2.80 0.00 0.00 6.28 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 8.58 4.40 4.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 84 Q 8.25 3.99 0.00 2.11 2.12 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 8.77 4.09 0.00 2.23 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 2.45 0.00 86 M 8.54 3.92 0.00 1.27 2.13 0.00 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.03 0.00 87 L 8.22 4.16 0.00 1.90 1.74 0.83 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 88 Q 8.16 4.00 0.00 2.19 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.78 0.00 0.00 0.00 0.00 0.00 2.37 2.48 0.00 89 C 8.75 4.15 0.00 3.32 3.23 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 0.00 90 D 8.43 4.67 0.00 2.98 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 91 L 8.10 3.97 0.00 1.90 1.88 0.93 0.48 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 8.45 4.33 0.00 2.95 2.89 0.00 0.00 6.71 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 93 L 8.14 4.00 0.00 2.00 1.97 0.91 0.71 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 8.51 4.09 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 2.66 2.48 0.00 95 L 8.31 4.04 0.00 1.70 1.73 0.94 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 96 K 7.99 3.98 0.00 1.83 1.96 0.00 1.54 0.00 0.00 1.66 0.00 0.00 3.14 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.44 1.51 7.81 97 A 8.29 4.04 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 T 7.77 3.83 4.60 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 1.30 0.00 0.00 99 K 7.83 3.84 0.00 1.94 1.99 0.00 1.75 0.00 0.00 1.66 0.00 0.00 3.03 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.46 1.56 7.81 100 D 8.27 4.44 0.00 2.89 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 0.00 101 L 7.86 3.98 0.00 2.00 1.74 0.93 0.99 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 0.00 102 R 8.27 3.94 0.00 1.96 2.00 0.00 3.14 0.00 0.00 3.18 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.87 0.00 103 E 8.17 3.95 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 2.35 2.45 0.00 104 A 8.25 3.64 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.80 3.63 2.08 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 0.67 0.93 0.00 0.00 106 V 7.85 3.56 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 1.00 0.00 0.00 1.02 0.00 0.00 107 H 7.99 4.07 0.00 3.27 3.28 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 8.20 3.97 0.00 3.11 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 0.00 109 E 8.33 3.88 0.00 2.19 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 2.37 2.44 0.00 110 Q 7.73 3.98 0.00 2.09 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.98 0.00 0.00 0.00 0.00 0.00 2.28 2.36 0.00 111 V 7.19 3.95 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 0.74 0.00 0.00 0.83 0.00 0.00 112 H 7.62 2.79 0.00 3.08 2.98 0.00 5.66 0.00 0.00 0.00 0.00 7.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 D 7.67 4.52 0.00 2.58 2.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 Y 7.39 4.27 0.00 3.07 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 0.00 115 V 7.86 3.63 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 1.09 0.00 0.00 1.00 0.00 0.00 116 S 8.35 4.16 0.00 4.11 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 R 8.17 3.88 0.00 1.92 2.17 0.00 3.20 0.00 0.00 3.14 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.68 0.00 118 D 8.41 4.32 0.00 2.97 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 0.00 119 L 8.01 3.93 0.00 1.87 1.88 0.99 0.54 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 8.04 4.04 0.00 1.88 1.71 0.93 0.63 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 0.00 121 K 8.31 4.05 0.00 1.93 2.01 0.00 1.64 0.00 0.00 1.66 0.00 0.00 2.95 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.45 1.50 7.81 122 D 8.14 4.40 0.00 2.93 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 0.00 123 I 7.72 3.52 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 1.13 0.63 0.82 0.00 0.00 124 L 8.31 3.99 0.00 1.81 1.90 0.94 0.82 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 0.00 125 E 8.35 3.94 0.00 2.11 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 2.33 2.33 0.00 126 S 7.98 4.32 0.00 3.99 4.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 127 E 8.66 4.22 0.00 2.03 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 2.50 2.53 0.00 128 E 8.64 4.01 0.00 2.03 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 2.58 0.00 129 E 8.35 4.02 0.00 2.24 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.36 0.00 130 H 8.25 4.38 0.00 3.39 3.65 0.00 5.62 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 0.00 131 I 8.08 3.69 2.07 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 0.70 0.93 0.00 0.00 132 D 8.39 4.33 0.00 2.89 2.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 133 Y 8.30 4.07 0.00 3.18 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 0.00 134 L 8.55 3.74 0.00 1.91 1.67 1.11 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 135 E 8.46 3.92 0.00 1.95 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 2.31 2.45 0.00 136 T 8.02 3.79 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 1.18 0.00 0.00 137 Q 7.86 3.83 0.00 1.81 1.79 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 1.22 1.99 0.00 138 L 7.79 3.86 0.00 1.91 1.61 0.83 0.96 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 8.28 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 0.00 0.00 0.00 140 L 7.85 4.04 0.00 1.87 1.89 1.02 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 141 I 7.37 3.59 1.80 0.00 0.00 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.11 0.81 0.00 0.00 142 Q 7.54 3.96 0.00 2.07 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.97 0.00 0.00 0.00 0.00 0.00 2.53 2.50 0.00 143 K 8.00 4.14 0.00 1.73 1.87 0.00 1.67 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 1.68 7.81 144 V 8.31 4.15 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 0.78 0.00 0.00 1.10 0.00 0.00 145 G 7.71 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 0.00 146 L 8.75 3.95 0.00 1.76 1.71 0.94 0.97 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 0.00 147 E 8.24 3.98 0.00 2.06 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 2.40 2.41 0.00 148 N 8.12 4.30 0.00 3.08 2.89 0.00 0.00 6.72 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 7.94 4.00 0.00 2.96 3.17 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 0.00 150 L 8.40 4.07 0.00 1.73 1.73 0.95 0.91 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 0.00 151 Q 8.20 3.91 0.00 2.18 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.85 0.00 0.00 0.00 0.00 0.00 2.30 2.38 0.00 152 S 7.98 4.24 0.00 3.78 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 2.89 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 8.17 4.19 0.00 1.95 1.85 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.82 2.44 0.00 155 H 7.64 5.00 0.00 3.09 3.17 0.00 5.73 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 0.00 156 E 8.58 4.09 0.00 1.95 1.88 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 2.31 2.45 0.00 157 D 8.48 4.45 0.00 2.60 2.53 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 0.00 0.00 0.00