NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 T 4.2736 8.1749 115.2489 62.0620 67.3808 172.0088 3 I 4.1649 7.8571 127.1150 59.9013 38.6212 173.3851 4 M 4.6560 9.6500 126.8172 53.5399 35.6901 174.4916 5 L 4.9565 8.1709 121.9250 53.5056 43.1858 176.0205 6 T 4.7669 8.5400 114.2936 58.7974 71.9979 171.6740 7 P 4.6727 0.0000 0.0000 63.4514 31.8370 175.7726 8 M 4.2584 8.8622 125.1822 56.0636 32.9327 175.8335 9 Q 4.5722 8.6569 123.7058 54.7538 31.0002 176.3728 10 T 3.9192 8.5217 116.2926 67.2920 68.3798 175.8153 11 E 3.9516 8.2795 119.9529 59.7892 29.5934 178.7689 12 E 4.0374 8.2521 117.7358 59.2984 29.5166 179.0354 13 F 4.1370 8.7705 121.0436 61.5643 39.6964 177.5644 14 R 3.7904 8.4632 117.8032 58.8085 29.8586 179.1560 15 S 4.0739 8.0495 113.4253 61.3317 62.3726 175.3326 16 Y 3.8925 8.5006 122.6600 60.5604 38.4612 177.7618 17 L 3.0750 7.5537 121.4204 58.1761 41.7478 179.0720 18 T 3.6165 7.0428 114.4525 66.6728 68.3179 175.8639 19 Y 3.9431 7.5001 120.7197 60.9250 38.7365 178.1256 20 T 3.1515 7.4839 116.7566 66.7423 68.4755 176.4469 21 T 3.8409 6.8598 118.5700 66.0037 68.4908 176.8152 22 K 3.9769 7.4917 119.9228 59.5604 31.9912 179.0377 23 H 3.9760 8.0961 118.8824 59.2989 29.7592 176.6505 24 Y 4.2224 8.7859 121.5732 60.6590 38.6883 177.8356 25 A 4.2539 8.1900 121.6107 55.4544 18.4717 179.4861 26 E 3.8497 8.0584 116.9255 59.6029 29.4254 179.5229 27 E 3.5219 7.9887 118.6520 59.1093 29.3310 179.6082 28 K 3.5140 7.4889 118.4542 58.9313 31.8762 179.7265 29 V 4.0413 7.4341 120.0694 65.2342 31.2712 177.8495 30 K 3.7002 7.9078 118.3830 59.5790 32.0707 178.3176 31 A 4.1662 7.7983 119.3484 53.3825 18.4235 178.4345 32 G 3.9675 7.7951 105.3393 45.5211 0.0000 174.9420 33 T 4.1070 7.6936 115.9274 65.3709 68.9208 174.8346 34 W 5.1492 8.0432 120.3205 54.5710 32.2307 174.9468 35 L 4.4702 8.3424 121.6389 53.6503 42.0514 176.1172 36 P 4.2656 0.0000 0.0000 66.0703 31.3372 178.3441 37 E 4.2234 8.1475 114.7054 58.0117 29.8331 177.4876 38 D 4.7013 8.2504 118.1786 54.4209 42.2707 177.9950 39 A 4.0784 7.5104 120.6245 55.3285 18.3360 179.1201 40 Q 3.9239 8.0773 117.2156 59.5488 29.1120 178.3301 41 L 3.9353 7.7620 120.5701 57.9240 42.1070 178.7830 42 L 3.6019 7.3685 118.4534 57.6812 40.8710 179.1679 43 S 4.7037 8.1942 113.1264 61.7450 62.3443 176.2230 44 K 4.1527 8.3528 122.0955 59.6471 31.9575 178.8009 45 Q 4.0044 8.2634 118.4929 58.9628 28.6394 178.9104 46 V 3.5969 8.3056 119.6845 66.0899 31.6112 178.0189 47 F 4.3720 8.2639 117.0904 60.3156 38.6057 178.0693 48 T 4.0520 7.8693 115.1446 66.5410 68.3274 176.2579 49 D 4.5248 8.0794 120.0540 56.8531 40.9383 178.4351 50 L 4.2158 7.6470 118.6464 56.2012 43.3861 177.4167 51 L 4.7584 7.9350 117.4763 52.4239 41.8194 175.5352 52 P 4.3529 0.0000 0.0000 64.8431 32.3727 178.4094 53 R 4.4885 8.0580 117.3613 55.0305 31.4446 176.6169 54 G 3.5266 7.6482 108.7539 46.3867 0.0000 177.8286 55 L 3.4524 7.7594 122.7221 56.8184 41.4706 177.3905 56 E 4.2437 7.6437 116.3997 56.3156 29.8350 176.5332 57 T 3.9082 7.7116 118.5241 62.6497 68.8157 172.1881 58 P 4.1248 0.0000 0.0000 64.2094 31.9699 176.4492 59 H 4.3826 8.9461 118.4557 56.0124 26.3737 173.5247 60 H 5.4169 7.6222 116.9489 54.5082 30.5662 174.2386 61 H 4.3848 9.4628 120.3028 53.9572 31.2893 172.7078 62 L 5.0269 7.9025 123.7922 52.6516 44.0187 175.7855 63 W 5.5848 9.4377 123.5468 54.9964 33.4749 174.7281 64 S 5.0907 9.5099 119.8000 58.0079 64.2636 173.2909 65 L 4.7960 9.1281 124.9993 53.8928 42.8990 175.8470 66 K 4.7959 8.7730 123.4986 54.6307 34.9405 177.3550 67 L 3.8124 8.5185 127.1620 57.4613 42.3895 175.6473 68 N 4.7240 7.3963 112.2513 52.0759 39.4659 173.1976 69 E 4.0379 8.9018 116.9179 59.6129 29.6438 178.5773 70 K 4.0573 8.2398 118.2284 58.2305 32.9501 176.1559 71 D 4.5578 8.5880 120.4867 52.9042 41.1030 175.6913 72 I 4.5032 8.0194 126.3192 59.9974 37.1955 176.2231 73 V 3.1642 8.2763 120.1779 61.7717 32.4083 176.7059 74 G 3.6899 7.0725 106.0180 45.2394 0.0000 171.5219 75 W 5.7177 6.7358 115.5205 55.0090 32.4391 174.2350 76 L 5.3852 9.0001 122.1044 53.8691 45.7089 174.1394 77 W 5.9457 9.8231 135.0000 55.8655 33.8995 173.7802 78 I 5.3163 9.3157 120.1591 59.4087 41.2220 173.6635 79 H 5.5466 9.6407 123.1509 54.5137 32.4466 172.3258 80 A 4.7423 8.9271 127.2946 50.2582 21.7125 174.7143 81 E 4.2392 8.5609 124.1435 53.9888 30.4096 174.7509 82 P 4.4148 0.0000 0.0000 64.6787 31.4487 176.5780 83 E 4.3563 7.8664 117.5222 56.5209 30.0879 175.6770 84 H 4.2502 8.3161 121.5182 55.1153 30.3513 174.4421 85 P 4.3005 0.0000 0.0000 65.2569 31.0977 176.8499 86 Q 4.4749 8.2604 114.8132 54.7706 29.7136 174.9061 87 Q 3.4807 7.8995 116.8017 56.8760 26.8338 172.6511 88 E 4.9805 7.9101 116.5578 55.0793 31.5197 174.9595 89 A 5.0238 8.7866 126.7873 50.0818 22.6602 174.5782 90 F 4.9814 9.0456 123.7278 56.3589 41.8854 174.7172 91 I 4.3745 7.7554 127.8474 60.9972 36.5074 175.5148 92 Y 4.0945 8.5668 126.4842 60.3851 38.4393 175.6500 93 D 4.9299 7.8686 115.7737 53.8245 44.8957 174.2134 94 F 5.1408 8.6723 122.4837 57.6971 42.5757 173.0172 95 G 2.9543 5.9898 111.3149 45.5714 0.0000 171.5269 96 L 4.8460 7.4004 118.7662 52.3503 44.6002 177.0136 97 Y 4.4773 8.8097 120.9172 57.8870 38.7182 176.8454 98 E 3.9798 9.3333 124.0686 59.2332 29.6842 177.2927 99 P 4.3100 0.0000 0.0000 64.4261 31.4877 176.2845 100 Y 4.7879 8.0686 114.8238 57.6986 38.3754 176.0784 101 R 4.2396 7.6743 119.7497 56.8740 30.9215 176.1945 102 G 3.8551 8.7642 106.4703 46.6954 0.0000 174.3166 103 K 4.2341 7.8123 115.0622 55.0278 33.6784 177.2502 104 G 3.8757 8.0420 107.5202 46.0144 0.0000 175.1451 105 Y 4.1469 7.4128 118.7294 60.5140 37.7483 178.0383 106 A 4.2167 8.0973 121.6664 55.3583 18.5247 179.6522 107 K 4.0320 8.0890 116.3848 59.7618 32.1916 179.5226 108 Q 4.0439 7.8557 117.9118 58.8341 28.5407 178.6050 109 A 4.0581 8.5320 122.4031 55.0745 18.4035 179.6557 110 L 3.7873 8.0690 117.1674 57.3457 41.6385 179.5432 111 A 3.9244 7.9342 121.0518 54.9878 18.2724 179.4888 112 A 3.8506 8.0136 119.3657 54.9277 18.3417 179.5735 113 L 3.6586 7.9927 119.0711 58.2348 42.1709 178.3538 114 D 4.2839 8.0383 117.9908 57.6750 41.1638 178.4562 115 Q 3.8775 8.0788 117.7342 58.9488 28.5520 178.7133 116 A 3.8519 7.7727 120.0363 55.0448 18.6723 179.0758 117 A 4.1238 8.4991 119.4645 55.6231 18.5123 180.0051 118 R 3.9029 7.9567 116.6770 59.4039 29.9430 179.0837 119 S 4.3286 7.8834 111.6886 60.2655 63.2926 175.1660 120 M 4.4452 7.9036 121.0828 54.7474 32.4805 176.8066 121 G 3.9548 7.9223 107.7167 45.1196 0.0000 173.9445 122 I 4.0298 7.4521 112.6159 60.9606 38.1823 175.9263 123 R 4.5771 8.5800 120.7670 56.0896 31.5252 176.0209 124 K 4.5035 7.6974 119.8815 55.2056 35.7451 173.8763 125 L 5.2937 8.5473 126.7260 53.2190 44.2728 175.7397 126 S 4.9312 8.5689 118.1640 57.0208 67.5829 172.6008 127 L 2.9798 7.6858 118.9755 55.1104 42.4809 173.4057 128 H 4.7849 8.2907 119.7035 54.2579 31.6802 174.4066 129 V 4.2884 7.4435 124.2332 59.4585 33.9714 175.2108 130 F 4.0189 8.7593 123.2020 57.5277 39.4241 176.3150 131 A 4.0504 8.7821 127.5312 55.5481 18.3385 178.6363 132 H 4.4205 8.1081 109.1675 57.5738 29.4885 176.4412 133 N 4.7353 7.7154 120.8693 52.2049 35.1476 175.3970 134 Q 4.0337 7.8421 122.8362 59.1201 29.4651 178.4681 135 T 3.8218 7.9262 116.1320 66.6210 68.5315 176.3251 136 A 3.6964 7.8600 122.1007 54.8991 18.4529 179.6425 137 R 3.9440 7.9989 116.6010 59.5057 30.2272 179.3984 138 K 4.1253 8.5079 118.4818 59.4501 32.0740 179.1233 139 L 4.0106 7.6264 120.0639 58.3853 41.9297 178.7327 140 Y 4.6518 7.7398 116.7581 61.0237 37.8941 178.0831 141 E 4.2502 8.5084 119.6071 59.7605 29.4794 179.5120 142 Q 4.1889 8.5730 116.4600 58.0919 28.6766 177.6738 143 T 4.5222 7.6362 112.2953 61.6425 67.7761 174.9537 144 G 3.8835 8.0563 107.2327 44.7248 0.0000 174.4439 145 F 4.3411 7.9301 118.6872 57.1583 39.6208 174.8975 146 Q 4.7825 8.3455 122.5364 53.7048 31.5875 175.4448 147 E 4.1629 8.7824 121.4971 56.8171 30.2856 176.2587 148 T 4.4343 8.6547 112.4499 62.6609 70.5972 174.2333 149 D 5.0049 7.8081 119.4763 51.7503 44.3021 175.3252 150 V 4.3127 8.1006 120.4074 61.1878 34.2393 174.6160 151 V 4.2762 8.3983 126.8002 61.5250 32.7703 174.5795 152 M 4.8994 8.3407 125.4168 53.8362 35.3178 174.4507 153 S 4.6599 8.1464 113.2970 57.3107 65.6712 173.3219 154 K 4.5137 8.1634 123.9332 55.0938 34.8710 175.2785 155 K 4.3650 8.5246 125.9221 55.5423 33.2283 176.7940 156 L 4.2165 8.4210 121.9336 55.0784 41.6863 176.7123 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 T 8.17 4.27 4.24 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 0.00 0.00 0.00 1.20 0.00 0.00 3 I 7.86 4.16 1.84 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.32 0.86 0.00 0.00 4 M 9.65 4.66 0.00 1.87 1.88 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 2.46 2.43 0.00 5 L 8.17 4.96 0.00 0.93 0.44 0.72 -0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 6 T 8.54 4.77 4.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 7 P 0.00 4.67 0.00 2.03 2.14 0.00 3.80 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.32 0.00 8 M 8.86 4.26 0.00 2.04 2.04 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 2.73 2.68 0.00 9 Q 8.66 4.57 0.00 2.16 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.98 6.56 0.00 0.00 0.00 0.00 0.00 2.43 2.34 0.00 10 T 8.52 3.92 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 1.26 0.00 0.00 11 E 8.28 3.95 0.00 2.05 1.99 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 2.40 2.44 0.00 12 E 8.25 4.04 0.00 2.32 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 2.50 2.50 0.00 13 F 8.77 4.14 0.00 3.13 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 14 R 8.46 3.79 0.00 1.88 1.93 0.00 3.22 0.00 0.00 3.13 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.92 0.00 15 S 8.05 4.07 0.00 3.89 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 16 Y 8.50 3.89 0.00 2.90 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 17 L 7.55 3.08 0.00 0.90 1.16 0.59 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 18 T 7.04 3.62 4.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 19 Y 7.50 3.94 0.00 3.00 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 T 7.48 3.15 3.31 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 0.81 0.00 0.00 21 T 6.86 3.84 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 22 K 7.49 3.98 0.00 1.78 1.79 0.00 1.62 0.00 0.00 1.54 0.00 0.00 2.88 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.42 1.51 7.81 23 H 8.10 3.98 0.00 2.48 2.83 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 24 Y 8.79 4.22 0.00 3.52 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 25 A 8.19 4.25 1.57 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 0.00 0.00 0.00 0.00 0.00 0.00 26 E 8.06 3.85 0.00 2.07 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 2.30 2.56 0.00 27 E 7.99 3.52 0.00 1.27 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 2.11 2.27 0.00 28 K 7.49 3.51 0.00 1.46 1.03 0.00 0.61 0.00 0.00 1.25 0.00 0.00 2.14 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.42 0.21 7.81 29 V 7.43 4.04 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 1.05 0.00 0.00 30 K 7.91 3.70 0.00 1.70 1.50 0.00 1.75 0.00 0.00 1.56 0.00 0.00 2.96 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.07 1.29 7.81 31 A 7.80 4.17 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 32 G 7.80 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 33 T 7.69 4.11 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 1.08 0.00 0.00 34 W 8.04 5.15 0.00 3.26 2.88 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 35 L 8.34 4.47 0.00 1.72 1.78 0.93 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 36 P 0.00 4.27 0.00 2.17 2.13 0.00 3.61 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.14 0.00 37 E 8.15 4.22 0.00 1.92 1.99 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 2.30 2.38 0.00 38 D 8.25 4.70 0.00 2.64 2.44 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 39 A 7.51 4.08 1.59 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 0.00 0.00 40 Q 8.08 3.92 0.00 2.13 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.85 0.00 0.00 0.00 0.00 0.00 2.43 2.44 0.00 41 L 7.76 3.94 0.00 1.74 1.54 0.88 0.55 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 42 L 7.37 3.60 0.00 0.48 0.13 -0.38 0.61 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 43 S 8.19 4.70 0.00 4.48 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 0.00 44 K 8.35 4.15 0.00 2.06 1.96 0.00 1.63 0.00 0.00 1.67 0.00 0.00 3.05 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.46 1.57 7.81 45 Q 8.26 4.00 0.00 2.31 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.58 0.00 0.00 0.00 0.00 0.00 2.36 2.50 0.00 46 V 8.31 3.60 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.56 0.00 0.00 1.21 0.00 0.00 47 F 8.26 4.37 0.00 3.28 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 48 T 7.87 4.05 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 1.24 0.00 0.00 49 D 8.08 4.52 0.00 2.64 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 50 L 7.65 4.22 0.00 1.70 1.78 0.38 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 51 L 7.93 4.76 0.00 1.68 1.46 0.37 0.37 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 52 P 0.00 4.35 0.00 2.17 2.27 0.00 3.69 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.98 0.00 53 R 8.06 4.49 0.00 1.89 1.87 0.00 3.24 0.00 0.00 3.15 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.51 0.00 54 G 7.65 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 55 L 7.76 3.45 0.00 1.29 1.44 0.76 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.48 0.00 0.00 0.00 0.00 0.00 0.00 56 E 7.64 4.24 0.00 2.03 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.34 0.00 57 T 7.71 3.91 4.15 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 1.27 0.00 0.00 58 P 0.00 4.12 0.00 1.89 1.82 0.00 3.71 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 1.98 2.04 0.00 59 H 8.95 4.38 0.00 3.44 3.65 0.00 5.60 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 60 H 7.62 5.42 0.00 3.11 3.28 0.00 5.59 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 H 9.46 4.38 0.00 2.37 1.73 0.00 5.77 0.00 0.00 0.00 0.00 6.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 L 7.90 5.03 0.00 1.36 1.42 0.47 0.33 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 63 W 9.44 5.58 0.00 3.39 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 64 S 9.51 5.09 0.00 3.84 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 L 9.13 4.80 0.00 1.60 1.57 1.05 1.01 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 66 K 8.77 4.80 0.00 1.63 1.76 0.00 1.66 0.00 0.00 1.57 0.00 0.00 2.79 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.32 1.36 7.81 67 L 8.52 3.81 0.00 1.25 1.50 0.53 0.55 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 68 N 7.40 4.72 0.00 2.79 2.75 0.00 0.00 6.02 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 69 E 8.90 4.04 0.00 1.95 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 2.32 2.37 0.00 70 K 8.24 4.06 0.00 1.70 1.97 0.00 1.66 0.00 0.00 1.71 0.00 0.00 3.10 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.42 1.54 7.81 71 D 8.59 4.56 0.00 2.59 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 0.00 0.00 0.00 0.00 72 I 8.02 4.50 1.84 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 1.44 0.51 1.21 0.00 0.00 73 V 8.28 3.16 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 -0.09 0.00 0.00 0.77 0.00 0.00 74 G 7.07 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 75 W 6.74 5.72 0.00 3.19 3.13 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 76 L 9.00 5.39 0.00 2.07 1.89 1.07 1.16 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 77 W 9.82 5.95 0.00 3.53 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 78 I 9.32 5.32 2.07 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 1.21 1.13 0.00 0.00 79 H 9.64 5.55 0.00 3.65 3.48 0.00 5.72 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 80 A 8.93 4.74 1.24 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 0.00 0.00 0.00 0.00 0.00 0.00 81 E 8.56 4.24 0.00 1.91 1.81 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 0.00 2.19 2.11 0.00 82 P 0.00 4.41 0.00 2.22 2.17 0.00 3.63 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 2.00 0.00 83 E 7.87 4.36 0.00 2.15 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 2.26 2.22 0.00 84 H 8.32 4.25 0.00 3.29 3.16 0.00 5.60 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 P 0.00 4.30 0.00 2.18 2.14 0.00 3.41 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.87 0.00 86 Q 8.26 4.47 0.00 2.16 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.94 0.00 0.00 0.00 0.00 0.00 2.29 2.38 0.00 87 Q 7.90 3.48 0.00 2.33 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.94 6.85 0.00 0.00 0.00 0.00 0.00 2.29 2.33 0.00 88 E 7.91 4.98 0.00 1.89 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.42 0.00 89 A 8.79 5.02 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 90 F 9.05 4.98 0.00 2.89 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 91 I 7.76 4.37 1.35 0.00 0.00 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.44 0.89 0.00 0.00 92 Y 8.57 4.09 0.00 1.43 1.43 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 0.00 0.00 0.00 0.00 93 D 7.87 4.93 0.00 3.29 3.22 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 94 F 8.67 5.14 0.00 2.98 2.98 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 95 G 5.99 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 0.00 0.00 0.00 96 L 7.40 4.85 0.00 1.34 1.53 1.03 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 97 Y 8.81 4.48 0.00 3.45 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 98 E 9.33 3.98 0.00 2.10 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 2.42 2.41 0.00 99 P 0.00 4.31 0.00 1.42 1.86 0.00 3.90 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 1.94 2.05 0.00 100 Y 8.07 4.79 0.00 3.22 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 0.00 101 R 7.67 4.24 0.00 1.77 1.86 0.00 3.27 0.00 0.00 3.24 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.81 0.00 102 G 8.76 3.86 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 0.00 0.00 0.00 0.00 0.00 0.00 103 K 7.81 4.23 0.00 0.88 1.29 0.00 1.82 0.00 0.00 1.71 0.00 0.00 2.90 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.22 1.30 7.81 104 G 8.04 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 0.00 105 Y 7.41 4.15 0.00 3.07 2.94 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 0.00 106 A 8.10 4.22 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 0.00 107 K 8.09 4.03 0.00 1.84 1.90 0.00 1.68 0.00 0.00 1.84 0.00 0.00 2.97 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.57 1.55 7.81 108 Q 7.86 4.04 0.00 2.17 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.81 0.00 0.00 0.00 0.00 0.00 2.43 2.62 0.00 109 A 8.53 4.06 1.57 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 0.00 0.00 0.00 0.00 0.00 0.00 110 L 8.07 3.79 0.00 1.89 1.75 1.18 0.23 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 0.00 111 A 7.93 3.92 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 0.00 112 A 8.01 3.85 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 L 7.99 3.66 0.00 1.63 1.76 0.97 1.13 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 0.00 114 D 8.04 4.28 0.00 2.76 2.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 Q 8.08 3.88 0.00 2.19 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.56 0.00 0.00 0.00 0.00 0.00 2.33 2.57 0.00 116 A 7.77 3.85 1.03 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 0.00 117 A 8.50 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 0.00 118 R 7.96 3.90 0.00 1.98 1.97 0.00 3.09 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 1.61 1.87 0.00 119 S 7.88 4.33 0.00 4.05 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 0.00 120 M 7.90 4.45 0.00 2.06 2.32 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 2.82 2.60 0.00 121 G 7.92 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 I 7.45 4.03 2.00 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.51 0.94 0.00 0.00 123 R 8.58 4.58 0.00 1.84 1.96 0.00 3.19 0.00 0.00 3.15 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.54 0.00 124 K 7.70 4.50 0.00 1.78 1.57 0.00 1.67 0.00 0.00 1.82 0.00 0.00 3.09 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.41 1.45 7.81 125 L 8.55 5.29 0.00 1.56 1.66 0.91 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 126 S 8.57 4.93 0.00 3.89 3.76 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.69 2.98 0.00 0.89 0.78 0.24 -1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 128 H 8.29 4.78 0.00 3.23 3.25 0.00 5.67 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 129 V 7.44 4.29 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 0.78 0.00 0.00 1.07 0.00 0.00 130 F 8.76 4.02 0.00 3.08 2.76 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.78 4.05 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 132 H 8.11 4.42 0.00 3.28 3.46 0.00 5.52 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 133 N 7.72 4.74 0.00 3.01 2.86 0.00 0.00 6.86 7.11 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 0.00 134 Q 7.84 4.03 0.00 2.07 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.17 6.90 0.00 0.00 0.00 0.00 0.00 2.47 2.42 0.00 135 T 7.93 3.82 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 1.17 0.00 0.00 136 A 7.86 3.70 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 137 R 8.00 3.94 0.00 2.07 2.03 0.00 3.24 0.00 0.00 3.19 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.89 0.00 138 K 8.51 4.13 0.00 1.71 1.85 0.00 1.66 0.00 0.00 1.57 0.00 0.00 2.90 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.62 7.81 139 L 7.63 4.01 0.00 1.64 1.48 0.95 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 140 Y 7.74 4.65 0.00 3.23 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 0.00 141 E 8.51 4.25 0.00 2.26 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 2.40 2.63 0.00 142 Q 8.57 4.19 0.00 2.13 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 7.21 0.00 0.00 0.00 0.00 0.00 2.41 2.58 0.00 143 T 7.64 4.52 4.35 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 1.72 0.00 0.00 144 G 8.06 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 0.00 145 F 7.93 4.34 0.00 3.20 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 0.00 146 Q 8.35 4.78 0.00 2.02 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.92 0.00 0.00 0.00 0.00 0.00 2.26 2.34 0.00 147 E 8.78 4.16 0.00 1.97 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.33 0.00 148 T 8.65 4.43 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 149 D 7.81 5.00 0.00 2.62 2.57 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 0.00 0.00 0.00 0.00 150 V 8.10 4.31 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 0.80 0.00 0.00 0.93 0.00 0.00 151 V 8.40 4.28 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 0.89 0.00 0.00 0.93 0.00 0.00 152 M 8.34 4.90 0.00 2.01 1.92 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.49 0.00 153 S 8.15 4.66 0.00 3.79 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 0.00 154 K 8.16 4.51 0.00 1.71 1.62 0.00 1.83 0.00 0.00 1.71 0.00 0.00 2.78 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.33 1.47 7.81 155 K 8.52 4.36 0.00 1.79 1.73 0.00 1.80 0.00 0.00 1.71 0.00 0.00 2.79 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.42 1.46 7.81 156 L 8.42 4.22 0.00 1.64 1.58 0.93 0.86 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