NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3815 8.2893 120.3493 55.5372 32.0766 174.0917 2 N 4.4873 8.0636 121.4056 50.5066 37.8715 171.2109 3 E 3.9768 9.3283 125.3768 57.0080 29.2435 178.3118 4 L 4.4036 8.1375 124.4612 53.3902 40.6409 176.0391 5 E 4.5278 8.0203 123.2833 53.5653 32.1263 175.7784 6 G 3.7862 8.1367 112.3694 45.1935 0.0000 172.2472 7 Y 4.7398 8.8497 117.2889 56.0772 40.0609 176.8816 8 V 4.0691 8.5701 123.8179 63.5217 32.5324 177.5829 9 T 4.2036 8.1751 117.3081 66.1242 68.8341 175.0047 10 K 4.3952 7.9500 120.0620 56.5960 32.4403 177.1925 11 A 4.3120 8.1521 123.7741 53.5374 19.0524 182.0679 12 Q 3.4670 7.7073 111.5823 58.0098 31.5523 180.1368 13 S 4.0899 8.0030 110.8422 59.9958 63.1807 174.3143 14 F 4.2563 8.5868 120.0103 56.4916 39.8318 174.5112 15 R 4.5672 8.3695 121.8090 54.7281 32.0662 174.3951 16 F 5.8224 8.9774 122.9345 54.7259 43.9279 173.5695 17 A 4.7283 8.3011 120.1502 50.5066 22.3955 175.0145 18 I 4.8235 8.8563 122.9421 59.4644 40.3465 174.9835 19 V 4.5975 8.6030 125.4954 61.1802 34.3837 174.6175 20 V 5.2912 8.8037 120.5081 58.3184 35.3962 174.6284 21 A 5.6653 8.4604 125.6065 50.6241 19.6060 177.8403 22 R 4.2469 8.9714 121.6617 58.8521 30.7127 176.6855 23 F 4.0981 8.2626 119.8346 59.7980 39.8095 174.1864 24 N 4.3299 8.4367 123.2317 54.4301 36.2856 176.0788 25 E 4.4888 8.0586 121.6097 59.3667 29.4058 177.6659 26 F 3.9742 8.3440 118.7012 60.9836 39.4352 176.4267 27 V 4.1147 8.4983 117.1611 65.0708 32.0493 177.5471 28 T 3.8634 8.0136 109.0815 65.1311 68.2541 175.3207 29 R 4.0496 8.4995 122.0423 59.3499 29.9388 178.1894 30 R 3.8174 7.9579 116.7699 59.2962 30.1524 178.1920 31 L 3.8532 8.1916 120.2128 58.6290 41.9463 178.6799 32 M 3.8619 8.6363 117.9081 58.8541 32.1751 177.6627 33 E 4.0767 8.6786 119.1480 59.6262 29.5480 179.9491 34 G 3.4701 8.3552 105.4433 47.6872 0.0000 175.3605 35 A 3.6633 7.8001 124.0378 54.8469 18.4715 178.8523 36 L 4.0731 8.2776 118.7785 58.6054 41.9962 178.2939 37 D 4.4027 8.5958 117.7104 58.1310 41.1284 178.8193 38 T 3.8766 8.0276 115.9823 66.9389 68.2118 176.0599 39 F 4.3059 7.5210 117.9779 60.7641 39.2692 177.4636 40 K 4.1870 8.1728 117.1680 59.6850 31.7657 179.1203 41 K 3.8402 8.5593 118.5824 59.2009 32.5902 176.8275 42 Y 4.2987 8.7024 117.7709 58.5002 38.5110 176.0211 43 S 3.8153 8.2039 111.1832 58.8480 63.5385 172.8281 44 V 3.9610 7.8459 120.3686 62.0862 31.6884 175.7540 45 N 4.7221 8.3096 120.9835 53.6712 40.5480 173.9816 46 E 4.5032 9.0480 125.9565 56.4571 30.8386 174.6747 47 D 4.2887 8.8542 114.0109 59.6463 40.0962 173.9196 48 I 3.5696 6.4697 109.4574 58.4854 39.5065 174.5687 49 D 4.6509 8.7591 124.4465 54.0237 42.2427 175.4144 50 V 4.6299 8.3571 116.3696 59.5604 33.9683 175.0526 51 V 4.2782 8.8210 126.9357 60.9503 33.3162 174.4115 52 W 5.2066 8.8625 128.1762 55.9540 30.2803 176.2032 53 V 4.7121 9.1025 118.0117 58.8825 34.8934 174.8342 54 P 4.3534 0.0000 0.0000 65.5239 31.9808 176.3903 55 G 4.5389 8.2237 108.6638 42.3698 0.0000 173.1856 56 A 3.9384 8.6540 122.9324 55.3673 18.3574 179.4647 57 Y 3.9323 8.3200 116.0666 61.1487 38.7701 178.1005 58 E 4.1242 8.7081 119.3394 59.4706 29.5246 179.3437 59 L 3.9789 7.7273 118.8873 58.7097 41.6902 179.0332 60 G 3.6724 7.8560 101.2482 49.4021 0.0000 175.5951 61 V 3.6652 7.7232 112.0269 63.8679 32.1549 178.5948 62 T 3.8312 7.7858 114.6263 66.6607 68.2661 176.2625 63 A 3.9055 8.5465 122.6567 55.6526 18.3895 179.3560 64 Q 3.8837 8.3760 118.1227 60.0338 29.2348 178.7627 65 A 4.0090 8.8520 122.0446 54.6737 18.0783 179.1247 66 L 4.1418 8.2554 117.8250 57.8264 42.3488 180.2373 67 G 3.8117 8.9609 105.8523 47.9620 0.0000 176.0351 68 K 4.2079 8.1562 120.1404 58.2062 32.3448 178.9532 69 S 4.3564 8.3606 114.2919 58.6667 62.7020 175.1397 70 G 3.9267 7.8855 109.5405 46.3005 0.0000 174.7337 71 K 3.8060 7.8258 119.4647 58.0787 32.2176 176.8678 72 Y 4.7686 7.4034 114.1866 56.5399 40.4594 174.9038 73 H 4.8178 9.2026 118.4762 57.5060 30.0346 175.7717 74 A 4.9444 7.8732 118.0576 50.7159 22.6868 175.1014 75 I 4.9231 8.8226 115.4602 58.9296 40.7533 174.6465 76 V 4.6378 8.8692 125.6919 60.1146 33.8747 174.1134 77 C 5.0684 9.0743 123.0393 57.8985 30.6091 172.8006 78 L 5.5318 8.0700 123.5478 52.1139 44.8768 175.8027 79 G 4.3331 8.0567 107.3452 46.3642 0.0000 171.9246 80 A 5.2740 8.5516 121.4437 50.5789 22.1444 176.2829 81 V 4.2713 9.1972 123.2638 59.9103 33.5237 175.2153 82 V 4.2917 8.4493 119.5266 60.6496 32.6100 177.6929 83 K 3.5751 8.5062 127.2189 56.7216 29.1336 176.9956 84 G 3.7852 8.5495 113.2220 47.2774 0.0000 171.5971 85 D 4.6227 7.7718 117.2281 54.6236 43.6360 177.6394 86 T 4.2740 8.4475 114.4990 61.2973 70.7691 176.1007 87 S 4.8700 8.5531 117.0492 60.1179 62.6124 175.2635 88 H 3.8805 7.9220 122.3363 60.1610 29.4263 175.2756 89 Y 4.1566 8.2297 120.4274 61.3980 38.5867 177.7103 90 D 4.2002 8.4800 118.1658 58.0544 41.0917 178.6637 91 A 3.8614 8.2684 120.0154 55.9549 18.2882 179.4486 92 V 3.6168 8.4501 115.6110 66.0111 31.6107 178.3517 93 V 3.4688 8.0535 117.9445 66.4369 31.2025 177.7678 94 N 4.2413 8.8277 116.3367 56.3259 38.3501 177.2113 95 S 3.9541 8.1642 116.0537 62.1211 63.0105 176.4201 96 A 3.9324 8.6665 123.5483 55.3325 18.0236 179.1189 97 S 4.2537 8.7081 110.4034 61.7938 62.5080 176.5421 98 S 4.1171 8.9298 116.2790 61.6550 62.0993 176.1664 99 G 3.6248 8.5424 108.4531 48.1695 0.0000 175.3424 100 V 3.6775 8.0007 121.0358 65.8773 31.4777 177.4104 101 L 3.9444 8.1678 119.9143 57.6226 41.8073 178.7318 102 S 4.0842 8.8203 114.7700 62.0964 63.0530 176.5204 103 A 4.0956 8.6194 123.2775 55.2889 17.9863 179.4843 104 G 4.3298 8.3224 102.9106 47.8100 0.0000 175.4445 105 L 4.0269 7.7919 120.0987 57.5893 41.8040 179.1116 106 N 4.5113 8.6125 115.5262 56.3930 38.6155 177.3921 107 S 4.3891 8.7343 114.6020 58.9770 63.3657 175.3907 108 G 3.9758 8.0799 109.4186 45.6628 0.0000 172.8249 109 V 4.5449 7.8166 120.0996 59.8400 34.3381 173.2294 110 P 4.5201 0.0000 0.0000 63.2403 32.3165 174.7769 111 C 5.2368 8.5779 122.2410 57.7924 30.6653 173.8211 112 V 3.7292 8.8466 125.9246 62.5701 32.3089 175.3921 113 F 4.1147 8.9980 131.5489 56.4636 37.9006 175.5166 114 G 4.1807 8.7588 118.7379 44.1511 0.0000 170.7544 115 V 4.8142 6.3704 116.9611 59.5861 34.3881 177.2796 116 L 4.4309 8.9116 125.8192 54.1624 42.9466 177.1350 117 T 5.3471 7.9247 111.9682 60.3810 68.2146 173.1272 118 C 4.3048 8.1758 119.3003 60.4556 30.2179 174.6473 119 D 4.4922 9.0044 120.0608 56.0248 39.5999 176.7369 120 N 4.7383 9.5530 116.3441 51.8487 39.4649 175.7852 121 M 3.9751 8.8286 119.7107 59.2077 32.2288 177.8118 122 D 4.3653 8.2227 117.2826 57.7780 41.0136 178.1458 123 Q 4.0032 8.7118 116.8754 59.0129 29.0452 178.6244 124 A 4.1592 7.7290 120.6049 55.5340 18.3499 179.4548 125 I 3.7723 8.0582 118.1734 65.1650 37.1957 178.2808 126 N 4.4250 8.1274 116.6339 56.1838 38.3805 177.5076 127 R 4.0331 8.6757 119.1391 57.4972 30.9302 176.8371 128 A 4.4441 7.5700 123.7842 51.3807 18.2375 177.4715 129 G 3.9184 8.9924 106.1677 45.7391 0.0000 173.9376 130 G 4.1970 7.8378 111.1368 44.1710 0.0000 175.4951 131 K 4.1579 8.3039 120.4423 58.1288 32.5976 177.2686 132 A 4.4781 7.9911 121.5029 51.8037 20.0455 178.5398 133 G 3.7265 8.7447 105.1997 45.3946 0.0000 172.9705 134 N 5.7865 8.0539 119.1262 49.9986 41.3851 175.5255 135 K 4.1394 8.1681 131.2503 58.9357 32.3014 177.9578 136 G 3.7420 8.2300 104.9321 48.0877 0.0000 174.8313 137 A 3.7763 8.3846 123.4177 54.5872 17.9348 179.2697 138 E 3.7331 8.0276 116.7644 59.8263 29.2030 179.8170 139 S 3.9955 8.5479 114.9239 61.5674 62.8236 176.4707 140 A 3.4131 7.6007 123.0673 54.8887 17.9106 179.0248 141 L 3.3467 7.4622 118.4291 58.7014 42.0293 179.4797 142 T 3.6807 7.9913 115.3289 66.4012 68.2746 176.1216 143 A 3.8966 8.0400 123.0166 55.8722 18.2847 179.0993 144 I 3.6509 7.6103 117.7854 64.6756 37.1153 177.7408 145 E 3.8336 8.4541 119.4100 59.9783 29.5155 179.4785 146 M 3.8546 8.4488 118.3005 58.3538 31.7894 178.1631 147 A 3.8575 7.8877 119.7269 55.3135 18.7517 178.9246 148 S 4.2459 7.8659 110.8359 61.6386 62.3535 176.1721 149 L 3.9994 8.3300 123.0264 58.6813 41.7658 179.0426 150 F 4.4335 8.7617 117.3268 59.2327 39.8699 174.7938 151 E 5.1798 8.0043 118.2792 52.8476 28.6939 173.7947 152 H 4.8521 7.8200 129.0260 56.8025 32.4403 174.6187 153 H 4.4868 9.0958 113.8722 57.1669 29.0945 175.2443 154 L 3.4270 6.9001 121.5621 54.3220 42.5578 174.1234 155 K 4.1260 7.5264 120.5868 56.8045 32.7080 175.9209 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 8.29 4.38 0.00 1.98 2.09 0.00 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.60 0.00 2 N 8.06 4.49 0.00 2.91 2.79 0.00 0.00 6.33 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 E 9.33 3.98 0.00 1.97 1.97 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 2.31 2.33 0.00 4 L 8.14 4.40 0.00 1.68 1.83 0.96 0.97 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 5 E 8.02 4.53 0.00 1.79 1.58 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 2.03 2.17 0.00 6 G 8.14 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 7 Y 8.85 4.74 0.00 2.98 2.89 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 8 V 8.57 4.07 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 0.96 0.00 0.00 0.89 0.00 0.00 9 T 8.18 4.20 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 1.25 0.00 0.00 10 K 7.95 4.40 0.00 1.95 1.89 0.00 1.72 0.00 0.00 1.73 0.00 0.00 3.35 0.00 0.00 3.59 0.00 0.00 0.00 0.00 1.62 1.85 7.81 11 A 8.15 4.31 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 12 Q 7.71 3.47 0.00 2.32 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.85 6.84 0.00 0.00 0.00 0.00 0.00 2.42 2.38 0.00 13 S 8.00 4.09 0.00 3.62 3.90 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 0.00 0.00 0.00 14 F 8.59 4.26 0.00 2.64 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 0.00 0.00 0.00 0.00 15 R 8.37 4.57 0.00 1.83 1.64 0.00 3.11 0.00 0.00 3.18 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.76 0.00 16 F 8.98 5.82 0.00 2.48 2.65 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 17 A 8.30 4.73 0.15 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 0.00 0.00 18 I 8.86 4.82 1.74 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 1.17 0.93 0.74 0.00 0.00 19 V 8.60 4.60 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 0.97 0.00 0.00 0.82 0.00 0.00 20 V 8.80 5.29 1.75 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 0.67 0.00 0.00 -0.62 0.00 0.00 21 A 8.46 5.67 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 22 R 8.97 4.25 0.00 1.98 2.03 0.00 3.13 0.00 0.00 3.10 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.36 0.00 23 F 8.26 4.10 0.00 3.32 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 24 N 8.44 4.33 0.00 3.26 3.07 0.00 0.00 6.72 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 25 E 8.06 4.49 0.00 2.32 2.04 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 2.36 2.28 0.00 26 F 8.34 3.97 0.00 3.10 3.15 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 27 V 8.50 4.11 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 1.02 0.00 0.00 1.16 0.00 0.00 28 T 8.01 3.86 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 1.36 0.00 0.00 29 R 8.50 4.05 0.00 2.17 1.99 0.00 3.37 0.00 0.00 3.26 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.92 0.00 30 R 7.96 3.82 0.00 2.06 1.93 0.00 3.25 0.00 0.00 3.19 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.50 0.00 31 L 8.19 3.85 0.00 1.87 1.71 0.92 0.87 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 32 M 8.64 3.86 0.00 2.12 1.82 0.00 0.00 0.00 0.00 0.00 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.60 0.00 33 E 8.68 4.08 0.00 2.16 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 2.36 2.58 0.00 34 G 8.36 3.47 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 0.00 35 A 7.80 3.66 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 36 L 8.28 4.07 0.00 1.98 1.71 1.01 1.11 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 37 D 8.60 4.40 0.00 2.79 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 38 T 8.03 3.88 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 0.75 0.00 0.00 39 F 7.52 4.31 0.00 3.36 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 40 K 8.17 4.19 0.00 2.01 1.94 0.00 1.79 0.00 0.00 1.79 0.00 0.00 2.99 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.58 1.67 7.81 41 K 8.56 3.84 0.00 2.06 2.29 0.00 1.95 0.00 0.00 1.79 0.00 0.00 3.03 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.47 1.49 7.81 42 Y 8.70 4.30 0.00 3.31 3.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 S 8.20 3.82 0.00 4.13 4.01 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 44 V 7.85 3.96 2.41 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 0.90 0.00 0.00 1.28 0.00 0.00 45 N 8.31 4.72 0.00 2.75 2.75 0.00 0.00 6.95 7.53 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 46 E 9.05 4.50 0.00 1.92 1.84 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 2.13 2.23 0.00 47 D 8.85 4.29 0.00 2.78 2.69 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 48 I 6.47 3.57 1.71 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 1.40 1.53 0.52 0.00 0.00 49 D 8.76 4.65 0.00 2.62 2.65 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 50 V 8.36 4.63 1.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.60 0.00 0.00 0.91 0.00 0.00 51 V 8.82 4.28 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 1.06 0.00 0.00 0.86 0.00 0.00 52 W 8.86 5.21 0.00 3.25 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 53 V 9.10 4.71 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 0.82 0.00 0.00 1.06 0.00 0.00 54 P 0.00 4.35 0.00 2.21 2.37 0.00 3.72 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 2.33 2.05 0.00 55 G 8.22 4.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 A 8.65 3.94 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 57 Y 8.32 3.93 0.00 3.01 2.99 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 58 E 8.71 4.12 0.00 2.40 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 2.42 2.50 0.00 59 L 7.73 3.98 0.00 1.72 1.69 0.79 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 60 G 7.86 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 61 V 7.72 3.67 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 0.84 0.00 0.00 1.00 0.00 0.00 62 T 7.79 3.83 4.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 63 A 8.55 3.91 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 64 Q 8.38 3.88 0.00 2.22 2.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.71 0.00 0.00 0.00 0.00 0.00 2.38 2.50 0.00 65 A 8.85 4.01 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 L 8.26 4.14 0.00 1.74 1.70 0.70 0.93 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 67 G 8.96 3.81 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 0.00 0.00 0.00 0.00 0.00 0.00 68 K 8.16 4.21 0.00 1.96 1.92 0.00 1.73 0.00 0.00 1.77 0.00 0.00 3.09 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.50 1.47 7.81 69 S 8.36 4.36 0.00 4.08 4.19 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 70 G 7.89 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 0.00 0.00 0.00 71 K 7.83 3.81 0.00 0.79 1.21 0.00 1.60 0.00 0.00 1.59 0.00 0.00 2.82 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.25 1.37 7.81 72 Y 7.40 4.77 0.00 2.93 2.99 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 73 H 9.20 4.82 0.00 2.83 3.45 0.00 5.89 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 A 7.87 4.94 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 0.00 0.00 0.00 0.00 0.00 75 I 8.82 4.92 1.78 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 1.27 1.46 0.77 0.00 0.00 76 V 8.87 4.64 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 0.88 0.00 0.00 0.83 0.00 0.00 77 C 9.07 5.07 0.00 2.69 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 78 L 8.07 5.53 0.00 1.39 1.40 0.79 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 79 G 8.06 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 0.00 0.00 0.00 0.00 80 A 8.55 5.27 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 81 V 9.20 4.27 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 0.84 0.00 0.00 0.88 0.00 0.00 82 V 8.45 4.29 2.32 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 0.76 0.00 0.00 1.06 0.00 0.00 83 K 8.51 3.58 0.00 0.79 1.45 0.00 0.90 0.00 0.00 1.54 0.00 0.00 2.80 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.09 0.67 7.81 84 G 8.55 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 85 D 7.77 4.62 0.00 2.63 2.41 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 86 T 8.45 4.27 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 1.24 0.00 0.00 87 S 8.55 4.87 0.00 4.29 4.21 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 88 H 7.92 3.88 0.00 3.29 3.43 0.00 5.62 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 89 Y 8.23 4.16 0.00 3.12 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 90 D 8.48 4.20 0.00 2.90 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 91 A 8.27 3.86 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 92 V 8.45 3.62 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 0.94 0.00 0.00 1.03 0.00 0.00 93 V 8.05 3.47 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 0.91 0.00 0.00 0.10 0.00 0.00 94 N 8.83 4.24 0.00 2.84 2.79 0.00 0.00 7.06 6.90 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 95 S 8.16 3.95 0.00 3.77 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 96 A 8.67 3.93 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 97 S 8.71 4.25 0.00 3.71 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 98 S 8.93 4.12 0.00 3.81 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 99 G 8.54 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 V 8.00 3.68 2.45 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 1.10 0.00 0.00 0.98 0.00 0.00 101 L 8.17 3.94 0.00 1.85 1.71 0.89 0.79 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 0.00 102 S 8.82 4.08 0.00 3.98 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 0.00 103 A 8.62 4.10 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 0.00 104 G 8.32 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 0.00 0.00 0.00 0.00 105 L 7.79 4.03 0.00 1.81 1.76 0.94 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 106 N 8.61 4.51 0.00 2.70 2.90 0.00 0.00 7.19 8.17 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 0.00 107 S 8.73 4.39 0.00 4.02 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 0.00 108 G 8.08 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 0.00 109 V 7.82 4.54 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 1.12 0.00 0.00 110 P 0.00 4.52 0.00 1.94 1.73 0.00 3.69 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 1.35 0.00 111 C 8.58 5.24 0.00 2.94 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 0.00 112 V 8.85 3.73 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 0.83 0.00 0.00 0.88 0.00 0.00 113 F 9.00 4.11 0.00 3.05 2.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 G 8.76 4.18 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 0.00 0.00 0.00 115 V 6.37 4.81 1.78 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 -0.86 0.00 0.00 0.72 0.00 0.00 116 L 8.91 4.43 0.00 1.63 1.66 0.94 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 117 T 7.92 5.35 4.32 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 1.28 0.00 0.00 118 C 8.18 4.30 0.00 2.97 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 0.00 119 D 9.00 4.49 0.00 2.68 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 0.00 120 N 9.55 4.74 0.00 2.89 2.91 0.00 0.00 6.76 8.17 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 0.00 121 M 8.83 3.98 0.00 2.13 2.12 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 2.61 0.00 122 D 8.22 4.37 0.00 2.74 2.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 Q 8.71 4.00 0.00 2.14 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.70 0.00 0.00 0.00 0.00 0.00 2.41 2.64 0.00 124 A 7.73 4.16 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 0.00 0.00 125 I 8.06 3.77 2.04 0.00 0.00 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 1.83 1.54 1.03 0.00 0.00 126 N 8.13 4.43 0.00 3.01 2.87 0.00 0.00 7.03 7.24 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 0.00 127 R 8.68 4.03 0.00 1.91 1.98 0.00 3.28 0.00 0.00 3.18 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.81 0.00 128 A 7.57 4.44 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 0.00 129 G 8.99 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 0.00 0.00 0.00 130 G 7.84 4.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 131 K 8.30 4.16 0.00 1.83 1.94 0.00 1.59 0.00 0.00 1.71 0.00 0.00 3.04 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.65 1.39 7.81 132 A 7.99 4.48 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 0.00 133 G 8.74 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 134 N 8.05 5.79 0.00 2.71 2.60 0.00 0.00 6.78 6.55 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 0.00 135 K 8.17 4.14 0.00 1.83 1.75 0.00 1.84 0.00 0.00 1.73 0.00 0.00 3.20 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.46 1.36 7.81 136 G 8.23 3.74 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 0.00 0.00 0.00 137 A 8.38 3.78 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 0.00 138 E 8.03 3.73 0.00 2.11 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 0.00 2.26 2.43 0.00 139 S 8.55 4.00 0.00 3.84 3.80 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 0.00 140 A 7.60 3.41 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 141 L 7.46 3.35 0.00 1.42 1.64 0.71 0.07 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 0.00 142 T 7.99 3.68 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 1.12 0.00 0.00 143 A 8.04 3.90 1.20 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 0.00 0.00 144 I 7.61 3.65 1.95 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 1.34 0.43 0.93 0.00 0.00 145 E 8.45 3.83 0.00 1.93 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 2.24 2.31 0.00 146 M 8.45 3.85 0.00 1.65 2.06 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.70 0.00 147 A 7.89 3.86 1.13 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 0.00 148 S 7.87 4.25 0.00 3.85 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 149 L 8.33 4.00 0.00 1.86 2.04 0.95 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 150 F 8.76 4.43 0.00 3.44 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 0.00 151 E 8.00 5.18 0.00 2.24 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 2.37 0.00 152 H 7.82 4.85 0.00 3.38 3.68 0.00 5.71 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 0.00 153 H 9.10 4.49 0.00 3.32 3.72 0.00 5.96 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 154 L 6.90 3.43 0.00 1.77 1.62 0.85 0.68 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 0.00 155 K 7.53 4.13 0.00 1.82 1.69 0.00 1.53 0.00 0.00 1.73 0.00 0.00 3.13 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.27 1.41 7.81