NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.2516 8.4045 120.3172 54.8973 33.4895 176.4706 2 K 4.1167 7.9056 120.5223 53.3878 32.6081 176.9525 3 R 4.8288 8.9868 124.1634 53.2677 34.0716 175.7337 4 L 4.2359 8.6213 121.2097 56.5103 42.0286 176.8440 5 E 4.7763 7.6313 117.5046 53.6825 32.6377 175.1633 6 T 4.2614 8.2937 116.6364 60.8583 70.8759 175.1185 7 L 3.1952 7.9431 124.3009 58.2782 41.9940 179.2310 8 E 3.8633 7.9281 117.8101 59.4980 29.4645 179.1018 9 S 4.1194 8.0942 113.0259 61.4176 62.3503 176.3443 10 I 3.8689 7.7238 122.3395 64.5409 36.8367 178.4896 11 L 3.9343 8.2193 120.1180 57.5408 41.2482 179.3080 12 E 3.9237 8.2996 119.5289 59.2816 29.6260 178.8783 13 R 4.0133 8.1937 118.1711 59.1548 30.0135 178.8296 14 L 3.6225 8.2718 120.4807 58.0676 42.1054 178.8335 15 R 3.8453 8.1446 118.8618 59.9484 29.9455 178.3662 16 M 4.1256 8.3858 118.5560 58.4315 31.9713 178.7330 17 S 4.3061 8.4033 113.4328 61.1824 62.5437 176.3537 18 I 3.6743 8.1827 123.0876 64.1598 36.8682 178.2419 19 K 3.9042 8.0020 120.4781 59.4094 31.8196 178.5777 20 K 3.9620 7.8722 118.7346 59.4167 32.1518 177.4792 21 N 4.8596 8.0266 113.6750 52.5704 38.6143 175.5608 22 G 3.8423 7.7089 108.0430 46.3143 0.0000 174.0269 23 L 4.3993 7.9173 122.3489 53.5596 43.4457 176.3692 24 K 4.5579 7.9802 120.6153 52.4435 33.6629 173.7528 25 N 4.4230 8.6346 121.2909 53.1857 39.1652 175.1271 26 S 4.6309 8.1021 115.0620 55.8203 67.2779 175.4962 27 K 3.9299 8.6406 124.0427 59.5076 31.8716 179.3232 28 Q 3.9174 7.9774 119.5022 59.2028 28.9088 178.2179 29 R 3.8401 8.0512 119.6681 59.4957 30.0654 178.3694 30 E 3.9204 7.9376 118.4791 59.2343 29.3929 178.9475 31 E 3.9010 8.4803 119.9904 59.0591 29.7111 178.9773 32 V 3.5421 7.8816 118.4107 65.9690 31.5297 178.1679 33 V 3.6098 7.5306 117.6829 66.2075 31.3780 178.2347 34 S 4.1523 8.2436 114.9568 61.4166 62.4276 176.6254 35 V 3.6245 8.0190 120.3829 66.1957 31.6565 177.8392 36 L 4.1578 7.9151 118.4293 57.8993 41.3393 178.6556 37 Y 3.9846 8.4656 119.9298 60.9964 38.5019 178.4872 38 R 4.2029 8.1562 117.0120 57.3541 30.6510 176.9361 39 S 4.3534 7.3562 113.6977 57.8101 62.9720 173.8203 40 G 3.9370 8.5547 114.7445 45.7451 0.0000 172.8985 41 T 4.7002 7.5777 114.3346 60.6551 70.0783 171.3665 42 H 5.1279 8.8810 116.7122 54.3000 31.0790 173.8684 43 L 5.1448 8.8620 123.3739 52.9259 44.4954 176.4188 44 S 4.8712 9.0948 117.5022 57.3579 64.5256 173.3777 45 P 4.0614 0.0000 0.0000 65.8629 30.8424 178.7322 46 E 3.9759 8.2028 116.7029 59.6217 29.4650 179.1646 47 E 4.0786 8.1622 118.2159 59.4813 29.5297 179.4617 48 I 3.7307 7.9458 119.9038 64.6338 37.0319 178.6604 49 T 3.8573 8.0765 116.5932 66.8072 68.0558 176.1396 50 H 4.1298 8.1167 117.2080 59.2786 29.1129 177.5533 51 S 4.3004 8.0783 116.4254 61.8214 62.7291 176.9239 52 I 3.7560 7.8424 122.3864 64.3315 36.3335 178.2252 53 R 4.8390 8.2232 119.0488 57.4650 29.6552 178.5171 54 Q 4.1990 8.0399 120.4104 58.2486 28.7625 177.3985 55 K 4.3070 7.9300 119.6506 55.1371 33.7065 180.3856 56 D 4.8318 7.9178 121.3176 51.5472 41.4512 176.0178 57 K 4.1968 8.4569 125.3267 58.5255 32.3435 177.7931 58 N 4.8273 8.0886 114.1736 53.3371 38.5406 175.0304 59 T 4.0057 7.7412 115.6785 63.5939 69.4041 173.8585 60 S 4.6954 8.3269 120.0239 56.8112 64.1623 174.8183 61 I 3.8742 8.2590 125.8971 63.9023 37.7811 178.3059 62 S 4.2027 7.9744 115.7903 61.4800 62.6610 176.7504 63 S 4.1646 7.9584 117.3869 61.1155 62.7733 176.7145 64 V 3.5501 7.6791 121.4199 65.8371 31.2923 177.3519 65 Y 3.7536 8.2608 116.5608 61.0216 37.8686 178.5470 66 R 3.9610 8.0352 119.4144 59.6360 30.0910 178.4451 67 I 3.7268 7.7955 119.3309 64.5053 37.0917 178.3857 68 L 3.8034 8.2108 120.0678 57.8034 41.3483 179.3574 69 N 4.4121 8.5800 116.8044 56.1961 38.4751 177.2306 70 F 4.0858 8.2243 121.6513 61.4602 39.5174 177.0824 71 L 4.1769 8.4220 119.0535 57.8855 41.5163 179.4629 72 E 4.2674 8.5368 117.8946 59.1741 29.5687 179.2454 73 K 4.0658 8.0012 118.8433 58.9629 32.7239 178.0132 74 E 4.2301 7.7027 117.6885 55.2603 29.5364 175.6245 75 N 4.2437 7.5936 114.5879 54.4695 36.6545 175.4699 76 F 4.5867 8.4382 120.0219 59.3377 40.1573 175.6050 77 I 5.2716 7.7643 109.8677 59.3495 41.0194 174.6797 78 S 5.0374 9.4098 119.0073 56.7086 66.0914 173.5108 79 V 4.2926 8.2583 121.8453 59.6632 33.7733 174.4854 80 L 4.5869 8.7224 125.4866 53.2899 44.4884 174.5664 81 E 5.2424 8.7745 125.7645 54.8203 31.7288 175.4293 82 T 4.8866 8.7198 113.6982 59.8978 72.3427 175.1823 83 S 4.1052 8.8915 117.6047 61.4522 63.3220 175.8012 84 K 4.0960 8.2112 121.2475 58.6909 32.0599 177.3996 85 S 4.5200 8.3245 110.8311 57.2330 64.5565 176.0220 86 G 3.8317 8.1799 110.9364 45.7618 0.0000 171.9577 87 R 4.7810 8.5100 119.5978 55.6164 31.3129 176.5565 88 R 4.9727 8.9015 122.0556 54.6648 34.7322 173.8631 89 Y 5.3377 9.2373 119.2611 56.4973 41.9895 174.4476 90 E 5.0159 9.0576 118.4926 54.7113 33.6576 174.1915 91 I 4.1799 8.3145 120.9954 61.3078 38.1356 175.8908 92 A 4.2366 9.0218 130.2239 53.1436 18.9650 178.4141 93 A 4.3783 7.6143 120.5190 51.2337 17.2171 176.5405 94 K 4.8507 7.2389 119.8479 53.4100 36.8464 176.8388 95 E 3.9849 8.7148 122.0967 56.4158 30.0393 176.3478 96 H 4.1086 8.6051 124.0624 57.0931 30.3444 173.8515 97 H 4.6110 7.6319 119.8881 54.7719 31.6283 171.9637 98 D 4.6677 8.0770 119.7392 52.7260 44.3323 174.6136 99 H 5.3765 8.2246 114.6376 54.5292 33.0113 172.9727 100 I 4.9127 9.1852 123.4588 59.7581 39.7357 174.7596 101 I 5.0153 8.6542 126.8749 59.5533 41.0914 174.0728 102 C 4.9210 9.1024 128.4329 59.0842 31.9473 174.3172 103 L 4.2597 9.6328 127.1209 57.5311 41.3169 177.8909 104 H 4.5760 8.5768 117.8731 57.6837 30.3825 175.2468 105 C 4.4670 8.0920 111.4677 57.2687 30.6511 175.1350 106 G 3.8908 8.2910 108.6904 45.0421 0.0000 173.7560 107 K 4.0560 7.4392 121.5288 56.9429 33.3754 175.3278 108 I 4.9497 8.3497 126.5757 59.5808 39.7572 174.7885 109 I 4.5828 8.9912 127.6444 59.5401 39.8281 174.8131 110 E 4.9329 8.8735 126.4945 55.8303 30.8516 175.7030 111 F 5.0727 8.4670 116.4534 55.5434 42.0066 173.4198 112 A 4.7358 8.6876 121.4144 50.6276 21.5154 175.4168 113 D 4.7830 8.8210 122.6058 52.4017 42.1871 174.5324 114 P 4.2683 0.0000 0.0000 66.0134 31.2786 178.3246 115 E 4.0793 8.1580 116.4699 59.3693 29.4106 179.3813 116 I 3.7249 8.2915 119.9909 64.3552 36.8310 178.2002 117 E 3.9290 8.4642 119.7292 59.5475 29.3402 179.0394 118 N 4.3103 8.7117 117.3278 56.6628 38.9320 176.9090 119 R 3.9272 8.2176 120.3588 59.4406 30.1200 178.4856 120 Q 3.9912 8.2574 117.9896 58.9196 28.7779 178.5149 121 N 4.3208 7.8794 117.0570 56.4053 38.3926 177.1907 122 E 3.9770 8.0045 118.5970 59.4269 29.9312 179.3874 123 V 3.7840 8.0664 118.3229 66.2375 31.7102 178.5797 124 V 3.9637 7.9379 111.7649 63.8714 31.3002 178.4382 125 K 4.0342 7.9530 119.3997 59.2124 31.7432 178.8764 126 K 3.8613 7.7669 118.0890 58.7483 31.8925 177.7472 127 Y 4.4684 7.6775 113.7177 56.4393 38.5915 175.1478 128 Q 3.3692 7.9871 117.6143 57.0081 27.0844 173.4178 129 A 4.6689 7.9756 118.2108 50.3378 21.4952 176.9369 130 K 4.3996 8.2213 120.6722 54.2130 33.1194 175.9206 131 L 4.1348 8.4935 129.0867 55.2671 42.7049 175.2285 132 I 4.2563 8.4060 125.8163 62.3653 38.7539 175.5661 133 S 4.6704 7.5221 110.8416 57.5152 65.9305 172.0694 134 H 4.8959 8.0437 114.2665 54.1737 30.9997 172.2085 135 D 4.6880 8.5468 119.2076 52.6073 43.2689 174.4214 136 M 4.8330 8.5564 125.4969 53.8316 35.4133 173.7208 137 K 4.8695 8.8009 124.7087 54.7980 35.9705 175.3778 138 M 4.6660 8.9328 124.0322 53.4964 34.8863 174.5981 139 F 5.3264 8.7903 121.8867 56.1083 41.2457 175.3533 140 V 4.5473 8.9449 115.5389 59.7619 36.9334 173.9285 141 W 5.3828 8.4283 121.6073 55.3663 30.3759 176.8378 142 C 4.5109 8.8143 120.0243 57.0826 30.4896 174.3568 143 K 3.8813 8.8014 120.6345 60.0726 31.3449 178.0850 144 E 4.1401 8.1383 118.0574 59.6309 29.2480 178.9368 145 C 4.2652 8.0249 115.3046 62.4560 28.4173 175.4801 146 Q 4.1757 7.9026 118.1727 56.8276 28.6781 176.5431 147 E 4.0029 7.2273 119.5972 56.4283 30.0025 176.9271 148 S 4.3152 8.5036 118.2511 58.1539 63.1034 173.5476 149 E 4.3723 8.6111 122.7360 56.6175 30.3551 176.3204 150 S 4.3699 7.9841 121.2759 58.7979 63.0968 173.7329 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 8.40 4.25 0.00 1.96 2.12 0.00 0.00 0.00 0.00 0.00 -0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.58 0.00 2 K 7.91 4.12 0.00 1.85 1.61 0.00 1.74 0.00 0.00 1.71 0.00 0.00 2.88 0.00 0.00 2.68 0.00 0.00 0.00 0.00 1.34 1.09 7.81 3 R 8.99 4.83 0.00 1.74 1.75 0.00 2.72 0.00 0.00 2.94 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.71 0.00 4 L 8.62 4.24 0.00 1.64 1.74 0.92 0.78 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 5 E 7.63 4.78 0.00 1.94 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 2.27 2.33 0.00 6 T 8.29 4.26 4.40 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 1.24 0.00 0.00 7 L 7.94 3.20 0.00 0.27 1.23 0.57 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 8 E 7.93 3.86 0.00 2.05 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 2.36 2.37 0.00 9 S 8.09 4.12 0.00 3.91 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 0.00 10 I 7.72 3.87 2.04 0.00 0.00 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 1.78 0.81 1.14 0.00 0.00 11 L 8.22 3.93 0.00 1.73 1.65 0.84 0.67 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 12 E 8.30 3.92 0.00 2.09 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 2.32 2.41 0.00 13 R 8.19 4.01 0.00 2.39 2.25 0.00 3.21 0.00 0.00 3.13 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.93 0.00 14 L 8.27 3.62 0.00 1.25 1.60 0.49 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 15 R 8.14 3.85 0.00 1.99 2.07 0.00 3.14 0.00 0.00 3.15 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.81 0.00 16 M 8.39 4.13 0.00 2.11 2.29 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.97 0.00 17 S 8.40 4.31 0.00 4.28 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 0.00 18 I 8.18 3.67 1.98 0.00 0.00 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.56 0.82 0.00 0.00 19 K 8.00 3.90 0.00 1.85 1.82 0.00 1.64 0.00 0.00 1.58 0.00 0.00 2.90 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.45 1.45 7.81 20 K 7.87 3.96 0.00 1.93 2.12 0.00 1.88 0.00 0.00 1.76 0.00 0.00 3.05 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.51 1.53 7.81 21 N 8.03 4.86 0.00 3.00 2.95 0.00 0.00 7.07 7.64 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 22 G 7.71 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 23 L 7.92 4.40 0.00 1.59 1.45 0.47 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 24 K 7.98 4.56 0.00 1.75 1.57 0.00 1.83 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.26 0.99 7.81 25 N 8.63 4.42 0.00 2.66 2.75 0.00 0.00 6.83 7.57 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 26 S 8.10 4.63 0.00 3.93 3.82 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 27 K 8.64 3.93 0.00 1.88 1.87 0.00 1.79 0.00 0.00 1.74 0.00 0.00 2.84 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.53 1.07 7.81 28 Q 7.98 3.92 0.00 2.08 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.91 0.00 0.00 0.00 0.00 0.00 2.39 2.39 0.00 29 R 8.05 3.84 0.00 1.83 1.96 0.00 2.98 0.00 0.00 3.02 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.61 0.00 30 E 7.94 3.92 0.00 2.10 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 2.24 2.42 0.00 31 E 8.48 3.90 0.00 2.16 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 2.29 2.35 0.00 32 V 7.88 3.54 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 0.86 0.00 0.00 0.93 0.00 0.00 33 V 7.53 3.61 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 1.07 0.00 0.00 0.91 0.00 0.00 34 S 8.24 4.15 0.00 4.02 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 35 V 8.02 3.62 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 0.85 0.00 0.00 0.96 0.00 0.00 36 L 7.92 4.16 0.00 1.97 1.76 0.95 0.84 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 37 Y 8.47 3.98 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 38 R 8.16 4.20 0.00 2.10 2.03 0.00 3.25 0.00 0.00 3.20 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.91 0.00 39 S 7.36 4.35 0.00 3.99 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 40 G 8.55 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 T 7.58 4.70 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 1.23 0.00 0.00 42 H 8.88 5.13 0.00 3.00 3.20 0.00 5.91 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 L 8.86 5.14 0.00 1.63 1.59 0.95 1.01 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 44 S 9.09 4.87 0.00 3.98 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 45 P 0.00 4.06 0.00 2.04 1.42 0.00 3.68 0.00 0.00 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.95 0.00 46 E 8.20 3.98 0.00 2.06 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 2.45 2.50 0.00 47 E 8.16 4.08 0.00 2.23 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 2.39 2.41 0.00 48 I 7.95 3.73 1.93 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.01 0.85 0.00 0.00 49 T 8.08 3.86 4.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 50 H 8.12 4.13 0.00 3.36 3.36 0.00 5.66 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 51 S 8.08 4.30 0.00 4.03 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 52 I 7.84 3.76 1.98 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 1.51 1.04 0.90 0.00 0.00 53 R 8.22 4.84 0.00 2.06 1.98 0.00 3.11 0.00 0.00 3.26 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.68 0.00 54 Q 8.04 4.20 0.00 2.23 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.77 6.75 0.00 0.00 0.00 0.00 0.00 2.40 2.58 0.00 55 K 7.93 4.31 0.00 1.75 1.69 0.00 1.74 0.00 0.00 1.63 0.00 0.00 2.86 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.27 0.96 7.81 56 D 7.92 4.83 0.00 2.66 2.54 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 57 K 8.46 4.20 0.00 1.77 1.87 0.00 1.73 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.45 1.61 7.81 58 N 8.09 4.83 0.00 2.70 2.82 0.00 0.00 6.93 7.54 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 59 T 7.74 4.01 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 1.24 0.00 0.00 60 S 8.33 4.70 0.00 3.85 3.71 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 61 I 8.26 3.87 1.92 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 1.31 0.95 0.00 0.00 62 S 7.97 4.20 0.00 4.04 4.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 S 7.96 4.16 0.00 4.09 4.17 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 64 V 7.68 3.55 2.21 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 0.92 0.00 0.00 0.91 0.00 0.00 65 Y 8.26 3.75 0.00 3.16 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 66 R 8.04 3.96 0.00 1.95 2.14 0.00 3.10 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.73 0.00 67 I 7.80 3.73 1.98 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.55 0.88 0.00 0.00 68 L 8.21 3.80 0.00 1.48 1.08 0.14 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 69 N 8.58 4.41 0.00 2.96 2.96 0.00 0.00 6.67 7.73 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 70 F 8.22 4.09 0.00 3.14 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 71 L 8.42 4.18 0.00 1.79 1.85 0.92 1.05 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 72 E 8.54 4.27 0.00 2.39 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 2.42 2.51 0.00 73 K 8.00 4.07 0.00 1.92 2.12 0.00 1.59 0.00 0.00 1.73 0.00 0.00 3.06 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.40 1.33 7.81 74 E 7.70 4.23 0.00 1.80 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.62 0.00 75 N 7.59 4.24 0.00 2.69 2.78 0.00 0.00 6.91 7.05 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 76 F 8.44 4.59 0.00 3.12 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 77 I 7.76 5.27 2.15 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 0.86 1.02 0.00 0.00 78 S 9.41 5.04 0.00 3.72 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 79 V 8.26 4.29 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 0.61 0.00 0.00 0.30 0.00 0.00 80 L 8.72 4.59 0.00 1.49 1.48 0.70 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 81 E 8.77 5.24 0.00 1.85 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 0.00 2.12 2.19 0.00 82 T 8.72 4.89 4.57 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 1.39 0.00 0.00 83 S 8.89 4.11 0.00 3.98 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 84 K 8.21 4.10 0.00 1.78 1.99 0.00 2.10 0.00 0.00 1.83 0.00 0.00 3.14 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.46 1.57 7.81 85 S 8.32 4.52 0.00 4.03 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 86 G 8.18 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 R 8.51 4.78 0.00 1.78 1.71 0.00 3.24 0.00 0.00 3.38 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.68 0.00 88 R 8.90 4.97 0.00 1.63 1.78 0.00 3.07 0.00 0.00 3.29 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.59 0.00 89 Y 9.24 5.34 0.00 2.77 2.81 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 90 E 9.06 5.02 0.00 1.95 1.91 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 2.36 2.29 0.00 91 I 8.31 4.18 1.92 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.82 0.82 0.00 0.00 92 A 9.02 4.24 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 93 A 7.61 4.38 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 94 K 7.24 4.85 0.00 1.70 1.65 0.00 1.68 0.00 0.00 1.75 0.00 0.00 2.85 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.25 1.33 7.81 95 E 8.71 3.98 0.00 1.90 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.39 0.00 96 H 8.61 4.11 0.00 3.08 3.20 0.00 5.99 0.00 0.00 0.00 0.00 6.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 H 7.63 4.61 0.00 3.02 3.04 0.00 5.54 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 98 D 8.08 4.67 0.00 1.58 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 99 H 8.22 5.38 0.00 2.98 3.06 0.00 5.78 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 0.00 100 I 9.19 4.91 2.06 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.81 0.91 0.00 0.00 101 I 8.65 5.02 1.74 0.00 0.00 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.50 1.03 0.00 0.00 102 C 9.10 4.92 0.00 3.09 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 0.00 103 L 9.63 4.26 0.00 1.85 1.89 1.11 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 104 H 8.58 4.58 0.00 2.94 3.31 0.00 5.89 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 C 8.09 4.47 0.00 3.12 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 0.00 106 G 8.29 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 0.00 0.00 0.00 107 K 7.44 4.06 0.00 1.95 1.74 0.00 1.62 0.00 0.00 1.67 0.00 0.00 2.89 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.47 1.47 7.81 108 I 8.35 4.95 1.82 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 1.27 0.93 0.76 0.00 0.00 109 I 8.99 4.58 1.92 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 1.26 0.74 0.96 0.00 0.00 110 E 8.87 4.93 0.00 1.78 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 2.26 2.33 0.00 111 F 8.47 5.07 0.00 3.02 3.05 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 0.00 112 A 8.69 4.74 1.25 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 0.00 0.00 113 D 8.82 4.78 0.00 2.92 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 P 0.00 4.27 0.00 2.21 2.12 0.00 3.69 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.23 0.00 115 E 8.16 4.08 0.00 2.15 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 0.00 116 I 8.29 3.72 2.10 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.00 0.98 0.00 0.00 117 E 8.46 3.93 0.00 2.14 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.50 0.00 118 N 8.71 4.31 0.00 2.78 2.94 0.00 0.00 6.89 7.65 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 0.00 119 R 8.22 3.93 0.00 2.04 2.05 0.00 3.32 0.00 0.00 3.18 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.72 0.00 120 Q 8.26 3.99 0.00 2.24 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.58 0.00 0.00 0.00 0.00 0.00 2.36 2.56 0.00 121 N 7.88 4.32 0.00 2.95 2.87 0.00 0.00 7.02 7.33 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 0.00 122 E 8.00 3.98 0.00 2.12 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.52 0.00 123 V 8.07 3.78 2.26 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 1.20 0.00 0.00 1.00 0.00 0.00 124 V 7.94 3.96 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 0.81 0.00 0.00 1.10 0.00 0.00 125 K 7.95 4.03 0.00 2.13 1.90 0.00 1.64 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 3.20 0.00 0.00 0.00 0.00 1.43 1.49 7.81 126 K 7.77 3.86 0.00 1.67 1.33 0.00 1.66 0.00 0.00 1.51 0.00 0.00 2.94 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.35 1.57 7.81 127 Y 7.68 4.47 0.00 2.94 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 0.00 128 Q 7.99 3.37 0.00 2.20 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.73 0.00 0.00 0.00 0.00 0.00 2.31 2.28 0.00 129 A 7.98 4.67 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 0.00 130 K 8.22 4.40 0.00 1.69 1.72 0.00 1.67 0.00 0.00 1.63 0.00 0.00 3.06 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.33 1.45 7.81 131 L 8.49 4.13 0.00 1.63 1.56 0.97 1.11 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 0.00 132 I 8.41 4.26 1.86 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 1.61 1.01 0.89 0.00 0.00 133 S 7.52 4.67 0.00 3.85 3.77 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 0.00 0.00 0.00 0.00 134 H 8.04 4.90 0.00 3.23 3.24 0.00 5.47 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 0.00 135 D 8.55 4.69 0.00 2.56 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 0.00 136 M 8.56 4.83 0.00 2.14 1.92 0.00 0.00 0.00 0.00 0.00 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.73 0.00 137 K 8.80 4.87 0.00 1.48 1.14 0.00 1.83 0.00 0.00 1.72 0.00 0.00 2.75 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.22 1.39 7.81 138 M 8.93 4.67 0.00 1.84 1.89 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.43 0.00 139 F 8.79 5.33 0.00 2.95 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 0.00 140 V 8.94 4.55 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.71 0.00 0.00 1.05 0.00 0.00 141 W 8.43 5.38 0.00 3.28 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 142 C 8.81 4.51 0.00 3.16 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 0.00 143 K 8.80 3.88 0.00 1.79 1.92 0.00 1.79 0.00 0.00 1.72 0.00 0.00 3.03 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.45 1.57 7.81 144 E 8.14 4.14 0.00 2.12 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 2.42 2.48 0.00 145 C 8.02 4.27 0.00 2.99 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 0.00 146 Q 7.90 4.18 0.00 2.29 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.79 0.00 0.00 0.00 0.00 0.00 2.64 2.73 0.00 147 E 7.23 4.00 0.00 2.14 1.91 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 2.57 2.41 0.00 148 S 8.50 4.32 0.00 3.83 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 0.00 149 E 8.61 4.37 0.00 2.10 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 2.20 2.30 0.00 150 S 7.98 4.37 0.00 3.87 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