NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 K 4.2546 8.3031 122.0292 56.3956 33.2279 175.2481 3 G 3.8101 8.5306 115.2716 43.8482 0.0000 171.3876 4 D 4.5058 9.2107 121.2618 53.9672 42.3316 175.7081 5 K 3.9930 8.9152 125.3235 59.6066 32.1465 179.6486 6 K 3.9769 8.0812 118.3481 59.1565 31.9849 179.2948 7 V 3.6731 8.4579 118.9364 66.2742 31.3535 178.1547 8 I 3.7216 7.8409 119.3629 64.3562 36.8969 178.4733 9 Q 3.9409 8.1378 118.8536 59.3589 28.5083 178.4330 10 H 4.0942 8.6569 117.4538 58.9937 28.6742 177.8873 11 L 4.0196 8.3462 121.0044 57.9405 41.4059 179.3771 12 N 4.3863 8.5071 116.6563 55.8124 38.3904 177.5677 13 K 3.9060 8.0573 121.3165 59.5440 32.3376 178.8683 14 I 3.7025 8.0087 120.4406 64.2624 36.9394 177.9789 15 L 4.0212 8.3510 121.5990 58.2241 41.9572 179.0532 16 G 3.7502 8.2091 105.5969 48.1346 0.0000 175.2269 17 N 4.3426 8.2564 118.8175 56.0752 38.4877 177.2946 18 E 3.9706 8.3391 119.9787 59.5249 29.0554 179.5098 19 L 3.9428 8.2886 119.3042 57.6421 41.5197 179.6927 20 I 3.6567 7.6165 119.1758 64.2343 37.0796 178.2800 21 A 3.2772 7.8032 121.5388 54.8259 18.1137 179.4628 22 I 3.5817 7.7442 118.5421 64.9474 37.2587 178.4633 23 N 4.3830 7.7052 115.8338 56.0694 38.2704 177.4849 24 Q 3.8517 8.2413 121.3653 59.4659 29.1217 177.8840 25 Y 4.7563 8.2241 119.5201 60.6582 37.8715 178.3815 26 F 4.0311 8.5852 121.7531 61.0841 39.4491 177.0107 27 L 4.0105 8.1687 120.0708 58.5549 41.8410 178.6579 28 H 3.8650 8.4462 116.4410 58.5970 28.4721 177.5068 29 S 4.3180 8.3672 115.2267 61.8652 62.1839 176.6591 30 R 3.8020 7.9283 120.4006 59.2675 29.7141 179.0956 31 M 3.4428 8.0559 118.9507 57.8964 31.7496 178.6650 32 W 4.5535 7.8988 119.2125 59.9891 29.1212 178.3279 33 N 4.3643 8.4554 116.4912 56.4192 37.7809 176.8931 34 D 4.3076 7.8936 118.2360 57.0928 41.3934 177.7440 35 W 4.7959 8.0154 116.7659 57.1272 29.4076 177.2290 36 G 3.9768 8.5502 108.3175 45.8727 0.0000 174.2834 37 L 4.7836 8.1276 122.0902 53.1269 40.3896 177.5714 38 K 4.0178 8.3336 121.6712 59.3348 32.4469 179.0977 39 R 3.9022 7.9990 119.1844 59.3046 29.9794 178.6209 40 L 3.9136 7.7954 118.6318 57.2328 41.5540 179.2990 41 G 3.8117 8.3105 105.6577 47.8574 0.0000 175.4708 42 A 3.9680 8.0714 123.6746 55.1537 18.5289 179.2505 43 H 3.9886 8.1948 116.7164 59.3170 29.6104 177.0267 44 E 4.0628 8.4943 121.1238 58.8217 29.5055 178.0407 45 Y 4.0506 8.0132 119.9375 61.1161 38.8803 177.7281 46 H 4.0197 8.0935 116.9894 59.0125 28.8125 177.6705 47 E 3.8816 7.9418 120.2247 59.1343 29.2009 179.2109 48 S 4.2972 8.2127 113.3347 61.5417 62.5661 176.3135 49 I 3.6099 7.6092 122.4337 64.4360 36.7872 178.1585 50 D 4.2640 8.1626 119.7314 57.4301 40.5594 178.7527 51 E 4.1612 8.2032 118.8778 59.5323 29.4203 179.2310 52 M 4.0224 8.0960 118.9114 58.3972 32.0020 178.9757 53 K 3.9926 7.9410 118.4001 59.6125 32.1939 179.1223 54 H 4.2221 8.2074 116.3050 58.9044 28.5932 177.5165 55 A 4.0136 8.2187 122.6445 55.2566 18.1691 179.1662 56 D 4.2411 8.1433 116.3081 57.5498 41.3716 178.6155 57 K 3.9982 8.0544 118.9575 59.4417 31.9462 179.3811 58 L 4.0247 8.0456 119.2369 57.7636 41.5617 179.3920 59 I 3.7108 7.9761 119.9549 64.6661 37.0796 178.3556 60 E 4.0190 8.2982 119.1899 59.3397 29.2486 179.4832 61 R 4.0143 8.1489 118.8038 59.4389 30.1402 178.4638 62 I 3.7300 8.1725 120.0791 64.5957 37.1483 178.4497 63 L 4.0091 8.0546 119.7091 57.6496 41.2100 179.2739 64 F 4.3173 8.1072 119.8766 61.1955 39.6769 176.4640 65 L 3.8784 8.0992 115.9435 54.2754 41.0676 177.0698 66 E 3.8776 7.8567 117.4358 57.3862 27.2908 174.7896 67 G 3.8953 7.9344 108.4630 44.2474 0.0000 173.7370 68 L 4.5653 7.9885 118.8797 51.9482 42.5523 175.0992 69 P 4.3397 0.0000 0.0000 62.4485 31.7510 176.0836 70 N 4.6344 8.8912 122.3901 52.5947 38.2607 174.0041 71 L 4.5633 8.3092 124.3472 54.5720 42.2619 177.3726 72 Q 4.1691 8.5080 122.0223 57.7846 29.5365 175.7968 73 D 4.6030 8.1337 117.3793 52.9152 41.7041 175.3004 74 L 4.5337 8.3014 125.8816 52.7459 43.7692 176.5378 75 G 3.7838 8.3764 116.3146 44.8900 0.0000 171.1972 76 K 4.1160 8.3626 121.0860 55.5272 32.3213 177.0793 77 L 4.0233 8.4231 127.1671 54.6812 42.0898 177.0005 78 L 4.4010 8.8294 124.6455 53.4019 40.9833 175.5222 79 I 4.3645 8.0092 124.6459 59.1079 38.2532 176.6728 80 G 3.8649 8.7816 114.8980 45.4726 0.0000 172.7450 81 E 4.5197 8.6301 117.3784 56.6007 30.7816 175.4504 82 N 5.0498 7.6664 116.6676 50.7574 41.7927 174.9934 83 T 4.4426 8.5530 116.0385 67.1782 68.5840 176.3554 84 Q 3.9658 8.2125 120.8446 59.4473 28.9743 178.0414 85 E 4.1819 8.6474 120.1014 59.3344 29.6292 178.7090 86 M 3.9255 8.3886 119.2026 58.2318 31.8841 178.6432 87 L 4.2139 8.1889 119.2108 58.0628 41.7305 179.6629 88 Q 4.0242 8.3262 117.9912 59.0766 28.6177 178.4312 89 C 4.1811 8.9357 118.6496 62.9696 28.1319 176.0126 90 D 4.6391 8.2869 120.5000 57.3403 40.3950 178.5337 91 L 3.9906 8.2589 121.0651 58.1840 42.1933 178.6928 92 N 4.3409 8.5290 116.7706 56.2905 38.5040 177.0300 93 L 4.0112 8.1508 121.6468 58.3775 42.1759 178.9703 94 E 4.1383 8.4600 118.5111 59.2443 29.5300 179.2398 95 L 4.0378 8.3751 119.6376 57.5385 41.6628 179.4380 96 K 3.9491 8.0940 119.2081 59.5199 32.1057 178.8269 97 A 4.0628 8.0432 121.0915 55.3322 18.1754 179.8448 98 T 3.8325 7.9643 114.4517 66.4414 68.6323 176.6991 99 K 3.8644 7.9226 121.2819 59.9345 32.2320 178.4948 100 D 4.4266 8.2101 118.8443 57.2474 40.6334 178.9269 101 L 3.9882 8.2184 119.6744 57.8952 41.6955 179.5101 102 R 3.9368 8.2003 118.1682 59.5319 30.0504 178.9629 103 E 3.9764 8.1956 117.6823 59.3744 29.4045 179.3306 104 A 3.7151 8.0829 120.8438 55.0454 18.3952 179.7914 105 I 3.6640 7.9699 118.5146 64.3532 37.2707 178.6761 106 V 3.5731 7.8601 119.1421 66.2826 31.3144 177.6310 107 H 4.0580 8.0774 117.6268 59.4803 29.7096 176.6519 108 C 3.8046 8.2759 119.0229 63.0900 28.1257 175.9055 109 E 3.9223 8.2815 120.4897 59.4531 28.9787 178.7238 110 Q 4.0017 7.6843 118.2077 58.4450 29.1324 177.5099 111 V 3.9368 7.1381 110.5981 60.6596 31.8452 175.6364 112 H 3.0361 7.3526 113.8230 57.1018 26.7293 176.3640 113 D 4.5011 7.3956 120.4791 53.3383 37.9295 175.8778 114 Y 4.3099 7.1205 120.9395 60.4539 38.4419 177.8765 115 V 3.7120 7.8447 119.2400 65.9922 31.6845 178.1063 116 S 4.2039 8.5868 115.1218 61.2710 62.5552 176.5543 117 R 3.8758 8.0043 121.6022 59.4085 29.8734 177.9568 118 D 4.3366 8.2456 117.8141 57.3507 41.2180 177.9473 119 L 3.9685 7.8988 120.6833 58.3075 42.0551 179.0200 120 L 4.0209 8.1657 118.9768 57.5981 41.5238 179.3923 121 K 4.0068 8.4760 120.0770 59.5922 31.9918 178.6756 122 D 4.3787 8.2222 119.2693 57.3064 40.6426 178.8401 123 I 3.5241 7.8003 120.4206 64.1337 37.0244 178.0218 124 L 3.9220 8.2924 121.6660 58.3350 41.8770 178.7056 125 E 3.9437 8.3670 119.1164 59.2733 29.5455 178.7819 126 S 4.1510 7.9305 113.1493 61.4617 62.4410 176.0399 127 E 4.1296 8.4991 121.5201 59.4561 29.1506 179.1750 128 E 4.0725 8.6664 119.1220 59.4317 29.5186 179.2334 129 E 4.0362 8.4133 118.7505 59.5216 29.4405 178.9003 130 H 4.3812 8.3506 118.5235 59.3205 29.8775 177.2837 131 I 3.7104 8.2690 122.1451 64.4316 36.9039 177.8617 132 D 4.3144 8.3930 118.8658 57.4254 41.0058 177.5360 133 Y 4.1114 8.0352 119.9113 60.8156 38.8263 178.2279 134 L 3.7300 8.1552 119.7059 57.8699 41.7787 179.4165 135 E 3.9440 8.4584 118.8361 59.6004 29.2563 179.5975 136 T 3.8136 7.9773 115.8317 66.6812 68.5047 176.7396 137 Q 3.8164 7.9373 120.2178 58.8978 28.1503 178.8889 138 L 3.8853 7.8167 120.1111 57.5864 41.6016 179.8619 139 G 3.5540 8.0626 105.7816 47.6694 0.0000 175.8240 140 L 4.0236 8.0709 121.7000 57.5795 41.6221 179.5208 141 I 3.4967 7.4544 119.7836 64.4894 36.7246 178.5204 142 Q 3.9743 7.4399 117.0857 58.7559 28.6251 178.3712 143 K 4.1745 7.9393 118.4366 58.3689 32.4195 178.8221 144 V 4.2012 8.5666 110.5974 60.0174 33.0554 177.1638 145 G 4.0393 7.6625 105.3012 45.4381 0.0000 174.4720 146 L 3.9751 8.4771 121.9011 57.9825 42.1238 179.3208 147 E 3.9761 8.1308 118.0630 59.4780 29.4353 178.9500 148 N 4.3090 8.1054 115.9588 56.3794 38.4920 176.5360 149 Y 3.9766 7.9495 119.6052 60.8094 39.1450 177.9074 150 L 4.0692 8.3584 120.1017 57.8873 41.7617 179.2318 151 Q 3.8979 8.2582 119.5301 59.3355 28.7644 178.2419 152 S 4.3025 8.0443 113.9147 60.0798 63.1319 174.4538 153 H 4.6027 7.7289 118.7114 55.6700 29.1968 176.3814 154 M 4.2901 7.9368 121.2283 57.7523 31.9374 176.1554 155 H 5.0713 7.4939 113.6991 53.7091 30.8863 174.7593 156 E 4.1313 8.6906 121.0188 56.8406 29.2509 176.9632 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 4.25 0.00 1.71 1.74 0.00 1.62 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.28 1.47 7.81 3 G 8.53 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 4 D 9.21 4.51 0.00 2.79 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 8.92 3.99 0.00 1.79 1.83 0.00 1.73 0.00 0.00 1.82 0.00 0.00 2.94 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.51 1.46 7.81 6 K 8.08 3.98 0.00 1.96 1.64 0.00 1.66 0.00 0.00 1.72 0.00 0.00 2.87 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.44 1.44 7.81 7 V 8.46 3.67 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 1.14 0.00 0.00 0.97 0.00 0.00 8 I 7.84 3.72 2.01 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 1.52 0.67 0.90 0.00 0.00 9 Q 8.14 3.94 0.00 2.20 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.78 0.00 0.00 0.00 0.00 0.00 2.34 2.37 0.00 10 H 8.66 4.09 0.00 3.30 3.37 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 8.35 4.02 0.00 1.84 1.74 0.95 0.67 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 12 N 8.51 4.39 0.00 2.96 2.85 0.00 0.00 6.67 8.80 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 13 K 8.06 3.91 0.00 1.89 1.97 0.00 1.61 0.00 0.00 1.62 0.00 0.00 2.94 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.43 1.46 7.81 14 I 8.01 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 1.72 0.71 0.92 0.00 0.00 15 L 8.35 4.02 0.00 1.77 1.91 0.92 0.96 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 16 G 8.21 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 0.00 0.00 0.00 17 N 8.26 4.34 0.00 2.95 2.88 0.00 0.00 7.07 7.10 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 18 E 8.34 3.97 0.00 2.12 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 2.52 2.54 0.00 19 L 8.29 3.94 0.00 1.77 1.67 0.90 0.68 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 20 I 7.62 3.66 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 1.42 0.81 0.89 0.00 0.00 21 A 7.80 3.28 1.08 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 0.00 0.00 22 I 7.74 3.58 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 1.66 0.72 0.87 0.00 0.00 23 N 7.71 4.38 0.00 2.79 2.82 0.00 0.00 6.75 7.42 0.00 0.00 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 8.24 3.85 0.00 2.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.80 0.00 0.00 0.00 0.00 0.00 2.44 2.25 0.00 25 Y 8.22 4.76 0.00 3.07 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 26 F 8.59 4.03 0.00 3.31 3.06 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 27 L 8.17 4.01 0.00 1.84 1.61 0.87 1.01 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 8.45 3.87 0.00 3.49 2.83 0.00 5.71 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 29 S 8.37 4.32 0.00 3.96 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 30 R 7.93 3.80 0.00 2.00 1.90 0.00 2.96 0.00 0.00 2.61 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.66 0.00 31 M 8.06 3.44 0.00 0.75 1.52 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.17 0.00 32 W 7.90 4.55 0.00 3.55 3.28 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 33 N 8.46 4.36 0.00 2.85 2.85 0.00 0.00 6.69 8.63 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 34 D 7.89 4.31 0.00 2.56 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 35 W 8.02 4.80 0.00 3.70 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 36 G 8.55 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 8.13 4.78 0.00 1.97 1.63 1.31 1.20 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 4.02 0.00 1.97 1.87 0.00 1.68 0.00 0.00 1.58 0.00 0.00 2.93 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.48 1.48 7.81 39 R 8.00 3.90 0.00 1.98 1.89 0.00 3.09 0.00 0.00 2.83 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.62 0.00 40 L 7.80 3.91 0.00 1.36 0.33 0.30 0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 41 G 8.31 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 42 A 8.07 3.97 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.19 3.99 0.00 3.35 3.27 0.00 5.78 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 44 E 8.49 4.06 0.00 2.57 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 2.74 2.69 0.00 45 Y 8.01 4.05 0.00 2.98 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 8.09 4.02 0.00 3.26 3.23 0.00 5.69 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 7.94 3.88 0.00 1.97 1.71 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 2.25 2.16 0.00 48 S 8.21 4.30 0.00 4.19 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 49 I 7.61 3.61 1.80 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.42 0.83 0.00 0.00 50 D 8.16 4.26 0.00 2.82 2.62 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 51 E 8.20 4.16 0.00 2.16 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 2.77 2.63 0.00 52 M 8.10 4.02 0.00 2.03 2.21 0.00 0.00 0.00 0.00 0.00 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.82 2.55 0.00 53 K 7.94 3.99 0.00 1.91 1.81 0.00 1.61 0.00 0.00 1.62 0.00 0.00 2.93 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.43 1.58 7.81 54 H 8.21 4.22 0.00 3.48 3.35 0.00 5.65 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 8.22 4.01 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 56 D 8.14 4.24 0.00 2.81 2.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 K 8.05 4.00 0.00 2.04 1.87 0.00 1.72 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.47 1.69 7.81 58 L 8.05 4.02 0.00 1.87 1.73 0.97 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 59 I 7.98 3.71 2.03 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 0.73 0.92 0.00 0.00 60 E 8.30 4.02 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 2.34 2.47 0.00 61 R 8.15 4.01 0.00 2.05 2.11 0.00 3.35 0.00 0.00 3.24 7.56 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 8.17 3.73 2.04 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 0.53 0.93 0.00 0.00 63 L 8.05 4.01 0.00 2.07 1.78 0.93 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 64 F 8.11 4.32 0.00 3.01 3.33 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 65 L 8.10 3.88 0.00 1.84 1.58 0.95 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 66 E 7.86 3.88 0.00 2.03 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 2.19 2.16 0.00 67 G 7.93 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 0.00 0.00 0.00 68 L 7.99 4.57 0.00 1.60 1.60 0.91 0.99 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 69 P 0.00 4.34 0.00 2.04 1.99 0.00 3.66 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 2.03 2.08 0.00 70 N 8.89 4.63 0.00 2.68 2.87 0.00 0.00 7.14 7.07 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 71 L 8.31 4.56 0.00 1.63 1.63 0.91 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 72 Q 8.51 4.17 0.00 1.96 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.49 6.74 0.00 0.00 0.00 0.00 0.00 2.31 2.35 0.00 73 D 8.13 4.60 0.00 2.69 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 74 L 8.30 4.53 0.00 1.50 1.51 0.88 1.05 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 75 G 8.38 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 4.12 0.00 1.70 1.74 0.00 1.66 0.00 0.00 1.70 0.00 0.00 3.06 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.42 1.51 7.81 77 L 8.42 4.02 0.00 1.63 1.56 0.88 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 78 L 8.83 4.40 0.00 1.75 1.69 1.02 1.12 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 79 I 8.01 4.36 1.88 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 1.33 0.78 0.90 0.00 0.00 80 G 8.78 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 81 E 8.63 4.52 0.00 2.15 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.31 0.00 82 N 7.67 5.05 0.00 2.89 2.87 0.00 0.00 6.26 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 8.55 4.44 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 1.52 0.00 0.00 84 Q 8.21 3.97 0.00 2.11 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.91 0.00 0.00 0.00 0.00 0.00 2.58 2.38 0.00 85 E 8.65 4.18 0.00 2.28 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 2.34 2.43 0.00 86 M 8.39 3.93 0.00 1.34 2.16 0.00 0.00 0.00 0.00 0.00 0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.75 2.24 0.00 87 L 8.19 4.21 0.00 1.95 1.74 0.85 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 88 Q 8.33 4.02 0.00 2.26 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.79 0.00 0.00 0.00 0.00 0.00 2.38 2.64 0.00 89 C 8.94 4.18 0.00 3.22 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 8.29 4.64 0.00 3.03 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 8.26 3.99 0.00 1.85 1.83 0.93 0.82 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 8.53 4.34 0.00 2.94 2.89 0.00 0.00 6.67 7.45 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 93 L 8.15 4.01 0.00 1.96 1.97 0.92 0.77 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 94 E 8.46 4.14 0.00 2.20 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 2.69 2.50 0.00 95 L 8.38 4.04 0.00 1.83 1.74 0.94 0.49 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 96 K 8.09 3.95 0.00 1.92 2.01 0.00 1.53 0.00 0.00 1.66 0.00 0.00 3.05 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.45 1.52 7.81 97 A 8.04 4.06 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 7.96 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 1.31 0.00 0.00 99 K 7.92 3.86 0.00 2.00 2.02 0.00 1.65 0.00 0.00 1.66 0.00 0.00 2.94 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.62 1.51 7.81 100 D 8.21 4.43 0.00 2.90 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 8.22 3.99 0.00 1.93 1.73 0.93 1.04 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 0.00 102 R 8.20 3.94 0.00 2.00 2.01 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 1.94 0.00 103 E 8.20 3.98 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 2.35 2.55 0.00 104 A 8.08 3.72 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 0.00 105 I 7.97 3.66 2.01 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 0.65 0.93 0.00 0.00 106 V 7.86 3.57 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 0.98 0.00 0.00 107 H 8.08 4.06 0.00 3.22 3.23 0.00 5.86 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 8.28 3.80 0.00 3.10 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 0.00 109 E 8.28 3.92 0.00 2.13 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 2.38 2.46 0.00 110 Q 7.68 4.00 0.00 2.09 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.88 0.00 0.00 0.00 0.00 0.00 2.26 2.34 0.00 111 V 7.14 3.94 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 0.62 0.00 0.00 0.78 0.00 0.00 112 H 7.35 3.04 0.00 3.18 3.22 0.00 5.66 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 D 7.40 4.50 0.00 2.59 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 0.00 114 Y 7.12 4.31 0.00 3.10 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 0.00 115 V 7.84 3.71 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 8.59 4.20 0.00 3.96 3.91 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 0.00 117 R 8.00 3.88 0.00 1.94 2.20 0.00 3.26 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.68 0.00 118 D 8.25 4.34 0.00 3.02 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 0.00 119 L 7.90 3.97 0.00 1.90 1.87 0.95 0.72 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 0.00 120 L 8.17 4.02 0.00 1.88 1.71 0.93 0.69 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 0.00 121 K 8.48 4.01 0.00 1.88 1.97 0.00 1.65 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.45 1.64 7.81 122 D 8.22 4.38 0.00 2.90 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 7.80 3.52 1.97 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 1.19 0.69 0.80 0.00 0.00 124 L 8.29 3.92 0.00 1.82 1.88 0.94 0.79 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 0.00 125 E 8.37 3.94 0.00 2.10 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 2.34 0.00 126 S 7.93 4.15 0.00 3.94 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 0.00 127 E 8.50 4.13 0.00 2.06 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 2.62 2.53 0.00 128 E 8.67 4.07 0.00 2.17 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 2.55 0.00 129 E 8.41 4.04 0.00 2.25 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 2.37 2.49 0.00 130 H 8.35 4.38 0.00 3.28 3.53 0.00 5.61 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 8.27 3.71 2.07 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 1.43 0.73 0.93 0.00 0.00 132 D 8.39 4.31 0.00 2.92 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 0.00 133 Y 8.04 4.11 0.00 3.18 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 0.00 134 L 8.16 3.73 0.00 2.05 1.66 1.06 0.61 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 0.00 135 E 8.46 3.94 0.00 2.02 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 2.53 0.00 136 T 7.98 3.81 4.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 137 Q 7.94 3.82 0.00 1.68 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.80 0.00 0.00 0.00 0.00 0.00 1.22 1.91 0.00 138 L 7.82 3.89 0.00 1.81 1.61 0.83 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 139 G 8.06 3.55 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 0.00 0.00 0.00 140 L 8.07 4.02 0.00 1.80 1.84 1.03 0.83 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 0.00 141 I 7.45 3.50 1.76 0.00 0.00 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 -0.25 0.79 0.00 0.00 142 Q 7.44 3.97 0.00 2.17 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.98 0.00 0.00 0.00 0.00 0.00 2.34 2.52 0.00 143 K 7.94 4.17 0.00 1.73 1.86 0.00 1.66 0.00 0.00 1.70 0.00 0.00 3.00 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.45 1.59 7.81 144 V 8.57 4.20 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 1.09 0.00 0.00 145 G 7.66 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 0.00 0.00 0.00 146 L 8.48 3.98 0.00 1.76 1.68 0.95 0.92 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 0.00 147 E 8.13 3.98 0.00 2.06 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 2.40 0.00 148 N 8.11 4.31 0.00 3.06 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 7.95 3.98 0.00 3.01 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 0.00 150 L 8.36 4.07 0.00 1.86 1.73 0.94 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 151 Q 8.26 3.90 0.00 2.17 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.85 0.00 0.00 0.00 0.00 0.00 2.30 2.37 0.00 152 S 8.04 4.30 0.00 3.82 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 0.00 153 H 7.73 4.60 0.00 2.94 3.07 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 7.94 4.29 0.00 1.94 1.83 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 2.81 2.44 0.00 155 H 7.49 5.07 0.00 3.10 3.16 0.00 5.72 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 156 E 8.69 4.13 0.00 1.95 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 2.31 2.30 0.00