NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 K 4.4086 8.3031 120.0686 56.3292 33.6426 175.1999 3 G 3.7438 8.5917 111.8927 44.1485 0.0000 171.3074 4 D 4.4717 8.6466 119.7757 54.0130 42.2935 175.4035 5 K 3.9258 8.9368 126.5840 59.7191 32.2863 179.1342 6 K 4.1125 8.1081 118.2868 59.0906 32.0339 179.0345 7 V 3.6441 8.3755 118.9138 66.4650 31.3106 178.0756 8 I 3.7324 7.8615 119.0702 64.5640 36.9479 178.4881 9 Q 3.9647 8.1232 118.7245 59.2317 28.4505 178.5544 10 H 4.1433 8.6316 117.5694 58.8451 28.6887 177.7287 11 L 4.0046 8.5360 121.0300 58.1495 41.4481 179.5228 12 N 4.3609 8.5713 116.5063 55.7666 38.3813 177.5462 13 K 3.8987 8.0260 121.3126 59.6630 32.3425 178.8522 14 I 3.7203 8.0298 120.4098 64.3331 36.9272 178.1411 15 L 4.0375 8.3920 121.6326 58.0482 41.7747 179.1728 16 G 3.6391 8.3887 106.0661 48.0239 0.0000 175.3512 17 N 4.3538 8.1816 118.9419 56.0445 38.6291 177.3728 18 E 3.9519 8.4025 120.0765 59.4152 29.4336 179.3431 19 L 4.0667 8.1303 119.1248 57.7451 41.5663 179.8200 20 I 3.6119 7.5554 119.3979 64.2902 37.1101 178.2048 21 A 3.2856 7.8929 121.6139 54.8696 18.0573 179.5454 22 I 3.6062 8.1080 118.4968 64.8417 37.2470 178.4510 23 N 4.3627 7.8245 116.8799 56.1464 38.2508 177.4359 24 Q 3.8255 8.0639 121.0260 59.5001 29.1452 177.8456 25 Y 4.7599 8.0202 119.5509 60.6464 37.8784 178.4671 26 F 4.0180 8.4101 121.7813 60.9763 39.4660 177.0907 27 L 3.9543 8.2278 120.0701 58.5621 41.8829 178.5519 28 H 3.8069 8.4117 116.5349 58.7940 28.4664 177.6723 29 S 4.3810 8.3455 115.0190 61.7097 62.1959 176.5811 30 R 3.8098 7.8633 120.5845 59.2188 29.7843 179.0435 31 M 3.5218 7.9214 118.8540 57.7583 31.8370 178.7104 32 W 4.5340 8.0413 119.4651 59.9581 29.2395 178.2739 33 N 4.3941 8.5149 116.6197 56.4235 37.7642 176.7319 34 D 4.3467 8.0839 118.6603 57.0944 41.3039 177.6923 35 W 4.9043 7.8706 116.1835 56.4359 29.4650 177.1651 36 G 3.9647 8.3048 107.9874 46.1043 0.0000 174.6485 37 L 4.7918 7.9411 121.7075 53.1983 40.4466 177.8835 38 K 3.9908 8.2351 120.8714 59.4835 32.5842 179.3385 39 R 3.8799 8.0015 119.1849 59.2269 29.9274 178.5889 40 L 3.8117 7.7197 118.5854 57.3232 41.4946 179.1588 41 G 3.9220 8.2057 105.6104 48.0738 0.0000 175.4935 42 A 4.0022 8.1760 123.6976 54.9935 18.4107 179.2140 43 H 4.0117 8.1123 116.3785 59.3540 29.8649 177.1513 44 E 3.9643 8.5690 121.3662 59.1965 29.4659 177.8952 45 Y 4.1068 8.2399 119.7812 61.3009 38.7702 178.1519 46 H 4.0031 8.3589 116.8084 58.6176 28.7070 177.6656 47 E 3.8049 8.1343 120.5819 59.3575 29.1899 179.1104 48 S 4.2741 8.3021 113.2566 61.7135 62.4532 176.2797 49 I 3.5707 7.6427 122.2904 64.5205 36.8517 178.0724 50 D 4.2960 8.2124 119.7203 57.5034 40.5615 178.8468 51 E 4.2528 8.1757 120.3512 59.0927 29.4456 179.1627 52 M 4.0189 8.2586 119.0999 58.4356 31.9816 179.0157 53 K 4.0116 8.0837 118.5829 59.6268 32.2067 179.1441 54 H 4.2621 8.0810 116.2756 58.8362 28.6410 177.7048 55 A 4.0015 8.2815 122.7281 55.0261 18.1482 179.0528 56 D 4.2802 8.1170 116.5651 57.6890 41.3489 178.8558 57 K 4.0134 8.0680 118.7588 59.2602 31.8920 179.4824 58 L 4.0393 7.9582 119.5014 57.8357 41.5731 179.5125 59 I 3.7469 7.8860 119.7693 64.3758 37.0205 178.4216 60 E 3.9874 8.4141 119.5812 59.3548 29.2467 179.4016 61 R 4.0067 8.1156 118.7555 59.3958 30.1857 178.3783 62 I 3.7143 8.1361 120.0612 64.6800 37.1981 178.3732 63 L 4.0242 7.9374 119.5117 57.6764 41.1779 179.3476 64 F 4.3100 8.0330 119.8150 61.2309 39.5924 176.4297 65 L 3.9396 8.1578 116.1999 54.1247 41.2100 176.9529 66 E 3.8355 7.8832 117.4784 57.4298 27.2656 174.7724 67 G 3.9188 7.8550 108.6375 44.2101 0.0000 173.5658 68 L 4.5821 8.0132 119.0893 51.9604 42.7309 175.0674 69 P 4.3598 0.0000 0.0000 62.4919 31.7963 175.9945 70 N 4.6721 9.5725 122.3122 52.5620 38.5150 174.1011 71 L 4.6427 8.3501 124.2816 54.5570 42.3824 177.3376 72 Q 4.1283 8.4718 121.6938 56.9917 29.4454 175.1998 73 D 4.6622 8.1498 117.5224 52.4032 41.6622 175.3573 74 L 4.5028 8.2920 127.0600 52.7727 43.1726 176.8048 75 G 3.8171 8.3249 117.4268 45.1266 0.0000 170.6298 76 K 4.3105 8.3386 120.8336 54.9205 33.0949 177.1062 77 L 4.0881 8.3670 126.6655 54.4198 42.2259 176.8247 78 L 4.3448 8.8370 124.8464 53.5524 40.7952 175.7332 79 I 4.3357 8.0717 124.8816 59.4101 38.0111 176.6771 80 G 3.9729 8.6557 114.9521 45.0132 0.0000 172.5729 81 E 4.7334 8.9158 115.6531 55.6214 30.4237 175.4313 82 N 5.0979 7.6612 116.9697 51.0158 41.9072 174.8950 83 T 4.4058 8.5334 115.8080 67.3142 68.5854 176.8450 84 Q 4.0524 8.2076 119.4097 58.9873 28.7885 178.5907 85 E 4.0206 8.7934 119.7868 59.5719 29.4955 179.2390 86 M 3.9412 8.4719 119.1368 58.3725 31.9743 178.8213 87 L 4.1788 8.2971 119.1266 57.9226 41.7470 179.3855 88 Q 4.0015 8.1501 119.4648 59.3248 28.9904 178.0660 89 C 4.2149 8.7289 118.1770 62.9462 28.1844 175.7606 90 D 4.7058 8.4608 120.5149 57.4336 40.3771 178.6726 91 L 3.9900 8.1877 120.7896 58.2718 42.2362 178.7358 92 N 4.3426 8.6242 116.8932 56.2328 38.3729 177.1507 93 L 4.0144 8.1033 121.7415 58.3010 42.2279 178.9594 94 E 4.0724 8.4135 118.5883 59.1240 29.4689 179.2403 95 L 4.0137 8.2236 119.4573 57.7289 41.7334 179.4809 96 K 3.9618 8.0550 118.9863 59.4374 32.1128 178.7075 97 A 4.0520 8.3760 121.4093 55.4849 18.3943 179.8244 98 T 3.8679 8.1220 114.3461 66.4491 68.5767 176.9948 99 K 3.9531 7.9992 121.3582 59.6803 32.1888 178.5751 100 D 4.3978 8.1677 119.1240 57.3329 40.6839 178.7261 101 L 3.9844 8.1240 119.4909 57.8863 41.6658 179.7388 102 R 3.9269 7.8495 117.3759 59.5008 30.0650 179.0426 103 E 3.9875 8.1888 117.9029 59.3269 29.5336 179.3282 104 A 3.6384 8.2312 121.1618 54.9124 18.3288 179.8581 105 I 3.6813 7.8551 118.6041 64.3163 37.2132 178.4794 106 V 3.5653 7.7888 119.1853 66.5317 31.3225 177.4652 107 H 4.0896 8.0816 117.5853 59.4641 29.6228 176.9373 108 C 4.0171 7.8127 117.9601 62.6775 27.9713 175.4956 109 E 3.8770 8.2526 120.9489 59.4937 28.9759 178.6298 110 Q 3.9716 7.6503 117.9709 58.8765 29.1438 177.7861 111 V 3.8949 7.2642 110.1351 60.7103 31.7337 175.8836 112 H 2.9084 7.4254 114.2383 56.8906 27.0501 176.3967 113 D 4.5101 7.2089 120.7935 53.4242 37.7142 176.1995 114 Y 4.3254 7.3350 120.6540 60.3338 38.4476 178.0585 115 V 3.6416 7.8264 119.3501 66.1161 31.8166 177.9924 116 S 4.1700 8.6216 115.0829 61.4220 62.6361 176.6068 117 R 3.8771 7.8606 121.2173 59.5563 29.9392 177.8360 118 D 4.3630 8.2692 117.8077 57.4121 41.1630 178.0850 119 L 3.9501 7.9536 120.5577 58.2423 42.0532 178.9969 120 L 3.9956 8.0358 118.8890 57.6653 41.5549 179.2987 121 K 3.9275 8.6456 119.9312 59.7462 32.1595 178.5824 122 D 4.4082 8.1483 119.0520 57.1719 40.6338 178.7372 123 I 3.4974 7.8528 120.4744 64.1817 37.0048 178.2086 124 L 3.9328 8.2756 121.5727 58.0460 41.9288 178.4971 125 E 3.9218 8.1974 119.3243 59.3963 29.6571 178.7684 126 S 4.1317 7.9467 112.5648 61.6119 62.5080 176.0711 127 E 4.1697 8.5200 121.4475 59.2661 29.0800 179.1656 128 E 4.0826 8.6393 119.3206 59.1643 29.3789 179.0558 129 E 4.0144 8.3060 118.8859 59.7754 29.5768 178.8723 130 H 4.3585 8.2799 117.9561 59.4138 29.9179 177.3800 131 I 3.7962 7.9668 121.7491 64.1909 36.9103 177.8101 132 D 4.3161 8.4634 119.3493 57.4877 41.0705 177.5137 133 Y 4.1214 8.2933 120.0585 60.8173 38.7834 178.0829 134 L 3.7569 8.4719 119.8948 58.0529 41.8184 179.5441 135 E 3.9547 8.1370 118.2328 59.5978 29.3199 179.6755 136 T 3.8086 7.9066 115.8652 66.6600 68.4103 176.7328 137 Q 3.8558 7.8041 119.9240 58.8161 28.3851 178.7869 138 L 3.8464 7.7604 120.1464 57.7266 41.7677 179.8727 139 G 3.5585 8.1262 105.6012 47.6305 0.0000 175.7936 140 L 4.0487 7.7400 121.2432 57.4650 41.6766 179.1568 141 I 3.5064 7.4904 120.0932 64.7680 36.8042 178.4375 142 Q 3.9865 7.4497 117.0377 58.8001 28.5751 178.5471 143 K 4.1774 7.7690 118.4359 58.2739 32.3275 178.2118 144 V 4.1840 8.3329 109.9601 60.4630 33.4443 176.5549 145 G 4.0183 8.2046 107.9143 45.7820 0.0000 174.1347 146 L 3.9684 8.6976 123.6909 58.2862 41.9778 179.4842 147 E 3.9862 8.1336 117.6423 59.6299 29.5053 178.9207 148 N 4.3307 8.1944 115.9759 56.3651 38.3473 176.7773 149 Y 3.9913 7.6403 119.8324 60.7294 39.2080 177.5291 150 L 4.0526 8.1879 119.9997 57.6169 41.8213 179.0196 151 Q 3.8967 8.2004 119.6527 59.5426 28.7781 178.7508 152 S 4.2655 7.9651 113.4032 60.3001 63.0353 174.5520 153 H 4.6135 7.7193 118.3572 55.6108 29.5452 176.1003 154 M 4.3041 7.9908 121.1306 57.7223 31.9250 176.0693 155 H 5.1480 7.6053 113.9899 53.7217 30.7675 174.7301 156 E 4.1268 8.7209 121.7271 56.7942 29.2549 176.8521 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 4.41 0.00 1.61 1.76 0.00 1.68 0.00 0.00 1.67 0.00 0.00 2.86 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.44 1.42 7.81 3 G 8.59 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 4 D 8.65 4.47 0.00 2.80 2.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 K 8.94 3.93 0.00 1.84 1.78 0.00 1.75 0.00 0.00 1.80 0.00 0.00 2.92 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.49 1.52 7.81 6 K 8.11 4.11 0.00 1.95 1.53 0.00 1.74 0.00 0.00 1.74 0.00 0.00 2.90 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.58 1.45 7.81 7 V 8.38 3.64 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 1.05 0.00 0.00 8 I 7.86 3.73 2.00 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.66 0.90 0.00 0.00 9 Q 8.12 3.96 0.00 2.17 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.81 0.00 0.00 0.00 0.00 0.00 2.35 2.61 0.00 10 H 8.63 4.14 0.00 3.28 3.33 0.00 5.63 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 8.54 4.00 0.00 1.78 1.75 0.96 0.70 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 12 N 8.57 4.36 0.00 2.80 2.86 0.00 0.00 6.70 7.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 K 8.03 3.90 0.00 1.90 2.02 0.00 1.61 0.00 0.00 1.65 0.00 0.00 2.93 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.45 1.47 7.81 14 I 8.03 3.72 2.00 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 1.66 0.70 0.92 0.00 0.00 15 L 8.39 4.04 0.00 1.78 1.92 0.92 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 16 G 8.39 3.64 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 0.00 0.00 0.00 17 N 8.18 4.35 0.00 2.96 2.88 0.00 0.00 7.06 6.94 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 18 E 8.40 3.95 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 2.54 2.52 0.00 19 L 8.13 4.07 0.00 1.77 1.68 0.92 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 20 I 7.56 3.61 1.94 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 1.48 0.63 0.86 0.00 0.00 21 A 7.89 3.29 0.93 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 22 I 8.11 3.61 1.96 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.62 0.85 0.00 0.00 23 N 7.82 4.36 0.00 2.71 2.83 0.00 0.00 6.74 9.05 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 24 Q 8.06 3.83 0.00 2.02 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.80 0.00 0.00 0.00 0.00 0.00 2.40 2.21 0.00 25 Y 8.02 4.76 0.00 3.07 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 26 F 8.41 4.02 0.00 3.31 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 27 L 8.23 3.95 0.00 1.82 1.59 0.89 0.89 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 8.41 3.81 0.00 3.27 2.64 0.00 5.70 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 8.35 4.38 0.00 4.03 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 30 R 7.86 3.81 0.00 1.98 1.87 0.00 2.92 0.00 0.00 2.54 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.63 0.00 31 M 7.92 3.52 0.00 0.81 1.36 0.00 0.00 0.00 0.00 0.00 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 2.16 0.00 32 W 8.04 4.53 0.00 3.73 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 0.00 33 N 8.51 4.39 0.00 2.86 2.86 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 34 D 8.08 4.35 0.00 2.53 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 35 W 7.87 4.90 0.00 3.75 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 36 G 8.30 3.96 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 0.00 0.00 0.00 37 L 7.94 4.79 0.00 2.14 1.63 1.32 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 38 K 8.24 3.99 0.00 1.95 1.87 0.00 1.68 0.00 0.00 1.58 0.00 0.00 2.92 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.49 1.58 7.81 39 R 8.00 3.88 0.00 2.02 1.90 0.00 3.14 0.00 0.00 2.86 7.56 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 7.72 3.81 0.00 1.12 0.13 0.38 0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 41 G 8.21 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 42 A 8.18 4.00 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 8.11 4.01 0.00 3.26 3.24 0.00 5.79 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 44 E 8.57 3.96 0.00 2.57 2.38 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 2.79 2.69 0.00 45 Y 8.24 4.11 0.00 3.05 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 46 H 8.36 4.00 0.00 3.32 3.26 0.00 5.87 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 E 8.13 3.80 0.00 1.91 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 2.10 0.00 48 S 8.30 4.27 0.00 4.09 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 49 I 7.64 3.57 1.77 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.22 0.84 0.00 0.00 50 D 8.21 4.30 0.00 2.88 2.66 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 0.00 0.00 0.00 0.00 51 E 8.18 4.25 0.00 2.18 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 2.78 2.54 0.00 52 M 8.26 4.02 0.00 2.00 2.19 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 2.86 2.54 0.00 53 K 8.08 4.01 0.00 1.85 1.81 0.00 1.61 0.00 0.00 1.61 0.00 0.00 2.93 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.43 1.60 7.81 54 H 8.08 4.26 0.00 3.40 3.35 0.00 5.64 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 A 8.28 4.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 D 8.12 4.28 0.00 2.81 2.86 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 57 K 8.07 4.01 0.00 2.02 1.86 0.00 1.72 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.47 1.66 7.81 58 L 7.96 4.04 0.00 1.88 1.73 0.94 0.80 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 7.89 3.75 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 1.52 0.89 0.92 0.00 0.00 60 E 8.41 3.99 0.00 2.09 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 2.39 0.00 61 R 8.12 4.01 0.00 2.07 2.11 0.00 3.30 0.00 0.00 3.21 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.81 0.00 62 I 8.14 3.71 2.10 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 0.71 0.94 0.00 0.00 63 L 7.94 4.02 0.00 1.91 1.76 0.93 1.04 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 64 F 8.03 4.31 0.00 2.98 3.32 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 65 L 8.16 3.94 0.00 1.81 1.66 0.96 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 66 E 7.88 3.84 0.00 2.05 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 2.18 2.13 0.00 67 G 7.85 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 68 L 8.01 4.58 0.00 1.60 1.60 0.91 0.98 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 4.36 0.00 2.04 1.99 0.00 3.66 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.08 0.00 70 N 9.57 4.67 0.00 2.62 2.81 0.00 0.00 7.05 8.40 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 71 L 8.35 4.64 0.00 1.61 1.61 0.91 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 72 Q 8.47 4.13 0.00 1.97 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.46 6.69 0.00 0.00 0.00 0.00 0.00 2.31 2.35 0.00 73 D 8.15 4.66 0.00 2.67 2.58 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 0.00 0.00 0.00 74 L 8.29 4.50 0.00 1.52 1.54 0.88 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 75 G 8.32 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 0.00 0.00 0.00 76 K 8.34 4.31 0.00 1.69 1.71 0.00 1.66 0.00 0.00 1.70 0.00 0.00 3.06 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.37 1.50 7.81 77 L 8.37 4.09 0.00 1.63 1.55 0.87 0.98 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 78 L 8.84 4.34 0.00 1.72 1.68 0.96 0.78 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 79 I 8.07 4.34 1.88 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.79 0.91 0.00 0.00 80 G 8.66 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 81 E 8.92 4.73 0.00 2.16 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 2.49 2.24 0.00 82 N 7.66 5.10 0.00 2.88 2.86 0.00 0.00 6.22 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 8.53 4.41 4.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 84 Q 8.21 4.05 0.00 2.15 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.92 0.00 0.00 0.00 0.00 0.00 2.42 2.49 0.00 85 E 8.79 4.02 0.00 2.24 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 2.35 2.56 0.00 86 M 8.47 3.94 0.00 1.43 2.29 0.00 0.00 0.00 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 1.98 0.00 87 L 8.30 4.18 0.00 1.76 1.75 0.88 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 88 Q 8.15 4.00 0.00 2.28 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.81 0.00 0.00 0.00 0.00 0.00 2.37 2.47 0.00 89 C 8.73 4.21 0.00 3.24 3.18 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 90 D 8.46 4.71 0.00 3.02 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 91 L 8.19 3.99 0.00 1.87 1.91 0.94 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 92 N 8.62 4.34 0.00 2.95 2.89 0.00 0.00 6.69 6.29 0.00 0.00 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 8.10 4.01 0.00 1.97 1.97 0.91 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 94 E 8.41 4.07 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 2.66 2.53 0.00 95 L 8.22 4.01 0.00 1.85 1.74 0.94 0.67 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 96 K 8.06 3.96 0.00 1.92 2.08 0.00 1.53 0.00 0.00 1.66 0.00 0.00 3.05 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.45 1.51 7.81 97 A 8.38 4.05 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 98 T 8.12 3.87 4.69 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 1.23 0.00 0.00 99 K 8.00 3.95 0.00 1.88 1.97 0.00 1.65 0.00 0.00 1.66 0.00 0.00 2.94 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.58 1.50 7.81 100 D 8.17 4.40 0.00 2.91 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 8.12 3.98 0.00 2.01 1.73 0.93 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 102 R 7.85 3.93 0.00 2.07 1.99 0.00 3.14 0.00 0.00 3.18 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.82 0.00 103 E 8.19 3.99 0.00 2.21 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 2.35 2.49 0.00 104 A 8.23 3.64 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 I 7.86 3.68 2.00 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 7.79 3.57 2.22 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 1.00 0.00 0.00 0.98 0.00 0.00 107 H 8.08 4.09 0.00 3.25 3.33 0.00 5.84 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 0.00 108 C 7.81 4.02 0.00 3.19 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 0.00 109 E 8.25 3.88 0.00 2.12 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 2.38 2.46 0.00 110 Q 7.65 3.97 0.00 2.08 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.87 0.00 0.00 0.00 0.00 0.00 2.25 2.35 0.00 111 V 7.26 3.89 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 0.68 0.00 0.00 0.82 0.00 0.00 112 H 7.43 2.91 0.00 3.15 3.22 0.00 5.66 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 0.00 113 D 7.21 4.51 0.00 2.64 2.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 Y 7.34 4.33 0.00 3.08 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 0.00 115 V 7.83 3.64 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 nan 0.00 0.00 0.99 0.00 0.00 116 S 8.62 4.17 0.00 4.13 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 0.00 117 R 7.86 3.88 0.00 1.96 2.20 0.00 3.22 0.00 0.00 3.15 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.68 0.00 118 D 8.27 4.36 0.00 3.00 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 0.00 119 L 7.95 3.95 0.00 1.79 1.87 0.98 0.74 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 8.04 4.00 0.00 1.91 1.71 0.93 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 121 K 8.65 3.93 0.00 1.87 1.97 0.00 1.65 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.45 1.65 7.81 122 D 8.15 4.41 0.00 2.93 2.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 I 7.85 3.50 1.97 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 1.28 0.96 0.81 0.00 0.00 124 L 8.28 3.93 0.00 1.80 1.90 0.98 0.75 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 0.00 125 E 8.20 3.92 0.00 2.22 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 7.95 4.13 0.00 4.03 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 0.00 127 E 8.52 4.17 0.00 2.05 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 2.64 2.53 0.00 128 E 8.64 4.08 0.00 2.25 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 2.46 0.00 129 E 8.31 4.01 0.00 2.28 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 2.36 0.00 130 H 8.28 4.36 0.00 3.29 3.52 0.00 5.61 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 0.00 131 I 7.97 3.80 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 1.44 0.54 0.93 0.00 0.00 132 D 8.46 4.32 0.00 2.81 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 0.00 133 Y 8.29 4.12 0.00 3.15 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 0.00 134 L 8.47 3.76 0.00 1.98 1.67 1.12 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 135 E 8.14 3.95 0.00 2.00 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 2.63 0.00 136 T 7.91 3.81 4.28 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 1.18 0.00 0.00 137 Q 7.80 3.86 0.00 1.84 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.80 0.00 0.00 0.00 0.00 0.00 1.35 1.98 0.00 138 L 7.76 3.85 0.00 1.89 1.61 0.83 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 139 G 8.13 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 140 L 7.74 4.05 0.00 1.87 1.87 1.01 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 141 I 7.49 3.51 1.77 0.00 0.00 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 -0.36 0.79 0.00 0.00 142 Q 7.45 3.99 0.00 2.10 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 7.01 0.00 0.00 0.00 0.00 0.00 2.51 2.49 0.00 143 K 7.77 4.18 0.00 1.77 1.86 0.00 1.65 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.46 1.66 7.81 144 V 8.33 4.18 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 0.71 0.00 0.00 1.12 0.00 0.00 145 G 8.20 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 0.00 0.00 0.00 146 L 8.70 3.97 0.00 1.76 1.70 0.96 0.96 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 0.00 147 E 8.13 3.99 0.00 2.06 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.40 0.00 148 N 8.19 4.33 0.00 3.09 2.90 0.00 0.00 6.73 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 7.64 3.99 0.00 3.06 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 8.19 4.05 0.00 1.76 1.72 0.94 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 151 Q 8.20 3.90 0.00 2.20 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.84 0.00 0.00 0.00 0.00 0.00 2.30 2.38 0.00 152 S 7.97 4.27 0.00 3.79 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 7.72 4.61 0.00 2.92 3.04 0.00 5.81 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 154 M 7.99 4.30 0.00 1.97 1.83 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.73 2.44 0.00 155 H 7.61 5.15 0.00 3.09 3.15 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 0.00 156 E 8.72 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 2.40 2.30 0.00