NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 F 4.6589 8.1833 119.4041 57.5665 41.1455 176.7534 6 E 3.8780 8.5178 119.9820 59.3003 29.5554 177.8133 7 R 3.8136 8.2830 116.2874 59.6585 31.3103 177.6176 8 T 3.8763 8.1129 110.7218 63.6476 67.6875 172.3522 9 K 4.8151 7.2546 122.6042 54.3981 34.1565 173.0800 10 P 4.2818 0.0000 0.0000 63.8332 32.3116 174.7390 11 H 4.9778 8.9436 122.4547 54.4451 29.9263 174.8670 12 V 4.3252 8.2582 124.2339 61.0017 34.2701 173.8718 13 N 5.4931 8.4972 125.6040 51.6589 41.1755 173.7653 14 V 4.9249 8.8732 124.8580 61.1056 33.6655 174.3362 15 G 4.4318 9.8036 116.7813 44.7996 0.0000 171.8074 16 T 5.7843 8.3814 122.4381 61.2947 70.7569 174.1067 17 I 3.6938 8.4348 127.9207 59.5505 39.7516 174.9303 18 G 4.6195 7.8210 117.6624 44.1340 0.0000 169.8074 19 H 4.4982 10.0386 116.1394 56.9672 31.8229 173.0572 20 V 3.4844 8.0096 119.8595 59.2223 29.4482 167.1089 21 D 4.4360 8.3651 131.7923 55.4318 39.4041 176.8838 22 H 4.1827 7.9160 116.8322 59.3022 28.6526 175.4898 23 G 4.1200 8.8273 105.7552 45.2043 0.0000 175.1487 24 K 3.8931 8.6889 121.7766 60.5407 32.0415 178.7923 25 T 4.7871 7.8567 117.7324 66.0213 68.3520 176.4465 26 T 3.8264 7.7903 116.8745 66.5611 68.6981 176.3442 27 L 3.8333 10.8200 120.5432 58.1307 41.1818 179.6911 28 T 3.5829 9.3592 115.1724 66.5065 68.3655 176.3531 29 A 3.7811 8.0664 122.4099 55.1177 18.3411 179.3587 30 A 3.8837 8.0113 119.2699 55.4136 18.4083 179.7564 31 I 3.4293 7.2747 117.6155 64.7959 37.0378 178.6816 32 T 3.7342 7.0385 115.8917 66.9315 68.2933 176.6623 33 T 3.8702 7.5718 117.0685 66.6675 68.5245 176.6785 34 V 3.5770 8.0088 120.2586 66.0496 31.0692 177.8769 35 L 4.2219 8.2929 118.7844 57.8631 41.4593 179.3120 36 A 4.1006 8.6445 121.1921 55.2075 18.1253 179.7588 37 K 3.8804 7.7575 115.2760 59.9886 32.2669 179.4953 38 T 3.7988 7.6062 114.2811 66.8190 68.4565 176.2611 39 Y 4.4596 7.2804 116.5006 61.7094 38.5873 177.4679 40 G 4.0742 8.0778 115.0703 45.1440 0.0000 173.6526 *60 I 3.9450 8.0825 125.2713 60.7628 38.8101 174.5240 61 T 4.7029 8.1655 112.7619 59.7665 71.1743 173.4651 62 I 4.6553 8.1555 124.2739 59.6243 41.0259 174.3875 63 N 5.0244 8.5707 120.8495 51.8266 41.9805 173.9086 64 T 4.7304 8.2532 118.2153 61.9940 72.9719 173.1926 65 S 4.7350 8.6665 119.3464 56.8476 65.9957 172.1155 66 H 5.4570 8.8399 125.2704 54.6938 32.9543 172.6149 67 V 4.7695 8.7516 117.3609 59.8474 36.1211 174.2188 68 E 5.3494 8.9765 122.9155 54.8789 33.1141 174.4998 69 Y 5.1545 8.9521 121.1205 55.6039 42.5010 173.8045 70 D 5.0659 8.7578 119.7417 53.1024 44.9136 175.7578 71 T 3.9775 8.8871 114.6127 59.3152 70.6605 173.5364 72 P 4.5282 0.0000 0.0000 64.1197 31.2994 176.2972 73 T 4.3411 7.6041 113.7053 64.9054 70.5342 174.0954 74 R 4.7614 8.0009 118.4758 54.4436 34.2483 174.2344 75 H 5.1015 8.2164 118.7696 53.7191 33.5328 171.6437 76 Y 5.1758 8.9696 121.7995 56.0474 42.3743 174.1016 77 A 5.1182 9.0340 123.8412 50.4966 22.7459 174.5360 78 H 6.1483 9.6385 121.3732 53.3206 34.0367 172.4475 79 V 4.8791 7.9377 123.3358 59.9796 34.7717 173.6857 80 D 5.0813 9.3221 123.4760 52.7229 44.7058 173.5182 81 C 4.7174 8.2243 122.2142 57.1058 30.7703 173.3953 82 P 4.2458 0.0000 0.0000 65.0719 31.3935 176.7707 83 G 4.2615 7.5850 103.1823 42.1538 0.0000 173.1414 84 H 4.5514 9.0089 119.9648 59.3035 29.8775 177.1450 85 A 4.0043 8.0968 121.9057 55.3618 18.1526 179.0794 86 D 4.8513 7.8247 117.9252 57.4023 40.9607 178.4532 87 Y 4.0580 8.0509 117.4046 61.0651 37.8260 178.9258 88 V 3.5261 8.6081 120.2851 65.7936 31.6881 178.1085 89 K 3.9308 8.0655 118.3917 60.1108 32.4128 178.6567 90 N 4.2575 8.7156 118.5004 56.0689 38.2885 177.2600 91 M 4.0559 8.2448 118.7301 58.4689 32.1741 178.6001 92 I 3.8955 7.7885 118.9222 63.4682 37.5597 177.5316 93 T 3.9768 8.7228 109.3496 62.6435 67.8900 174.9166 94 G 4.0111 8.8901 110.0632 44.7130 0.0000 172.6623 95 A 3.9345 8.2900 121.7429 54.0076 18.7495 176.1741 96 A 4.0907 8.7342 130.9181 52.0089 16.8474 175.3598 97 Q 3.2477 7.8146 119.7304 56.1615 29.9894 173.3973 98 M 4.8197 8.2952 123.5940 53.9801 33.5253 173.7934 99 D 4.5352 9.4350 126.4844 56.1650 41.5117 176.7624 100 G 4.3065 8.2429 106.7298 44.3415 0.0000 171.8131 101 A 5.4129 10.3495 128.7913 50.3100 21.6262 174.8204 102 I 5.1893 9.9181 124.1645 59.7170 40.0464 174.7213 103 L 5.0670 8.9834 129.1147 53.0887 45.2006 175.0891 104 V 5.4227 8.3401 125.2743 60.3293 34.0328 174.6848 105 V 4.1523 8.4124 127.9075 60.9858 34.1476 173.8231 106 A 5.2913 8.1147 129.6627 50.1822 20.4917 176.8201 107 A 3.8141 8.4937 124.9853 56.2012 19.0059 178.9016 108 T 3.9937 8.1199 111.2967 66.7505 69.5585 174.0328 109 D 4.9060 7.9878 124.6912 53.8174 39.5629 175.9741 110 G 4.0211 8.1126 115.9404 44.8530 0.0000 169.2259 111 P 4.0738 0.0000 0.0000 63.1730 31.5146 175.7107 112 M 4.6685 8.0525 123.7485 53.1852 35.1946 173.7369 113 P 4.2138 0.0000 0.0000 65.8937 31.3177 178.4797 114 Q 3.8789 8.1387 116.3200 59.2923 28.5464 179.0000 115 T 3.7103 7.4894 116.4293 66.5789 68.6369 176.5157 116 R 3.6657 7.7843 119.8787 59.2984 30.1261 177.8340 117 E 3.8367 8.5494 119.2541 59.6866 29.6845 178.3687 118 H 4.0246 8.5339 116.4813 58.9120 28.7314 177.6806 119 I 3.5980 7.8008 121.6664 64.2959 36.8884 178.1467 120 L 3.9326 7.6151 120.4365 58.1266 41.8793 178.5460 121 L 4.0125 7.9201 120.3806 58.1581 41.9059 179.0964 122 G 3.6222 8.1019 105.4375 47.8326 0.0000 175.4127 123 R 3.9255 7.5773 120.1411 59.2604 30.1816 178.1767 124 Q 4.1465 8.1096 116.5715 59.0167 28.7964 178.5906 125 V 3.8075 7.6889 118.3287 66.1504 31.5446 176.7846 126 G 4.0849 7.9650 104.9351 45.3247 0.0000 174.1419 127 V 3.9381 7.6483 119.7072 62.1140 30.1875 173.7340 128 P 4.2497 0.0000 0.0000 64.9250 30.9452 176.6899 129 Y 5.3505 7.9551 116.1104 55.9728 41.1452 174.7236 130 I 5.4819 9.3704 125.0266 58.8155 39.5530 174.7397 131 I 4.3048 8.2739 127.4193 59.0969 40.6019 173.8809 132 V 4.6068 8.3265 129.9680 61.3309 33.5003 174.0157 133 F 5.2210 9.6712 131.2702 56.3893 42.0488 173.3488 134 L 5.2077 9.7093 128.2221 52.5114 44.2633 174.3669 135 N 4.9053 9.1531 125.4409 52.1096 41.2887 172.9288 136 K 3.6828 6.2794 126.0705 56.9857 34.0071 175.2601 137 C 5.0161 7.2667 111.9931 59.8357 29.3444 174.7712 138 D 4.5855 7.4747 114.2947 52.9744 40.1432 176.4066 139 M 4.4369 7.6698 115.5253 55.8786 33.9999 175.0769 140 V 3.9816 7.6925 119.8462 62.3672 32.4265 173.2211 141 D 4.6784 9.6510 128.3805 55.0572 40.7958 174.3846 142 D 5.1582 8.3308 135.0000 53.5547 41.8330 177.4421 143 E 3.9510 8.2343 124.9794 59.2735 29.6180 178.4513 144 E 3.9447 8.1775 117.9157 59.4671 28.9519 179.2700 145 L 3.9561 7.7742 118.1775 57.8219 41.4426 179.2590 146 L 4.1991 8.1219 119.0717 57.9484 41.3564 179.3695 147 E 4.0512 8.1210 118.2556 59.4765 29.4827 179.4379 148 L 3.9950 7.6106 118.3280 57.7430 41.6451 179.7574 149 V 3.5454 8.9499 118.3255 66.0516 31.4934 177.7314 150 E 3.9148 9.1957 119.0595 59.7150 29.3417 179.2955 151 M 4.0175 10.6600 118.1913 58.5513 32.0835 178.6299 152 E 4.1041 7.9551 118.0788 59.4263 29.6596 179.3852 153 V 3.5696 7.9710 118.4108 66.2871 31.3565 178.1136 154 R 3.9827 7.8413 117.3871 59.4157 30.0586 178.7503 155 E 3.9929 8.6022 118.4845 59.4818 29.5928 179.3661 156 L 4.2973 7.9652 118.8037 57.9158 41.7470 179.4911 157 L 4.0466 7.9971 118.6811 58.0757 41.4242 179.8386 158 S 4.6963 7.5611 114.6887 61.2374 62.8839 176.4229 159 Q 3.9102 7.5281 118.6721 59.2151 28.4424 178.5201 160 Y 4.4500 7.0860 115.6902 59.6015 38.1633 176.0157 161 D 4.7484 9.1606 116.1738 54.2027 45.3117 176.0421 162 F 4.2039 7.8058 118.4850 57.4830 40.2175 172.0275 163 P 4.0186 0.0000 0.0000 62.6151 31.4537 177.4554 164 G 4.1346 8.3699 111.7492 45.0132 0.0000 172.6008 165 D 4.5245 7.1435 117.4059 55.9100 42.8794 176.1444 166 D 4.7395 7.6616 121.4481 53.8152 40.5666 177.5957 167 T 4.4666 7.4447 109.9039 58.8752 71.6229 171.6376 168 P 4.4119 0.0000 0.0000 62.8803 32.3547 175.0774 169 I 4.8080 8.1850 124.8399 59.4114 39.5463 174.8687 170 V 4.2251 8.6837 128.0563 60.9955 33.8261 174.3762 171 R 5.1378 8.0966 126.9034 53.2943 31.5027 174.7295 172 G 4.4698 7.7292 118.8079 44.2694 0.0000 173.0703 173 S 4.2870 9.0409 117.4350 57.3305 64.3096 174.9249 174 A 4.2430 8.8983 132.3153 55.3764 18.7116 178.7865 175 L 3.9251 8.1653 117.2153 58.4540 42.4655 179.1675 176 K 3.9869 8.1033 117.1245 59.3576 31.7006 178.7907 177 A 4.0788 7.5201 119.1837 55.2849 18.3973 179.3201 178 L 4.0875 7.8250 115.2746 58.0933 41.8702 179.0388 179 E 4.2726 7.5211 115.6679 59.6362 29.9612 176.8776 180 G 3.8656 8.7588 111.2007 45.0608 0.0000 173.0745 181 D 5.5317 9.4195 124.2960 52.3720 42.2191 174.8286 182 A 5.1258 8.5028 122.7610 50.3164 20.0784 178.1530 183 E 3.8872 8.5424 120.2999 59.4429 28.9442 179.7991 184 W 4.3064 8.0982 118.2716 59.9687 29.1416 178.0086 185 E 4.0580 8.1204 117.6988 59.5356 28.9799 179.1492 186 A 4.0151 7.6748 120.6091 55.3128 18.4083 179.6855 187 K 3.9522 7.7863 116.0298 59.8949 32.1003 179.3149 188 I 3.7483 7.8873 119.8296 64.5323 36.9228 178.1850 189 L 4.0855 7.8874 119.5033 58.0243 41.2854 179.3394 190 E 4.1368 8.2977 117.7560 59.5651 29.5614 179.1473 191 L 4.3317 8.1740 118.5871 57.8973 41.7453 179.4615 192 A 4.0776 8.4750 120.9596 55.1002 18.3539 179.8040 193 G 3.6179 8.7670 104.6887 48.1439 0.0000 175.7257 194 F 4.0948 9.4237 121.9154 60.0718 38.7901 177.6259 195 L 4.1931 7.9940 118.3359 58.0903 41.2792 179.3200 196 D 4.5272 8.0730 116.9595 57.6160 40.9006 178.9460 197 S 4.2120 8.2406 114.3073 61.7720 63.0007 175.7471 198 Y 4.2501 10.1577 120.5174 59.6660 38.7113 176.3920 199 I 3.6600 7.1582 122.4788 59.4599 36.8472 174.2530 200 P 4.3103 0.0000 0.0000 62.7299 31.0829 176.6664 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 5 F 8.18 4.66 0.00 3.13 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 6 E 8.52 3.88 0.00 2.14 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 2.46 2.48 0.00 7 R 8.28 3.81 0.00 1.76 1.97 0.00 3.19 0.00 0.00 3.11 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.61 0.00 8 T 8.11 3.88 2.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 9 K 7.25 4.82 0.00 2.05 2.02 0.00 1.67 0.00 0.00 1.51 0.00 0.00 2.99 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.21 1.48 7.81 10 P 0.00 4.28 0.00 2.04 2.12 0.00 3.73 0.00 0.00 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.15 0.00 11 H 8.94 4.98 0.00 3.00 3.25 0.00 5.64 0.00 0.00 0.00 0.00 6.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 V 8.26 4.33 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.79 0.00 0.00 13 N 8.50 5.49 0.00 3.04 2.76 0.00 0.00 5.99 7.56 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 14 V 8.87 4.92 2.27 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 1.06 0.00 0.00 1.27 0.00 0.00 15 G 9.80 4.43 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 0.00 16 T 8.38 5.78 4.38 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 1.34 0.00 0.00 17 I 8.43 3.69 1.75 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 1.14 1.10 0.73 0.00 0.00 18 G 7.82 4.62 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 19 H 10.04 4.50 0.00 3.04 3.43 0.00 5.95 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 V 8.01 3.48 1.83 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 0.53 0.00 0.00 0.87 0.00 0.00 21 D 8.37 4.44 0.00 2.69 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 22 H 7.92 4.18 0.00 3.19 3.37 0.00 5.75 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 23 G 8.83 4.12 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 0.00 0.00 0.00 24 K 8.69 3.89 0.00 2.07 2.17 0.00 1.81 0.00 0.00 1.92 0.00 0.00 3.12 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.57 1.77 7.81 25 T 7.86 4.79 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 26 T 7.79 3.83 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 1.20 0.00 0.00 27 L 10.82 3.83 0.00 1.78 1.40 1.10 0.93 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 28 T 9.36 3.58 4.44 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 1.20 0.00 0.00 29 A 8.07 3.78 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 A 8.01 3.88 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 31 I 7.27 3.43 1.25 0.00 0.00 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.59 0.28 0.00 0.00 32 T 7.04 3.73 4.29 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 0.00 0.00 0.00 1.24 0.00 0.00 33 T 7.57 3.87 4.38 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 1.21 0.00 0.00 34 V 8.01 3.58 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 1.07 0.00 0.00 1.01 0.00 0.00 35 L 8.29 4.22 0.00 1.93 1.86 0.73 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 36 A 8.64 4.10 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 37 K 7.76 3.88 0.00 1.74 1.86 0.00 1.79 0.00 0.00 1.70 0.00 0.00 3.03 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.48 1.69 7.81 38 T 7.61 3.80 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 0.66 0.00 0.00 39 Y 7.28 4.46 0.00 3.14 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 40 G 8.08 4.07 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 0.00 0.00 0.00 *60 I 8.08 3.95 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 1.46 0.86 0.90 0.00 0.00 61 T 8.17 4.70 4.23 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 1.20 0.00 0.00 62 I 8.16 4.66 1.86 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 1.40 0.92 0.89 0.00 0.00 63 N 8.57 5.02 0.00 2.57 2.63 0.00 0.00 6.80 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 64 T 8.25 4.73 4.23 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 1.20 0.00 0.00 65 S 8.67 4.74 0.00 3.86 3.63 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 0.00 0.00 0.00 0.00 66 H 8.84 5.46 0.00 3.16 3.10 0.00 5.73 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 V 8.75 4.77 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 0.76 0.00 0.00 1.14 0.00 0.00 68 E 8.98 5.35 0.00 1.88 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 77 A 9.03 5.12 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 H 9.64 6.15 0.00 3.62 3.45 0.00 5.77 0.00 0.00 0.00 0.00 6.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 V 7.94 4.88 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 0.72 0.00 0.00 0.90 0.00 0.00 80 D 9.32 5.08 0.00 2.80 2.50 0.00 0.00 0.00 0.00 0.00 0.00 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 C 8.22 4.72 0.00 1.55 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 0.00 0.00 0.00 0.00 82 P 0.00 4.25 0.00 2.00 2.10 0.00 3.53 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.05 0.00 83 G 7.58 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 0.00 0.00 0.00 0.00 84 H 9.01 4.55 0.00 3.33 3.40 0.00 5.89 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 85 A 8.10 4.00 1.32 0.00 0.00 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 P 0.00 4.07 0.00 2.02 1.96 0.00 3.86 0.00 0.00 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.92 0.00 112 M 8.05 4.67 0.00 1.60 1.77 0.00 0.00 0.00 0.00 0.00 2.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.40 0.00 113 P 0.00 4.21 0.00 2.17 2.05 0.00 3.46 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.15 0.00 114 Q 8.14 3.88 0.00 2.16 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.89 0.00 0.00 0.00 0.00 0.00 2.31 2.56 0.00 115 T 7.49 3.71 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 1.12 0.00 0.00 116 R 7.78 3.67 0.00 1.72 1.97 0.00 3.03 0.00 0.00 3.11 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 1.07 0.00 117 E 8.55 3.84 0.00 2.11 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 2.36 2.35 0.00 118 H 8.53 4.02 0.00 3.25 3.19 0.00 5.70 0.00 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0.00 2.01 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 2.40 2.41 0.00 144 E 8.18 3.94 0.00 2.00 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 0.00 145 L 7.77 3.96 0.00 1.80 1.70 0.91 0.63 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 0.00 146 L 8.12 4.20 0.00 1.66 1.91 0.94 1.16 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 0.00 147 E 8.12 4.05 0.00 2.17 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 2.33 2.70 0.00 148 L 7.61 3.99 0.00 1.85 1.71 0.93 1.20 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 0.00 149 V 8.95 3.55 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 1.05 0.00 0.00 0.96 0.00 0.00 150 E 9.20 3.91 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 2.28 2.45 0.00 151 M 10.66 4.02 0.00 2.07 2.17 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.69 2.59 0.00 152 E 7.96 4.10 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 2.50 2.31 0.00 153 V 7.97 3.57 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 1.00 0.00 0.00 0.97 0.00 0.00 154 R 7.84 3.98 0.00 2.07 2.13 0.00 3.20 0.00 0.00 3.19 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.95 0.00 155 E 8.60 3.99 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 2.34 2.57 0.00 156 L 7.97 4.30 0.00 1.76 1.83 0.86 0.83 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 0.00 157 L 8.00 4.05 0.00 2.02 1.98 1.03 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 158 S 7.56 4.70 0.00 3.79 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 0.00 159 Q 7.53 3.91 0.00 1.02 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.96 0.00 0.00 0.00 0.00 0.00 2.16 2.45 0.00 160 Y 7.09 4.45 0.00 3.24 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 0.00 161 D 9.16 4.75 0.00 2.63 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 0.00 162 F 7.81 4.20 0.00 3.16 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 0.00 163 P 0.00 4.02 0.00 1.96 1.91 0.00 2.20 0.00 0.00 3.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.87 0.00 164 G 8.37 4.13 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 0.00 165 D 7.14 4.52 0.00 2.66 2.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 166 D 7.66 4.74 0.00 2.70 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 0.00 167 T 7.44 4.47 4.53 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 1.09 0.00 0.00 168 P 0.00 4.41 0.00 1.68 2.06 0.00 2.45 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 2.43 0.00 169 I 8.18 4.81 1.81 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 1.17 0.65 0.88 0.00 0.00 170 V 8.68 4.23 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 1.13 0.00 0.00 0.57 0.00 0.00 171 R 8.10 5.14 0.00 1.67 1.84 0.00 3.33 0.00 0.00 3.87 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.35 0.00 172 G 7.73 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 0.00 0.00 0.00 0.00 173 S 9.04 4.29 0.00 2.72 2.63 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 0.00 0.00 0.00 0.00 174 A 8.90 4.24 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 0.00 175 L 8.17 3.93 0.00 1.62 1.59 0.87 0.78 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 0.00 176 K 8.10 3.99 0.00 1.72 1.84 0.00 1.45 0.00 0.00 1.74 0.00 0.00 2.85 0.00 0.00 2.66 0.00 0.00 0.00 0.00 1.32 0.97 7.81 177 A 7.52 4.08 1.46 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 0.00 0.00 178 L 7.83 4.09 0.00 1.62 1.74 0.96 0.90 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 0.00 179 E 7.52 4.27 0.00 2.26 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 2.34 2.46 0.00 180 G 8.76 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 181 D 9.42 5.53 0.00 2.69 2.63 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 0.00 0.00 0.00 0.00 182 A 8.50 5.13 1.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 183 E 8.54 3.89 0.00 1.72 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 0.00 2.33 2.38 0.00 184 W 8.10 4.31 0.00 3.42 3.44 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 0.00 185 E 8.12 4.06 0.00 2.35 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 2.50 2.42 0.00 186 A 7.67 4.02 1.36 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 0.00 0.00 0.00 187 K 7.79 3.95 0.00 2.20 2.05 0.00 1.71 0.00 0.00 1.63 0.00 0.00 2.83 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.43 1.53 7.81 188 I 7.89 3.75 2.06 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 1.57 0.84 0.80 0.00 0.00 189 L 7.89 4.09 0.00 2.11 1.81 0.93 1.06 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 0.00 190 E 8.30 4.14 0.00 2.44 2.67 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 2.61 2.56 0.00 191 L 8.17 4.33 0.00 1.87 1.63 -0.05 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 192 A 8.47 4.08 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 0.00 193 G 8.77 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 0.00 194 F 9.42 4.09 0.00 2.95 3.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 195 L 7.99 4.19 0.00 1.98 1.84 0.63 1.06 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 0.00 196 D 8.07 4.53 0.00 2.86 2.77 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 0.00 197 S 8.24 4.21 0.00 3.87 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 0.00 198 Y 10.16 4.25 0.00 3.18 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 0.00 199 I 7.16 3.66 2.19 0.00 0.00 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 1.47 0.87 1.00 0.00 0.00 200 P 0.00 4.31 0.00 2.04 1.89 0.00 3.18 0.00 0.00 2.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 1.86 0.00 * Residues marked with a * may have inaccurate shift predictions.