NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 G 3.8963 8.3016 109.1148 44.9515 0.0000 174.0160 4 D 4.1672 8.5214 125.1075 53.3818 42.4422 175.2623 5 K 3.9714 9.5129 128.8192 59.4735 32.6393 178.4672 6 K 4.2664 8.0617 119.7946 58.2271 32.0633 179.0067 7 V 3.6539 8.5852 119.1764 66.3182 31.4062 177.8794 8 I 3.7073 7.8321 119.1584 64.6883 36.5620 178.3230 9 Q 3.9692 7.9958 118.5176 59.3425 28.4891 178.7541 10 H 4.1757 8.4560 117.2855 58.9658 28.7351 177.8492 11 L 4.0403 8.3846 121.1268 57.9956 41.3321 179.4380 12 N 4.4347 8.4443 116.5196 55.7479 38.4859 177.4707 13 K 3.8872 8.1186 121.2610 59.5917 32.3901 178.6862 14 I 3.6813 8.0427 120.4596 64.4225 36.9949 177.9952 15 L 4.0399 8.3817 121.4328 58.1723 42.0129 179.0093 16 G 3.7360 8.2622 105.7481 48.1827 0.0000 175.1495 17 N 4.3463 8.0889 118.7165 56.1599 38.4723 177.3840 18 E 3.9516 8.2288 119.8770 59.3697 29.3130 179.4336 19 L 3.9887 8.0588 119.2422 57.5579 41.5515 179.6876 20 I 3.6422 7.6655 119.4136 64.1852 37.0292 178.0297 21 A 3.2362 7.8973 121.6963 55.2097 18.1027 179.2160 22 I 3.5978 7.8001 118.2831 65.1462 37.2567 178.2438 23 N 4.3505 7.8492 116.4897 56.3043 38.3290 177.4426 24 Q 3.8499 8.1157 120.9964 59.4986 29.1697 177.8623 25 Y 4.7333 8.0243 119.5417 60.6177 37.8766 178.4202 26 F 3.8898 8.5577 121.7308 61.0551 39.4313 177.0511 27 L 3.9569 8.1781 119.9985 58.4820 41.8966 178.4242 28 H 3.7825 8.3050 116.4129 58.8246 28.5104 177.4726 29 S 4.3634 8.2748 114.7905 61.8719 62.1713 176.6652 30 R 3.8516 7.8103 120.3804 59.1535 29.7178 178.9535 31 M 3.4875 7.9959 119.0094 57.8615 31.7782 178.7480 32 W 4.5780 7.9993 119.1319 59.8806 29.2213 178.2796 33 N 4.3805 8.5558 116.7769 56.5113 37.7988 176.9874 34 D 4.3648 7.9835 118.2258 56.9333 41.3732 177.6655 35 W 4.8325 8.0223 117.5065 57.0750 29.1549 177.0994 36 G 3.9468 8.2946 107.7545 46.2116 0.0000 174.4659 37 L 4.8251 7.9972 121.0839 53.3506 40.2913 177.9664 38 K 4.1061 8.3118 120.7301 59.1809 32.4610 179.3191 39 R 3.9012 7.9348 119.2227 59.1549 29.9732 178.5045 40 L 3.8433 7.7584 118.6342 57.5135 41.5445 179.5380 41 G 3.7507 8.1987 105.5380 47.7140 0.0000 175.7096 42 A 4.0263 8.3448 123.6619 55.1571 18.4450 179.1604 43 H 3.9282 8.2499 116.8342 59.4726 29.6571 177.1390 44 E 4.0083 8.5080 121.1139 59.0780 29.4299 177.9997 45 Y 4.0591 8.1036 119.8294 61.1809 38.8791 178.0636 46 H 3.9571 8.1215 116.9089 58.7175 28.7848 177.7296 47 E 3.8974 8.0589 120.6454 59.1023 29.1941 179.2614 48 S 4.2511 8.2001 113.2917 61.5651 62.5629 176.1041 49 I 3.6029 7.5768 122.5059 64.6843 36.8030 178.1555 50 D 4.2853 8.0869 119.4768 57.3469 40.5166 178.7323 51 E 4.1545 8.2214 119.0277 59.4394 29.4426 179.1690 52 M 4.0087 8.0538 118.8082 58.5491 32.2251 178.9921 53 K 3.9819 8.0543 118.3481 59.6968 32.1357 179.2345 54 H 4.3007 8.0528 116.4094 58.6702 28.6359 177.4863 55 A 3.9932 8.2556 122.8691 55.2260 18.1495 178.8082 56 D 4.2773 8.1198 116.3619 57.8574 41.2532 178.8389 57 K 3.9414 7.9464 118.1274 59.4280 31.9611 179.4641 58 L 3.9808 8.0409 119.1435 57.8531 41.6300 179.2463 59 I 3.7032 8.2855 120.0647 64.7618 37.0859 178.3157 60 E 4.0208 8.3927 119.1754 59.3863 29.2847 179.4720 61 R 4.0543 8.1371 118.8513 59.4196 30.0799 178.6143 62 I 3.7604 8.0364 119.8024 64.3659 37.1192 178.4251 63 L 3.9977 8.0241 119.8581 57.7999 41.2425 179.3630 64 F 4.3222 8.1221 119.5731 61.0831 39.3675 176.3277 65 L 3.9351 7.9861 116.2551 54.2364 41.0808 177.1822 66 E 3.6377 7.8584 117.3244 57.3141 27.1894 174.8440 67 G 3.8563 8.0816 108.7829 44.4723 0.0000 173.7985 68 L 4.5026 7.9960 119.0583 52.0079 42.0488 175.2196 69 P 4.3016 0.0000 0.0000 62.5547 31.6610 176.1029 70 N 4.6077 9.4675 123.1124 52.6684 37.9651 174.2115 71 L 4.5402 8.2478 124.1574 54.5183 42.4666 177.4758 72 Q 4.1138 8.6377 121.5621 57.8368 29.4358 175.6282 73 D 4.5611 8.1790 117.9023 52.9864 41.4132 175.2427 74 L 4.5208 8.3123 126.5188 52.7498 43.5319 176.5435 75 G 3.8132 8.3581 116.3048 44.9046 0.0000 171.1469 76 K 4.1801 8.3293 120.6407 55.4800 32.7137 176.7903 77 L 4.2125 8.3740 126.6831 54.4441 42.3104 177.3567 78 L 4.4071 8.7145 124.8954 53.4539 40.3888 174.5057 79 I 4.2129 7.9083 122.7779 59.7361 38.1914 176.5662 80 G 4.0154 8.7120 114.8448 44.7907 0.0000 172.7567 81 E 4.6708 8.7801 115.9182 56.0179 30.8724 175.5158 82 N 5.0807 7.6498 116.7477 50.7124 41.9319 174.9867 83 T 4.3622 8.4906 115.9337 67.1746 68.7068 176.5137 84 Q 3.9904 8.1669 120.8639 59.3880 29.0430 178.0779 85 E 4.0587 8.9808 119.9361 59.5988 29.4600 179.2783 86 M 4.0022 8.6226 119.3529 58.2701 31.8694 178.7835 87 L 4.2063 8.3635 119.3386 57.8597 41.7430 179.3710 88 Q 3.9873 8.0354 119.2402 59.2497 28.9802 177.9477 89 C 4.2471 8.5985 118.3416 62.8443 28.1810 175.6430 90 D 4.6670 8.4185 120.5665 57.5304 40.3738 178.7615 91 L 4.0195 8.1917 120.8729 58.0474 42.2117 178.6622 92 N 4.3250 8.6405 116.9798 56.3290 38.4480 177.0586 93 L 4.0169 8.0111 121.6214 58.3549 42.1974 178.9360 94 E 4.0692 8.4350 118.5106 59.2812 29.1992 179.3140 95 L 4.0644 8.2855 119.4926 57.4833 41.6573 179.4396 96 K 3.9624 8.0973 119.1736 59.3644 32.1762 178.6492 97 A 4.0076 8.3163 121.4305 55.6138 18.2928 179.5753 98 T 3.8516 8.0443 111.5259 65.0447 67.3873 176.4969 99 K 4.0049 7.8879 121.7855 59.4805 32.1436 178.6351 100 D 4.3857 8.1347 119.2514 57.2409 40.7255 178.6352 101 L 3.9870 8.0690 119.4918 57.9169 41.6600 179.8006 102 R 3.9318 8.0263 117.8348 59.3300 30.1318 178.8572 103 E 3.9588 8.2188 118.0988 59.5254 29.5035 179.3979 104 A 3.7024 8.2495 120.8170 55.0740 18.4265 179.8054 105 I 3.6744 7.9471 118.4545 64.2514 37.1694 178.5126 106 V 3.5779 7.8478 119.2275 66.4371 31.3224 177.5007 107 H 4.0433 7.9624 117.0206 59.4678 29.6455 176.6550 108 C 3.9067 8.0271 118.4536 62.9325 28.0141 175.6957 109 E 3.9312 8.1590 120.5020 59.5383 28.9682 178.7144 110 Q 3.9955 7.9268 117.9614 58.7406 29.1598 177.6629 111 V 3.9765 7.3035 110.2068 60.6625 31.8288 175.6057 112 H 3.1412 7.5523 114.2333 57.1353 26.5018 176.1185 113 D 4.4820 7.5607 121.1871 53.4409 39.2500 175.4043 114 Y 4.3612 7.6361 122.6505 60.3264 38.3252 177.4688 115 V 3.6819 7.8629 119.0619 66.0004 31.7245 178.1095 116 S 4.1718 8.3653 114.9862 61.4325 62.5531 176.5825 117 R 3.8856 7.9944 121.3580 59.5306 29.8766 178.0350 118 D 4.3249 8.3238 117.8560 57.1949 41.1951 177.9036 119 L 3.9381 8.0717 120.7841 58.3201 42.1201 179.0479 120 L 4.0135 8.1286 118.9413 57.4236 41.4029 179.3508 121 K 3.8970 8.3920 120.0061 59.7723 32.1522 178.4988 122 D 4.3689 8.0527 119.0087 57.5350 40.7161 179.0182 123 I 3.5602 7.6751 120.2989 64.1234 36.9902 178.2200 124 L 3.9715 8.2883 121.7283 58.0675 41.9129 178.6027 125 E 3.9195 8.5133 119.6567 59.3949 29.5598 178.8187 126 S 4.3355 7.9993 112.8095 61.4101 62.3793 175.9993 127 E 4.1427 8.4251 121.4586 59.3402 29.1170 179.1277 128 E 4.0198 8.5823 119.0672 59.3471 29.5004 179.1612 129 E 4.0399 8.4331 118.8043 59.6570 29.4684 178.8378 130 H 4.3585 8.3916 118.3254 59.4136 29.8634 177.4150 131 I 3.7235 8.0833 121.8542 64.1892 36.8845 177.6736 132 D 4.3493 8.5499 119.4140 57.6315 40.9618 177.7242 133 Y 4.1320 8.1379 119.6952 60.7975 38.7812 178.2219 134 L 3.7998 8.2578 119.7271 57.8371 41.7147 179.2138 135 E 3.8993 8.2931 118.5829 59.7912 29.4337 179.5104 136 T 3.7918 7.9247 115.5438 66.8336 68.5094 176.5963 137 Q 3.8201 7.8959 119.8491 58.8948 28.2324 178.9059 138 L 3.8712 7.7692 120.1194 57.6384 41.6180 179.7922 139 G 3.5910 8.2153 105.8595 47.7556 0.0000 175.7801 140 L 4.0393 7.8032 121.1953 57.4704 41.7990 179.2537 141 I 3.5539 7.4310 119.8618 64.7031 36.7601 178.4421 142 Q 4.0036 7.3872 117.0564 58.6543 28.6126 178.3987 143 K 4.1621 7.9572 118.7431 58.6382 32.4196 178.8930 144 V 4.1529 8.3566 110.0612 59.9472 32.8259 176.6842 145 G 4.0498 7.7099 106.7708 45.8451 0.0000 174.3149 146 L 3.9672 8.6027 123.5517 58.1891 42.0633 179.3961 147 E 3.9682 8.1431 117.8278 59.5621 29.4128 178.9789 148 N 4.3338 8.1207 116.0075 56.2771 38.4474 176.5821 149 Y 3.9553 7.9955 119.9675 60.7710 39.1483 177.9109 150 L 4.0639 8.2498 119.9411 57.7445 41.7260 179.1195 151 Q 3.9065 8.1424 119.4622 59.4714 28.8133 178.5320 152 S 4.2878 7.9851 113.0380 60.1350 63.0640 174.4526 153 H 4.6149 7.8708 118.9756 55.7087 29.6562 175.9825 154 M 4.1770 8.0483 121.4890 57.7547 32.0157 176.1741 155 H 5.0675 7.6346 114.0417 54.0715 30.4117 175.0794 156 E 4.1335 8.7086 121.5929 56.8108 29.2525 176.8815 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 3 G 8.30 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 4 D 8.52 4.17 0.00 2.85 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 9.51 3.97 0.00 1.84 1.78 0.00 1.76 0.00 0.00 1.82 0.00 0.00 2.94 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.49 1.51 7.81 6 K 8.06 4.27 0.00 2.09 1.57 0.00 2.13 0.00 0.00 1.70 0.00 0.00 2.83 0.00 0.00 2.72 0.00 0.00 0.00 0.00 1.52 0.92 7.81 7 V 8.59 3.65 2.25 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 1.13 0.00 0.00 1.01 0.00 0.00 8 I 7.83 3.71 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 0.50 0.90 0.00 0.00 9 Q 8.00 3.97 0.00 2.21 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.81 0.00 0.00 0.00 0.00 0.00 2.35 2.65 0.00 10 H 8.46 4.18 0.00 3.42 3.34 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 8.38 4.04 0.00 1.80 1.74 0.96 0.61 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 12 N 8.44 4.43 0.00 2.97 2.85 0.00 0.00 6.62 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 13 K 8.12 3.89 0.00 1.91 1.92 0.00 1.62 0.00 0.00 1.65 0.00 0.00 3.08 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.44 1.47 7.81 14 I 8.04 3.68 2.03 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 1.65 1.05 0.92 0.00 0.00 15 L 8.38 4.04 0.00 1.79 1.90 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 8.26 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 17 N 8.09 4.35 0.00 2.98 2.89 0.00 0.00 7.08 7.60 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 18 E 8.23 3.95 0.00 2.16 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 2.55 2.52 0.00 19 L 8.06 3.99 0.00 1.78 1.67 0.90 0.74 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 20 I 7.67 3.64 1.95 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 0.69 0.89 0.00 0.00 21 A 7.90 3.24 1.04 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 22 I 7.80 3.60 1.97 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 1.50 0.82 0.87 0.00 0.00 23 N 7.85 4.35 0.00 2.74 2.84 0.00 0.00 6.78 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 24 Q 8.12 3.85 0.00 2.05 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.80 0.00 0.00 0.00 0.00 0.00 2.42 2.33 0.00 25 Y 8.02 4.73 0.00 3.06 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 26 F 8.56 3.89 0.00 3.31 3.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 L 8.18 3.96 0.00 1.83 1.72 0.87 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 28 H 8.31 3.78 0.00 3.47 2.83 0.00 5.70 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 29 S 8.27 4.36 0.00 4.01 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 30 R 7.81 3.85 0.00 1.88 1.88 0.00 2.98 0.00 0.00 2.63 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.66 0.00 31 M 8.00 3.49 0.00 0.80 1.52 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.18 0.00 32 W 8.00 4.58 0.00 3.68 3.25 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 33 N 8.56 4.38 0.00 2.87 2.85 0.00 0.00 6.68 8.42 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 34 D 7.98 4.36 0.00 2.54 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 0.00 0.00 0.00 35 W 8.02 4.83 0.00 3.77 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 36 G 8.29 3.95 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 0.00 0.00 0.00 0.00 37 L 8.00 4.83 0.00 2.10 1.62 1.28 0.68 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 38 K 8.31 4.11 0.00 1.99 1.87 0.00 1.68 0.00 0.00 1.60 0.00 0.00 2.97 0.00 0.00 3.23 0.00 0.00 0.00 0.00 1.48 1.49 7.81 39 R 7.93 3.90 0.00 2.02 1.91 0.00 3.10 0.00 0.00 2.93 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.63 0.00 40 L 7.76 3.84 0.00 1.26 0.13 0.37 0.29 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 8.20 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 42 A 8.34 4.03 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 H 8.25 3.93 0.00 3.36 3.41 0.00 5.78 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 44 E 8.51 4.01 0.00 2.58 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 0.00 2.77 2.68 0.00 45 Y 8.10 4.06 0.00 3.03 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 46 H 8.12 3.96 0.00 3.29 3.23 0.00 5.87 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 47 E 8.06 3.90 0.00 1.95 1.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.11 0.00 48 S 8.20 4.25 0.00 4.11 4.06 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 49 I 7.58 3.60 1.78 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.44 0.83 0.00 0.00 50 D 8.09 4.29 0.00 2.81 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 51 E 8.22 4.15 0.00 2.21 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 0.00 2.73 2.66 0.00 52 M 8.05 4.01 0.00 2.04 2.24 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 2.79 2.55 0.00 53 K 8.05 3.98 0.00 1.86 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 1.59 7.81 54 H 8.05 4.30 0.00 3.38 3.34 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 8.26 3.99 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 D 8.12 4.28 0.00 2.80 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 7.95 3.94 0.00 2.06 1.88 0.00 1.76 0.00 0.00 1.67 0.00 0.00 2.98 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.47 1.50 7.81 58 L 8.04 3.98 0.00 1.89 1.73 0.97 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 59 I 8.29 3.70 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 0.84 0.92 0.00 0.00 60 E 8.39 4.02 0.00 2.15 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 2.51 0.00 61 R 8.14 4.05 0.00 2.06 2.10 0.00 3.34 0.00 0.00 3.23 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 8.04 3.76 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 0.71 0.93 0.00 0.00 63 L 8.02 4.00 0.00 1.98 1.77 0.98 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 64 F 8.12 4.32 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 7.99 3.94 0.00 1.71 1.58 0.99 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 66 E 7.86 3.64 0.00 2.05 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 2.17 2.12 0.00 67 G 8.08 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 68 L 8.00 4.50 0.00 1.62 1.62 0.91 0.99 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 69 P 0.00 4.30 0.00 2.04 2.00 0.00 3.66 0.00 0.00 3.80 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 9.47 4.61 0.00 2.61 2.84 0.00 0.00 7.16 7.70 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 71 L 8.25 4.54 0.00 1.63 1.65 0.91 0.94 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 72 Q 8.64 4.11 0.00 1.95 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.75 6.78 0.00 0.00 0.00 0.00 0.00 2.32 2.35 0.00 73 D 8.18 4.56 0.00 2.69 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 8.31 4.52 0.00 1.51 1.52 0.88 1.07 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 75 G 8.36 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 76 K 8.33 4.18 0.00 1.70 1.72 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 1.40 1.51 7.81 77 L 8.37 4.21 0.00 1.63 1.55 0.97 0.99 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 78 L 8.71 4.41 0.00 1.76 1.68 1.00 1.07 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 7.91 4.21 1.87 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 1.33 0.75 0.90 0.00 0.00 80 G 8.71 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 81 E 8.78 4.67 0.00 2.17 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.24 0.00 82 N 7.65 5.08 0.00 2.89 2.85 0.00 0.00 6.25 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 8.49 4.36 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 1.53 0.00 0.00 84 Q 8.17 3.99 0.00 2.11 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.91 0.00 0.00 0.00 0.00 0.00 2.41 2.41 0.00 85 E 8.98 4.06 0.00 2.19 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 2.35 2.58 0.00 86 M 8.62 4.00 0.00 1.20 1.92 0.00 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.12 0.00 87 L 8.36 4.21 0.00 1.75 1.75 0.90 0.88 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 8.04 3.99 0.00 2.22 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.81 0.00 0.00 0.00 0.00 0.00 2.37 2.46 0.00 89 C 8.60 4.25 0.00 3.28 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 8.42 4.67 0.00 2.98 2.78 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 91 L 8.19 4.02 0.00 1.85 1.85 0.94 0.68 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 92 N 8.64 4.32 0.00 2.93 2.89 0.00 0.00 6.65 6.36 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 93 L 8.01 4.02 0.00 1.84 1.96 0.91 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 94 E 8.43 4.07 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 2.65 2.46 0.00 95 L 8.29 4.06 0.00 1.84 1.74 0.94 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 96 K 8.10 3.96 0.00 1.92 1.95 0.00 1.54 0.00 0.00 1.66 0.00 0.00 3.04 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.45 1.51 7.81 97 A 8.32 4.01 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 98 T 8.04 3.85 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 1.25 0.00 0.00 99 K 7.89 4.00 0.00 1.85 1.92 0.00 1.70 0.00 0.00 1.66 0.00 0.00 2.94 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.58 1.49 7.81 100 D 8.13 4.39 0.00 2.93 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 8.07 3.99 0.00 2.02 1.73 0.93 0.89 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 8.03 3.93 0.00 2.03 1.99 0.00 3.15 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 1.86 0.00 103 E 8.22 3.96 0.00 2.23 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 2.36 2.36 0.00 104 A 8.25 3.70 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 7.95 3.67 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 0.97 0.93 0.00 0.00 106 V 7.85 3.58 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 1.01 0.00 0.00 1.00 0.00 0.00 107 H 7.96 4.04 0.00 3.28 3.17 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 8.03 3.91 0.00 3.15 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 0.00 109 E 8.16 3.93 0.00 2.24 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 0.00 2.37 2.45 0.00 110 Q 7.93 4.00 0.00 2.08 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.90 0.00 0.00 0.00 0.00 0.00 2.30 2.38 0.00 111 V 7.30 3.98 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.64 0.00 0.00 0.77 0.00 0.00 112 H 7.55 3.14 0.00 3.11 3.07 0.00 5.66 0.00 0.00 0.00 0.00 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 D 7.56 4.48 0.00 2.60 2.47 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 0.00 114 Y 7.64 4.36 0.00 3.10 2.93 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 0.00 115 V 7.86 3.68 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 1.00 0.00 0.00 116 S 8.37 4.17 0.00 4.19 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 7.99 3.89 0.00 1.96 2.23 0.00 3.23 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 1.68 1.69 0.00 118 D 8.32 4.32 0.00 3.04 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 0.00 119 L 8.07 3.94 0.00 1.92 1.88 0.95 0.55 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 0.00 120 L 8.13 4.01 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 1.78 0.00 0.00 0.00 0.00 0.00 0.00 121 K 8.39 3.90 0.00 1.92 2.02 0.00 1.66 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 1.65 7.81 122 D 8.05 4.37 0.00 2.91 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 0.00 123 I 7.68 3.56 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 1.16 0.97 0.80 0.00 0.00 124 L 8.29 3.97 0.00 1.79 1.86 0.98 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 0.00 125 E 8.51 3.92 0.00 2.07 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 8.00 4.34 0.00 3.98 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 127 E 8.43 4.14 0.00 2.08 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 0.00 2.61 2.53 0.00 128 E 8.58 4.02 0.00 2.16 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 2.51 0.00 129 E 8.43 4.04 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 2.37 2.56 0.00 130 H 8.39 4.36 0.00 3.27 3.51 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 8.08 3.72 2.08 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 0.57 0.94 0.00 0.00 132 D 8.55 4.35 0.00 2.89 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 0.00 133 Y 8.14 4.13 0.00 3.12 3.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 134 L 8.26 3.80 0.00 2.11 1.69 1.11 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 135 E 8.29 3.90 0.00 1.99 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 2.32 2.45 0.00 136 T 7.92 3.79 4.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 137 Q 7.90 3.82 0.00 1.85 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.80 0.00 0.00 0.00 0.00 0.00 1.24 2.02 0.00 138 L 7.77 3.87 0.00 1.74 1.62 0.83 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 139 G 8.22 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 140 L 7.80 4.04 0.00 1.85 1.86 1.00 0.71 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 0.00 141 I 7.43 3.55 1.74 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 1.02 -0.21 0.79 0.00 0.00 142 Q 7.39 4.00 0.00 2.16 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.99 0.00 0.00 0.00 0.00 0.00 2.51 2.49 0.00 143 K 7.96 4.16 0.00 1.73 1.86 0.00 1.67 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 1.45 1.68 7.81 144 V 8.36 4.15 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 0.77 0.00 0.00 1.12 0.00 0.00 145 G 7.71 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 0.00 0.00 0.00 146 L 8.60 3.97 0.00 1.76 1.69 0.95 0.96 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 0.00 147 E 8.14 3.97 0.00 2.05 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 8.12 4.33 0.00 3.08 2.88 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 8.00 3.96 0.00 3.02 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 0.00 150 L 8.25 4.06 0.00 1.74 1.72 0.93 1.13 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 0.00 151 Q 8.14 3.91 0.00 2.16 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.86 0.00 0.00 0.00 0.00 0.00 2.29 2.36 0.00 152 S 7.99 4.29 0.00 3.77 3.68 0.00 0.00 0.00 0.00 0.00 0.00 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 7.87 4.61 0.00 2.91 3.05 0.00 5.81 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 154 M 8.05 4.18 0.00 2.00 1.87 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.82 2.44 0.00 155 H 7.63 5.07 0.00 3.10 3.16 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 8.71 4.13 0.00 1.95 1.87 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 2.31 2.30 0.00