NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 5.0199 8.2348 115.3816 58.5373 64.7958 172.3367 2 N 5.0145 9.0985 117.2934 50.7368 42.4996 172.1756 3 R 5.3253 8.7196 122.0920 55.0298 34.5987 173.1590 4 A 5.3675 9.3578 125.9585 50.6077 23.5283 175.1772 5 V 4.5248 8.7330 117.6512 59.8800 35.2450 173.8913 6 A 5.1108 8.7512 125.1567 49.2555 21.6464 175.2609 7 V 4.2447 8.1744 123.3705 61.6845 32.9992 174.6865 8 L 4.5023 8.8029 129.8996 54.2450 43.0789 176.4132 9 R 4.8377 8.7807 122.8237 54.6624 33.7589 174.9383 10 G 4.1893 8.1688 107.6666 46.3868 0.0000 172.9138 11 E 4.2007 8.9822 120.5858 58.8198 29.6828 177.3306 12 T 4.5153 7.6535 108.6790 60.9741 69.3400 173.2213 13 V 4.4674 7.7069 120.4677 61.4814 33.2000 174.2898 14 T 4.8478 8.2295 115.5600 60.1017 73.1332 172.3941 15 G 4.2046 7.7544 107.8774 46.7559 0.0000 171.9774 16 T 5.1405 8.1231 115.5108 61.7973 72.8309 173.6223 17 I 4.9735 8.6454 126.7183 59.3489 40.6480 174.4846 18 W 5.1801 9.5843 127.2323 55.2031 31.6771 175.2191 19 I 5.2164 9.1090 124.6541 59.7742 39.7829 174.7074 20 T 5.1970 9.0705 116.9145 60.1336 72.3882 173.0086 21 Q 4.7562 8.8570 124.3496 55.0806 31.8476 175.6356 22 K 4.0317 9.1692 126.8020 59.4738 32.7121 176.6051 23 S 4.3083 7.6223 110.5739 57.9277 64.9899 175.7413 24 E 3.3743 7.6555 118.0298 58.3383 29.1692 177.3475 25 N 4.6085 7.5348 115.0235 53.3965 39.1974 174.5187 26 D 4.9426 7.4731 118.2716 52.2882 42.9777 176.3026 27 Q 4.4125 8.3434 119.9271 55.9059 29.7591 175.9941 28 A 4.4292 8.7292 124.4465 51.9777 20.0125 176.5503 29 V 4.6443 8.9755 122.7409 61.2976 33.8314 174.4801 30 I 5.1821 9.0819 129.5206 59.5642 39.8020 174.4894 31 E 5.1822 9.5457 124.9664 54.3705 33.2696 176.0037 32 G 4.0571 7.7812 107.2755 46.5672 0.0000 170.7923 33 E 5.1943 7.9625 118.6165 54.9803 34.6835 174.6573 34 I 5.0752 8.6882 123.4727 59.3213 41.0295 174.7803 35 K 4.8364 9.3218 125.3219 55.7593 36.1027 177.0759 36 G 3.8517 8.9112 107.4233 45.5557 0.0000 173.6724 37 L 4.3126 7.6336 120.0809 53.4760 42.6423 176.6168 38 T 4.2629 8.1887 111.6540 60.7457 69.4473 172.6408 39 P 4.3607 0.0000 0.0000 63.7811 32.1998 175.0273 40 G 3.7482 8.0893 107.0824 44.1005 0.0000 171.9987 41 L 5.0487 8.2118 119.2429 54.0558 43.2377 176.3162 42 H 5.0709 9.2074 119.7531 53.6511 32.8805 173.4005 43 G 4.0939 9.1832 110.9935 46.6907 0.0000 172.4412 44 F 5.5113 8.8269 124.7991 57.1553 42.7804 172.9609 45 H 4.9180 8.8803 122.2145 54.1068 33.9481 172.5312 46 V 4.3126 8.3705 121.0235 62.7395 32.4819 175.2967 47 H 5.1624 8.9456 125.2161 54.3186 30.8977 175.9741 48 Q 3.8203 8.9183 121.8816 58.7942 29.3533 176.0328 49 Y 4.9561 8.3324 115.6868 56.2230 41.2873 177.1274 50 G 3.8380 8.8350 109.4499 45.4721 0.0000 173.3896 51 D 4.2773 8.1594 119.7618 55.2215 41.1060 175.9146 52 S 5.1093 8.7262 119.5108 57.4007 63.3597 175.2939 53 T 3.9895 8.4540 113.2005 64.1778 68.9554 173.9465 54 N 4.9865 7.9523 121.7581 53.0976 40.2283 174.3463 55 G 3.7079 7.7085 110.2488 47.3751 0.0000 176.8501 56 C 4.5197 8.5814 118.8155 58.1082 35.2868 175.5991 57 I 3.7126 7.6983 121.8489 64.2075 36.4584 177.6811 58 S 4.4423 7.9180 111.2844 59.4955 63.3230 175.3868 59 A 4.6519 7.4811 126.4931 54.4230 18.2592 178.6690 60 G 4.0970 8.0601 105.6076 44.5619 0.0000 170.8274 61 P 4.7006 0.0000 0.0000 61.9197 33.8104 175.1706 62 H 4.4503 8.4094 116.5537 55.7434 29.4608 175.6665 63 F 4.2872 9.1186 125.7215 57.9612 40.3188 175.3109 64 N 4.8030 7.6211 125.4709 51.8095 38.9360 173.1741 65 P 3.9794 0.0000 0.0000 64.8075 32.0587 177.7552 66 F 4.7925 7.4413 115.7599 56.5487 39.4366 175.3017 67 G 3.7825 7.6798 107.9708 46.7422 0.0000 173.7708 68 K 4.4683 8.3415 118.0124 54.5460 34.4267 176.4713 69 T 4.4364 7.8707 110.2457 60.9358 70.6225 173.5034 70 H 4.0762 8.8641 122.8771 56.5895 31.0128 174.6754 71 G 4.4390 8.1491 111.0502 44.9164 0.0000 171.7754 72 G 4.1546 8.5275 109.7094 42.9930 0.0000 173.1091 73 P 4.3707 0.0000 0.0000 65.2027 31.0638 177.3936 74 K 4.3495 7.8130 115.4592 56.3573 32.7328 176.9515 75 S 4.3090 7.6347 115.9928 58.0680 63.3496 174.1433 76 E 3.9851 8.8504 124.6916 58.3781 30.0061 176.9508 77 I 4.4265 7.4831 120.2875 59.4266 38.7774 174.5688 78 R 4.9043 7.8675 119.4373 55.8166 32.0209 174.4350 79 H 4.4612 8.5605 116.0333 55.5407 29.5265 176.4743 80 V 3.5804 8.5069 122.7927 66.4650 31.5579 177.1166 81 G 3.8720 8.3645 105.0527 47.0752 0.0000 173.3621 82 D 5.0767 8.1493 121.4564 53.6805 40.1392 176.0584 83 L 4.3685 8.4560 121.8529 53.6107 42.4501 179.0643 84 G 3.9599 8.2709 106.9645 46.0708 0.0000 172.2724 85 N 5.5912 8.6430 120.1307 51.7370 41.1530 174.8026 86 V 4.4309 8.7460 115.2420 59.6735 35.0869 174.3875 87 E 5.0234 8.5271 123.1996 54.4633 32.0684 174.4472 88 A 4.4411 9.0801 130.1431 51.3009 20.5717 177.8120 89 G 4.1965 8.7071 111.3160 44.3312 0.0000 173.9424 90 A 3.9385 8.5938 121.2443 54.8712 18.3230 178.3033 91 D 4.5388 8.0866 112.8275 53.3871 40.1584 177.2799 92 G 4.3194 8.5636 109.2833 44.5096 0.0000 172.5626 93 V 4.7918 7.9595 120.1836 60.9534 33.7389 174.2248 94 A 5.1514 8.8749 130.0485 49.5148 21.0518 175.4224 95 K 4.7945 8.6049 122.5129 55.2333 33.8663 176.1546 96 I 4.4570 8.6675 125.9416 59.3473 40.1242 175.0105 97 K 4.7815 8.5537 128.4059 55.6114 33.8563 174.5887 98 L 5.1415 9.4355 127.6013 53.0244 46.3592 175.7799 99 T 5.2035 8.5351 110.4326 60.1688 71.8215 172.6894 100 D 4.9630 9.0896 122.4915 53.1773 44.6619 175.8931 101 T 4.4060 8.8450 113.8432 62.1824 69.9247 175.2403 102 L 4.5088 8.0553 121.1016 56.0819 43.1901 177.4077 103 V 3.8317 8.1752 118.7272 63.0912 32.0861 174.9639 104 T 4.9451 8.3348 119.8666 60.9236 70.4627 173.4348 105 L 4.5905 9.6231 125.1956 54.5259 41.7291 176.0584 106 Y 4.6370 7.8847 116.9371 57.0774 41.3182 177.0446 107 G 4.1287 8.6805 111.0104 44.2626 0.0000 172.3411 108 P 4.3651 0.0000 0.0000 64.9242 31.3856 177.1533 109 N 5.0008 8.0260 114.0084 52.9984 38.7660 174.8184 110 T 4.1792 7.4402 112.8432 62.8642 67.9008 174.4288 111 V 3.6011 8.3582 119.2945 61.3013 32.1516 176.5502 112 V 3.7061 7.2761 121.3034 64.3731 31.5566 176.2654 113 G 3.9388 9.1652 116.3192 45.3409 0.0000 173.6381 114 R 4.5296 7.5229 119.8353 55.0392 32.3707 175.0199 115 S 5.1817 7.8429 112.1623 57.7838 67.0711 172.8359 116 M 4.8745 8.7208 120.7561 53.8030 34.3744 175.3141 117 V 5.0479 8.7128 122.7752 61.0347 35.2098 174.3282 118 V 5.1753 8.6847 126.9071 60.4711 33.9655 174.5187 119 H 5.3719 8.9739 119.9588 54.0563 30.8254 174.7293 120 A 4.1966 9.2353 123.0483 54.3452 19.0067 177.8027 121 G 4.1076 8.2983 102.2243 44.3631 0.0000 172.5652 122 Q 4.7192 8.3072 120.2222 54.8547 29.9587 174.0155 123 D 4.8633 9.3354 125.9461 54.0306 41.8732 175.6139 124 D 4.5978 9.2231 125.7034 53.0873 39.8569 176.8669 125 L 3.3329 9.7747 119.3998 56.1046 39.5780 176.0075 126 G 4.0983 8.4971 104.3205 46.8939 0.0000 174.5723 127 E 4.4969 8.0180 117.1831 55.6080 29.7837 176.6896 128 G 3.7757 8.1654 109.5896 45.7639 0.0000 173.4016 129 V 4.4712 7.6900 113.4385 59.6025 36.7817 176.6878 130 G 3.8166 8.4105 108.6976 46.6377 0.0000 176.3257 131 D 4.4917 8.7978 122.1875 55.2076 39.6647 177.9689 132 K 4.2551 7.8569 119.0049 57.2596 32.3751 178.5040 133 A 4.1886 7.9197 123.6137 54.4786 17.7852 179.0712 134 E 3.8389 8.1198 117.3221 59.6681 29.7681 178.6425 135 E 4.1696 8.1124 118.6831 59.0266 29.8665 178.2231 136 S 4.1153 8.1239 113.5050 61.3672 62.3717 175.7940 137 K 4.3125 8.0142 118.4401 57.2868 31.7088 178.4388 138 K 4.2572 7.2047 118.9844 57.6488 33.1069 177.1752 139 T 4.1040 7.8933 105.8351 59.8373 70.2070 175.0971 140 G 4.1232 8.2287 110.2270 45.6203 0.0000 173.6762 141 N 4.3114 7.7867 113.7933 54.1114 36.7136 175.0492 142 A 4.3941 7.0095 118.9858 51.5614 19.4389 180.0482 143 G 3.9940 7.9569 103.7185 44.6435 0.0000 173.2973 144 A 4.2262 8.3475 120.6699 52.2534 19.9735 177.6481 145 R 4.3291 8.4854 119.1632 55.6913 29.8245 176.3891 146 A 4.4061 9.1393 127.2525 54.1244 20.3929 176.6559 147 A 4.8281 7.6787 114.5506 51.4163 22.8258 174.3071 148 C 5.4132 9.0655 113.3004 54.4918 46.6973 173.1720 149 G 4.6833 8.7085 105.8221 44.9241 0.0000 172.2802 150 V 4.2549 8.2586 122.1597 62.3805 33.2901 175.2260 151 I 4.1588 8.8808 129.1043 61.1690 37.7073 174.5520 152 A 4.9096 8.7497 130.2975 49.5946 21.3188 175.8009 153 L 4.3117 8.5235 123.5261 55.3082 42.7812 175.9106 154 A 5.0000 8.6459 126.2126 49.5106 22.6624 175.7061 155 A 4.0415 8.6560 122.3276 51.6192 19.0524 176.3604 156 P 4.4587 0.0000 0.0000 62.8344 31.3709 176.4044 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 1 S 8.23 5.02 0.00 4.09 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2 N 9.10 5.01 0.00 2.39 2.50 0.00 0.00 6.76 6.78 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 3 R 8.72 5.33 0.00 1.90 1.78 0.00 3.14 0.00 0.00 3.56 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 2.00 0.00 4 A 9.36 5.37 1.20 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 0.00 0.00 5 V 8.73 4.52 0.67 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 0.47 0.00 0.00 -0.45 0.00 0.00 6 A 8.75 5.11 1.18 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 0.00 0.00 7 V 8.17 4.24 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 0.93 0.00 0.00 0.79 0.00 0.00 8 L 8.80 4.50 0.00 1.64 1.57 1.00 0.72 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 9 R 8.78 4.84 0.00 1.67 1.75 0.00 3.13 0.00 0.00 3.15 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.51 0.00 10 G 8.17 4.19 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 0.00 0.00 0.00 0.00 0.00 0.00 11 E 8.98 4.20 0.00 1.91 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 2.29 2.36 0.00 12 T 7.65 4.52 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 13 V 7.71 4.47 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 0.92 0.00 0.00 0.91 0.00 0.00 14 T 8.23 4.85 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 1.19 0.00 0.00 15 G 7.75 4.20 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 0.00 0.00 0.00 16 T 8.12 5.14 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 0.96 0.00 0.00 17 I 8.65 4.97 1.92 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 1.27 1.22 1.10 0.00 0.00 18 W 9.58 5.18 0.00 3.39 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 19 I 9.11 5.22 1.93 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 1.36 0.92 0.98 0.00 0.00 20 T 9.07 5.20 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 1.27 0.00 0.00 21 Q 8.86 4.76 0.00 2.27 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.84 0.00 0.00 0.00 0.00 0.00 2.62 2.71 0.00 22 K 9.17 4.03 0.00 2.01 1.86 0.00 1.76 0.00 0.00 1.88 0.00 0.00 2.96 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.56 1.46 7.81 23 S 7.62 4.31 0.00 3.76 3.85 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 24 E 7.66 3.37 0.00 1.90 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 2.00 2.17 0.00 25 N 7.53 4.61 0.00 2.67 2.85 0.00 0.00 6.89 8.43 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 26 D 7.47 4.94 0.00 2.79 2.59 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 27 Q 8.34 4.41 0.00 1.97 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.94 0.00 0.00 0.00 0.00 0.00 2.39 2.39 0.00 28 A 8.73 4.43 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 29 V 8.98 4.64 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.97 0.00 0.00 30 I 9.08 5.18 1.99 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.74 1.10 0.00 0.00 31 E 9.55 5.18 0.00 2.10 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 2.31 2.37 0.00 32 G 7.78 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 0.00 0.00 0.00 33 E 7.96 5.19 0.00 1.92 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 2.22 2.31 0.00 34 I 8.69 5.08 1.74 0.00 0.00 0.52 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 0.53 0.87 0.00 0.00 35 K 9.32 4.84 0.00 1.71 1.86 0.00 1.33 0.00 0.00 1.64 0.00 0.00 2.86 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.28 1.33 7.81 36 G 8.91 3.85 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 0.00 0.00 0.00 37 L 7.63 4.31 0.00 1.79 1.36 0.77 0.41 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 38 T 8.19 4.26 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 1.24 0.00 0.00 39 P 0.00 4.36 0.00 2.07 2.05 0.00 3.67 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.23 0.00 40 G 8.09 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 41 L 8.21 5.05 0.00 1.64 1.60 0.93 0.94 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 42 H 9.21 5.07 0.00 3.01 3.31 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 43 G 9.18 4.09 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 0.00 0.00 0.00 44 F 8.83 5.51 0.00 2.99 2.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 H 8.88 4.92 0.00 3.05 3.04 0.00 5.85 0.00 0.00 0.00 0.00 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 V 8.37 4.31 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 0.98 0.00 0.00 0.83 0.00 0.00 47 H 8.95 5.16 0.00 3.11 3.46 0.00 5.69 0.00 0.00 0.00 0.00 6.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 Q 8.92 3.82 0.00 1.85 1.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.56 6.65 0.00 0.00 0.00 0.00 0.00 1.16 2.07 0.00 49 Y 8.33 4.96 0.00 3.25 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 50 G 8.83 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 D 8.16 4.28 0.00 2.59 2.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 S 8.73 5.11 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 53 T 8.45 3.99 4.22 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 1.23 0.00 0.00 54 N 7.95 4.99 0.00 2.78 2.72 0.00 0.00 6.91 8.10 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 55 G 7.71 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 C 8.58 4.52 0.00 2.97 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 57 I 7.70 3.71 2.00 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 1.59 1.12 0.92 0.00 0.00 58 S 7.92 4.44 0.00 4.15 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 59 A 7.48 4.65 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 60 G 8.06 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 0.00 0.00 0.00 61 P 0.00 4.70 0.00 2.04 2.19 0.00 3.80 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.98 0.00 62 H 8.41 4.45 0.00 2.81 3.17 0.00 5.72 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 F 9.12 4.29 0.00 2.91 2.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 N 7.62 4.80 0.00 2.58 2.41 0.00 0.00 6.95 7.71 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 65 P 0.00 3.98 0.00 1.36 1.56 0.00 2.75 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 0.69 0.00 66 F 7.44 4.79 0.00 3.01 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 67 G 7.68 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 68 K 8.34 4.47 0.00 1.86 1.76 0.00 1.72 0.00 0.00 1.78 0.00 0.00 3.04 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.48 1.66 7.81 69 T 7.87 4.44 4.22 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 1.21 0.00 0.00 70 H 8.86 4.08 0.00 3.38 3.29 0.00 5.75 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 71 G 8.15 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 0.00 0.00 0.00 0.00 72 G 8.53 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 0.00 0.00 0.00 73 P 0.00 4.37 0.00 2.22 2.24 0.00 3.78 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 2.02 2.15 0.00 74 K 7.81 4.35 0.00 1.77 1.89 0.00 1.78 0.00 0.00 1.72 0.00 0.00 3.00 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.40 1.40 7.81 75 S 7.63 4.31 0.00 3.98 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 E 8.85 3.99 0.00 1.89 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 0.00 2.28 2.38 0.00 77 I 7.48 4.43 1.85 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 1.45 0.78 0.89 0.00 0.00 78 R 7.87 4.90 0.00 1.95 1.80 0.00 2.85 0.00 0.00 2.25 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.60 0.00 79 H 8.56 4.46 0.00 3.52 3.39 0.00 5.66 0.00 0.00 0.00 0.00 6.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 V 8.51 3.58 1.65 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 0.88 0.00 0.00 0.75 0.00 0.00 81 G 8.36 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 82 D 8.15 5.08 0.00 2.70 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 83 L 8.46 4.37 0.00 1.71 1.81 0.60 0.84 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 84 G 8.27 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 85 N 8.64 5.59 0.00 2.63 2.76 0.00 0.00 6.62 7.68 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 86 V 8.75 4.43 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.31 0.00 0.00 0.85 0.00 0.00 87 E 8.53 5.02 0.00 2.01 1.78 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 2.26 2.28 0.00 88 A 9.08 4.44 1.27 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 0.00 0.00 89 G 8.71 4.20 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 0.00 0.00 0.00 90 A 8.59 3.94 1.29 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 0.00 0.00 0.00 91 D 8.09 4.54 0.00 2.79 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 92 G 8.56 4.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 V 7.96 4.79 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 0.99 0.00 0.00 0.95 0.00 0.00 94 A 8.87 5.15 1.13 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 95 K 8.60 4.79 0.00 1.64 1.74 0.00 1.69 0.00 0.00 1.70 0.00 0.00 3.10 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.38 1.44 7.81 96 I 8.67 4.46 1.81 0.00 0.00 0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.76 0.93 0.00 0.00 97 K 8.55 4.78 0.00 1.73 1.70 0.00 1.73 0.00 0.00 1.72 0.00 0.00 2.92 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.35 1.50 7.81 98 L 9.44 5.14 0.00 1.65 1.55 1.13 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 99 T 8.54 5.20 4.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 100 D 9.09 4.96 0.00 2.81 2.52 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.85 4.41 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 102 L 8.06 4.51 0.00 1.84 1.87 1.00 0.96 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 0.00 103 V 8.18 3.83 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 0.00 0.00 1.05 0.00 0.00 104 T 8.33 4.95 4.37 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 1.40 0.00 0.00 105 L 9.62 4.59 0.00 1.49 1.47 0.98 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 106 Y 7.88 4.64 0.00 3.04 2.82 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 0.00 107 G 8.68 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 0.00 108 P 0.00 4.37 0.00 2.12 2.17 0.00 3.74 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.15 0.00 109 N 8.03 5.00 0.00 2.83 2.87 0.00 0.00 6.85 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 0.00 110 T 7.44 4.18 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 1.22 0.00 0.00 111 V 8.36 3.60 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.68 0.00 0.00 0.94 0.00 0.00 112 V 7.28 3.71 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 0.67 0.00 0.00 0.86 0.00 0.00 113 G 9.17 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 R 7.52 4.53 0.00 1.72 1.85 0.00 2.21 0.00 0.00 2.30 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.32 0.00 115 S 7.84 5.18 0.00 3.78 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 M 8.72 4.87 0.00 1.98 2.00 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.51 0.00 117 V 8.71 5.05 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 0.83 0.00 0.00 0.72 0.00 0.00 118 V 8.68 5.18 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 0.82 0.00 0.00 0.97 0.00 0.00 119 H 8.97 5.37 0.00 3.21 3.52 0.00 5.66 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 A 9.24 4.20 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 0.00 0.00 0.00 0.00 0.00 0.00 121 G 8.30 4.11 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 0.00 0.00 0.00 122 Q 8.31 4.72 0.00 2.18 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.36 7.07 0.00 0.00 0.00 0.00 0.00 2.41 2.47 0.00 123 D 9.34 4.86 0.00 2.72 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 0.00 124 D 9.22 4.60 0.00 2.92 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 0.00 125 L 9.77 3.33 0.00 1.86 1.79 0.94 0.98 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 0.00 126 G 8.50 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 0.00 0.00 0.00 127 E 8.02 4.50 0.00 2.10 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 2.44 2.38 0.00 128 G 8.17 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 0.00 129 V 7.69 4.47 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 0.99 0.00 0.00 0.93 0.00 0.00 130 G 8.41 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 0.00 131 D 8.80 4.49 0.00 2.80 2.82 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 0.00 132 K 7.86 4.26 0.00 1.89 1.88 0.00 1.69 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.42 1.59 7.81 133 A 7.92 4.19 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 134 E 8.12 3.84 0.00 2.04 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 0.00 2.37 2.37 0.00 135 E 8.11 4.17 0.00 2.11 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 2.42 2.40 0.00 136 S 8.12 4.12 0.00 4.12 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 0.00 137 K 8.01 4.31 0.00 1.83 1.82 0.00 1.70 0.00 0.00 1.73 0.00 0.00 2.98 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.60 1.62 7.81 138 K 7.20 4.26 0.00 1.95 1.78 0.00 1.62 0.00 0.00 1.73 0.00 0.00 3.07 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.38 1.58 7.81 139 T 7.89 4.10 4.16 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 1.20 0.00 0.00 140 G 8.23 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 0.00 141 N 7.79 4.31 0.00 2.98 2.91 0.00 0.00 6.85 8.48 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 0.00 142 A 7.01 4.39 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 143 G 7.96 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 0.00 0.00 0.00 144 A 8.35 4.23 1.28 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 0.00 0.00 145 R 8.49 4.33 0.00 1.67 1.81 0.00 3.20 0.00 0.00 3.16 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.64 0.00 146 A 9.14 4.41 1.31 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 0.00 0.00 147 A 7.68 4.83 1.23 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 0.00 0.00 148 C 9.07 5.41 0.00 2.94 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 0.00 149 G 8.71 4.68 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 0.00 0.00 0.00 150 V 8.26 4.25 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 0.96 0.00 0.00 0.97 0.00 0.00 151 I 8.88 4.16 1.92 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 1.09 0.35 0.84 0.00 0.00 152 A 8.75 4.91 1.13 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 0.00 153 L 8.52 4.31 0.00 1.61 1.56 0.86 0.92 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 0.00 154 A 8.65 5.00 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 0.00 155 A 8.66 4.04 1.29 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 0.00 0.00 0.00 156 P 0.00 4.46 0.00 2.07 2.14 0.00 3.73 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.09 0.00