NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -2 S 4.4804 8.1933 116.7940 58.2062 63.8942 174.2605 -1 N 4.2339 8.4584 117.8415 55.5899 38.1905 175.7673 0 A 4.0561 8.3093 122.3338 55.7217 18.7110 178.7677 1 M 4.0077 8.0288 115.5058 59.0370 32.3527 178.4955 2 S 4.1444 7.7470 114.4485 61.6766 62.9024 176.4409 3 M 4.0361 9.4586 121.5113 58.5106 31.7423 178.5552 4 A 4.0095 8.0929 120.6692 55.3884 18.4455 179.0111 5 Y 3.9861 8.3573 118.0333 61.0213 38.8842 178.2491 6 E 4.0871 8.4928 119.5678 59.3486 29.5520 178.9105 7 E 3.9215 8.5011 119.5908 59.3696 29.6908 178.3053 8 Y 4.2948 8.2263 119.5983 61.1734 39.0352 177.9019 9 M 3.7560 8.1127 119.8199 58.0428 31.7298 178.5948 10 R 3.7855 8.2224 118.5161 59.6987 30.3651 178.3448 11 Q 4.1089 8.0914 117.6902 58.9042 28.5048 178.5968 12 L 3.9263 7.5580 118.8598 57.0217 41.9003 178.9588 13 V 3.7599 7.4224 117.4189 64.3515 31.3961 177.8182 14 V 3.5235 7.3167 118.8212 65.9001 31.3439 176.1777 15 P 4.3586 0.0000 0.0000 66.0105 30.7881 178.0571 16 M 4.2025 7.8159 117.9110 57.8598 32.0148 178.6487 17 R 4.2498 7.8454 118.0601 59.4119 30.6777 178.7663 18 R 4.4277 8.3009 119.4787 58.5984 29.7635 178.4179 19 E 3.9126 7.9056 118.4093 59.3917 29.7783 178.6565 20 L 4.0095 7.7023 118.1047 57.6066 42.1237 179.1970 21 T 4.9803 7.6977 111.4554 64.1869 68.6332 176.5161 22 G 3.7157 8.5285 109.0303 46.9898 0.0000 173.6449 23 A 4.5815 8.1895 122.2493 51.8580 19.0829 177.9186 24 G 3.9327 8.2482 106.4526 46.1745 0.0000 174.2313 25 F 4.4123 8.1542 119.5188 56.4066 40.1655 174.2426 26 E 4.4807 8.9125 126.2856 55.8035 30.6697 175.5494 27 E 4.5574 8.8545 127.0039 56.3162 30.4767 176.1545 28 L 4.8262 8.7934 125.4417 53.4779 43.0150 176.3959 29 T 4.6726 9.4721 113.3075 60.8775 69.5913 175.2561 30 T 4.7013 7.3739 118.1932 61.0387 73.8770 174.2337 31 A 4.0201 8.7309 126.2589 55.3735 18.3764 179.8935 32 E 3.9241 8.1249 117.2987 59.5362 29.8679 178.6732 33 E 4.0605 8.1971 118.1969 59.3262 29.4370 179.4374 34 V 3.6400 8.0790 118.3772 65.9750 31.6287 177.8445 35 E 4.1410 8.1834 119.5925 58.9839 28.9233 178.7703 36 N 4.2679 8.5349 116.7789 56.5724 38.6593 177.0386 37 F 3.9515 8.3424 121.3455 61.7846 39.3764 177.0495 38 M 3.6835 8.0767 117.1686 58.2318 31.7713 178.1404 39 E 4.2007 8.4385 116.7565 57.5645 29.8329 177.3925 40 K 4.3373 6.9661 116.0446 55.7181 34.4099 176.5475 41 A 3.5832 7.2965 121.9240 52.4635 18.5367 176.6649 42 E 4.6304 8.0511 120.7533 55.3564 34.0317 178.0834 43 G 3.7977 8.4364 108.8746 46.1201 0.0000 172.2254 44 T 5.1153 8.6128 111.3564 60.9652 71.3711 174.6697 45 T 5.1668 8.6554 119.3546 61.9111 73.1982 172.4888 46 L 4.8917 8.8585 128.6696 53.8661 43.7862 175.0151 47 V 4.8679 9.3208 127.6025 61.3029 33.9312 174.3360 48 V 4.5808 8.7636 128.0336 61.1520 34.0216 174.5947 49 V 4.0948 8.9369 129.4743 61.9286 32.0903 175.0148 50 N 4.6702 9.1433 128.0642 53.3652 40.4539 173.1779 51 S 4.7249 7.2005 113.6058 57.6321 64.7172 175.2543 52 V 3.9614 8.7969 123.2161 64.6650 31.8624 176.7455 53 C 4.5303 7.8803 115.3069 57.9629 31.4709 174.5167 54 G 3.7150 8.6647 108.2966 48.2001 0.0000 175.2805 55 C 4.5003 8.0116 114.9562 59.9055 29.9606 175.6787 56 A 3.8754 7.7336 124.1362 55.0513 17.7335 179.4485 57 A 3.9624 7.8812 117.8399 55.1625 18.7317 179.4761 58 G 3.7838 8.4607 102.4926 46.0174 0.0000 173.8480 59 L 4.5181 7.5590 117.9099 55.9337 44.3571 178.4428 60 A 3.8783 8.0858 119.9015 55.2327 18.3374 179.7718 61 R 3.6588 8.1260 116.4622 58.9863 30.2108 177.6756 62 P 4.1990 0.0000 0.0000 65.4230 31.2811 178.5804 63 A 3.9463 8.1557 119.4659 54.9663 18.1529 179.5760 64 A 3.9985 8.1078 119.6348 55.6388 18.2935 180.0548 65 T 4.1318 7.8825 108.3572 64.9369 68.9423 177.0287 66 Q 4.0251 8.2504 120.7873 58.5811 28.9028 178.1702 67 A 4.0763 8.3193 122.0822 55.3516 18.2079 179.9258 68 V 3.7112 7.7636 115.5802 65.6970 31.6686 177.6220 69 L 4.3329 7.5712 117.4412 56.2904 41.9120 178.1047 70 Q 4.3402 8.0443 116.6148 56.0674 29.8656 175.7796 71 N 4.6302 7.5798 117.9502 52.7920 39.8047 174.1631 72 D 4.4238 8.7678 125.2056 57.2781 41.5880 176.4091 73 K 4.2686 7.8476 117.4731 56.0355 32.7752 176.3465 74 T 4.1574 7.9027 116.8513 59.2861 70.5897 171.4716 75 P 4.8391 0.0000 0.0000 62.0028 31.9741 176.6141 76 D 4.5168 8.5360 120.9959 56.7684 41.4273 176.3466 77 N 5.2523 8.6415 114.7322 51.4690 42.8746 173.9639 78 T 4.8009 7.9187 110.0385 60.2482 72.0340 173.1051 79 V 4.7366 8.7135 117.4727 60.5616 36.9124 173.3064 80 T 5.1450 9.0639 115.8858 60.9029 71.3071 172.8301 81 V 4.6997 8.5603 119.2403 59.5735 35.8587 174.8076 82 F 4.7887 8.7267 126.1859 56.0885 40.4159 174.5445 83 A 4.3216 8.5788 130.0665 53.4615 18.8216 178.2976 84 G 4.1865 9.0949 110.3185 45.4808 0.0000 174.3280 85 Q 4.3321 7.9932 116.0578 57.3689 29.7791 176.5627 86 D 4.8429 8.0599 121.5566 52.4676 40.1802 177.1666 87 K 4.0548 8.2133 123.0750 59.3659 32.4975 178.4146 88 E 3.9818 8.1730 118.2148 59.0062 29.4044 178.8931 89 A 4.0322 8.0142 120.6897 55.6056 18.4772 179.7186 90 T 3.8333 8.0184 107.9655 64.7745 68.5273 176.5005 91 A 3.9595 8.2535 123.7833 54.8065 18.1444 179.5730 92 K 3.9112 7.9592 117.1437 59.8016 32.6318 178.3902 93 M 4.1698 8.2393 118.6463 58.8567 32.1650 178.4609 94 R 3.3990 8.1438 118.2310 58.9068 29.9152 178.7389 95 E 3.8978 7.5787 117.4208 59.3081 29.6908 178.3169 96 Y 4.2429 7.9564 115.9282 59.0271 39.3070 175.7348 97 F 5.0941 7.8845 121.9246 56.0923 37.8966 175.8999 98 T 3.9762 7.6445 116.9290 65.4830 69.2230 173.9040 99 G 3.9980 9.0796 113.4981 45.4200 0.0000 173.7420 100 A 3.9617 7.4854 121.5327 51.2060 19.1292 177.1007 101 A 4.3935 8.1967 124.6289 50.5747 19.6469 175.6435 102 P 4.6111 0.0000 0.0000 62.8658 32.1140 175.8893 103 S 4.6432 8.3727 114.2342 57.9290 65.5442 173.5961 104 S 4.6491 8.1460 114.9767 56.5369 65.0045 172.1942 105 P 4.8116 0.0000 0.0000 63.2244 33.0721 174.8301 106 S 4.6142 8.4331 114.0473 57.9391 67.1001 172.7797 107 M 5.2283 8.4175 118.3573 53.5604 36.4520 174.3968 108 A 4.9565 8.8377 123.6240 49.9586 22.7863 174.6130 109 L 4.8711 9.0853 124.9964 54.0488 43.6784 175.4369 110 L 5.2338 9.3514 127.0027 53.0050 44.8971 175.2884 111 K 4.8373 9.0169 123.5759 54.2992 34.5785 175.9881 112 G 3.7044 8.7810 117.7618 47.1068 0.0000 173.9393 113 K 4.4482 8.8528 122.6880 56.0061 32.8242 174.8344 114 E 4.5360 8.1999 121.5048 54.7001 30.6959 175.4375 115 V 4.1842 8.4722 126.2145 63.2934 31.9822 175.6468 116 V 4.4004 8.6965 119.6643 61.6692 33.6923 175.4324 117 H 4.8198 7.8441 119.6625 54.8764 33.2196 171.7711 118 F 5.0521 8.4823 126.9321 56.4623 42.5735 174.4472 119 I 4.2957 7.8211 126.2958 58.4873 39.1842 173.6377 120 P 4.5539 0.0000 0.0000 61.3906 32.7030 177.5810 121 R 3.9726 8.9027 118.6157 59.0146 29.7854 177.8761 122 H 4.5335 8.0409 110.6000 57.1749 28.7915 175.2106 123 E 4.1856 7.8622 120.1304 56.6315 30.2160 175.5804 124 I 4.1923 7.1812 116.4986 63.4128 39.3272 175.1816 125 E 4.0854 8.3321 121.1608 57.5944 29.8127 177.5847 126 G 3.8932 8.8509 112.7208 45.8959 0.0000 172.7602 127 H 4.7678 7.7378 116.0850 54.3625 31.1215 173.8895 128 D 4.9987 8.0272 119.7378 51.6205 42.9910 176.8462 129 M 3.8049 8.4346 119.7231 58.8749 31.9713 178.3935 130 E 3.8755 8.2796 118.3904 59.6597 29.6765 178.7242 131 E 3.9498 8.4323 118.1059 59.6004 29.5157 179.5580 132 I 3.6992 7.6391 119.7869 64.5545 37.1821 178.4700 133 M 3.9701 8.5515 120.0053 58.1489 31.7575 178.6969 134 K 4.0790 8.0489 121.1949 58.6466 32.2467 178.3758 135 N 4.1548 7.9836 117.4105 56.5864 38.9415 176.7499 136 L 3.5502 7.7598 120.4735 57.9486 41.1852 179.8140 137 T 3.6146 8.0551 109.6763 64.5926 68.7766 176.4284 138 A 3.9663 7.9438 123.3800 54.6338 18.3825 179.5676 139 A 3.8708 7.4998 119.0777 55.2824 18.4537 179.7190 140 F 4.5019 8.2933 116.7767 61.1885 38.7788 177.7486 141 D 4.4613 8.3815 117.4192 57.2220 40.6618 178.3908 142 A 4.1087 7.7873 120.4420 54.4760 18.4155 177.8895 143 H 4.7919 8.1135 111.7567 56.0799 31.4950 173.6200 144 C 4.3005 8.6572 121.3072 59.8222 28.0335 173.2823 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 S 8.19 4.48 0.00 3.90 3.89 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 -1 N 8.46 4.23 0.00 2.89 2.86 0.00 0.00 6.67 6.65 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 A 8.31 4.06 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 1 M 8.03 4.01 0.00 2.15 2.10 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.73 2.72 0.00 2 S 7.75 4.14 0.00 4.14 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 3 M 9.46 4.04 0.00 2.05 2.26 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.86 0.00 4 A 8.09 4.01 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 5 Y 8.36 3.99 0.00 3.25 3.10 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 6 E 8.49 4.09 0.00 2.28 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 2.43 2.56 0.00 7 E 8.50 3.92 0.00 2.10 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 2.33 2.40 0.00 8 Y 8.23 4.29 0.00 2.99 2.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 M 8.11 3.76 0.00 1.95 2.10 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.15 0.00 10 R 8.22 3.79 0.00 1.91 2.12 0.00 3.24 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 1.59 1.62 0.00 11 Q 8.09 4.11 0.00 2.29 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.59 0.00 0.00 0.00 0.00 0.00 2.61 2.59 0.00 12 L 7.56 3.93 0.00 1.37 1.53 0.17 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 13 V 7.42 3.76 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 0.45 0.00 0.00 0.83 0.00 0.00 14 V 7.32 3.52 2.20 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 1.05 0.00 0.00 0.97 0.00 0.00 15 P 0.00 4.36 0.00 2.30 2.29 0.00 3.84 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.04 0.00 16 M 7.82 4.20 0.00 2.28 2.54 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.62 0.00 17 R 7.85 4.25 0.00 2.05 2.03 0.00 3.11 0.00 0.00 3.52 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.93 0.00 18 R 8.30 4.43 0.00 1.83 2.01 0.00 3.16 0.00 0.00 3.20 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.52 0.00 19 E 7.91 3.91 0.00 2.07 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 2.24 2.33 0.00 20 L 7.70 4.01 0.00 1.75 1.42 0.67 0.07 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 21 T 7.70 4.98 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 1.29 0.00 0.00 22 G 8.53 3.72 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 0.00 0.00 0.00 23 A 8.19 4.58 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 24 G 8.25 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 0.00 0.00 0.00 25 F 8.15 4.41 0.00 3.02 3.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 E 8.91 4.48 0.00 1.99 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 0.00 2.21 2.26 0.00 27 E 8.85 4.56 0.00 1.92 1.90 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 2.38 2.39 0.00 28 L 8.79 4.83 0.00 1.48 1.61 0.74 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 29 T 9.47 4.67 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 1.24 0.00 0.00 30 T 7.37 4.70 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 1.30 0.00 0.00 31 A 8.73 4.02 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 E 8.12 3.92 0.00 2.16 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 2.37 1.97 0.00 33 E 8.20 4.06 0.00 2.23 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 2.43 2.40 0.00 34 V 8.08 3.64 2.30 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 1.20 0.00 0.00 1.01 0.00 0.00 35 E 8.18 4.14 0.00 2.29 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 2.48 2.36 0.00 36 N 8.53 4.27 0.00 3.00 2.95 0.00 0.00 6.73 7.80 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 37 F 8.34 3.95 0.00 3.15 3.05 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 38 M 8.08 3.68 0.00 1.13 1.61 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 2.76 0.00 39 E 8.44 4.20 0.00 1.93 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 2.64 2.54 0.00 40 K 6.97 4.34 0.00 1.37 1.71 0.00 1.70 0.00 0.00 1.68 0.00 0.00 2.98 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.31 1.42 7.81 41 A 7.30 3.58 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 E 8.05 4.63 0.00 1.86 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 2.15 2.19 0.00 43 G 8.44 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 T 8.61 5.12 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 1.23 0.00 0.00 45 T 8.66 5.17 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 1.37 0.00 0.00 46 L 8.86 4.89 0.00 1.84 1.55 1.15 1.42 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 47 V 9.32 4.87 2.36 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 1.21 0.00 0.00 1.12 0.00 0.00 48 V 8.76 4.58 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 0.97 0.00 0.00 49 V 8.94 4.09 2.31 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 0.89 0.00 0.00 1.15 0.00 0.00 50 N 9.14 4.67 0.00 2.45 1.58 0.00 0.00 6.37 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 51 S 7.20 4.72 0.00 3.80 3.54 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 0.00 0.00 0.00 0.00 52 V 8.80 3.96 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 0.91 0.00 0.00 1.11 0.00 0.00 53 C 7.88 4.53 0.00 3.23 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 54 G 8.66 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 55 C 8.01 4.50 0.00 3.15 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 56 A 7.73 3.88 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 57 A 7.88 3.96 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 58 G 8.46 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 59 L 7.56 4.52 0.00 1.78 1.60 1.02 0.78 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 60 A 8.09 3.88 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 61 R 8.13 3.66 0.00 1.81 1.85 0.00 3.00 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.67 0.00 62 P 0.00 4.20 0.00 2.12 2.06 0.00 3.59 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.14 0.00 63 A 8.16 3.95 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 64 A 8.11 4.00 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 65 T 7.88 4.13 4.30 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 1.00 0.00 0.00 66 Q 8.25 4.03 0.00 2.24 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.83 0.00 0.00 0.00 0.00 0.00 2.39 2.42 0.00 67 A 8.32 4.08 1.44 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 68 V 7.76 3.71 2.45 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 0.85 0.00 0.00 1.02 0.00 0.00 69 L 7.57 4.33 0.00 1.69 1.74 0.99 0.88 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 70 Q 8.04 4.34 0.00 2.18 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.03 6.86 0.00 0.00 0.00 0.00 0.00 2.35 2.44 0.00 71 N 7.58 4.63 0.00 3.06 3.02 0.00 0.00 7.14 8.25 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 72 D 8.77 4.42 0.00 2.67 2.70 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 0.00 0.00 0.00 0.00 73 K 7.85 4.27 0.00 2.05 1.78 0.00 1.79 0.00 0.00 1.66 0.00 0.00 2.93 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.44 1.43 7.81 74 T 7.90 4.16 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 1.09 0.00 0.00 75 P 0.00 4.84 0.00 1.95 1.78 0.00 3.13 0.00 0.00 2.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.28 0.00 76 D 8.54 4.52 0.00 2.66 2.69 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 0.00 77 N 8.64 5.25 0.00 2.74 2.76 0.00 0.00 6.43 7.37 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 78 T 7.92 4.80 2.69 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 0.55 0.00 0.00 79 V 8.71 4.74 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 0.65 0.00 0.00 80 T 9.06 5.14 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 1.32 0.00 0.00 81 V 8.56 4.70 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 0.70 0.00 0.00 0.99 0.00 0.00 82 F 8.73 4.79 0.00 3.12 2.87 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 83 A 8.58 4.32 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 84 G 9.09 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 85 Q 7.99 4.33 0.00 1.74 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 7.05 0.00 0.00 0.00 0.00 0.00 2.10 1.42 0.00 86 D 8.06 4.84 0.00 2.75 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 87 K 8.21 4.05 0.00 1.82 1.88 0.00 1.68 0.00 0.00 1.84 0.00 0.00 2.98 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.57 1.55 7.81 88 E 8.17 3.98 0.00 2.03 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 2.41 2.39 0.00 89 A 8.01 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 90 T 8.02 3.83 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 1.35 0.00 0.00 91 A 8.25 3.96 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 92 K 7.96 3.91 0.00 1.85 2.15 0.00 1.85 0.00 0.00 1.71 0.00 0.00 3.08 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.76 1.67 7.81 93 M 8.24 4.17 0.00 2.04 2.01 0.00 0.00 0.00 0.00 0.00 2.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.67 0.00 94 R 8.14 3.40 0.00 2.00 1.95 0.00 3.23 0.00 0.00 3.23 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.77 0.00 95 E 7.58 3.90 0.00 1.92 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 2.26 2.51 0.00 96 Y 7.96 4.24 0.00 3.06 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 97 F 7.88 5.09 0.00 3.13 2.69 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 0.00 98 T 7.64 3.98 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 1.20 0.00 0.00 99 G 9.08 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 A 7.49 3.96 0.62 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 0.00 101 A 8.20 4.39 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 0.00 102 P 0.00 4.61 0.00 2.25 2.13 0.00 3.85 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 1.99 0.00 103 S 8.37 4.64 0.00 4.01 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 0.00 104 S 8.15 4.65 0.00 3.89 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 0.00 105 P 0.00 4.81 0.00 2.05 2.05 0.00 3.73 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.89 0.00 106 S 8.43 4.61 0.00 3.64 3.88 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 0.00 107 M 8.42 5.23 0.00 1.86 1.74 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.41 0.00 108 A 8.84 4.96 0.77 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 0.00 0.00 109 L 9.09 4.87 0.00 1.79 1.61 1.09 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 110 L 9.35 5.23 0.00 1.72 1.75 1.06 0.45 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 0.00 111 K 9.02 4.84 0.00 1.82 1.65 0.00 1.70 0.00 0.00 1.67 0.00 0.00 2.93 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.33 1.40 7.81 112 G 8.78 3.70 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 K 8.85 4.45 0.00 1.87 1.97 0.00 1.87 0.00 0.00 1.71 0.00 0.00 3.04 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.35 1.52 7.81 114 E 8.20 4.54 0.00 2.06 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 2.27 2.27 0.00 115 V 8.47 4.18 2.09 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 0.90 0.00 0.00 0.96 0.00 0.00 116 V 8.70 4.40 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.69 0.00 0.00 0.83 0.00 0.00 117 H 7.84 4.82 0.00 3.23 3.11 0.00 5.80 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 F 8.48 5.05 0.00 2.85 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 119 I 7.82 4.30 1.58 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 1.17 0.43 0.73 0.00 0.00 120 P 0.00 4.55 0.00 2.19 2.42 0.00 3.55 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.95 0.00 121 R 8.90 3.97 0.00 1.97 2.01 0.00 3.36 0.00 0.00 3.34 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.55 0.00 122 H 8.04 4.53 0.00 3.32 3.44 0.00 5.57 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 E 7.86 4.19 0.00 1.80 1.82 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 2.16 2.17 0.00 124 I 7.18 4.19 1.94 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 1.18 1.12 0.86 0.00 0.00 125 E 8.33 4.09 0.00 1.88 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 2.33 2.27 0.00 126 G 8.85 3.89 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 0.00 0.00 0.00 127 H 7.74 4.77 0.00 3.26 3.40 0.00 5.62 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 D 8.03 5.00 0.00 2.91 2.75 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 0.00 129 M 8.43 3.80 0.00 2.02 2.18 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.69 2.57 0.00 130 E 8.28 3.88 0.00 2.11 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 2.38 2.00 0.00 131 E 8.43 3.95 0.00 2.23 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 2.33 2.56 0.00 132 I 7.64 3.70 1.81 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.83 0.82 0.00 0.00 133 M 8.55 3.97 0.00 1.96 2.21 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 2.51 0.00 134 K 8.05 4.08 0.00 1.99 1.95 0.00 1.80 0.00 0.00 1.67 0.00 0.00 2.83 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.44 1.18 7.81 135 N 7.98 4.15 0.00 2.86 2.94 0.00 0.00 7.15 6.42 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 0.00 136 L 7.76 3.55 0.00 1.56 0.88 0.90 0.42 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 0.00 137 T 8.06 3.61 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 1.23 0.00 0.00 138 A 7.94 3.97 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 0.00 139 A 7.50 3.87 1.16 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 0.00 0.00 140 F 8.29 4.50 0.00 3.15 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 0.00 141 D 8.38 4.46 0.00 2.77 2.74 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 0.00 142 A 7.79 4.11 1.22 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 0.00 0.00 143 H 8.11 4.79 0.00 3.32 3.34 0.00 5.65 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 144 C 8.66 4.30 0.00 3.08 2.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00