NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 18 K 4.3157 8.3031 120.1283 56.6261 34.0275 175.4825 19 G 3.7386 7.6758 110.0580 43.8294 0.0000 170.8060 20 I 4.5206 8.8792 115.4240 58.9213 41.5258 173.1058 21 F 4.6063 8.6491 120.9221 56.0539 39.9522 175.4493 22 I 4.1507 8.2033 127.2153 60.2599 37.7857 176.9373 23 H 4.6491 8.3426 125.3001 55.3260 26.4918 175.1150 24 V 4.0836 7.3077 121.2790 61.6151 33.2713 176.1138 25 T 4.2356 8.4390 114.8021 61.2011 70.9064 175.6714 26 L 3.9680 8.3874 121.6623 57.8458 41.5487 179.3953 27 E 3.9128 8.1174 118.6946 59.5609 29.6867 178.6417 28 E 4.0558 8.0489 117.9579 59.1740 29.5538 179.3379 29 L 4.0451 8.3257 121.2654 57.9618 42.0007 179.0642 30 K 4.1860 7.8597 117.2180 59.7595 32.8065 179.1232 31 R 4.3107 8.4188 121.2471 58.6536 29.9968 178.1570 32 Y 4.0880 8.2547 119.5945 61.1607 38.6821 177.5911 33 H 4.3048 7.9674 113.0352 57.0362 28.7318 176.5562 34 Q 4.3070 7.6739 120.0730 55.4969 28.9384 175.7585 35 L 4.1329 6.8180 120.4313 54.1691 42.4974 177.5374 36 T 4.0874 8.2290 111.1415 60.9821 70.8269 173.7266 37 P 4.1435 0.0000 0.0000 66.1826 31.4505 178.7775 38 E 3.9501 8.0520 116.5143 59.5960 29.4838 179.2621 39 Q 4.0209 7.9869 118.0000 58.8379 28.8262 179.0781 40 K 3.9475 8.2357 120.2221 59.3473 32.0733 179.6622 41 R 4.0515 8.5808 116.7584 58.9622 29.4308 178.8616 42 L 3.9971 7.8542 119.5778 57.6367 41.6814 179.4162 43 I 3.6827 7.7805 119.9339 64.4871 37.1175 178.7123 44 R 4.0669 8.0089 115.5966 58.6249 29.3977 178.5363 45 A 4.0556 8.2195 122.2529 55.0696 18.4147 179.6542 46 I 3.7635 7.7646 118.5701 64.6449 37.1916 179.0869 47 V 3.7248 7.8057 113.0379 64.0134 31.3248 178.8999 48 K 3.9761 7.9230 118.3082 59.6065 31.8504 179.2654 49 T 3.9461 7.9326 116.0807 66.9417 68.0039 176.5961 50 L 4.0444 7.9300 120.4152 57.6785 41.3790 179.6143 51 I 3.7085 7.6903 119.1567 64.7992 37.1242 177.9481 52 H 4.5274 8.1283 115.8193 57.2795 30.1222 175.6157 53 N 5.2615 8.1332 116.9686 49.5073 38.7580 173.2805 54 P 4.5739 0.0000 0.0000 63.9852 31.7065 177.9370 55 Q 4.1119 8.0786 116.5407 58.8911 28.5234 178.0707 56 L 4.2127 8.0956 120.7952 56.8028 41.5973 179.0714 57 L 4.0238 7.6320 119.2638 58.0644 41.7139 179.0364 58 D 4.4205 8.1921 118.1701 57.1243 40.7048 178.0895 59 E 4.2873 8.0592 118.9863 58.4952 30.0758 178.2296 60 S 4.0818 8.1587 114.4937 61.2389 63.2257 176.2079 61 S 4.2117 8.2189 116.8936 61.4685 62.0659 175.5354 62 Y 4.0275 7.7091 120.5011 60.8746 38.5395 178.1167 63 L 3.9284 8.2397 119.8303 58.0532 41.8576 179.1778 64 Y 4.2319 8.2647 117.0266 61.1509 37.7027 178.8772 65 R 4.0461 8.0044 118.5552 58.5006 30.1713 178.7183 66 L 3.7194 7.9279 120.7464 58.2317 42.0294 179.1129 67 L 4.0254 8.2160 118.9695 57.4475 41.2671 179.5068 68 A 3.9608 7.8753 120.3948 55.4734 18.4419 179.9337 69 S 3.9676 8.1828 113.7047 61.5487 62.6236 176.9207 70 K 4.4925 8.5458 123.1140 58.7662 31.9319 178.4662 71 A 4.1194 7.6071 120.4935 54.7446 18.2864 179.5351 72 I 3.8665 7.0136 117.4632 63.2705 38.0167 176.2989 73 S 4.6391 7.5711 112.4666 56.3784 65.6206 174.4530 74 Q 3.6755 8.3478 125.7226 58.5447 29.0816 176.1115 75 F 4.7819 7.8756 117.7527 56.1224 38.8660 174.8451 76 V 5.0184 8.1550 122.3761 60.8904 34.8242 173.9492 77 C 4.5371 8.6854 126.9749 57.9986 31.9696 172.8657 78 P 4.7141 0.0000 0.0000 65.2732 31.4829 177.7750 79 L 4.3622 8.1638 117.5260 56.9228 42.0030 177.3386 80 C 4.5430 8.0823 110.0811 57.2939 30.9154 173.3470 81 L 3.7436 8.2777 119.4929 56.1592 39.0873 173.7456 82 M 4.6897 7.8791 117.3189 52.9287 34.3213 174.2226 83 P 4.9614 0.0000 0.0000 62.8340 32.5094 175.4171 84 F 4.9377 9.2889 120.5838 55.5092 42.0520 175.6898 85 S 4.3235 9.0346 115.6329 61.0730 63.4328 174.5565 86 S 3.9738 7.9668 113.4017 55.0674 66.9517 174.5688 87 S 3.8348 7.1152 118.7242 60.8824 62.8281 176.6388 88 V 3.4862 7.4183 122.4364 65.8727 31.2309 178.1530 89 S 4.1372 7.8022 113.5661 61.1219 63.1370 175.9715 90 L 2.7960 7.5098 123.5386 57.4177 41.7193 178.9180 91 K 3.8272 7.8697 119.6797 59.4330 32.2363 178.6820 92 Q 3.9035 7.8153 119.8151 59.1479 28.9026 177.5949 93 H 4.1864 8.1240 119.5493 59.2869 29.6726 177.3984 94 I 3.6036 7.3981 120.5573 64.0849 36.9132 178.1650 95 R 3.7499 7.7968 118.9323 58.8962 30.0219 176.7527 96 Y 4.8782 7.6518 112.1235 57.7619 40.0753 176.2476 97 T 4.4139 8.1623 114.2060 62.7979 70.1005 173.3432 98 E 4.3798 7.7591 122.6963 55.0635 29.9739 174.4804 99 H 5.0118 8.4253 121.3568 54.6620 29.8471 174.1981 100 T 3.9972 8.0236 117.2695 64.1577 68.5941 174.2413 101 K 4.6508 8.7896 124.0087 56.0767 33.8324 175.4899 102 V 4.9969 7.5575 120.0319 60.9515 34.5096 174.4512 103 C 4.4554 8.9414 128.8964 58.5907 31.7983 172.7582 104 P 4.5013 0.0000 0.0000 65.5367 31.4456 178.0791 105 V 3.5039 7.4027 118.3602 65.3285 31.5348 176.3355 106 C 4.4041 7.7721 111.3844 57.4897 30.7012 174.5717 107 K 4.0633 8.5081 118.7590 56.2342 30.0655 175.8951 108 K 3.9657 7.7737 121.5099 56.5789 32.9995 175.4287 109 E 4.9818 8.3695 127.7311 55.1571 31.3753 174.4387 110 F 4.9134 8.5845 121.9698 56.0351 42.8733 174.9994 111 T 4.1923 8.8479 113.8898 63.9935 67.9396 175.0991 112 S 4.7269 7.7062 113.9102 55.9673 66.4723 174.5272 113 T 4.0591 8.4595 123.6177 66.6289 68.2300 176.9501 114 D 4.3129 7.8956 120.8318 57.3823 40.7605 178.8971 115 S 3.9790 7.9338 115.0179 61.3065 62.8797 176.4326 116 A 2.6913 7.3406 123.2915 54.6231 18.1242 179.5364 117 L 3.8618 8.0599 117.9297 58.0338 41.6167 179.3647 118 D 4.2557 8.1043 117.9017 57.4580 41.1758 177.6817 119 H 4.1050 8.1370 118.8307 59.4031 30.0281 177.3959 120 V 3.6755 7.8036 119.9731 65.9437 31.3002 177.2343 121 C 4.5226 7.9297 119.0678 59.1009 43.3817 175.6822 122 K 3.8784 8.0002 118.7866 59.4811 31.8194 179.0992 123 K 4.1569 8.2227 116.9587 57.7669 32.4196 177.3411 124 H 4.6731 7.9308 112.6250 54.9725 30.3480 174.4051 125 N 4.4638 8.2913 115.8603 53.2896 36.4494 174.3534 126 I 4.3120 7.5932 120.3899 60.0475 36.9335 174.0192 127 C 5.1108 8.3621 121.8624 54.8681 43.6352 174.8178 128 V 3.9056 8.2711 120.3159 63.1871 31.1329 175.7957 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 18 K 8.30 4.32 0.00 1.74 1.79 0.00 1.74 0.00 0.00 1.70 0.00 0.00 2.95 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.33 1.44 7.81 19 G 7.68 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 20 I 8.88 4.52 1.83 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.68 0.87 0.00 0.00 21 F 8.65 4.61 0.00 3.09 3.01 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 22 I 8.20 4.15 1.77 0.00 0.00 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 1.35 0.43 0.84 0.00 0.00 23 H 8.34 4.65 0.00 3.14 3.23 0.00 5.69 0.00 0.00 0.00 0.00 7.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 V 7.31 4.08 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 0.79 0.00 0.00 0.93 0.00 0.00 25 T 8.44 4.24 4.24 0.00 0.00 0.00 0.00 0.00 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 26 L 8.39 3.97 0.00 1.71 1.77 0.91 0.74 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 27 E 8.12 3.91 0.00 2.08 1.95 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 2.38 2.48 0.00 28 E 8.05 4.06 0.00 2.22 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 2.33 0.00 29 L 8.33 4.05 0.00 1.89 1.88 1.00 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 30 K 7.86 4.19 0.00 2.02 1.97 0.00 1.68 0.00 0.00 1.72 0.00 0.00 3.11 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.75 1.51 7.81 31 R 8.42 4.31 0.00 1.96 2.05 0.00 3.32 0.00 0.00 3.34 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.66 0.00 32 Y 8.25 4.09 0.00 3.02 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 33 H 7.97 4.30 0.00 3.24 3.34 0.00 5.89 0.00 0.00 0.00 0.00 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 Q 7.67 4.31 0.00 2.19 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.88 6.92 0.00 0.00 0.00 0.00 0.00 2.33 2.50 0.00 35 L 6.82 4.13 0.00 1.45 1.55 0.85 0.78 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 36 T 8.23 4.09 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 1.18 0.00 0.00 37 P 0.00 4.14 0.00 2.15 2.15 0.00 3.56 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 2.10 2.17 0.00 38 E 8.05 3.95 0.00 2.03 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 2.45 0.00 39 Q 7.99 4.02 0.00 2.21 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.82 0.00 0.00 0.00 0.00 0.00 2.36 2.38 0.00 40 K 8.24 3.95 0.00 1.88 1.76 0.00 1.41 0.00 0.00 1.59 0.00 0.00 2.85 0.00 0.00 2.70 0.00 0.00 0.00 0.00 0.43 0.88 7.81 41 R 8.58 4.05 0.00 1.99 2.19 0.00 2.78 0.00 0.00 3.16 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.74 0.00 42 L 7.85 4.00 0.00 2.02 1.78 0.93 0.61 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 43 I 7.78 3.68 2.18 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.30 0.97 0.00 0.00 44 R 8.01 4.07 0.00 2.07 2.22 0.00 2.79 0.00 0.00 3.23 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.66 0.00 45 A 8.22 4.06 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 46 I 7.76 3.76 2.05 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 1.63 1.23 0.95 0.00 0.00 47 V 7.81 3.72 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 0.81 0.00 0.00 0.96 0.00 0.00 48 K 7.92 3.98 0.00 1.96 1.89 0.00 1.69 0.00 0.00 1.67 0.00 0.00 2.92 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.45 1.63 7.81 49 T 7.93 3.95 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 1.25 0.00 0.00 50 L 7.93 4.04 0.00 1.92 1.73 0.97 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 51 I 7.69 3.71 1.92 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.58 0.80 0.00 0.00 52 H 8.13 4.53 0.00 3.26 3.36 0.00 5.79 0.00 0.00 0.00 0.00 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 N 8.13 5.26 0.00 2.82 2.72 0.00 0.00 6.89 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 54 P 0.00 4.57 0.00 2.16 2.10 0.00 3.89 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.16 0.00 55 Q 8.08 4.11 0.00 2.25 2.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.92 0.00 0.00 0.00 0.00 0.00 2.43 2.41 0.00 56 L 8.10 4.21 0.00 1.92 1.79 0.95 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 57 L 7.63 4.02 0.00 1.91 1.75 0.94 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 58 D 8.19 4.42 0.00 2.70 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 59 E 8.06 4.29 0.00 2.04 1.95 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 2.36 2.33 0.00 60 S 8.16 4.08 0.00 4.27 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 61 S 8.22 4.21 0.00 4.06 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 0.00 62 Y 7.71 4.03 0.00 3.11 3.19 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 63 L 8.24 3.93 0.00 1.59 1.55 0.90 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 64 Y 8.26 4.23 0.00 3.15 2.92 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 65 R 8.00 4.05 0.00 2.01 1.90 0.00 3.16 0.00 0.00 3.28 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.73 0.00 66 L 7.93 3.72 0.00 1.26 1.63 0.82 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 67 L 8.22 4.03 0.00 1.73 1.71 0.87 0.69 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 68 A 7.88 3.96 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 69 S 8.18 3.97 0.00 3.97 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 70 K 8.55 4.49 0.00 1.85 1.92 0.00 1.48 0.00 0.00 1.52 0.00 0.00 3.07 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.41 1.30 7.81 71 A 7.61 4.12 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 72 I 7.01 3.87 2.00 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 1.39 0.56 0.89 0.00 0.00 73 S 7.57 4.64 0.00 3.88 3.69 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 74 Q 8.35 3.68 0.00 1.67 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.92 0.00 0.00 0.00 0.00 0.00 1.48 2.05 0.00 75 F 7.88 4.78 0.00 3.43 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 76 V 8.16 5.02 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 0.80 0.00 0.00 0.96 0.00 0.00 77 C 8.69 4.54 0.00 3.34 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 78 P 0.00 4.71 0.00 2.15 2.20 0.00 3.77 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.16 0.00 79 L 8.16 4.36 0.00 1.76 1.82 0.91 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 80 C 8.08 4.54 0.00 3.15 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 81 L 8.28 3.74 0.00 1.75 1.75 0.50 0.52 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 82 M 7.88 4.69 0.00 1.62 1.87 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.44 0.00 83 P 0.00 4.96 0.00 2.04 2.19 0.00 3.55 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.94 0.00 84 F 9.29 4.94 0.00 2.90 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 85 S 9.03 4.32 0.00 4.02 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 86 S 7.97 3.97 0.00 3.72 3.53 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 87 S 7.12 3.83 0.00 3.99 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 88 V 7.42 3.49 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 0.99 0.00 0.00 0.85 0.00 0.00 89 S 7.80 4.14 0.00 4.25 4.14 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 0.00 0.00 0.00 0.00 90 L 7.51 2.80 0.00 1.68 1.70 0.79 0.44 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 91 K 7.87 3.83 0.00 2.01 1.80 0.00 1.62 0.00 0.00 1.50 0.00 0.00 2.84 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.35 1.35 7.81 92 Q 7.82 3.90 0.00 2.31 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.59 0.00 0.00 0.00 0.00 0.00 2.43 2.55 0.00 93 H 8.12 4.19 0.00 3.17 2.80 0.00 5.84 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 94 I 7.40 3.60 1.73 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 1.34 0.65 0.81 0.00 0.00 95 R 7.80 3.75 0.00 1.61 1.80 0.00 2.93 0.00 0.00 2.79 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.01 0.00 96 Y 7.65 4.88 0.00 3.03 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 97 T 8.16 4.41 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 1.35 0.00 0.00 98 E 7.76 4.38 0.00 1.60 1.70 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 2.20 2.33 0.00 99 H 8.43 5.01 0.00 3.15 3.27 0.00 6.01 0.00 0.00 0.00 0.00 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 T 8.02 4.00 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 1.34 0.00 0.00 101 K 8.79 4.65 0.00 1.72 2.04 0.00 1.68 0.00 0.00 1.81 0.00 0.00 2.82 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.72 1.40 7.81 102 V 7.56 5.00 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 0.80 0.00 0.00 0.98 0.00 0.00 103 C 8.94 4.46 0.00 3.33 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 0.00 104 P 0.00 4.50 0.00 2.38 2.28 0.00 3.73 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 1.66 2.38 0.00 105 V 7.40 3.50 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 0.64 0.00 0.00 -0.19 0.00 0.00 106 C 7.77 4.40 0.00 3.17 3.14 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 0.00 0.00 0.00 0.00 107 K 8.51 4.06 0.00 1.91 2.04 0.00 1.74 0.00 0.00 1.65 0.00 0.00 3.18 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.35 1.51 7.81 108 K 7.77 3.97 0.00 1.76 1.54 0.00 1.58 0.00 0.00 1.43 0.00 0.00 2.21 0.00 0.00 2.65 0.00 0.00 0.00 0.00 0.85 1.19 7.81 109 E 8.37 4.98 0.00 1.95 1.70 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 2.23 2.46 0.00 110 F 8.58 4.91 0.00 3.04 2.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 T 8.85 4.19 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 1.28 0.00 0.00 112 S 7.71 4.73 0.00 3.88 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 0.00 113 T 8.46 4.06 4.21 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 1.29 0.00 0.00 114 D 7.90 4.31 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 0.00 115 S 7.93 3.98 0.00 3.99 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 0.00 116 A 7.34 2.69 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 0.00 117 L 8.06 3.86 0.00 1.78 1.68 0.86 0.86 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 0.00 118 D 8.10 4.26 0.00 2.87 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 0.00 119 H 8.14 4.11 0.00 3.29 3.22 0.00 5.84 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 0.00 120 V 7.80 3.68 2.07 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 0.92 0.00 0.00 1.00 0.00 0.00 121 C 7.93 4.52 0.00 3.03 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 0.00 122 K 8.00 3.88 0.00 1.93 1.84 0.00 1.85 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.47 1.47 7.81 123 K 8.22 4.16 0.00 1.40 1.57 0.00 1.63 0.00 0.00 1.66 0.00 0.00 3.06 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.38 1.60 7.81 124 H 7.93 4.67 0.00 3.27 3.22 0.00 5.74 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 N 8.29 4.46 0.00 2.94 3.05 0.00 0.00 6.86 7.45 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 0.00 126 I 7.59 4.31 1.97 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.71 1.04 0.00 0.00 127 C 8.36 5.11 0.00 2.92 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 0.00 128 V 8.27 3.91 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 0.79 0.00 0.00 0.95 0.00 0.00