NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4095 8.3044 120.3276 55.0005 33.4663 174.1138 2 E 3.8973 8.3648 119.9870 55.2917 30.2882 175.2312 3 A 4.1009 9.2538 129.1215 52.8085 19.8286 177.3768 4 L 4.0870 8.4955 121.0178 55.6517 42.1259 177.8268 5 G 3.7773 9.2454 105.0818 45.7850 0.0000 172.7197 6 A 4.5193 7.4662 115.9150 50.9144 22.0445 176.5599 7 D 4.6858 8.8003 122.7744 53.6297 42.4148 175.7449 8 V 4.6213 8.4226 122.6362 61.4181 34.3040 175.1254 9 T 4.4533 7.8140 121.3574 61.6029 69.1078 174.0612 10 Q 3.8823 8.7231 124.9867 56.8929 28.9338 177.5789 11 G 4.0552 9.0321 109.5074 46.0242 0.0000 172.7844 12 L 5.0560 8.1889 120.5260 52.9022 45.6394 175.1519 13 E 5.1460 8.9373 119.2612 53.9460 34.4458 175.3439 14 K 3.9693 8.5573 123.0847 58.2369 32.4440 177.0760 15 G 4.0541 8.8311 115.2922 45.1773 0.0000 174.0622 16 S 4.3133 8.1711 116.3738 58.6865 64.1717 173.1944 17 L 5.1462 8.4013 123.1160 53.2587 43.1599 175.6948 18 I 4.7358 9.0949 116.9792 59.1511 41.9564 174.3199 19 T 4.5265 8.5531 118.7518 63.3197 69.8752 174.3476 20 C 4.8002 8.6952 126.7793 57.1093 31.4984 174.3841 21 A 4.5245 8.5017 135.0000 50.5244 15.9817 174.7284 22 D 5.4973 7.6606 119.2423 53.8938 41.4902 175.5968 23 N 4.9512 8.4337 115.2194 52.9835 37.4744 176.8043 24 T 3.9058 8.0920 111.6420 63.8842 68.9938 175.0289 25 G 3.9425 7.6013 109.2682 45.0252 0.0000 172.6996 26 A 4.7948 7.4304 122.7227 50.8998 20.3194 176.6450 27 R 4.3206 8.9774 123.1584 58.0064 31.7017 175.9678 28 E 5.0678 8.0174 119.4054 54.3151 32.5054 173.9753 29 L 5.1807 9.2404 125.4842 52.7628 45.9123 175.1445 30 K 4.8893 8.6357 124.2068 54.3817 34.3277 175.5685 31 V 3.9304 8.6709 128.3330 63.4450 32.1034 176.1603 32 I 4.3301 8.4318 126.8486 62.7564 39.8956 175.6443 33 S 4.6590 7.7575 114.9767 57.5068 68.0969 173.5445 34 V 4.6197 8.1909 120.7707 61.0266 33.7315 174.3767 35 H 4.1704 9.1433 128.8145 57.9204 29.9975 175.3488 36 G 3.8799 8.6316 113.4804 45.9267 0.0000 172.1422 37 Y 4.6308 7.7889 120.7957 55.5858 40.1988 175.0062 38 S 4.4806 7.4265 120.2852 56.4514 66.8409 172.7234 39 G 4.1433 7.8105 116.1588 44.8827 0.0000 175.1713 40 T 4.4387 8.3864 117.5491 59.8804 69.8639 171.9510 41 K 3.8807 8.4954 125.9830 58.3033 32.3461 176.9790 42 N 4.5064 8.9841 121.5399 53.7786 37.4733 174.5332 43 R 4.0140 7.8561 119.0695 55.7381 30.4094 175.7933 44 L 4.1795 8.5016 126.3883 53.4789 42.1751 174.8270 45 P 4.4680 0.0000 0.0000 63.6148 31.7300 175.4835 46 K 4.9913 8.0047 123.0496 55.3839 35.0511 175.4178 47 A 4.6686 8.7780 122.3688 51.1143 23.2412 176.2276 48 G 4.2474 9.4207 108.0864 44.3614 0.0000 171.2977 49 L 3.9594 8.4787 121.8755 57.0283 42.1056 178.4438 50 G 4.1239 8.9807 114.5913 45.2044 0.0000 172.9239 51 D 4.8081 7.9102 119.8686 53.4324 43.0592 175.5919 52 K 4.6340 8.6812 123.0328 55.1402 33.7316 175.1064 53 I 4.9013 8.2252 121.3534 59.6016 40.9002 174.7167 54 T 4.8617 8.6482 120.0984 62.7254 70.6116 174.1759 55 V 5.0523 9.1243 123.8240 61.5975 35.9962 173.4495 56 S 5.7733 8.6118 117.8285 55.4073 66.5373 173.2431 57 V 4.1342 8.2383 122.2727 62.9057 31.7968 176.3527 58 T 4.1757 8.5168 125.6327 65.5312 69.3076 175.6941 59 K 4.5513 8.7433 118.8396 54.6268 36.5771 177.6256 60 G 3.4673 8.5742 109.0607 44.7531 0.0000 172.7322 61 T 4.0019 8.2630 111.6838 60.9062 68.4317 173.3007 62 P 4.2371 0.0000 0.0000 66.3452 31.0912 178.7103 63 E 4.2618 8.1168 115.4757 59.3114 29.8013 178.5073 64 M 4.2116 8.3978 118.8534 56.3940 32.5770 177.0453 65 R 4.2029 6.6523 117.2425 57.9643 30.6842 177.4667 66 R 4.1262 8.6276 119.2002 56.5283 29.6594 177.0116 67 Q 4.1285 7.7071 117.0203 55.9421 30.1156 175.8040 68 V 4.4533 8.3602 122.6268 61.5454 32.0372 174.4912 69 L 4.7282 8.6016 127.7040 52.8197 45.2748 174.6559 70 E 5.0465 8.3935 119.5573 55.2590 32.5943 174.0555 71 A 4.8471 8.4403 124.5465 51.1809 23.7138 174.9932 72 V 4.4737 8.1206 118.0297 60.9908 35.1716 174.7366 73 V 4.1184 8.2894 127.5868 62.7127 32.0020 176.2589 74 V 3.9225 8.8306 128.9809 64.3254 33.3127 175.8805 75 R 4.0691 7.4183 117.4363 54.1517 34.8866 174.3364 76 Q 4.8456 7.9951 118.7517 54.7750 31.6670 176.0203 77 R 4.3064 9.4872 121.3479 58.6934 30.4266 177.7233 78 K 4.2124 7.8470 118.2737 55.5283 32.1071 175.2483 79 P 4.9515 0.0000 0.0000 63.0608 32.8386 174.9085 80 I 4.9257 8.5524 113.4841 59.4281 41.6433 173.7567 81 R 4.9855 9.0885 124.2843 54.8892 32.1463 175.3863 82 R 4.7020 8.6790 125.1816 54.2244 31.8527 175.7759 83 P 4.1940 0.0000 0.0000 65.8897 31.4410 176.8656 84 D 4.6595 8.0913 115.1720 53.0792 39.5074 175.9245 85 G 4.2023 8.5853 111.0679 46.1290 0.0000 175.0082 86 T 4.0086 7.4884 115.5234 64.1920 69.5148 173.8932 87 R 5.1317 8.4513 123.0877 54.8409 32.6809 175.8559 88 V 4.5399 8.7811 121.5870 61.0445 34.7625 174.4488 89 K 5.0235 8.3855 125.1982 55.5359 35.7969 175.1236 90 F 4.7161 8.8134 119.7268 55.6365 41.8038 176.4043 91 E 4.0222 9.0269 120.1126 58.8565 29.6395 175.0479 92 D 4.7853 7.7725 115.8209 52.5437 43.0929 173.7833 93 N 5.1258 8.7056 115.0429 51.6370 40.7517 174.3051 94 A 5.2888 9.1901 124.4539 50.4460 23.3229 174.4492 95 A 5.0112 9.1527 120.4834 50.4048 23.7688 175.2840 96 V 4.4927 8.3002 118.8396 60.6862 34.2861 175.2556 97 I 4.1761 8.2496 129.1927 62.0775 38.1177 175.2982 98 V 4.8740 8.8181 124.7714 61.6581 35.3932 174.3823 99 D 5.0496 7.9203 123.1358 51.7156 41.7653 176.5377 100 E 3.9693 8.7965 117.0524 59.7579 29.4566 177.5457 101 N 4.6587 9.2775 114.5876 52.7397 38.8539 174.8737 102 E 3.8043 8.0368 116.7955 57.4158 27.0780 173.5736 103 D 5.1088 8.3051 118.0079 50.9094 42.3878 174.3630 104 P 4.5267 0.0000 0.0000 63.2313 31.3656 176.3051 105 R 3.8854 8.5568 123.8732 58.8268 30.1972 176.7381 106 G 4.0001 7.6955 105.5417 44.9453 0.0000 172.4913 107 T 4.4019 8.5170 113.7215 63.9745 70.0813 175.1357 108 E 4.7149 9.1719 120.4186 54.3914 33.9273 175.1052 109 L 5.0482 8.3968 123.6544 52.5338 42.3236 176.6082 110 K 4.0519 8.5469 124.1850 57.0818 32.9166 178.2945 111 G 3.9238 8.8114 113.5733 43.7964 0.0000 170.8169 112 P 4.7493 0.0000 0.0000 62.7467 32.7572 175.3235 113 I 4.7327 8.0689 118.0948 59.6687 42.2594 174.7140 114 A 4.8561 8.1985 126.3115 51.5869 19.2441 179.1689 115 R 3.9391 9.2297 119.6952 59.5970 29.0517 179.3152 116 E 4.0188 8.2863 118.6418 59.2222 29.4469 179.2481 117 V 3.5320 7.9089 117.6812 65.4520 31.5581 177.8864 118 A 3.9718 7.9621 120.9338 55.3620 18.1644 179.4478 119 Q 4.0266 7.3280 114.2978 57.9733 28.9279 177.7681 120 R 4.0148 7.4481 116.3909 57.0339 32.0616 176.6765 121 F 4.7165 8.0939 121.5771 54.9672 39.0878 176.3799 122 G 3.7212 8.5184 112.0591 47.9309 0.0000 172.8602 123 S 4.6233 8.0684 118.1251 59.8301 62.3393 176.6376 124 V 3.5915 7.8302 121.6633 65.6911 31.3647 177.5869 125 A 4.1016 8.0642 120.7316 55.0662 18.1999 180.8296 126 S 4.6148 8.6351 111.9456 58.5724 63.2455 175.1806 127 A 4.6113 7.5742 121.4761 52.1380 20.8327 177.2366 128 A 4.2011 8.5428 120.5539 52.1883 19.1089 178.0136 129 T 4.1077 8.6772 120.2433 66.3502 68.8422 174.8596 130 M 4.9499 7.7630 119.3223 53.6060 36.3235 175.2255 131 I 4.7579 8.2086 121.5002 60.1946 40.6820 175.3123 132 V 3.9993 8.8373 127.1923 62.8471 31.5251 175.5887 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 M 8.30 4.41 0.00 1.95 2.11 0.00 0.00 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.54 0.00 2 E 8.36 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 2.25 2.33 0.00 3 A 9.25 4.10 1.24 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 0.00 0.00 0.00 4 L 8.50 4.09 0.00 1.66 1.75 0.99 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 5 G 9.25 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 6 A 7.47 4.52 1.24 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 0.00 0.00 0.00 7 D 8.80 4.69 0.00 2.62 2.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 V 8.42 4.62 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 0.85 0.00 0.00 1.01 0.00 0.00 9 T 7.81 4.45 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 1.22 0.00 0.00 10 Q 8.72 3.88 0.00 1.86 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.86 0.00 0.00 0.00 0.00 0.00 2.30 2.47 0.00 11 G 9.03 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 12 L 8.19 5.06 0.00 1.66 1.49 0.87 0.83 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 13 E 8.94 5.15 0.00 1.82 1.76 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 2.18 2.20 0.00 14 K 8.56 3.97 0.00 1.70 1.73 0.00 1.78 0.00 0.00 1.72 0.00 0.00 2.86 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.46 1.56 7.81 15 G 8.83 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 16 S 8.17 4.31 0.00 3.77 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 17 L 8.40 5.15 0.00 1.50 1.58 0.95 0.75 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 18 I 9.09 4.74 2.02 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 1.35 0.92 0.88 0.00 0.00 19 T 8.55 4.53 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 1.20 0.00 0.00 20 C 8.70 4.80 0.00 2.94 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 21 A 8.50 4.52 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 22 D 7.66 5.50 0.00 2.78 2.62 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 23 N 8.43 4.95 0.00 2.86 3.03 0.00 0.00 5.72 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 24 T 8.09 3.91 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 1.25 0.00 0.00 25 G 7.60 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 26 A 7.43 4.79 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 27 R 8.98 4.32 0.00 1.74 1.95 0.00 3.08 0.00 0.00 3.09 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.55 0.00 28 E 8.02 5.07 0.00 2.01 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.42 0.00 29 L 9.24 5.18 0.00 1.51 1.46 0.88 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 30 K 8.64 4.89 0.00 1.80 1.64 0.00 1.63 0.00 0.00 1.57 0.00 0.00 2.80 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.32 1.34 7.81 31 V 8.67 3.93 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 0.94 0.00 0.00 0.89 0.00 0.00 32 I 8.43 4.33 1.87 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 1.22 0.96 0.91 0.00 0.00 33 S 7.76 4.66 0.00 3.75 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 34 V 8.19 4.62 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 0.96 0.00 0.00 0.84 0.00 0.00 35 H 9.14 4.17 0.00 3.22 3.34 0.00 6.10 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 G 8.63 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 0.00 0.00 0.00 37 Y 7.79 4.63 0.00 2.96 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 38 S 7.43 4.48 0.00 3.79 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 G 7.81 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 0.00 0.00 0.00 40 T 8.39 4.44 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 41 K 8.50 3.88 0.00 1.75 1.75 0.00 1.92 0.00 0.00 1.71 0.00 0.00 2.79 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.44 1.51 7.81 42 N 8.98 4.51 0.00 2.94 3.00 0.00 0.00 7.02 7.66 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 43 R 7.86 4.01 0.00 1.81 2.09 0.00 3.37 0.00 0.00 3.37 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.66 0.00 44 L 8.50 4.18 0.00 1.85 1.61 1.01 1.15 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 45 P 0.00 4.47 0.00 2.14 2.42 0.00 3.71 0.00 0.00 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.05 0.00 46 K 8.00 4.99 0.00 1.63 1.72 0.00 1.51 0.00 0.00 1.70 0.00 0.00 3.08 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.01 1.06 7.81 47 A 8.78 4.67 1.11 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 48 G 9.42 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 0.00 0.00 0.00 0.00 49 L 8.48 3.96 0.00 1.59 1.63 0.99 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 50 G 8.98 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 51 D 7.91 4.81 0.00 2.76 2.60 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 0.00 0.00 0.00 0.00 52 K 8.68 4.63 0.00 1.91 1.73 0.00 1.62 0.00 0.00 1.88 0.00 0.00 2.71 0.00 0.00 2.64 0.00 0.00 0.00 0.00 1.38 1.46 7.81 53 I 8.23 4.90 1.97 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 1.16 0.66 0.87 0.00 0.00 54 T 8.65 4.86 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 1.26 0.00 0.00 55 V 9.12 5.05 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 1.02 0.00 0.00 0.89 0.00 0.00 56 S 8.61 5.77 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 57 V 8.24 4.13 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 0.96 0.00 0.00 0.91 0.00 0.00 58 T 8.52 4.18 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 1.31 0.00 0.00 59 K 8.74 4.55 0.00 1.72 1.63 0.00 1.67 0.00 0.00 1.81 0.00 0.00 2.81 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.40 1.52 7.81 60 G 8.57 3.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 T 8.26 4.00 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 62 P 0.00 4.24 0.00 2.17 2.17 0.00 3.59 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 2.12 2.21 0.00 63 E 8.12 4.26 0.00 1.93 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 2.31 2.34 0.00 64 M 8.40 4.21 0.00 1.97 2.18 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 2.68 2.70 0.00 65 R 6.65 4.20 0.00 2.10 1.88 0.00 3.22 0.00 0.00 3.22 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.62 0.00 66 R 8.63 4.13 0.00 2.00 2.13 0.00 3.16 0.00 0.00 3.22 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.58 0.00 67 Q 7.71 4.13 0.00 2.18 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.77 0.00 0.00 0.00 0.00 0.00 2.37 2.37 0.00 68 V 8.36 4.45 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 0.80 0.00 0.00 0.93 0.00 0.00 69 L 8.60 4.73 0.00 1.61 1.54 0.90 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 70 E 8.39 5.05 0.00 2.00 1.73 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 2.25 2.28 0.00 71 A 8.44 4.85 1.14 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 0.00 0.00 72 V 8.12 4.47 1.68 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 0.31 0.00 0.00 -0.11 0.00 0.00 73 V 8.29 4.12 2.18 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 0.83 0.00 0.00 0.90 0.00 0.00 74 V 8.83 3.92 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 0.79 0.00 0.00 0.85 0.00 0.00 75 R 7.42 4.07 0.00 1.45 1.28 0.00 3.20 0.00 0.00 3.54 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.22 0.00 76 Q 8.00 4.85 0.00 2.06 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.91 0.00 0.00 0.00 0.00 0.00 2.31 2.64 0.00 77 R 9.49 4.31 0.00 1.81 2.07 0.00 3.14 0.00 0.00 3.02 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.67 0.00 78 K 7.85 4.21 0.00 1.76 1.73 0.00 1.69 0.00 0.00 1.71 0.00 0.00 3.00 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.43 1.55 7.81 79 P 0.00 4.95 0.00 2.13 1.98 0.00 3.61 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 2.12 2.10 0.00 80 I 8.55 4.93 2.04 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.22 0.99 0.00 0.00 81 R 9.09 4.99 0.00 1.86 1.82 0.00 3.08 0.00 0.00 3.17 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.74 0.00 82 R 8.68 4.70 0.00 1.82 1.82 0.00 3.23 0.00 0.00 3.18 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.62 0.00 83 P 0.00 4.19 0.00 2.03 2.16 0.00 3.67 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 2.05 2.12 0.00 84 D 8.09 4.66 0.00 2.78 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 85 G 8.59 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 86 T 7.49 4.01 4.34 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 1.19 0.00 0.00 87 R 8.45 5.13 0.00 1.67 1.84 0.00 3.32 0.00 0.00 3.16 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.55 0.00 88 V 8.78 4.54 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 0.79 0.00 0.00 0.91 0.00 0.00 89 K 8.39 5.02 0.00 2.02 1.71 0.00 1.59 0.00 0.00 1.70 0.00 0.00 2.76 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.24 1.42 7.81 90 F 8.81 4.72 0.00 3.29 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 91 E 9.03 4.02 0.00 1.97 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 2.31 2.26 0.00 92 D 7.77 4.79 0.00 2.67 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 93 N 8.71 5.13 0.00 2.62 2.72 0.00 0.00 6.45 7.12 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 94 A 9.19 5.29 1.09 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 95 A 9.15 5.01 1.14 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 0.00 0.00 96 V 8.30 4.49 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 0.97 0.00 0.00 0.91 0.00 0.00 97 I 8.25 4.18 1.83 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 1.07 0.35 0.91 0.00 0.00 98 V 8.82 4.87 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 0.70 0.00 0.00 0.85 0.00 0.00 99 D 7.92 5.05 0.00 2.93 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 0.00 100 E 8.80 3.97 0.00 1.98 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 0.00 2.32 2.34 0.00 101 N 9.28 4.66 0.00 2.95 2.86 0.00 0.00 7.11 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 0.00 102 E 8.04 3.80 0.00 2.28 2.29 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 2.29 2.34 0.00 103 D 8.31 5.11 0.00 2.90 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 0.00 104 P 0.00 4.53 0.00 2.15 2.07 0.00 3.78 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 1.99 2.08 0.00 105 R 8.56 3.89 0.00 1.79 1.98 0.00 3.23 0.00 0.00 3.21 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.57 0.00 106 G 7.70 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 0.00 107 T 8.52 4.40 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 1.21 0.00 0.00 108 E 9.17 4.71 0.00 1.81 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 2.21 2.26 0.00 109 L 8.40 5.05 0.00 1.52 1.62 0.98 1.04 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 0.00 110 K 8.55 4.05 0.00 1.63 1.74 0.00 1.84 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.44 1.44 7.81 111 G 8.81 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 0.00 0.00 0.00 112 P 0.00 4.75 0.00 2.27 2.18 0.00 3.81 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.12 0.00 113 I 8.07 4.73 1.90 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 1.13 0.55 0.92 0.00 0.00 114 A 8.20 4.86 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 0.00 115 R 9.23 3.94 0.00 2.06 2.37 0.00 2.81 0.00 0.00 3.19 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.71 0.00 116 E 8.29 4.02 0.00 2.12 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 2.43 2.58 0.00 117 V 7.91 3.53 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 1.15 0.00 0.00 1.04 0.00 0.00 118 A 7.96 3.97 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 0.00 119 Q 7.33 4.03 0.00 2.19 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.67 0.00 0.00 0.00 0.00 0.00 2.38 2.42 0.00 120 R 7.45 4.01 0.00 1.48 0.66 0.00 3.02 0.00 0.00 2.96 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 1.35 0.00 121 F 8.09 4.72 0.00 3.09 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 0.00 122 G 8.52 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 0.00 123 S 8.07 4.62 0.00 4.08 4.17 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 0.00 0.00 0.00 0.00 124 V 7.83 3.59 2.38 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 1.02 0.00 0.00 0.92 0.00 0.00 125 A 8.06 4.10 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 0.00 126 S 8.64 4.61 0.00 4.02 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 0.00 127 A 7.57 4.61 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 0.00 128 A 8.54 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 0.00 129 T 8.68 4.11 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 1.22 0.00 0.00 130 M 7.76 4.95 0.00 1.95 1.94 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.54 0.00 131 I 8.21 4.76 1.90 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.55 0.95 0.00 0.00 132 V 8.84 4.00 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 0.94 0.00 0.00 0.98 0.00 0.00