NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 E 4.2898 8.4449 121.4684 56.3492 30.5808 175.4890 6 N 4.6537 8.7000 123.9715 52.5019 39.4803 173.2164 7 C 4.4843 7.9895 119.4243 57.8314 34.0663 172.7960 8 I 3.7256 8.1605 128.7189 64.1721 37.6465 177.6393 9 F 4.6067 8.0138 118.4415 60.6916 38.8579 177.3184 10 C 4.3352 8.2108 116.0343 62.5321 27.8740 176.0998 11 K 4.0153 7.9817 120.2719 59.5608 31.5088 179.4886 12 I 3.8970 7.6109 121.1193 63.7623 36.6866 178.6097 13 I 3.7559 7.6657 119.9021 64.1400 37.0518 177.8239 14 A 4.2620 8.0614 119.9260 52.8126 17.8592 178.4715 15 G 3.8918 7.7232 105.9884 45.5312 0.0000 175.3313 16 D 4.5381 8.2328 121.0483 56.1080 41.3422 176.7825 17 I 4.6389 7.1427 108.7643 57.7966 40.4926 173.2784 18 P 4.5136 0.0000 0.0000 63.1923 31.8900 175.1472 19 S 4.3417 7.8978 111.2165 57.8144 65.1380 175.4116 20 A 4.4640 8.0824 125.1583 50.4893 17.5256 176.0350 21 K 4.8063 8.2424 120.1273 56.9345 32.9724 177.6571 22 V 4.4967 8.5953 115.3181 61.9647 34.4261 175.4201 23 Y 4.7820 7.7535 119.7290 56.3993 42.3901 173.3378 24 E 5.1312 7.2868 123.9547 55.7670 32.6345 174.0202 25 D 4.6425 8.5806 126.8372 52.3103 41.7693 174.4966 26 E 4.0241 8.9916 117.6853 59.2364 30.0026 178.0842 27 H 5.0081 8.4305 112.8844 55.1314 31.0815 173.0594 28 V 5.1678 9.7252 120.6993 60.9187 35.0797 173.9104 29 L 5.5051 9.3040 128.0113 53.3294 45.6273 174.8672 30 A 5.1071 9.3381 127.1443 50.2343 22.5197 174.7878 31 F 5.3039 7.7603 115.1261 55.1953 41.9145 173.7405 32 L 4.5093 8.5825 120.3765 54.8517 42.4066 176.6906 33 D 4.6016 8.7986 123.1576 53.2938 41.2839 177.2299 34 I 3.7604 8.5994 128.3288 64.4961 37.3288 177.7456 35 S 4.1410 8.4524 115.7353 59.9259 63.2297 174.4754 36 Q 3.2960 8.1180 117.4128 56.5628 26.4379 173.9210 37 V 3.8132 7.7911 119.8702 65.6471 32.5987 175.5657 38 T 4.9218 7.4663 107.4042 59.1571 71.6643 172.7321 39 K 4.1308 8.6209 124.4069 58.5682 32.1979 176.9739 40 G 3.7745 9.2981 115.3586 44.6043 0.0000 172.1728 41 H 4.2522 8.2700 120.5491 57.4643 30.7603 174.0022 42 T 4.9803 9.1152 122.1428 61.6590 72.6860 172.9176 43 L 4.8523 8.3457 124.2095 52.8319 44.5331 175.5606 44 V 4.5239 8.6902 124.1568 61.0141 33.7758 174.3556 45 I 5.4072 8.7250 120.9888 58.5206 41.3572 172.9077 46 P 5.2067 0.0000 0.0000 62.4653 32.0671 176.3400 47 K 4.3517 9.2284 121.4814 59.7115 32.6046 178.4885 48 T 4.0292 7.9235 115.7587 63.4666 68.9643 174.2791 49 H 4.2919 8.6850 125.6576 55.2078 28.8790 173.6343 50 I 4.4960 7.3726 119.4449 58.4163 39.6841 177.1308 51 E 4.2049 9.2399 123.6939 58.7756 29.7319 176.0552 52 N 4.9655 7.5310 114.1673 51.7641 39.8109 175.1160 53 V 3.7488 8.8859 117.3983 64.9739 31.3973 178.1558 54 Y 4.3008 7.2436 117.8046 60.6653 37.7603 176.3604 55 E 4.4260 8.1020 117.5866 56.2256 29.5782 176.5667 56 F 4.0526 7.6793 118.8036 57.3218 39.7228 175.4717 57 T 4.7681 8.1635 113.6937 59.6727 72.7740 174.9151 58 D 4.3941 8.6176 121.7886 57.5992 40.9033 178.8645 59 E 3.9307 8.1196 119.1522 59.3048 29.9083 178.4716 60 L 4.1927 8.0912 120.1605 58.1402 41.6112 178.6447 61 A 4.0280 8.6769 121.2669 55.1443 18.0480 179.5463 62 K 4.0311 7.9514 117.1745 59.6966 32.4007 178.6795 63 Q 4.2875 7.9357 116.1102 58.2497 29.0231 176.3448 64 Y 4.4384 8.0200 120.5683 59.0492 39.2871 176.5874 65 F 3.8479 8.5142 120.5485 61.8610 38.1262 177.3879 66 H 3.9950 8.3528 113.6930 58.5471 28.0878 177.2036 67 A 3.6230 7.2454 123.2395 54.1343 17.9202 179.7559 68 V 3.1036 6.8024 117.1033 65.6886 31.4910 176.3814 69 P 4.0792 0.0000 0.0000 65.3870 31.1108 178.7875 70 K 3.8738 7.1982 116.8821 59.5273 31.9690 179.5407 71 I 3.6326 7.4831 119.7929 64.0448 36.8693 178.3471 72 A 3.9100 8.1555 122.0028 55.3622 18.2357 179.7840 73 R 3.8166 8.1652 116.5521 59.4457 29.9565 179.1944 74 A 3.9915 8.0286 120.4450 55.2604 18.4436 179.8231 75 I 3.8819 8.0037 118.4513 64.3406 37.0730 178.6856 76 R 3.9388 8.3727 120.0368 59.6638 29.7527 178.4197 77 D 4.3230 8.0860 117.5401 56.9653 40.7842 178.2572 78 E 3.8476 7.7684 119.2849 58.8368 29.8910 178.0190 79 F 4.7265 7.9580 113.8450 55.9902 41.2337 175.4567 80 E 3.8974 8.3620 117.7480 56.8133 26.9767 172.2652 81 P 4.6661 0.0000 0.0000 62.4152 32.8289 177.0646 82 I 4.1276 8.0250 111.7669 61.2850 38.2931 175.1835 83 G 4.0021 7.5099 109.1278 46.4768 0.0000 171.9440 84 L 4.9725 8.2097 119.8745 53.9967 45.0124 173.7514 85 N 5.2905 9.1431 122.7742 51.5189 42.7478 173.2993 86 T 5.0310 8.3320 110.4568 59.9961 71.5645 172.9503 87 L 4.7442 9.0338 127.2295 53.1763 45.7377 174.1506 88 N 5.2428 8.9070 124.1280 51.7729 41.3949 172.9896 89 N 4.9156 8.6557 122.9015 51.4143 40.9116 173.5369 90 N 4.9301 9.0438 120.6782 53.8508 40.6513 174.8878 91 G 3.9556 9.5906 111.5550 45.4649 0.0000 173.0282 92 E 4.5456 9.2501 123.5800 58.6222 29.4920 179.1575 93 K 4.1839 8.1898 114.1869 58.0180 32.1650 177.1834 94 A 4.5413 8.5385 121.5110 51.8414 19.2098 177.3685 95 G 3.9907 8.3263 105.0700 45.6025 0.0000 173.5145 96 Q 4.4032 8.0957 121.6115 55.2904 29.5852 176.0956 97 S 4.4315 8.7466 120.7454 58.3402 64.5801 174.1651 98 V 3.9556 7.4938 119.3627 60.8345 33.6292 176.2012 99 F 4.9781 8.2107 130.1292 56.7365 37.7943 175.2777 100 H 5.0904 7.7150 118.8281 54.2984 32.9547 171.7151 101 Y 4.2541 8.8876 128.9508 59.0241 39.0439 175.3345 102 H 4.8823 7.3511 118.9952 54.7364 31.5817 172.1916 103 M 4.5677 8.9708 121.8562 54.2349 34.3956 174.2094 104 H 4.9628 9.3145 124.0593 55.1663 30.7445 174.2658 105 I 4.6195 9.1330 124.5370 59.7546 39.4969 174.9365 106 I 4.5916 8.7651 129.8745 58.4064 39.1719 173.7231 107 P 4.5680 0.0000 0.0000 62.6469 32.4375 175.8370 108 R 4.5366 8.9369 121.3972 54.8230 32.2657 176.2363 109 Y 4.6607 9.1380 120.0352 56.9092 40.6942 175.9927 110 G 3.9955 8.6275 105.3500 43.1626 0.0000 173.7531 111 K 3.8504 8.6946 124.4793 58.2492 32.3275 176.7111 112 G 4.1278 9.2117 113.8384 45.6227 0.0000 173.7269 113 D 4.4686 7.9763 119.6790 55.0012 41.1343 177.0843 114 G 3.8493 8.5371 111.1623 46.2597 0.0000 173.3250 115 F 4.9320 7.8981 121.8197 56.2554 41.8567 174.2330 116 G 3.5942 7.2033 113.7555 44.0588 0.0000 171.7546 117 A 4.5208 7.7747 123.9797 49.7483 20.8696 176.7768 118 V 3.8241 8.3226 123.3870 62.1267 32.2697 175.3825 119 W 4.8145 8.6610 135.0000 55.6834 31.8748 173.9690 120 K 4.4196 8.2440 125.7273 54.4894 33.0646 176.7726 121 T 4.1585 8.0955 114.2022 61.6703 70.0224 174.2154 122 H 4.9183 8.2762 116.6292 55.3638 30.7420 175.7576 123 A 4.0460 8.7010 124.5344 55.7731 18.0324 180.6750 124 D 4.5762 8.0916 112.7188 56.8413 40.9863 177.3126 125 D 4.4777 8.3952 118.4316 55.5741 41.1740 175.7493 126 Y 4.5862 7.9387 117.2508 56.0281 40.1631 176.3138 127 K 4.5362 8.6077 124.2383 54.2280 35.5517 176.0749 128 P 4.3133 0.0000 0.0000 66.4068 31.0116 178.4172 129 E 4.0798 8.1435 117.6782 58.8091 29.3575 178.8734 130 D 4.3548 8.0287 118.7456 57.4588 41.0029 178.3510 131 L 4.0025 7.8918 119.2662 57.9376 41.5542 179.5009 132 Q 3.9517 8.0134 118.9209 59.3969 28.9757 178.1478 133 N 4.3750 8.2894 117.4860 56.1166 38.6263 177.6804 134 I 3.7428 8.1600 121.9158 64.4080 37.3184 178.5981 135 S 4.1338 8.3453 115.4922 61.4539 62.7597 176.3937 136 S 4.0757 8.2994 116.8705 61.2678 61.9377 176.2523 137 S 4.1482 8.0534 116.7437 61.6256 62.8338 176.6292 138 I 3.8357 7.7342 121.8669 64.3951 36.9527 178.1454 139 A 4.0151 8.0437 121.5602 55.3856 17.9062 179.8135 140 K 3.9574 7.8842 115.8559 59.5833 32.1908 179.2922 141 R 4.1232 7.7542 116.6311 57.0568 30.2767 177.0619 142 L 4.2312 6.9335 118.4113 53.7688 42.4245 176.7008 143 A 4.1693 8.2050 123.2499 52.4676 18.8516 178.0560 144 S 4.4589 8.1261 114.4007 56.3911 63.0645 174.2115 145 S 4.3546 8.3923 119.4887 58.0319 63.0878 174.7244 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 5 E 8.44 4.29 0.00 1.91 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 0.00 2.18 2.46 0.00 6 N 8.70 4.65 0.00 2.80 2.76 0.00 0.00 6.95 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 7 C 7.99 4.48 0.00 3.00 2.83 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 0.00 0.00 0.00 8 I 8.16 3.73 1.81 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 1.71 1.19 0.73 0.00 0.00 9 F 8.01 4.61 0.00 2.91 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 10 C 8.21 4.34 0.00 3.21 3.03 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 0.00 0.00 0.00 11 K 7.98 4.02 0.00 2.01 1.84 0.00 1.67 0.00 0.00 1.74 0.00 0.00 3.07 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.70 1.62 7.81 12 I 7.61 3.90 1.76 0.00 0.00 0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.45 0.36 0.00 0.00 13 I 7.67 3.76 2.09 0.00 0.00 1.00 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 0.79 0.98 0.00 0.00 14 A 8.06 4.26 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 15 G 7.72 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 16 D 8.23 4.54 0.00 2.75 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 17 I 7.14 4.64 1.83 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 1.30 0.86 0.89 0.00 0.00 18 P 0.00 4.51 0.00 2.17 2.07 0.00 3.76 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.93 0.00 19 S 7.90 4.34 0.00 3.60 3.46 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 20 A 8.08 4.46 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 21 K 8.24 4.81 0.00 1.79 1.81 0.00 1.70 0.00 0.00 1.85 0.00 0.00 3.01 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.51 1.48 7.81 22 V 8.60 4.50 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 0.75 0.00 0.00 0.99 0.00 0.00 23 Y 7.75 4.78 0.00 3.03 2.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 E 7.29 5.13 0.00 1.96 1.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.29 0.00 25 D 8.58 4.64 0.00 2.79 2.54 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 26 E 8.99 4.02 0.00 1.88 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 1.97 2.24 0.00 27 H 8.43 5.01 0.00 3.34 3.38 0.00 5.61 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 V 9.73 5.17 2.42 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 1.01 0.00 0.00 1.12 0.00 0.00 29 L 9.30 5.51 0.00 1.87 1.60 1.09 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 30 A 9.34 5.11 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 31 F 7.76 5.30 0.00 3.22 3.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 L 8.58 4.51 0.00 1.65 1.68 0.98 0.87 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 33 D 8.80 4.60 0.00 2.36 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 0.00 0.00 0.00 34 I 8.60 3.76 1.92 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 1.45 0.71 0.94 0.00 0.00 35 S 8.45 4.14 0.00 4.17 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 36 Q 8.12 3.30 0.00 2.12 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.95 0.00 0.00 0.00 0.00 0.00 2.50 2.44 0.00 37 V 7.79 3.81 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 1.11 0.00 0.00 1.00 0.00 0.00 38 T 7.47 4.92 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 1.27 0.00 0.00 39 K 8.62 4.13 0.00 1.55 1.41 0.00 1.60 0.00 0.00 1.48 0.00 0.00 2.97 0.00 0.00 3.11 0.00 0.00 0.00 0.00 0.81 1.26 7.81 40 G 9.30 3.77 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 0.00 41 H 8.27 4.25 0.00 3.42 3.24 0.00 5.72 0.00 0.00 0.00 0.00 6.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 T 9.12 4.98 4.18 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 1.10 0.00 0.00 43 L 8.35 4.85 0.00 0.59 0.89 0.79 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 44 V 8.69 4.52 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 0.83 0.00 0.00 0.75 0.00 0.00 45 I 8.73 5.41 2.19 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.00 0.69 0.00 0.00 46 P 0.00 5.21 0.00 2.13 2.13 0.00 4.21 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 2.16 1.82 0.00 47 K 9.23 4.35 0.00 1.73 2.00 0.00 1.91 0.00 0.00 1.76 0.00 0.00 2.99 0.00 0.00 3.24 0.00 0.00 0.00 0.00 1.58 1.59 7.81 48 T 7.92 4.03 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 1.20 0.00 0.00 49 H 8.68 4.29 0.00 3.15 3.28 0.00 5.87 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 50 I 7.37 4.50 1.60 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.54 0.70 0.00 0.00 51 E 9.24 4.20 0.00 1.95 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 2.51 2.33 0.00 52 N 7.53 4.97 0.00 2.94 2.89 0.00 0.00 6.03 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 53 V 8.89 3.75 2.40 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 0.24 0.00 0.00 0.87 0.00 0.00 54 Y 7.24 4.30 0.00 3.13 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 55 E 8.10 4.43 0.00 1.95 1.89 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 2.34 2.53 0.00 56 F 7.68 4.05 0.00 3.09 2.84 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 57 T 8.16 4.77 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 1.21 0.00 0.00 58 D 8.62 4.39 0.00 2.72 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 59 E 8.12 3.93 0.00 2.09 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 2.39 2.44 0.00 60 L 8.09 4.19 0.00 1.83 1.92 0.95 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 61 A 8.68 4.03 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 62 K 7.95 4.03 0.00 1.90 2.08 0.00 1.82 0.00 0.00 1.73 0.00 0.00 3.04 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.49 1.51 7.81 63 Q 7.94 4.29 0.00 2.27 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.08 6.61 0.00 0.00 0.00 0.00 0.00 2.32 2.63 0.00 64 Y 8.02 4.44 0.00 3.43 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 65 F 8.51 3.85 0.00 3.23 3.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 H 8.35 4.00 0.00 3.35 3.56 0.00 5.51 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 A 7.25 3.62 0.53 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 0.00 0.00 68 V 6.80 3.10 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 0.88 0.00 0.00 nan 0.00 0.00 69 P 0.00 4.08 0.00 2.00 1.94 0.00 3.29 0.00 0.00 2.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.77 0.00 70 K 7.20 3.87 0.00 1.81 1.79 0.00 1.61 0.00 0.00 1.73 0.00 0.00 2.99 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.42 1.37 7.81 71 I 7.48 3.63 1.62 0.00 0.00 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.27 0.81 0.00 0.00 72 A 8.16 3.91 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 73 R 8.17 3.82 0.00 2.01 1.98 0.00 3.11 0.00 0.00 3.14 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.79 0.00 74 A 8.03 3.99 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 75 I 8.00 3.88 2.04 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 1.52 1.19 1.04 0.00 0.00 76 R 8.37 3.94 0.00 1.86 2.09 0.00 3.09 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.68 0.00 77 D 8.09 4.32 0.00 2.67 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 78 E 7.77 3.85 0.00 1.68 1.69 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 1.64 1.47 0.00 79 F 7.96 4.73 0.00 3.29 3.28 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 80 E 8.36 3.90 0.00 2.14 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 2.29 2.26 0.00 81 P 0.00 4.67 0.00 2.23 1.73 0.00 3.94 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 1.95 1.91 0.00 82 I 8.02 4.13 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 1.34 0.58 0.96 0.00 0.00 83 G 7.51 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 84 L 8.21 4.97 0.00 1.55 1.44 0.87 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 85 N 9.14 5.29 0.00 2.49 2.55 0.00 0.00 6.34 7.46 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 86 T 8.33 5.03 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 1.18 0.00 0.00 87 L 9.03 4.74 0.00 1.50 1.23 0.96 0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 88 N 8.91 5.24 0.00 2.72 2.67 0.00 0.00 6.96 7.79 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 89 N 8.66 4.92 0.00 2.73 2.86 0.00 0.00 6.88 8.00 0.00 0.00 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 N 9.04 4.93 0.00 2.60 2.60 0.00 0.00 7.43 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 G 9.59 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 92 E 9.25 4.55 0.00 2.25 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.41 0.00 93 K 8.19 4.18 0.00 1.83 1.89 0.00 1.81 0.00 0.00 1.75 0.00 0.00 3.07 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.49 1.41 7.81 94 A 8.54 4.54 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 95 G 8.33 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 96 Q 8.10 4.40 0.00 2.29 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.64 0.00 0.00 0.00 0.00 0.00 2.81 2.66 0.00 97 S 8.75 4.43 0.00 3.84 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 98 V 7.49 3.96 1.52 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 -0.04 0.00 0.00 0.49 0.00 0.00 99 F 8.21 4.98 0.00 3.11 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 0.00 100 H 7.71 5.09 0.00 3.14 3.23 0.00 5.78 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 101 Y 8.89 4.25 0.00 2.87 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 0.00 102 H 7.35 4.88 0.00 3.05 3.31 0.00 5.55 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 0.00 103 M 8.97 4.57 0.00 2.27 2.23 0.00 0.00 0.00 0.00 0.00 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.63 0.00 104 H 9.31 4.96 0.00 3.15 3.08 0.00 5.82 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 I 9.13 4.62 1.81 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.94 0.84 0.00 0.00 106 I 8.77 4.59 1.60 0.00 0.00 0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.51 0.80 0.00 0.00 107 P 0.00 4.57 0.00 1.61 1.95 0.00 3.63 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 2.00 0.00 108 R 8.94 4.54 0.00 1.56 1.87 0.00 3.24 0.00 0.00 3.52 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.71 0.00 109 Y 9.14 4.66 0.00 2.95 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 0.00 110 G 8.63 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 0.00 111 K 8.69 3.85 0.00 1.73 1.78 0.00 1.75 0.00 0.00 1.71 0.00 0.00 2.95 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.44 1.47 7.81 112 G 9.21 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 0.00 113 D 7.98 4.47 0.00 2.68 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 0.00 114 G 8.54 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 0.00 115 F 7.90 4.93 0.00 2.88 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 0.00 116 G 7.20 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 A 7.77 4.52 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 0.00 118 V 8.32 3.82 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 0.83 0.00 0.00 0.94 0.00 0.00 119 W 8.66 4.81 0.00 3.22 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 0.00 120 K 8.24 4.42 0.00 1.66 1.60 0.00 1.80 0.00 0.00 1.77 0.00 0.00 2.89 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.33 1.38 7.81 121 T 8.10 4.16 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 1.22 0.00 0.00 122 H 8.28 4.92 0.00 3.32 3.62 0.00 5.65 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 A 8.70 4.05 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 0.00 124 D 8.09 4.58 0.00 2.71 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 0.00 125 D 8.40 4.48 0.00 2.67 2.46 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 0.00 126 Y 7.94 4.59 0.00 2.89 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 0.00 127 K 8.61 4.54 0.00 1.84 1.75 0.00 1.66 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.40 1.42 7.81 128 P 0.00 4.31 0.00 2.27 2.33 0.00 3.71 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.07 0.00 129 E 8.14 4.08 0.00 2.09 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 2.40 2.46 0.00 130 D 8.03 4.35 0.00 2.97 2.83 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 0.00 0.00 0.00 131 L 7.89 4.00 0.00 1.75 1.72 0.92 0.63 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 0.00 132 Q 8.01 3.95 0.00 2.43 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.81 0.00 0.00 0.00 0.00 0.00 2.36 2.45 0.00 133 N 8.29 4.37 0.00 2.93 2.86 0.00 0.00 7.08 6.74 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 0.00 134 I 8.16 3.74 2.04 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.42 0.93 0.00 0.00 135 S 8.35 4.13 0.00 4.02 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 0.00 136 S 8.30 4.08 0.00 3.98 4.07 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 0.00 0.00 0.00 137 S 8.05 4.15 0.00 4.03 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 0.00 138 I 7.73 3.84 2.01 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 1.46 0.92 0.91 0.00 0.00 139 A 8.04 4.02 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 0.00 140 K 7.88 3.96 0.00 1.91 1.89 0.00 1.72 0.00 0.00 1.70 0.00 0.00 3.04 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.69 1.63 7.81 141 R 7.75 4.12 0.00 1.90 1.97 0.00 3.31 0.00 0.00 3.21 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.80 0.00 142 L 6.93 4.23 0.00 1.83 1.59 0.92 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 143 A 8.20 4.17 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 0.00 144 S 8.13 4.46 0.00 3.77 3.73 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 0.00 145 S 8.39 4.35 0.00 4.01 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