NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 H 4.7525 8.4449 116.3088 55.1986 29.9023 173.2621 3 L 4.2867 7.5119 118.6564 53.3676 43.1671 176.7928 4 T 4.1913 8.8907 115.1234 60.9243 71.9503 175.3455 5 A 3.9108 8.5174 123.8250 55.5844 18.2063 179.4776 6 E 3.8493 8.1995 116.9227 59.7901 29.6137 178.8491 7 E 3.8987 8.1504 118.2796 59.1013 29.4328 179.4915 8 K 3.8549 8.4410 119.2336 59.5863 32.1960 179.5613 9 S 4.3768 8.1334 114.2054 60.9130 63.0956 176.4377 10 L 3.9112 8.1313 123.2037 57.6932 41.4272 179.3966 11 V 3.2585 7.6984 117.9430 66.1329 31.4466 178.2093 12 S 4.3120 8.5981 115.2524 61.5282 62.4734 176.5216 13 G 3.9634 8.2956 107.4729 48.3546 0.0000 175.3152 14 L 3.8242 7.9792 121.5089 56.7469 41.6312 179.2440 15 W 4.2956 9.0506 128.5528 60.7153 30.3951 177.7537 16 A 4.1184 8.2466 119.4166 54.4804 17.8496 178.1695 17 K 4.3348 7.9945 114.9340 56.4727 32.8176 177.2613 18 V 3.5422 7.6583 120.8917 62.5212 31.7823 175.4525 19 N 4.4710 8.4164 125.9093 52.8467 37.6073 175.5035 20 V 3.5630 8.0053 125.7258 63.9241 31.8317 177.4573 21 D 4.5469 7.7797 119.4735 55.7695 41.4304 177.3186 22 E 4.4665 7.8860 117.5718 57.6528 31.2602 178.1472 23 V 3.5165 8.0002 118.6693 65.7494 31.4290 178.2649 24 G 4.3053 7.5031 106.4293 47.4270 0.0000 175.7013 25 G 3.6505 8.0697 108.0473 47.4238 0.0000 175.5010 26 E 3.9592 8.2374 120.6110 59.0735 29.4066 179.2729 27 A 3.9248 8.0874 120.8897 55.0148 18.4240 179.4913 28 L 3.9568 8.2879 119.3217 58.1117 42.2136 179.1929 29 G 3.6222 8.4278 106.0975 48.0826 0.0000 175.7998 30 R 3.8602 8.2156 121.2009 58.4931 29.9491 178.6974 31 L 4.0660 8.1811 120.5274 58.5353 41.8469 179.2458 32 L 4.0850 7.8839 119.8956 56.9833 41.1886 179.6292 33 I 3.7372 7.3469 119.0927 64.0453 37.3787 178.0954 34 V 3.6007 7.9471 117.9678 63.9690 32.6823 175.6020 35 Y 4.0705 7.4045 116.4844 54.2147 37.9409 174.0836 36 P 4.4579 0.0000 0.0000 64.0088 31.7960 177.6997 37 W 4.3872 8.1869 115.6180 59.4215 27.8612 178.0071 38 T 4.3542 7.6154 110.8376 64.2785 68.1437 176.2014 39 Q 4.2803 8.1064 121.1100 58.2995 28.4064 178.2053 40 R 3.7991 7.8239 119.5652 58.9830 30.0966 177.5320 41 F 4.3433 7.5204 115.1117 57.7629 39.5427 175.4875 42 F 4.5856 8.0876 118.6581 56.9638 39.8514 177.1453 43 D 4.4912 8.4262 122.7500 57.3672 40.8522 177.9128 44 S 4.5102 8.2495 110.8988 59.3153 63.2363 174.4157 45 F 4.4501 8.5097 119.4320 57.2506 39.8705 177.9834 46 G 3.8294 8.1157 108.2754 45.0967 0.0000 172.8305 47 D 4.4089 8.7737 122.3542 54.8560 41.3852 176.5429 48 L 4.8404 8.4223 125.3868 54.4800 42.8176 177.7251 49 S 4.3509 8.9718 115.6170 60.1980 63.4556 174.5587 50 T 4.7230 7.9861 111.4603 58.3670 73.0460 172.6217 51 P 4.1772 0.0000 0.0000 66.2534 31.3566 178.7016 52 D 4.4260 8.0207 117.1483 57.2811 40.5714 178.8275 53 S 4.2434 8.2328 115.8378 60.6100 63.3611 176.3811 54 V 3.7185 8.0505 122.1626 66.2333 31.1517 177.8150 55 M 4.3007 8.4008 116.3955 56.7481 31.7134 177.6702 56 S 4.8378 7.7605 113.7042 57.0117 63.5757 172.8618 57 N 4.6975 7.7965 122.2493 53.3494 39.2408 175.0285 58 A 3.9916 8.6796 130.9677 55.3335 18.4942 178.9205 59 K 3.7415 8.4770 118.1665 59.2716 32.0860 179.1520 60 V 3.9168 8.2267 118.2954 65.9334 31.4394 177.8469 61 K 3.9280 8.0446 119.0395 59.5088 31.9951 178.8026 62 A 4.0323 8.2309 121.3091 55.3950 18.2251 179.1452 63 H 4.4015 9.0949 117.3742 59.2917 29.9672 177.6258 64 G 3.7324 8.6217 107.9429 47.7348 0.0000 175.5154 65 K 4.0374 7.9415 121.3264 59.1748 32.1212 179.1786 66 K 4.0181 7.8681 118.8755 59.3582 31.9123 179.3762 67 V 3.6736 8.0460 118.7392 65.9167 31.3662 177.8209 68 L 4.3532 8.0703 119.4446 58.5635 42.1406 178.3392 69 N 4.4909 8.6348 116.7540 56.5904 38.4815 177.2769 70 S 4.1102 8.5292 114.5335 61.3394 62.5049 176.1592 71 F 4.1525 8.6623 120.6516 60.8292 38.8004 177.6044 72 S 4.0378 8.8338 115.0202 61.8093 62.4705 176.3668 73 D 4.4402 8.5263 120.7387 57.5912 41.0143 179.0533 74 G 3.9247 8.1380 105.8009 47.9514 0.0000 175.7276 75 L 3.9759 8.1121 120.4867 56.6936 41.6384 178.7659 76 K 4.3738 7.5789 116.1401 56.6729 32.8282 176.3945 77 N 5.1026 7.9256 117.6013 52.4250 39.8349 176.5254 78 L 4.2284 8.2430 119.8668 57.7429 41.8749 178.2192 79 D 4.5970 7.9373 115.7535 55.0397 41.9731 176.2822 80 N 5.0140 8.4161 118.3923 51.5894 39.7120 175.0094 81 L 4.2014 7.7927 121.9906 57.5767 42.0777 179.2798 82 K 3.9961 8.0638 117.6429 59.4912 32.2390 178.9655 83 G 3.7220 7.9554 105.0618 48.1595 0.0000 175.3745 84 T 3.6971 7.4565 117.1599 65.9408 68.7431 175.7825 85 F 4.5455 8.2808 117.1487 57.1064 39.1878 177.5080 86 A 4.0025 7.5334 123.1351 55.4812 18.2403 180.4758 87 K 3.9925 7.9336 116.3194 59.4637 32.1113 179.5288 88 L 4.2993 7.8783 118.8817 57.3630 41.5727 179.2941 89 S 4.2822 8.6978 115.5214 60.8208 62.4185 176.0414 90 E 3.9285 8.2954 120.4453 59.1090 29.2729 178.4859 91 L 3.8702 8.3807 121.7870 58.6293 42.1188 178.9437 92 H 4.1909 8.6098 116.0947 58.7089 28.1696 177.6705 93 C 4.3140 8.4558 118.4870 62.6544 28.1328 175.5642 94 D 4.3108 8.3635 118.6660 55.6345 41.3317 177.6346 95 K 4.2406 7.9949 118.4747 58.1015 32.9419 177.2573 96 L 4.2582 7.9724 116.9516 55.2429 42.1746 176.3333 97 H 4.2100 7.2832 114.1920 56.6225 26.6539 175.1888 98 V 3.5538 7.7180 118.4977 61.4578 32.2363 174.9457 99 D 4.3118 8.5686 127.2032 53.4324 41.9565 175.0288 100 P 2.9700 0.0000 0.0000 65.0968 31.2812 178.0619 101 E 3.8676 8.3125 118.2029 59.7321 29.2490 178.8468 102 N 4.4456 8.1112 116.2060 55.8093 38.4569 177.3586 103 F 4.4745 7.6472 119.6379 60.6024 38.9804 177.6867 104 K 4.0405 8.1203 117.4599 59.5653 31.8814 179.1711 105 L 3.9305 7.8042 119.0356 57.7304 41.4246 179.4416 106 L 4.1495 8.4008 120.6482 57.9007 42.0665 179.0764 107 G 3.8151 8.6386 106.2144 48.2396 0.0000 175.4705 108 N 4.4983 8.7086 119.7511 55.7407 38.4209 177.8304 109 V 3.6042 8.3205 120.3516 65.7184 31.5331 177.6287 110 L 3.8131 8.3140 120.6420 58.2002 41.8234 179.2013 111 V 3.4837 7.7448 117.8660 66.2314 31.5222 177.5363 112 C 3.9814 8.2290 116.6404 63.0955 27.9038 176.5189 113 V 3.6000 7.9109 119.8616 65.7348 31.0279 178.1335 114 L 3.7117 7.8556 118.8951 57.4586 41.3001 179.1694 115 A 3.6081 7.3463 120.9810 55.2202 18.0583 179.0467 116 H 4.0450 8.1784 115.6734 59.9992 30.0450 176.9686 117 H 3.9126 8.1910 116.7045 57.9438 28.6999 176.9434 118 F 4.8006 8.5946 118.6411 56.2426 40.0336 177.1908 119 G 3.7962 9.0241 108.1332 45.9890 0.0000 177.0272 120 K 3.9488 9.0200 124.0571 59.2164 32.0091 177.6185 121 E 4.1298 8.0269 117.2402 58.8202 29.8458 177.5350 122 F 4.5723 8.2331 123.5956 56.8892 37.9380 175.2015 123 T 4.1506 7.3811 115.6551 60.5220 71.1556 173.2965 124 P 4.2626 0.0000 0.0000 65.9393 31.2020 179.0510 125 Q 3.8948 7.8723 116.1473 58.8335 28.7469 178.5098 126 V 3.4903 7.7655 119.3714 66.0610 31.5217 177.5549 127 Q 3.3309 7.8188 119.1652 58.9757 28.7189 178.0303 128 A 3.9621 8.1263 121.6947 55.3962 18.3617 179.4264 129 A 3.8743 8.0233 118.8262 55.7046 18.4786 179.5594 130 Y 3.9159 8.3978 115.5350 61.1668 37.9267 178.7392 131 Q 4.1466 8.8830 119.5691 58.8325 28.7401 178.9786 132 K 4.0325 7.9839 119.3958 59.1904 32.0586 179.5452 133 V 3.5109 7.5801 118.0818 66.2629 31.5280 178.6290 134 V 3.9460 8.1028 111.9149 64.1862 31.3452 178.4329 135 A 4.0985 8.2649 120.8045 55.1487 18.2090 179.8556 136 G 3.5176 8.5266 104.5086 47.8730 0.0000 176.0566 137 V 2.8839 8.1179 120.9635 65.3454 31.5277 177.8515 138 A 3.8634 8.3499 120.7439 55.3609 18.3066 179.3718 139 N 4.3290 8.6029 115.0926 56.3591 38.3715 177.5496 140 A 3.9772 7.9886 121.5748 55.2227 18.2678 179.4500 141 L 3.8421 8.1947 117.5205 57.3677 41.6343 178.9917 142 A 4.6497 8.1187 119.5603 53.6727 18.6631 178.2103 143 H 4.3627 7.8741 114.3453 56.9355 29.7532 174.9509 144 K 4.5486 7.6940 119.6420 56.2326 32.5358 175.5871 145 Y 4.3310 7.7983 120.2380 58.1605 38.7780 174.6903 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 H 8.44 4.75 0.00 3.22 3.46 0.00 5.68 0.00 0.00 0.00 0.00 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 L 7.51 4.29 0.00 1.66 1.57 0.84 0.57 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 4 T 8.89 4.19 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 1.24 0.00 0.00 5 A 8.52 3.91 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 6 E 8.20 3.85 0.00 2.07 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 2.45 0.00 7 E 8.15 3.90 0.00 2.28 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.31 0.00 8 K 8.44 3.85 0.00 1.77 1.80 0.00 1.61 0.00 0.00 1.64 0.00 0.00 2.96 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.68 1.56 7.81 9 S 8.13 4.38 0.00 4.06 4.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 L 8.13 3.91 0.00 1.83 1.73 0.88 0.99 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 11 V 7.70 3.26 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 0.46 0.00 0.00 0.35 0.00 0.00 12 S 8.60 4.31 0.00 3.87 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 13 G 8.30 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 14 L 7.98 3.82 0.00 1.93 1.55 0.68 -0.05 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 15 W 9.05 4.30 0.00 3.70 3.23 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 16 A 8.25 4.12 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 17 K 7.99 4.33 0.00 2.07 2.20 0.00 1.62 0.00 0.00 1.77 0.00 0.00 2.94 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.51 1.40 7.81 18 V 7.66 3.54 1.40 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 0.14 0.00 0.00 0.72 0.00 0.00 19 N 8.42 4.47 0.00 2.66 2.62 0.00 0.00 6.97 7.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 V 8.01 3.56 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 0.00 0.00 0.90 0.00 0.00 21 D 7.78 4.55 0.00 2.81 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 22 E 7.89 4.47 0.00 1.89 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 2.43 2.22 0.00 23 V 8.00 3.52 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.00 0.00 0.56 0.00 0.00 24 G 7.50 4.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 G 8.07 3.65 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 0.00 0.00 0.00 0.00 0.00 0.00 26 E 8.24 3.96 0.00 2.13 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 2.31 2.51 0.00 27 A 8.09 3.92 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 28 L 8.29 3.96 0.00 1.85 1.66 0.73 1.38 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 29 G 8.43 3.62 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 0.00 30 R 8.22 3.86 0.00 1.99 1.92 0.00 3.08 0.00 0.00 3.01 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.68 0.00 31 L 8.18 4.07 0.00 1.87 1.87 0.97 0.73 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 32 L 7.88 4.09 0.00 1.76 1.58 0.48 0.23 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 33 I 7.35 3.74 1.86 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 0.48 0.81 0.00 0.00 34 V 7.95 3.60 1.45 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 -0.13 0.00 0.00 0.74 0.00 0.00 35 Y 7.40 4.07 0.00 2.41 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 36 P 0.00 4.46 0.00 2.21 2.09 0.00 3.93 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 2.12 2.10 0.00 37 W 8.19 4.39 0.00 3.59 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 38 T 7.62 4.35 4.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.00 0.00 39 Q 8.11 4.28 0.00 2.25 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.82 0.00 0.00 0.00 0.00 0.00 2.35 2.43 0.00 40 R 7.82 3.80 0.00 1.72 1.57 0.00 3.10 0.00 0.00 2.97 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 1.46 0.00 41 F 7.52 4.34 0.00 2.34 2.53 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 42 F 8.09 4.59 0.00 2.84 2.34 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 43 D 8.43 4.49 0.00 2.70 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 44 S 8.25 4.51 0.00 4.10 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 45 F 8.51 4.45 0.00 3.37 3.25 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 46 G 8.12 3.83 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 0.00 0.00 0.00 47 D 8.77 4.41 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 48 L 8.42 4.84 0.00 1.65 1.60 1.03 1.00 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 49 S 8.97 4.35 0.00 3.94 4.02 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 50 T 7.99 4.72 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 1.21 0.00 0.00 51 P 0.00 4.18 0.00 2.14 2.12 0.00 3.57 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 2.08 2.15 0.00 52 D 8.02 4.43 0.00 2.75 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 53 S 8.23 4.24 0.00 4.15 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 54 V 8.05 3.72 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 1.01 0.00 0.00 0.99 0.00 0.00 55 M 8.40 4.30 0.00 1.95 2.12 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 2.59 2.81 0.00 56 S 7.76 4.84 0.00 4.03 4.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 N 7.80 4.70 0.00 3.07 2.91 0.00 0.00 7.06 8.59 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 58 A 8.68 3.99 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 59 K 8.48 3.74 0.00 1.53 1.30 0.00 1.19 0.00 0.00 0.61 0.00 0.00 2.32 0.00 0.00 2.70 0.00 0.00 0.00 0.00 0.35 1.02 7.81 60 V 8.23 3.92 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 1.06 0.00 0.00 1.05 0.00 0.00 61 K 8.04 3.93 0.00 1.90 1.93 0.00 1.68 0.00 0.00 1.65 0.00 0.00 3.07 0.00 0.00 3.21 0.00 0.00 0.00 0.00 1.44 1.45 7.81 62 A 8.23 4.03 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 63 H 9.09 4.40 0.00 3.50 3.83 0.00 5.80 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 64 G 8.62 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 0.00 0.00 0.00 65 K 7.94 4.04 0.00 2.04 2.02 0.00 1.65 0.00 0.00 1.67 0.00 0.00 2.98 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.47 1.73 7.81 66 K 7.87 4.02 0.00 1.97 1.89 0.00 1.82 0.00 0.00 1.65 0.00 0.00 2.93 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.51 1.61 7.81 67 V 8.05 3.67 2.37 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 1.39 0.00 0.00 1.03 0.00 0.00 68 L 8.07 4.35 0.00 2.07 1.89 1.02 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 69 N 8.63 4.49 0.00 2.97 2.95 0.00 0.00 6.73 8.06 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 70 S 8.53 4.11 0.00 4.12 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 71 F 8.66 4.15 0.00 3.57 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 72 S 8.83 4.04 0.00 4.23 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 73 D 8.53 4.44 0.00 2.62 2.47 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 74 G 8.14 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 75 L 8.11 3.98 0.00 1.34 1.47 -0.25 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 76 K 7.58 4.37 0.00 1.85 1.83 0.00 1.66 0.00 0.00 1.71 0.00 0.00 3.08 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.44 1.71 7.81 77 N 7.93 5.10 0.00 2.73 2.67 0.00 0.00 6.89 6.38 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 78 L 8.24 4.23 0.00 1.58 1.69 0.85 1.04 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 79 D 7.94 4.60 0.00 2.64 2.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 N 8.42 5.01 0.00 2.62 2.60 0.00 0.00 7.14 6.55 0.00 0.00 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 7.79 4.20 0.00 1.74 1.80 0.89 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 82 K 8.06 4.00 0.00 1.67 1.80 0.00 1.69 0.00 0.00 1.54 0.00 0.00 2.90 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.27 1.45 7.81 83 G 7.96 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 84 T 7.46 3.70 4.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.36 0.00 0.00 85 F 8.28 4.55 0.00 3.07 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 86 A 7.53 4.00 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 87 K 7.93 3.99 0.00 1.75 1.85 0.00 1.67 0.00 0.00 1.80 0.00 0.00 2.93 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.50 1.44 7.81 88 L 7.88 4.30 0.00 1.93 1.80 0.96 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 89 S 8.70 4.28 0.00 4.09 4.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 E 8.30 3.93 0.00 2.35 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 2.43 2.30 0.00 91 L 8.38 3.87 0.00 1.80 1.91 0.91 1.04 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 92 H 8.61 4.19 0.00 3.45 3.68 0.00 5.86 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 C 8.46 4.31 0.00 3.20 3.42 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 94 D 8.36 4.31 0.00 2.73 2.72 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 95 K 7.99 4.24 0.00 1.70 1.98 0.00 1.77 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.37 1.46 7.81 96 L 7.97 4.26 0.00 1.80 1.62 0.69 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 97 H 7.28 4.21 0.00 3.27 3.47 0.00 5.84 0.00 0.00 0.00 0.00 8.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 V 7.72 3.55 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 0.36 0.00 0.00 -0.01 0.00 0.00 99 D 8.57 4.31 0.00 2.67 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 0.00 100 P 0.00 2.97 0.00 2.07 2.06 0.00 3.51 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.10 0.00 101 E 8.31 3.87 0.00 2.01 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 2.28 2.41 0.00 102 N 8.11 4.45 0.00 2.82 2.90 0.00 0.00 6.96 8.31 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 0.00 103 F 7.65 4.47 0.00 3.13 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 K 8.12 4.04 0.00 1.93 1.90 0.00 1.81 0.00 0.00 1.84 0.00 0.00 2.98 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.59 1.74 7.81 105 L 7.80 3.93 0.00 1.66 1.13 0.53 0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 106 L 8.40 4.15 0.00 1.92 1.97 1.01 1.48 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 0.00 107 G 8.64 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 N 8.71 4.50 0.00 3.00 2.96 0.00 0.00 6.73 7.38 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 0.00 109 V 8.32 3.60 2.28 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 1.14 0.00 0.00 1.19 0.00 0.00 110 L 8.31 3.81 0.00 1.57 1.76 0.80 -0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 111 V 7.74 3.48 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 1.18 0.00 0.00 1.16 0.00 0.00 112 C 8.23 3.98 0.00 3.14 2.94 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 0.00 113 V 7.91 3.60 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 0.90 0.00 0.00 0.92 0.00 0.00 114 L 7.86 3.71 0.00 0.86 1.22 0.45 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 115 A 7.35 3.61 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 H 8.18 4.04 0.00 3.14 3.50 0.00 5.78 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 H 8.19 3.91 0.00 2.52 2.52 0.00 5.71 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 F 8.59 4.80 0.00 3.21 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 0.00 119 G 9.02 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 0.00 120 K 9.02 3.95 0.00 1.77 1.92 0.00 1.81 0.00 0.00 1.73 0.00 0.00 3.03 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.47 1.52 7.81 121 E 8.03 4.13 0.00 2.36 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 2.39 2.33 0.00 122 F 8.23 4.57 0.00 3.00 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 0.00 123 T 7.38 4.15 4.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 124 P 0.00 4.26 0.00 2.15 2.14 0.00 3.58 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 2.11 2.19 0.00 125 Q 7.87 3.89 0.00 2.09 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.89 0.00 0.00 0.00 0.00 0.00 2.42 2.44 0.00 126 V 7.77 3.49 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 1.05 0.00 0.00 0.96 0.00 0.00 127 Q 7.82 3.33 0.00 1.48 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.50 0.00 0.00 0.00 0.00 0.00 2.39 2.56 0.00 128 A 8.13 3.96 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 129 A 8.02 3.87 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 0.00 130 Y 8.40 3.92 0.00 3.24 3.23 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 0.00 131 Q 8.88 4.15 0.00 2.23 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.81 0.00 0.00 0.00 0.00 0.00 2.76 2.61 0.00 132 K 7.98 4.03 0.00 1.91 1.82 0.00 1.74 0.00 0.00 1.74 0.00 0.00 2.93 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.50 1.64 7.81 133 V 7.58 3.51 2.24 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 1.04 0.00 0.00 0.73 0.00 0.00 134 V 8.10 3.95 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 0.89 0.00 0.00 1.13 0.00 0.00 135 A 8.26 4.10 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 0.00 136 G 8.53 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 137 V 8.12 2.88 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 -0.37 0.00 0.00 0.73 0.00 0.00 138 A 8.35 3.86 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 0.00 139 N 8.60 4.33 0.00 2.93 2.90 0.00 0.00 6.95 7.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 140 A 7.99 3.98 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 0.00 141 L 8.19 3.84 0.00 1.14 0.43 -0.27 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 142 A 8.12 4.65 1.57 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 0.00 143 H 7.87 4.36 0.00 3.44 3.47 0.00 5.73 0.00 0.00 0.00 0.00 6.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 144 K 7.69 4.55 0.00 1.77 1.69 0.00 1.76 0.00 0.00 1.83 0.00 0.00 3.02 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.29 1.29 7.81 145 Y 7.80 4.33 0.00 3.02 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