NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 25 P 4.4466 0.0000 0.0000 62.9242 33.5967 178.5201 26 G 3.4759 8.0831 106.7444 46.0119 0.0000 173.8768 27 K 4.0766 8.8985 122.9200 59.1366 32.7343 177.4192 28 R 3.9701 8.0988 118.0421 59.3874 30.0176 179.0072 29 R 4.0206 8.1448 117.8243 59.3474 29.9483 178.7284 30 M 4.0189 8.4182 118.0850 58.8392 32.2754 177.7742 31 D 4.3816 8.2293 119.1587 57.8615 41.0011 179.2283 32 T 3.9847 8.0528 109.9400 64.6089 68.9656 176.5972 33 D 4.3928 8.6030 122.2537 57.2199 40.8089 178.9525 34 V 3.3782 8.0237 118.8701 65.9907 31.4886 178.1669 35 I 3.6629 7.9104 119.6920 64.1661 36.9714 178.5034 36 K 3.9244 8.3139 119.6446 59.3615 31.6915 178.9982 37 L 3.9476 7.6432 119.1426 58.1863 42.0614 178.5776 38 I 3.7621 7.6384 118.7153 64.7349 37.2020 178.0518 39 E 4.1140 8.3218 118.1008 58.3784 29.4175 177.6161 40 S 4.4976 7.3924 113.1486 57.0451 63.9837 174.3490 41 K 4.0232 8.4305 119.0526 59.5350 32.2787 177.1017 42 H 4.2974 7.7059 117.4664 55.5993 29.2383 174.6211 43 E 4.3179 8.7699 124.0220 55.8084 30.3861 175.3415 44 V 4.7940 8.3195 124.9719 61.2841 33.8030 174.6869 45 T 4.6248 8.9258 124.8964 61.7899 70.6672 173.7577 46 I 4.3812 8.4455 127.7984 60.7818 38.0719 173.6248 47 L 4.6082 9.2318 125.5627 54.7222 41.9126 181.0091 48 G 3.3201 8.5494 120.8703 47.8201 0.0000 173.0544 49 G 3.9604 7.0911 108.0088 45.2860 0.0000 173.8307 50 L 4.0645 8.5909 118.8560 57.5245 41.7270 178.3622 51 N 4.6593 8.1961 114.3668 53.3872 37.8399 173.9932 52 E 5.0433 8.5701 118.8312 55.3499 33.1560 174.2638 53 F 5.2327 8.0580 118.0087 55.9409 42.2396 172.8344 54 V 4.9253 9.0929 118.8518 61.0668 34.6982 174.2068 55 V 4.8215 8.8382 126.9124 60.7488 34.4862 174.2484 56 K 4.5790 8.5111 129.5960 56.1813 32.9700 175.7753 57 F 4.9498 9.0168 129.0974 56.7250 42.6406 172.6697 58 Y 4.9529 8.1356 123.4965 55.9157 39.5761 175.8683 59 G 4.1872 9.0406 112.0165 45.6860 0.0000 171.7590 60 P 4.5685 0.0000 0.0000 62.1852 32.1227 175.9430 61 Q 4.1374 8.6039 120.4329 57.8075 29.0729 177.1307 62 G 3.9501 9.7779 110.0864 45.8599 0.0000 172.9812 63 T 4.7230 7.2656 108.3545 58.5470 71.4267 173.4020 64 P 4.2441 0.0000 0.0000 65.0808 31.3987 177.0536 65 Y 4.5688 7.7569 114.8253 57.7681 38.2914 174.9994 66 E 4.3117 7.8803 122.1620 57.9998 29.9647 177.0292 67 G 4.0365 9.2073 114.6214 45.0930 0.0000 173.7497 68 G 3.4271 8.2663 107.3421 45.7815 0.0000 172.9672 69 V 4.8046 7.7027 121.1655 60.5196 34.6828 174.5208 70 W 5.3746 9.2340 126.2451 54.9756 33.9809 174.2796 71 K 4.8087 9.4641 122.4219 55.1170 33.5754 175.5898 72 V 4.3577 8.6519 126.5499 60.9505 33.5021 174.4645 73 R 4.6589 8.8313 129.7309 55.6103 31.7402 175.0427 74 V 4.6341 8.3635 126.0374 60.9861 34.6789 173.7174 75 D 5.2168 8.5421 126.6863 52.3851 44.1274 174.6615 76 L 4.9453 8.6128 123.6501 52.2386 43.5380 175.0562 77 P 4.5706 0.0000 0.0000 61.9333 32.5616 176.8622 78 D 4.4093 8.6845 119.2856 57.4784 41.0796 177.6167 79 K 4.5925 8.0043 116.9540 56.3685 32.2051 175.6748 80 Y 4.5796 8.2269 120.2136 57.0355 39.0880 174.0465 81 P 4.1510 0.0000 0.0000 62.5816 31.6881 177.7023 82 F 4.3268 7.9826 119.9853 59.9891 38.7430 175.8725 83 K 4.5852 7.9566 119.9314 54.2590 33.6236 176.2653 84 S 2.7900 8.0341 117.4264 56.7692 63.6232 172.0389 85 P 4.4960 0.0000 0.0000 62.6015 32.1494 175.6966 86 S 4.7470 8.4429 115.7347 56.9632 65.9705 173.2499 87 I 4.9825 7.9849 121.0117 59.7498 41.2702 174.3696 88 G 4.4356 9.0964 113.5878 44.4062 0.0000 171.3855 89 F 4.6451 9.6256 123.3500 56.8951 39.5055 176.6875 90 M 4.3945 9.5437 125.1930 56.7953 32.4917 176.5446 91 N 5.1327 8.2634 114.5431 50.2205 40.0423 174.3302 92 K 4.1895 8.4227 120.7097 56.6500 32.8983 176.0065 93 I 4.9404 8.0938 123.3546 59.3525 41.0298 174.1581 94 F 4.6752 8.7841 128.2316 57.0470 40.0217 174.2118 95 H 4.7083 7.8423 126.2338 54.1419 32.7538 172.4405 96 P 4.2759 0.0000 0.0000 65.2572 31.4148 177.4830 97 N 4.9992 8.1841 112.9784 52.5985 38.8764 173.6265 98 I 4.7156 7.2112 119.1859 58.9452 39.6991 174.9225 99 D 4.3336 8.8529 126.0599 54.0972 41.4525 176.4027 100 E 3.9030 8.9817 127.8721 59.3400 30.0454 177.7547 101 A 4.1561 8.1471 120.3887 54.6866 18.5717 178.1963 102 S 4.4210 8.6232 108.6423 57.9609 64.1623 175.5697 103 G 4.3572 8.4860 109.0404 46.4320 0.0000 173.0086 104 T 4.3474 7.6571 117.8180 63.3806 69.4145 173.9242 105 V 4.0871 8.6529 127.9856 62.2749 32.5574 174.8385 106 C 3.6986 8.9496 128.3009 60.1961 31.8492 174.4500 107 L 3.8881 8.7654 128.2236 58.1078 41.8337 178.3199 108 D 4.3383 8.0502 118.5929 57.3092 40.7452 178.7712 109 V 3.6009 7.7256 118.0515 66.0166 31.5732 177.6019 110 I 3.1378 7.9084 119.7299 64.7020 36.7688 178.1328 111 N 4.3572 8.2545 115.7040 56.4016 38.3582 177.1590 112 Q 4.1153 7.8828 118.6815 58.8176 28.8017 178.1844 113 T 4.1988 7.1146 114.7678 63.6491 69.5692 175.6126 114 W 3.6564 7.6693 131.1046 57.4463 31.4258 174.7757 115 T 4.4640 6.7279 113.3257 59.3362 71.5300 174.3205 116 A 4.2034 8.1888 122.6996 53.6340 18.3259 178.1545 117 L 4.3087 6.9862 113.4610 54.3825 42.5570 176.4169 118 Y 3.6396 6.7930 120.5496 57.1121 39.0367 174.2341 119 D 5.3363 7.6838 124.4806 51.1728 42.9090 176.0004 120 L 4.5660 8.6899 117.8134 58.0565 41.6498 179.3741 121 T 4.0783 8.0762 109.4668 65.1268 68.5746 176.0247 122 N 4.4999 8.4739 118.3113 55.4807 38.3657 177.2980 123 I 3.9476 7.9098 121.6145 64.2546 36.9109 177.8180 124 F 4.4393 8.0622 116.3699 59.1674 39.5096 177.2603 125 E 4.5582 8.5274 117.1064 57.6767 29.9516 176.1724 126 S 4.6754 7.8931 111.5385 59.9216 65.6960 175.6318 127 F 4.3168 8.9459 121.8817 61.6689 39.1014 177.3796 128 L 3.4099 8.3865 118.5157 57.2453 41.4674 177.9448 129 P 4.4155 0.0000 0.0000 65.6636 31.2528 178.7433 130 Q 4.1266 8.2800 117.1135 58.7455 28.4024 178.3469 131 L 3.8057 7.6255 120.8027 58.0991 42.1111 178.7921 132 L 3.8528 7.7554 117.9000 57.4698 41.5279 179.0076 133 A 4.2449 7.8731 120.2097 53.8143 19.0409 177.0525 134 Y 4.5070 7.7207 114.5464 54.8871 39.2177 173.0284 135 P 4.1618 0.0000 0.0000 62.5506 32.1194 175.6420 136 N 4.7300 8.3385 119.9464 52.0379 39.7929 173.3549 137 P 4.4621 0.0000 0.0000 63.2946 31.9654 176.2750 138 I 3.6393 7.7920 119.7705 61.1934 38.2995 174.7895 139 D 4.3456 8.7697 124.8556 54.3045 40.9834 175.3909 140 P 4.5126 0.0000 0.0000 62.6650 32.0792 176.4296 141 L 4.1717 8.3789 119.9330 56.1255 42.1377 177.2711 142 N 4.8681 7.6541 116.5714 50.5210 39.4512 174.1117 143 G 3.6613 8.3737 113.7022 47.6670 0.0000 172.2948 144 D 4.4208 8.1654 120.4439 57.1278 40.8792 178.6314 145 A 3.7058 8.3052 121.2195 54.7363 18.2256 179.5740 146 A 3.8415 8.1512 119.3010 55.2255 18.5126 179.6845 147 A 3.9893 8.2329 119.5160 55.5751 18.4182 179.8480 148 M 4.0311 8.0421 116.6627 58.7235 31.9152 178.0130 149 Y 3.4232 7.8871 118.6748 60.8606 38.8010 178.1985 150 L 3.7456 7.6309 117.9553 56.7740 41.8648 177.4983 151 H 4.8628 8.0133 112.8110 55.4712 31.7399 174.0017 152 R 4.7316 8.1938 118.3928 52.9585 30.7315 174.0059 153 P 4.3029 0.0000 0.0000 66.3622 31.6446 178.3739 154 E 4.0308 8.1727 117.6216 59.1376 29.3497 178.7192 155 E 4.0197 8.2068 119.0331 58.9640 29.7726 177.8553 156 Y 4.3070 8.2971 119.8987 60.9450 38.8788 178.5037 157 K 3.8034 8.2778 119.2241 59.3105 32.0449 179.2547 158 Q 3.8898 7.9785 119.5578 59.0214 28.9313 178.1408 159 K 3.7794 8.1354 120.8616 59.3372 32.0469 178.8900 160 I 3.5729 7.4446 120.1592 64.2175 36.9651 178.4452 161 K 3.9543 8.0692 119.3435 59.5686 31.8695 179.2831 162 E 3.9787 8.4160 118.8388 59.7121 29.3372 179.0152 163 Y 4.2847 8.6133 117.0422 61.0278 37.8227 178.7731 164 I 3.7802 8.4254 121.2226 64.6585 37.0768 178.4509 165 Q 3.9363 7.7627 117.3172 58.8266 28.5678 178.6412 166 K 3.8008 7.8852 119.7119 58.6563 32.2881 177.0383 167 Y 4.7554 8.1177 113.2889 57.6495 40.4867 175.4006 168 A 4.6108 8.6613 123.3515 49.9039 19.3655 174.9362 169 T 4.8123 7.3414 111.3529 59.8719 73.5386 173.8609 170 E 3.9462 8.6305 120.7571 59.8264 29.3858 179.7021 171 E 3.9238 8.0764 117.6541 59.4198 29.4540 179.0778 172 A 4.2878 7.7108 120.7857 54.5836 18.4335 179.3934 173 L 4.1168 7.7612 116.9773 57.5285 41.7274 179.4145 174 K 4.0928 7.7085 117.5571 59.5270 32.2513 176.8226 175 E 4.1442 8.0167 122.4415 56.6530 29.3918 176.8027 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 25 P 0.00 4.45 0.00 2.31 2.42 0.00 3.72 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.03 0.00 26 G 8.08 3.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.90 4.08 0.00 1.90 1.86 0.00 1.76 0.00 0.00 1.85 0.00 0.00 2.96 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.54 1.57 7.81 28 R 8.10 3.97 0.00 2.08 1.99 0.00 3.21 0.00 0.00 3.36 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.82 0.00 29 R 8.14 4.02 0.00 2.13 2.11 0.00 3.32 0.00 0.00 3.07 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.72 0.00 30 M 8.42 4.02 0.00 2.25 2.13 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.53 0.00 31 D 8.23 4.38 0.00 2.76 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 32 T 8.05 3.98 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 33 D 8.60 4.39 0.00 3.11 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 34 V 8.02 3.38 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 0.79 0.00 0.00 1.02 0.00 0.00 35 I 7.91 3.66 1.91 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 1.49 0.50 0.89 0.00 0.00 36 K 8.31 3.92 0.00 2.03 1.88 0.00 1.77 0.00 0.00 1.59 0.00 0.00 2.90 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.47 1.56 7.81 37 L 7.64 3.95 0.00 1.70 1.68 0.99 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 38 I 7.64 3.76 1.96 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.59 0.86 0.00 0.00 39 E 8.32 4.11 0.00 2.04 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 2.34 2.43 0.00 40 S 7.39 4.50 0.00 4.10 4.09 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 41 K 8.43 4.02 0.00 1.85 1.96 0.00 1.54 0.00 0.00 1.68 0.00 0.00 3.13 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.22 1.28 7.81 42 H 7.71 4.30 0.00 3.16 3.13 0.00 5.65 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 E 8.77 4.32 0.00 1.94 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 2.41 2.50 0.00 44 V 8.32 4.79 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 0.62 0.00 0.00 0.82 0.00 0.00 45 T 8.93 4.62 4.27 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 1.23 0.00 0.00 46 I 8.45 4.38 1.89 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 0.72 1.00 0.00 0.00 47 L 9.23 4.61 0.00 1.76 0.80 0.89 0.92 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 48 G 8.55 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 0.00 0.00 0.00 49 G 7.09 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 50 L 8.59 4.06 0.00 1.65 1.75 0.90 0.96 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 51 N 8.20 4.66 0.00 3.01 3.03 0.00 0.00 5.80 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 52 E 8.57 5.04 0.00 1.94 2.16 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 2.17 2.32 0.00 53 F 8.06 5.23 0.00 3.28 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 54 V 9.09 4.93 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 0.94 0.00 0.00 0.92 0.00 0.00 55 V 8.84 4.82 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 0.21 0.00 0.00 0.92 0.00 0.00 56 K 8.51 4.58 0.00 1.78 1.64 0.00 1.78 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 0.90 1.16 7.81 57 F 9.02 4.95 0.00 3.25 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 58 Y 8.14 4.95 0.00 2.84 2.85 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 59 G 9.04 4.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 P 0.00 4.57 0.00 2.33 2.30 0.00 3.89 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.12 0.00 61 Q 8.60 4.14 0.00 2.11 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.12 0.00 0.00 0.00 0.00 0.00 2.40 2.40 0.00 62 G 9.78 3.95 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 0.00 0.00 0.00 63 T 7.27 4.72 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 1.27 0.00 0.00 64 P 0.00 4.24 0.00 1.38 1.89 0.00 3.72 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.13 0.00 65 Y 7.76 4.57 0.00 3.18 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 66 E 7.88 4.31 0.00 2.21 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.34 0.00 67 G 9.21 4.04 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 0.00 0.00 0.00 68 G 8.27 3.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 V 7.70 4.80 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 0.76 0.00 0.00 0.94 0.00 0.00 70 W 9.23 5.37 0.00 3.75 3.15 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 0.00 0.00 0.00 71 K 9.46 4.81 0.00 1.76 1.76 0.00 1.66 0.00 0.00 1.60 0.00 0.00 2.81 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.39 1.39 7.81 72 V 8.65 4.36 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 0.55 0.00 0.00 0.04 0.00 0.00 73 R 8.83 4.66 0.00 1.84 1.68 0.00 3.02 0.00 0.00 3.03 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.56 0.00 74 V 8.36 4.63 0.89 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 0.74 0.00 0.00 1.00 0.00 0.00 75 D 8.54 5.22 0.00 2.46 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 0.00 0.00 0.00 0.00 76 L 8.61 4.95 0.00 1.30 1.26 0.51 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 77 P 0.00 4.57 0.00 2.23 2.13 0.00 3.74 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.08 0.00 78 D 8.68 4.41 0.00 2.70 2.82 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 79 K 8.00 4.59 0.00 1.90 1.94 0.00 1.69 0.00 0.00 1.75 0.00 0.00 2.84 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.56 1.47 7.81 80 Y 8.23 4.58 0.00 3.01 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 81 P 0.00 4.15 0.00 2.05 1.41 0.00 3.38 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.63 0.00 82 F 7.98 4.33 0.00 3.33 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 83 K 7.96 4.59 0.00 1.92 1.69 0.00 1.65 0.00 0.00 1.92 0.00 0.00 3.03 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.46 1.46 7.81 84 S 8.03 2.79 0.00 3.16 3.38 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 85 P 0.00 4.50 0.00 1.64 1.77 0.00 2.33 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.72 0.00 86 S 8.44 4.75 0.00 3.78 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 87 I 7.98 4.98 1.82 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.63 0.73 0.00 0.00 88 G 9.10 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 0.00 0.00 0.00 0.00 89 F 9.63 4.65 0.00 2.88 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 90 M 9.54 4.39 0.00 1.89 2.28 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.61 0.00 91 N 8.26 5.13 0.00 3.10 2.90 0.00 0.00 5.98 7.13 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 92 K 8.42 4.19 0.00 1.12 0.95 0.00 0.66 0.00 0.00 1.67 0.00 0.00 2.13 0.00 0.00 2.49 0.00 0.00 0.00 0.00 1.49 1.47 7.81 93 I 8.09 4.94 1.46 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 1.03 0.89 0.26 0.00 0.00 94 F 8.78 4.68 0.00 2.12 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 95 H 7.84 4.71 0.00 2.87 2.73 0.00 5.74 0.00 0.00 0.00 0.00 6.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 P 0.00 4.28 0.00 1.96 1.92 0.00 2.88 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.92 0.00 97 N 8.18 5.00 0.00 2.68 2.76 0.00 0.00 6.93 7.21 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 98 I 7.21 4.72 1.61 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.27 0.76 0.00 0.00 99 D 8.85 4.33 0.00 2.72 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 0.00 100 E 8.98 3.90 0.00 2.03 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 2.43 2.70 0.00 101 A 8.15 4.16 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 0.00 102 S 8.62 4.42 0.00 3.97 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 0.00 103 G 8.49 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 0.00 0.00 0.00 0.00 104 T 7.66 4.35 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 1.18 0.00 0.00 105 V 8.65 4.09 2.19 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 0.77 0.00 0.00 1.09 0.00 0.00 106 C 8.95 3.70 0.00 3.12 2.85 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 0.00 107 L 8.77 3.89 0.00 1.74 1.60 0.78 1.19 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 0.00 108 D 8.05 4.34 0.00 2.71 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 0.00 109 V 7.73 3.60 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 1.21 0.00 0.00 0.94 0.00 0.00 110 I 7.91 3.14 1.85 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.70 0.53 0.00 0.00 111 N 8.25 4.36 0.00 2.75 2.88 0.00 0.00 7.16 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 0.00 112 Q 7.88 4.12 0.00 2.22 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.84 0.00 0.00 0.00 0.00 0.00 2.40 2.62 0.00 113 T 7.11 4.20 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 0.93 0.00 0.00 114 W 7.67 3.66 0.00 3.06 2.82 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 0.00 115 T 6.73 4.46 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 1.17 0.00 0.00 116 A 8.19 4.20 1.02 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 0.00 0.00 117 L 6.99 4.31 0.00 1.45 1.54 0.79 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 118 Y 6.79 3.64 0.00 2.19 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 0.00 119 D 7.68 5.34 0.00 2.86 2.65 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 0.00 120 L 8.69 4.57 0.00 1.90 2.08 1.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 121 T 8.08 4.08 4.37 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 0.00 0.00 0.00 1.30 0.00 0.00 122 N 8.47 4.50 0.00 2.44 2.52 0.00 0.00 7.01 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 0.00 123 I 7.91 3.95 1.90 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 1.61 1.27 0.30 0.00 0.00 124 F 8.06 4.44 0.00 3.02 3.37 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 0.00 0.00 0.00 0.00 125 E 8.53 4.56 0.00 2.08 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 0.00 2.59 2.79 0.00 126 S 7.89 4.68 0.00 4.18 3.98 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 0.00 127 F 8.95 4.32 0.00 3.18 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 0.00 128 L 8.39 3.41 0.00 1.39 1.16 0.04 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 129 P 0.00 4.42 0.00 2.29 2.26 0.00 3.79 0.00 0.00 4.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.54 0.00 130 Q 8.28 4.13 0.00 2.33 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.81 0.00 0.00 0.00 0.00 0.00 2.61 2.61 0.00 131 L 7.63 3.81 0.00 0.92 1.22 0.82 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 132 L 7.76 3.85 0.00 1.63 1.56 0.32 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 133 A 7.87 4.24 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 0.00 134 Y 7.72 4.51 0.00 3.09 2.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 135 P 0.00 4.16 0.00 1.29 1.49 0.00 3.00 0.00 0.00 3.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.58 1.54 0.00 136 N 8.34 4.73 0.00 2.68 2.85 0.00 0.00 7.07 7.69 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 0.00 137 P 0.00 4.46 0.00 2.23 2.17 0.00 3.86 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.96 0.00 138 I 7.79 3.64 2.15 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 1.29 0.81 0.96 0.00 0.00 139 D 8.77 4.35 0.00 2.69 2.64 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 0.00 0.00 0.00 140 P 0.00 4.51 0.00 2.25 1.99 0.00 3.74 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.96 0.00 141 L 8.38 4.17 0.00 1.60 1.72 1.02 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 142 N 7.65 4.87 0.00 2.74 2.61 0.00 0.00 7.10 7.90 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 0.00 143 G 8.37 3.66 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 0.00 0.00 0.00 144 D 8.17 4.42 0.00 3.02 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 0.00 145 A 8.31 3.71 0.40 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 0.00 0.00 0.00 146 A 8.15 3.84 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 0.00 147 A 8.23 3.99 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 148 M 8.04 4.03 0.00 2.43 2.56 0.00 0.00 0.00 0.00 0.00 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.79 2.68 0.00 149 Y 7.89 3.42 0.00 1.71 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 0.00 150 L 7.63 3.75 0.00 1.38 1.31 0.88 0.70 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 0.00 151 H 8.01 4.86 0.00 3.22 3.26 0.00 5.60 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 152 R 8.19 4.73 0.00 1.88 1.85 0.00 3.22 0.00 0.00 3.27 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.61 0.00 153 P 0.00 4.30 0.00 2.26 2.24 0.00 3.67 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 2.04 1.96 0.00 154 E 8.17 4.03 0.00 2.06 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.38 0.00 155 E 8.21 4.02 0.00 2.07 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.37 0.00 156 Y 8.30 4.31 0.00 3.07 3.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 157 K 8.28 3.80 0.00 1.86 1.80 0.00 1.75 0.00 0.00 1.59 0.00 0.00 2.95 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.53 1.82 7.81 158 Q 7.98 3.89 0.00 2.19 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.81 0.00 0.00 0.00 0.00 0.00 2.34 2.45 0.00 159 K 8.14 3.78 0.00 1.68 1.60 0.00 1.34 0.00 0.00 1.28 0.00 0.00 2.13 0.00 0.00 2.93 0.00 0.00 0.00 0.00 0.30 0.23 7.81 160 I 7.44 3.57 1.59 0.00 0.00 -0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.26 0.49 0.00 0.00 161 K 8.07 3.95 0.00 2.08 1.85 0.00 1.63 0.00 0.00 1.61 0.00 0.00 2.97 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.44 1.51 7.81 162 E 8.42 3.98 0.00 2.23 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 2.32 2.47 0.00 163 Y 8.61 4.28 0.00 3.30 3.38 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 0.00 164 I 8.43 3.78 2.07 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.16 0.90 0.00 0.00 165 Q 7.76 3.94 0.00 2.13 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.98 0.00 0.00 0.00 0.00 0.00 2.56 2.49 0.00 166 K 7.89 3.80 0.00 1.44 0.92 0.00 1.39 0.00 0.00 1.03 0.00 0.00 2.88 0.00 0.00 2.67 0.00 0.00 0.00 0.00 0.30 0.93 7.81 167 Y 8.12 4.76 0.00 3.17 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 0.00 168 A 8.66 4.61 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 169 T 7.34 4.81 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 1.22 0.00 0.00 170 E 8.63 3.95 0.00 1.99 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.39 0.00 171 E 8.08 3.92 0.00 2.02 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 2.37 2.42 0.00 172 A 7.71 4.29 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 0.00 173 L 7.76 4.12 0.00 1.82 1.74 0.88 0.98 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 0.00 174 K 7.71 4.09 0.00 1.93 1.87 0.00 1.70 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.48 1.49 7.81 175 E 8.02 4.14 0.00 2.02 1.85 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 2.32 2.45 0.00