NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4217 8.3049 120.3487 54.7402 33.4242 175.1247 2 L 3.9183 8.4011 124.9563 54.8416 42.0956 175.5800 3 K 4.4223 8.7539 121.7862 56.2440 33.1214 175.9002 4 Q 4.4528 7.6181 120.5297 54.4847 31.7770 174.3956 5 V 3.9571 8.7338 127.1248 63.6594 33.0893 174.3704 6 E 4.8961 8.9191 125.7111 54.5577 32.7255 175.0336 7 I 5.6331 8.1206 123.9818 58.4364 41.5673 174.4752 8 F 5.4959 8.7470 123.0643 56.0841 42.9992 173.8263 9 T 5.3271 8.8699 112.2302 60.5492 71.5880 172.4410 10 D 4.8794 9.0248 121.2236 53.3296 45.2725 174.0136 11 G 4.4150 8.6376 108.5343 44.6306 0.0000 171.7545 12 S 4.8555 9.0035 115.7454 56.5746 66.4280 172.8334 13 C 4.6984 8.4247 120.9866 58.7637 33.7851 172.6768 14 L 4.5040 8.4052 128.2100 54.9126 41.7923 176.1303 15 G 4.0451 8.7204 110.6143 44.8529 0.0000 173.1830 16 N 4.9039 8.4742 122.2064 50.9252 39.5355 171.5193 17 P 4.7884 0.0000 0.0000 61.3075 34.4643 173.9627 18 G 3.9813 8.3367 105.7501 44.9731 0.0000 171.0572 19 P 5.0274 0.0000 0.0000 62.4284 31.7280 176.5569 20 G 4.3025 9.3775 110.4133 45.2991 0.0000 171.1493 21 G 4.7226 9.1264 107.0334 45.3086 0.0000 171.1902 22 Y 5.5195 8.6125 116.8596 55.1766 41.9756 174.6069 23 G 4.5381 9.1807 106.8425 44.7477 0.0000 171.6029 24 A 5.4677 9.2389 123.3101 50.4366 23.3588 175.0802 25 I 5.0088 9.1827 122.9587 59.3778 40.5151 174.4336 26 L 5.1633 9.3057 128.8902 53.4609 45.0267 175.1944 27 R 4.9879 9.3039 126.8999 55.2864 31.9344 175.4777 28 Y 4.7741 9.3872 126.2314 56.7725 42.2383 174.6643 29 R 3.7861 9.4148 129.2814 57.3718 28.2672 177.0708 30 G 4.0234 7.9832 103.7059 46.0619 0.0000 173.3515 31 R 4.3321 7.6858 119.2653 54.9507 31.3494 174.9116 32 E 5.0311 8.6123 122.5387 54.7480 31.0563 175.0283 33 K 4.5429 9.0132 127.3226 55.2778 34.7705 175.9691 34 T 5.0785 7.9972 118.6744 61.9243 71.6293 173.2524 35 F 5.0648 9.0323 125.2019 56.0201 42.2652 174.7400 36 S 4.6679 8.8109 112.6423 58.3143 65.2652 174.2032 37 A 4.4629 7.0510 127.0637 50.5811 22.7458 174.8901 38 G 4.4213 8.4029 106.6068 44.7060 0.0000 171.9427 39 Y 5.3311 9.4174 119.4593 55.9810 41.5060 176.9650 40 T 3.8821 8.7983 113.8422 64.5099 70.2644 173.9145 41 R 4.6253 7.8123 122.3678 55.5940 32.3067 173.5219 42 T 4.2440 8.9438 121.7017 61.4744 71.5938 171.7072 43 T 4.7704 8.0592 110.9791 59.4514 72.0801 174.6037 44 N 4.1803 8.9499 120.5873 57.3440 38.8402 176.6976 45 N 4.1130 7.9298 116.9277 56.4265 38.4451 177.5238 46 R 3.9147 7.7919 118.8418 59.3173 30.1037 179.0278 47 M 4.0363 7.9570 118.6453 58.2364 31.7701 178.6176 48 E 4.0813 8.2052 118.9249 59.1800 29.6359 179.3615 49 L 3.7705 7.8780 119.2503 57.7390 41.6378 179.1441 50 M 3.7027 8.1066 118.0303 58.3882 32.0244 177.7331 51 A 3.3317 7.4672 120.9721 55.4059 18.3878 179.7516 52 L 3.8927 7.3617 116.5582 57.7801 41.5842 179.8240 53 I 3.5833 7.4884 119.8145 64.3069 36.8888 178.7220 54 V 3.3224 7.5695 118.8099 65.7818 31.1041 178.0252 55 A 3.4183 7.0916 119.3502 54.8228 18.4727 179.3479 56 L 3.8838 7.9693 117.8596 57.8725 41.5226 179.4028 57 E 4.0338 8.2163 116.9512 58.3721 29.4575 178.6654 58 A 4.2170 7.3457 120.3168 53.0168 18.5542 177.3228 59 L 3.7706 7.1730 118.4064 54.2595 42.1078 176.9130 60 K 4.5333 8.7919 122.5612 55.8241 32.3424 175.3950 61 E 4.6340 7.6886 115.7246 55.0835 32.0008 174.2811 62 H 4.5274 8.3460 116.4309 56.2380 29.2302 174.8216 63 C 4.9701 8.8585 118.5203 58.3401 33.5823 172.3930 64 E 4.9257 8.6578 119.6470 55.0711 31.0263 175.3843 65 V 4.6610 8.6185 124.6370 60.8259 35.1940 173.8212 66 I 4.5521 8.3627 127.5960 59.1440 40.4460 173.8420 67 L 4.5444 8.4405 130.2976 53.0076 43.6371 175.3485 68 S 5.1347 8.6082 120.0943 56.7528 64.3853 172.6820 69 T 5.1245 8.8180 120.8472 60.8090 71.0799 173.4274 70 D 5.7761 8.7344 124.6539 52.3849 40.2180 176.0439 71 S 4.3345 8.0216 116.5613 58.4131 62.8715 174.8282 72 Q 3.8452 8.8126 128.8390 59.0084 28.8296 177.2512 73 Y 4.0871 8.0147 120.2841 60.8069 38.9292 178.0306 74 V 3.6829 8.0889 119.1670 65.9797 31.5113 177.9476 75 R 2.0000 7.3513 118.1307 58.6889 29.6430 178.4823 76 Q 3.2066 7.5455 118.2134 58.3888 28.4307 178.9041 77 G 2.6682 6.6044 106.4263 47.4803 0.0000 175.7407 78 I 3.5284 7.1039 121.6288 63.9830 37.2697 178.3238 79 T 4.0211 7.2899 108.2297 63.0575 68.9930 175.3709 80 Q 4.1579 7.4029 118.3846 55.6937 31.6943 176.8013 81 W 3.9216 6.9821 116.2539 58.4256 29.7655 178.2915 82 I 3.3207 7.0210 119.7633 64.6304 36.4123 177.7821 83 H 3.9011 7.9103 118.2267 59.5353 29.5043 176.8018 84 N 4.2803 7.7704 117.3490 55.4566 38.4386 177.4649 85 W 4.2373 7.8846 120.8534 59.6708 29.1322 178.2880 86 K 3.2252 7.7452 118.6665 59.5848 31.2971 179.5358 87 K 4.0311 7.4299 116.8093 58.4305 31.7678 178.6436 88 R 4.5202 7.4341 117.3024 54.7753 30.3664 176.3992 89 G 4.0380 8.4227 106.1437 46.7558 0.0000 173.9169 90 W 3.4479 8.3194 114.1632 57.7082 27.1446 174.6138 91 K 5.0009 7.2897 116.0781 54.6080 35.0792 177.0958 92 T 4.2629 8.2130 112.0278 60.7468 70.1006 175.1562 93 A 3.9658 8.4738 123.5604 55.2222 18.3463 178.0135 94 D 4.5865 8.0159 113.0967 53.1478 39.5529 176.7337 95 K 3.8899 7.9870 116.9711 57.4470 30.3002 175.8157 96 K 4.4266 7.7303 118.1760 54.3344 33.3638 174.4239 97 P 4.7357 0.0000 0.0000 63.2593 32.0813 176.7930 98 V 3.5582 8.2480 116.5456 60.5872 32.7210 175.6609 99 K 3.8463 8.4336 124.8195 57.8752 32.6387 175.9229 100 N 4.4736 8.9915 122.3471 54.3692 36.5136 176.2106 101 V 3.5601 7.5941 121.4049 65.2085 30.9155 177.5157 102 D 4.2264 8.0363 118.9897 56.4796 38.9923 178.6809 103 L 3.9862 7.7641 120.1975 56.6341 41.7501 179.2016 104 W 4.4424 8.5615 119.4666 60.0054 28.9476 178.5819 105 Q 3.5704 7.9923 118.1009 58.6996 28.0050 178.8069 106 R 3.8324 7.7674 119.3296 59.0982 30.1219 178.3276 107 L 3.9277 8.3408 120.6105 58.2306 42.1722 178.1275 108 D 4.5961 8.7850 118.2497 57.6801 40.9024 178.2141 109 A 4.0422 8.1943 119.7307 55.2986 18.7303 179.2108 110 A 4.1130 7.9499 118.7966 55.2391 18.4572 179.7477 111 L 4.1591 8.6685 118.1350 57.8436 41.4870 179.1944 112 G 3.8810 7.9702 102.3392 45.4871 0.0000 174.0139 113 Q 4.3994 7.9732 119.3846 56.3228 29.6461 174.7474 114 H 5.0264 7.7712 113.8761 53.7565 33.3847 173.2150 115 Q 4.2430 8.7372 120.0610 55.8456 29.4672 175.1127 116 I 4.6376 8.2960 125.1516 59.1886 39.7189 175.1615 117 K 4.5112 8.5170 127.0832 54.3089 35.4005 174.5917 118 W 4.6396 8.6091 126.1771 54.6642 31.7539 174.9826 119 E 4.1956 8.8883 124.8706 54.3097 31.6167 174.9130 120 W 5.1001 8.5400 128.4250 55.9867 28.6722 176.6823 121 V 4.2403 8.4851 118.5880 60.3298 32.7440 175.9536 122 K 4.7021 8.5775 121.6864 55.3987 33.3649 178.6369 123 G 3.6853 8.7649 110.5404 48.7994 0.0000 174.6340 124 H 4.5667 8.3094 112.9456 56.0512 29.4240 175.0029 125 A 4.6216 7.2457 123.0961 51.5023 19.1528 176.3008 126 G 4.0161 7.8867 108.8167 46.1761 0.0000 174.1345 127 H 4.6189 8.5430 117.4402 53.8407 31.4474 174.8677 128 P 4.2301 0.0000 0.0000 66.1106 30.9830 178.9088 129 E 3.7240 7.7117 116.7987 59.2095 29.2820 178.8523 130 N 4.4564 7.9066 116.0922 56.2795 38.7768 177.1694 131 E 3.9826 8.1937 120.1168 59.4633 29.4889 179.4320 132 R 3.9387 7.9297 118.4800 59.4947 30.0205 178.3113 133 C 4.1860 8.1089 116.6501 62.8466 28.1254 175.4951 134 D 4.5643 8.1087 120.9761 56.7967 40.7644 178.3171 135 E 3.9702 8.0175 118.5906 59.3360 29.4529 179.1931 136 L 3.9624 8.1832 118.9628 57.7422 41.6884 179.4475 137 A 3.9456 8.2860 120.8182 55.4334 18.1547 180.0099 138 R 3.9017 7.8961 115.0335 59.1977 30.2565 178.8735 139 A 4.1131 8.1711 120.6223 54.9128 18.3662 179.5855 140 A 3.8627 8.4392 119.6391 55.2312 18.2483 179.6384 141 A 4.0878 7.9746 118.2545 55.5914 18.4316 179.3832 142 M 4.2532 7.5709 116.2493 56.8424 33.4792 176.3573 143 N 4.9650 7.7314 116.4642 51.0696 38.9614 171.7205 144 P 4.4861 0.0000 0.0000 62.6740 32.7194 177.2023 145 T 4.5328 8.3640 108.4920 60.7498 70.4787 173.3293 146 L 4.6472 7.3122 121.6177 52.8255 44.9245 174.3758 147 E 4.8154 8.4379 120.8797 54.7957 30.8117 176.1196 148 D 4.7413 8.6263 126.3666 53.7304 39.7227 176.0131 149 T 4.0540 8.2577 118.5442 63.5092 67.9016 175.2843 150 G 4.1175 7.5580 107.2151 45.4036 0.0000 173.1100 151 Y 4.2421 7.5505 122.3050 56.9318 39.4522 174.5834 152 Q 4.1904 7.2404 124.7317 53.8033 32.1918 175.8548 153 V 3.6375 8.0328 120.9140 64.2858 32.0436 175.4551 154 E 4.5557 7.8077 119.7196 54.2755 31.7684 175.6030 155 V 3.9062 8.3527 118.2200 61.4960 31.8820 175.6620 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 4.42 0.00 1.99 2.02 0.00 0.00 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.57 0.00 2 L 8.40 3.92 0.00 1.78 1.78 1.02 0.62 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 3 K 8.75 4.42 0.00 1.74 1.82 0.00 1.76 0.00 0.00 1.63 0.00 0.00 2.92 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.40 1.36 7.81 4 Q 7.62 4.45 0.00 1.98 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.66 6.90 0.00 0.00 0.00 0.00 0.00 2.15 2.39 0.00 5 V 8.73 3.96 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 0.87 0.00 0.00 1.01 0.00 0.00 6 E 8.92 4.90 0.00 1.96 1.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.36 0.00 7 I 8.12 5.63 1.61 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.41 0.82 0.00 0.00 8 F 8.75 5.50 0.00 2.92 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 9 T 8.87 5.33 4.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 10 D 9.02 4.88 0.00 2.86 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 11 G 8.64 4.41 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 0.00 12 S 9.00 4.86 0.00 3.87 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 C 8.42 4.70 0.00 2.90 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 14 L 8.41 4.50 0.00 1.76 1.65 0.92 0.54 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 15 G 8.72 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 N 8.47 4.90 0.00 2.67 2.71 0.00 0.00 7.05 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 17 P 0.00 4.79 0.00 1.66 1.34 0.00 3.86 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.90 0.00 18 G 8.34 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 0.00 0.00 0.00 19 P 0.00 5.03 0.00 1.94 2.01 0.00 3.69 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.03 0.00 20 G 9.38 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 0.00 0.00 0.00 0.00 21 G 9.13 4.72 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 22 Y 8.61 5.52 0.00 3.19 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 23 G 9.18 4.54 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 0.00 0.00 0.00 24 A 9.24 5.47 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 25 I 9.18 5.01 2.11 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 1.17 0.94 1.05 0.00 0.00 26 L 9.31 5.16 0.00 1.90 1.79 0.83 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 27 R 9.30 4.99 0.00 1.84 1.93 0.00 3.28 0.00 0.00 3.29 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.77 0.00 28 Y 9.39 4.77 0.00 2.81 2.80 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 29 R 9.41 3.79 0.00 1.46 1.43 0.00 3.23 0.00 0.00 3.11 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.54 0.00 30 G 7.98 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 0.00 0.00 0.00 31 R 7.69 4.33 0.00 2.05 1.85 0.00 3.03 0.00 0.00 3.08 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.67 0.00 32 E 8.61 5.03 0.00 1.98 1.86 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 2.22 2.37 0.00 33 K 9.01 4.54 0.00 1.69 1.20 0.00 1.85 0.00 0.00 1.65 0.00 0.00 2.91 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.32 1.45 7.81 34 T 8.00 5.08 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 1.23 0.00 0.00 35 F 9.03 5.06 0.00 3.13 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 36 S 8.81 4.67 0.00 3.80 3.60 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 37 A 7.05 4.46 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 38 G 8.40 4.42 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 0.00 39 Y 9.42 5.33 0.00 2.88 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 40 T 8.80 3.88 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 1.27 0.00 0.00 41 R 7.81 4.63 0.00 1.76 1.78 0.00 3.25 0.00 0.00 3.17 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 1.51 0.00 42 T 8.94 4.24 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 1.17 0.00 0.00 43 T 8.06 4.77 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 1.33 0.00 0.00 44 N 8.95 4.18 0.00 2.83 2.83 0.00 0.00 6.92 6.71 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 45 N 7.93 4.11 0.00 2.27 1.42 0.00 0.00 7.05 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 46 R 7.79 3.91 0.00 1.81 1.88 0.00 3.44 0.00 0.00 3.38 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.67 0.00 47 M 7.96 4.04 0.00 2.33 2.26 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.79 0.00 48 E 8.21 4.08 0.00 2.23 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 0.00 2.48 2.68 0.00 49 L 7.88 3.77 0.00 1.68 1.43 0.22 -0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 50 M 8.11 3.70 0.00 1.83 1.89 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.51 0.00 51 A 7.47 3.33 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 52 L 7.36 3.89 0.00 1.94 1.74 1.18 0.87 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 53 I 7.49 3.58 1.84 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 1.34 0.67 0.84 0.00 0.00 54 V 7.57 3.32 1.63 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 0.61 0.00 0.00 0.70 0.00 0.00 55 A 7.09 3.42 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 56 L 7.97 3.88 0.00 1.66 1.63 0.86 0.93 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 57 E 8.22 4.03 0.00 1.85 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 2.30 2.44 0.00 58 A 7.35 4.22 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 59 L 7.17 3.77 0.00 1.60 1.41 0.45 -0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 60 K 8.79 4.53 0.00 1.89 1.88 0.00 1.80 0.00 0.00 1.81 0.00 0.00 3.08 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.69 1.58 7.81 61 E 7.69 4.63 0.00 2.03 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 2.31 2.32 0.00 62 H 8.35 4.53 0.00 3.06 3.29 0.00 5.72 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 C 8.86 4.97 0.00 2.77 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 64 E 8.66 4.93 0.00 1.89 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 2.31 2.29 0.00 65 V 8.62 4.66 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 0.64 0.00 0.00 0.70 0.00 0.00 66 I 8.36 4.55 1.68 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 0.94 1.41 0.84 0.00 0.00 67 L 8.44 4.54 0.00 0.43 1.04 -0.70 0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 68 S 8.61 5.13 0.00 3.69 3.44 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 69 T 8.82 5.12 4.47 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 1.69 0.00 0.00 70 D 8.73 5.78 0.00 2.98 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 71 S 8.02 4.33 0.00 3.96 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 72 Q 8.81 3.85 0.00 2.14 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.68 0.00 0.00 0.00 0.00 0.00 2.38 2.29 0.00 73 Y 8.01 4.09 0.00 3.22 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 74 V 8.09 3.68 2.21 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 1.11 0.00 0.00 1.05 0.00 0.00 75 R 7.35 2.00 0.00 0.67 1.37 0.00 2.46 0.00 0.00 2.68 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.69 0.50 0.00 76 Q 7.55 3.21 0.00 1.05 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.55 0.00 0.00 0.00 0.00 0.00 2.04 2.14 0.00 77 G 6.60 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 0.00 0.00 0.00 78 I 7.10 3.53 1.45 0.00 0.00 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 1.60 -0.04 0.69 0.00 0.00 79 T 7.29 4.02 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 0.96 0.00 0.00 80 Q 7.40 4.16 0.00 1.44 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.81 0.00 0.00 0.00 0.00 0.00 2.03 1.88 0.00 81 W 6.98 3.92 0.00 1.81 1.74 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 82 I 7.02 3.32 1.69 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.06 0.90 0.00 0.00 83 H 7.91 3.90 0.00 3.14 3.19 0.00 5.86 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 N 7.77 4.28 0.00 2.56 2.74 0.00 0.00 7.11 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 85 W 7.88 4.24 0.00 2.88 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 0.00 0.00 0.00 0.00 86 K 7.75 3.23 0.00 1.63 1.71 0.00 1.63 0.00 0.00 1.70 0.00 0.00 3.39 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.23 1.24 7.81 87 K 7.43 4.03 0.00 1.71 1.80 0.00 1.62 0.00 0.00 1.65 0.00 0.00 2.98 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.36 1.40 7.81 88 R 7.43 4.52 0.00 1.80 1.90 0.00 3.25 0.00 0.00 3.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.77 0.00 89 G 8.42 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 90 W 8.32 3.45 0.00 3.48 3.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 K 7.29 5.00 0.00 1.92 1.68 0.00 1.71 0.00 0.00 1.75 0.00 0.00 3.03 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.43 1.50 7.81 92 T 8.21 4.26 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 1.16 0.00 0.00 93 A 8.47 3.97 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 94 D 8.02 4.59 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 95 K 7.99 3.89 0.00 1.93 1.96 0.00 1.70 0.00 0.00 1.69 0.00 0.00 2.98 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.35 1.53 7.81 96 K 7.73 4.43 0.00 1.93 1.66 0.00 1.66 0.00 0.00 1.79 0.00 0.00 2.91 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.38 1.37 7.81 97 P 0.00 4.74 0.00 1.86 1.94 0.00 3.63 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 1.99 2.10 0.00 98 V 8.25 3.56 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 0.00 0.00 -0.18 0.00 0.00 0.29 0.00 0.00 99 K 8.43 3.85 0.00 1.75 1.85 0.00 2.05 0.00 0.00 1.76 0.00 0.00 2.96 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.45 1.50 7.81 100 N 8.99 4.47 0.00 3.37 2.98 0.00 0.00 6.85 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 0.00 101 V 7.59 3.56 2.17 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 0.69 0.00 0.00 0.70 0.00 0.00 102 D 8.04 4.23 0.00 2.82 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 0.00 103 L 7.76 3.99 0.00 1.67 1.57 0.82 0.86 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 0.00 104 W 8.56 4.44 0.00 3.39 3.57 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 0.00 105 Q 7.99 3.57 0.00 1.79 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.81 0.00 0.00 0.00 0.00 0.00 1.16 1.40 0.00 106 R 7.77 3.83 0.00 1.94 2.00 0.00 3.05 0.00 0.00 3.03 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.60 0.00 107 L 8.34 3.93 0.00 1.79 2.00 1.02 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 108 D 8.78 4.60 0.00 3.29 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 0.00 109 A 8.19 4.04 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 0.00 110 A 7.95 4.11 1.37 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 0.00 0.00 111 L 8.67 4.16 0.00 1.98 1.89 1.37 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 112 G 7.97 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 0.00 113 Q 7.97 4.40 0.00 2.04 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.64 0.00 0.00 0.00 0.00 0.00 2.31 2.44 0.00 114 H 7.77 5.03 0.00 2.95 3.27 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 0.00 115 Q 8.74 4.24 0.00 2.01 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.77 0.00 0.00 0.00 0.00 0.00 2.36 2.32 0.00 116 I 8.30 4.64 1.81 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.82 0.27 0.00 0.00 117 K 8.52 4.51 0.00 1.67 1.52 0.00 1.52 0.00 0.00 1.59 0.00 0.00 2.76 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.16 1.29 7.81 118 W 8.61 4.64 0.00 2.69 1.74 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 0.00 119 E 8.89 4.20 0.00 1.78 1.61 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 2.16 2.20 0.00 120 W 8.54 5.10 0.00 3.25 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 0.00 121 V 8.49 4.24 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 0.81 0.00 0.00 1.10 0.00 0.00 122 K 8.58 4.70 0.00 1.82 1.83 0.00 1.79 0.00 0.00 1.89 0.00 0.00 2.93 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.58 1.45 7.81 123 G 8.76 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 H 8.31 4.57 0.00 3.31 3.46 0.00 5.47 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 0.00 125 A 7.25 4.62 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 126 G 7.89 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 0.00 0.00 0.00 127 H 8.54 4.62 0.00 3.30 3.28 0.00 5.66 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 0.00 128 P 0.00 4.23 0.00 2.05 2.06 0.00 3.55 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 2.07 2.15 0.00 129 E 7.71 3.72 0.00 1.16 1.12 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 1.47 2.01 0.00 130 N 7.91 4.46 0.00 2.87 2.96 0.00 0.00 7.14 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 0.00 131 E 8.19 3.98 0.00 2.15 2.00 0.00 0.00 0.00 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 2.59 0.00 132 R 7.93 3.94 0.00 1.88 2.03 0.00 3.08 0.00 0.00 3.14 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.66 0.00 133 C 8.11 4.19 0.00 3.31 3.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 134 D 8.11 4.56 0.00 3.02 2.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 135 E 8.02 3.97 0.00 2.28 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.47 0.00 136 L 8.18 3.96 0.00 1.88 1.73 0.97 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 137 A 8.29 3.95 1.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 138 R 7.90 3.90 0.00 1.83 2.01 0.00 3.18 0.00 0.00 3.25 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.82 0.00 139 A 8.17 4.11 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 0.00 140 A 8.44 3.86 1.28 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 0.00 0.00 141 A 7.97 4.09 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 0.00 0.00 0.00 0.00 0.00 0.00 142 M 7.57 4.25 0.00 1.94 2.33 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 2.63 2.83 0.00 143 N 7.73 4.96 0.00 2.60 2.63 0.00 0.00 7.21 6.99 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 0.00 144 P 0.00 4.49 0.00 2.19 2.13 0.00 3.74 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 1.96 1.94 0.00 145 T 8.36 4.53 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 1.20 0.00 0.00 146 L 7.31 4.65 0.00 0.76 1.26 0.66 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 147 E 8.44 4.82 0.00 1.94 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.50 0.00 148 D 8.63 4.74 0.00 2.73 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 0.00 149 T 8.26 4.05 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 1.25 0.00 0.00 150 G 7.56 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 0.00 151 Y 7.55 4.24 0.00 3.10 3.05 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 0.00 152 Q 7.24 4.19 0.00 1.76 1.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.90 0.00 0.00 0.00 0.00 0.00 2.11 2.13 0.00 153 V 8.03 3.64 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 0.81 0.00 0.00 1.01 0.00 0.00 154 E 7.81 4.56 0.00 1.85 1.72 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 2.13 2.29 0.00 155 V 8.35 3.91 2.03 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 0.71 0.00 0.00 0.88 0.00 0.00