NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 29 M 4.2626 8.1627 120.5864 55.3471 34.0514 173.4277 30 E 4.8586 8.6252 125.9006 54.2895 31.1026 173.2991 31 L 4.7929 10.0862 128.5901 53.3328 45.5700 175.0853 32 T 4.8062 8.2248 119.2188 62.1572 70.4358 175.2091 33 L 4.8080 9.1599 128.2037 53.6675 43.0627 177.3251 34 Y 4.2116 8.8641 117.1899 59.8726 37.6178 176.8771 35 N 4.3751 7.2123 115.4597 52.0378 37.4152 175.9837 36 G 3.8965 8.0317 107.7987 45.7531 0.0000 174.1741 37 E 4.0634 8.0515 121.8724 56.2177 30.6502 175.7588 38 K 5.1423 8.4341 125.2027 55.1447 34.5727 175.6170 39 K 4.4924 8.8769 123.0705 55.4922 36.1258 174.5782 40 T 4.9560 8.1033 122.8009 62.3456 69.7684 174.0940 41 F 4.9197 9.3029 124.4257 55.8767 42.5874 174.2231 42 Y 5.1608 9.1092 118.7709 56.0143 40.7317 176.2051 43 S 4.6140 8.8819 118.4992 58.9846 63.8190 173.8733 44 R 4.7540 8.6503 122.3286 53.6883 32.8216 173.9254 45 P 4.7196 0.0000 0.0000 62.0222 32.8053 175.8838 46 N 4.9618 8.6126 119.2394 51.6809 38.6869 173.3644 47 N 4.8799 8.3710 116.3401 52.8610 40.1561 174.5203 48 H 4.8759 7.5441 114.9512 56.9255 30.2127 172.6254 49 D 4.4934 8.0413 114.2968 55.9699 39.8292 173.0891 50 N 4.5830 8.6272 110.8177 52.2421 38.3653 176.9849 51 A 4.4332 8.5149 125.1057 55.2473 18.4147 179.8899 52 W 4.1486 8.2246 114.8174 59.8035 28.0386 178.2336 53 L 3.1589 5.8222 120.6779 57.3246 41.2999 178.4025 54 N 4.1317 7.9792 116.5226 56.1802 38.4183 177.1345 55 A 4.0456 8.0610 122.1849 55.2202 18.3892 179.8175 56 I 3.3974 7.3661 117.6964 64.3395 37.0852 178.5801 57 L 3.8708 7.8943 120.1386 57.9538 41.3919 179.6826 58 Q 3.8199 8.2380 118.1729 58.6919 28.5731 178.5865 59 L 3.8307 7.8017 121.3413 58.2176 42.0975 179.0991 60 F 4.5354 8.5752 118.2190 60.4732 38.7938 177.6116 61 R 3.5551 7.9337 118.5406 59.4733 29.5949 177.7818 62 Y 4.1904 8.0871 118.2511 60.5598 38.8384 177.7405 63 V 4.2455 7.8286 109.8139 60.0080 32.2493 175.5891 64 E 3.6681 7.8579 116.9560 57.1583 27.4201 174.5494 65 E 4.0908 8.3809 120.0522 55.0228 30.1874 174.3916 66 P 5.1655 0.0000 0.0000 63.0320 32.3340 177.5944 67 F 3.9142 8.1905 122.1457 61.2442 39.2096 176.2450 68 F 4.7968 8.1955 116.5786 57.2620 39.7178 176.8813 69 D 4.5404 8.4280 124.8416 57.5555 40.3293 178.8544 70 W 4.3955 8.4039 115.3241 58.9441 28.1436 177.7474 71 V 3.5871 7.2423 119.3986 65.0674 31.0952 177.2348 72 Y 3.9917 7.9314 117.8718 60.1145 38.8353 176.4054 73 S 4.6718 8.4273 113.5145 58.0358 63.3190 174.0041 74 S 4.3758 7.4316 115.7871 57.3932 62.5732 172.6708 75 P 4.3200 0.0000 0.0000 63.9360 31.4613 176.0434 76 E 4.5040 7.9236 117.7762 54.2488 31.6704 175.6199 77 N 4.5250 8.4112 119.3546 53.2652 38.1151 174.6237 78 L 4.6576 7.9972 126.6658 54.8343 42.8311 178.7303 79 T 3.6032 7.7959 117.6515 66.9398 68.3302 175.8778 80 L 3.9224 7.6993 119.9835 57.9620 41.7304 179.3938 81 E 4.1145 8.2483 117.6885 59.1182 29.3397 179.2059 82 A 4.2266 7.9432 121.1824 55.1087 18.3756 179.6335 83 I 3.7884 7.9183 118.5657 64.4432 37.1506 178.4106 84 K 3.9716 8.4517 120.7345 59.7826 31.9708 178.4650 85 Q 4.1079 8.3829 119.6644 59.3559 29.0225 178.3094 86 L 4.2682 8.6861 120.4224 57.8400 41.6260 179.2881 87 E 4.0806 9.1226 119.0513 59.5719 29.1884 179.1347 88 D 4.4106 8.2683 118.0956 57.4319 40.9870 178.5741 89 L 4.3048 8.2377 118.7251 56.6578 41.7984 177.7635 90 T 4.4400 7.9680 106.1905 60.2521 70.1404 175.1852 91 G 3.9131 8.4638 110.0545 45.7993 0.0000 173.6442 92 L 4.3526 7.4067 119.1058 53.4043 42.9243 175.8387 93 E 4.5259 8.4440 121.4836 55.3877 29.7434 175.6998 94 L 4.8453 9.7578 127.6110 54.0467 42.4688 177.3169 95 H 4.7215 8.4213 116.5753 56.5216 29.5594 175.4673 96 E 4.6769 8.2709 118.7273 55.6866 29.7916 175.6266 97 G 4.0124 9.5904 104.2691 45.2291 0.0000 172.4101 98 G 2.6577 6.9229 105.2335 42.5476 0.0000 172.3287 99 P 4.5251 0.0000 0.0000 60.5706 31.9792 174.5110 100 P 4.3864 0.0000 0.0000 66.0378 31.0666 178.1298 101 A 4.0112 7.9420 119.9849 54.9315 18.3925 179.5030 102 L 4.0229 7.8566 117.0739 57.6534 41.5152 179.7564 103 V 3.6486 7.9280 117.8421 66.1399 31.9912 177.8282 104 I 3.9784 8.0567 119.6169 64.1583 36.4898 178.0712 105 W 4.2409 8.6345 129.4848 60.8337 30.3362 177.7836 106 N 4.5355 8.8354 115.4495 55.0002 38.2166 175.7975 107 I 4.2677 7.2802 112.1605 59.9055 38.2783 177.2969 108 K 3.8303 7.4923 122.2467 60.2657 32.1243 178.0076 109 H 4.4001 7.9089 112.3808 56.3690 28.8460 175.4088 110 L 4.3260 7.5306 119.6323 54.5498 42.2131 176.2661 111 L 4.3909 6.8745 118.5935 53.9358 43.0803 175.9471 112 H 4.7807 8.7886 116.3059 55.7411 28.8744 174.9169 113 T 4.5362 7.3754 116.2417 61.1771 70.8989 174.0670 114 G 3.9794 8.4709 113.3218 45.8493 0.0000 172.0750 115 I 4.9815 8.3410 125.8692 59.7560 39.4764 175.1997 116 G 4.3687 9.2385 115.4873 45.3953 0.0000 170.7908 117 T 5.1672 8.3995 109.6347 59.3701 72.1236 175.2807 118 A 4.3548 8.4772 124.4757 55.4951 18.4560 179.3824 119 S 4.4636 8.1900 110.6396 60.2958 63.7245 174.7348 120 R 4.5701 7.9403 120.1617 53.1240 29.5392 172.0352 121 P 4.7420 0.0000 0.0000 62.5138 33.0483 175.0310 122 S 4.4337 8.0839 113.4985 57.9485 65.1422 173.9033 123 E 4.0312 9.1294 120.5118 58.9296 29.8155 177.7787 124 V 4.6256 8.3485 118.8916 61.1402 34.8102 174.2145 125 C 5.0712 8.5264 123.7660 57.9619 32.2236 173.6167 126 V 4.5158 8.4921 116.0122 59.9159 33.4826 176.2754 127 V 4.3432 8.0343 116.8940 61.2736 32.3575 176.1013 128 D 4.5930 8.5029 119.9318 53.4656 40.1083 176.2148 129 G 4.0219 8.5604 109.8855 46.2949 0.0000 175.0150 130 T 3.9443 7.5699 116.3646 63.6574 68.9081 173.6924 131 D 4.5286 8.5864 125.9053 54.3863 41.5988 175.7531 132 M 4.7837 8.3736 122.8629 53.5661 34.8199 175.1272 133 S 4.6333 8.5838 114.8443 56.0271 65.5309 175.2570 134 L 3.1551 8.0252 124.6071 56.8935 41.4804 179.1991 135 A 4.0888 7.5776 120.7380 54.3858 18.7402 178.1113 136 D 4.6365 8.1510 115.7448 55.6736 41.2475 175.7922 137 F 5.0065 7.0007 112.9717 56.3171 40.8194 173.5841 138 H 4.5704 7.9441 114.8400 54.9907 29.1480 173.3181 139 A 4.6856 7.1463 120.1225 51.6710 22.3400 175.3445 140 G 3.7512 7.9240 105.8114 46.0890 0.0000 172.0793 141 I 5.0229 7.7466 120.9347 59.5842 39.2643 175.4876 142 F 5.2631 9.4642 124.9301 55.5551 43.4185 173.6129 143 L 4.8611 8.7910 124.2361 54.0127 42.9136 175.6695 144 K 4.3488 9.8239 128.3907 55.9262 35.3015 176.6025 145 G 3.9264 9.2833 107.2875 47.4740 0.0000 176.3801 146 Q 3.8992 7.9391 132.3414 57.2852 26.2422 175.5369 147 E 4.3325 8.6273 120.2659 57.9583 28.8800 176.8839 148 H 4.8477 7.9192 118.0338 54.1969 32.5978 172.6824 149 A 4.5122 8.5091 127.8243 51.9683 19.4010 176.5198 150 V 4.5287 9.0137 113.7440 59.9802 37.0238 173.7805 151 F 5.4293 8.7124 123.4708 57.0562 41.8175 174.3230 152 A 5.1797 7.7537 124.8428 51.0961 23.0642 174.7670 153 C 4.4020 8.7647 113.7274 56.5374 33.6888 173.3400 154 V 3.2202 7.2604 120.6794 62.8929 31.7940 175.0217 155 T 5.0654 8.3714 116.7648 59.6338 72.3826 174.7971 156 S 4.2172 8.9035 115.7718 60.3755 62.9224 174.4799 157 N 4.8711 8.6021 119.9841 53.0741 39.2268 174.5131 158 G 4.0348 8.2573 104.1686 43.3205 0.0000 172.9871 159 W 4.6518 8.7277 118.0787 57.0843 30.0385 175.4493 160 Y 5.1264 9.3202 121.6070 56.1800 41.6828 174.4990 161 A 5.1030 8.9713 124.3320 50.5636 22.1956 176.3309 162 I 3.7119 8.7138 121.6706 59.5887 39.6023 174.5370 163 D 4.3899 8.9387 128.9443 54.0661 42.9845 178.6605 164 D 4.3031 8.9623 128.7928 55.5405 40.1510 175.4239 165 E 4.5135 9.2714 130.1654 57.3225 31.2424 175.2161 166 D 5.2432 8.3640 119.9607 52.4146 43.3741 174.8332 167 F 5.4342 8.9454 120.4520 55.9750 41.6529 174.2607 168 Y 5.0880 8.2958 119.8639 54.9798 41.6229 172.4107 169 P 3.5226 0.0000 0.0000 62.4396 32.1811 175.9485 170 W 4.6846 8.8736 131.7027 57.1013 34.2118 173.5617 171 T 4.0034 8.1309 124.8757 61.5518 68.6710 173.4506 172 P 2.9700 0.0000 0.0000 61.2020 31.9841 175.4848 173 D 4.4061 7.6505 119.7393 51.9572 41.1398 175.3408 174 P 4.5393 0.0000 0.0000 65.0061 31.3084 177.8632 175 S 4.3851 8.5572 113.1528 59.7563 63.5093 174.3627 176 D 4.9591 8.4413 121.3327 53.9469 41.1840 176.3982 177 V 3.8148 7.4930 119.5685 61.5953 32.2272 175.7594 178 L 4.6596 8.8505 120.9156 55.3712 44.8906 176.6591 179 V 4.8416 7.2352 116.8950 61.3415 35.3258 173.8767 180 F 4.9461 8.5693 120.4591 55.8129 41.9140 173.3527 181 V 4.7190 8.8244 120.8964 60.3204 32.4490 173.1768 182 P 5.5163 0.0000 0.0000 62.3212 32.2932 175.7189 183 Y 4.5158 8.6360 118.7763 57.9496 39.3306 175.6880 184 D 4.6599 8.7312 119.1758 54.7562 41.6200 176.3594 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 29 M 8.16 4.26 0.00 1.19 0.94 0.00 0.00 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.29 0.00 30 E 8.63 4.86 0.00 2.07 1.80 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 2.21 2.39 0.00 31 L 10.09 4.79 0.00 1.83 1.58 0.73 0.45 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 32 T 8.22 4.81 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 1.19 0.00 0.00 33 L 9.16 4.81 0.00 1.68 1.77 0.76 1.16 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 34 Y 8.86 4.21 0.00 3.22 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 35 N 7.21 4.38 0.00 2.45 1.80 0.00 0.00 6.11 7.00 0.00 0.00 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 G 8.03 3.90 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 0.00 0.00 0.00 37 E 8.05 4.06 0.00 1.99 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 2.22 2.21 0.00 38 K 8.43 5.14 0.00 1.64 1.68 0.00 1.78 0.00 0.00 1.84 0.00 0.00 2.83 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.34 1.38 7.81 39 K 8.88 4.49 0.00 1.66 1.57 0.00 1.26 0.00 0.00 1.30 0.00 0.00 2.72 0.00 0.00 2.80 0.00 0.00 0.00 0.00 0.52 1.08 7.81 40 T 8.10 4.96 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 0.92 0.00 0.00 41 F 9.30 4.92 0.00 3.21 3.26 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 42 Y 9.11 5.16 0.00 2.52 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 43 S 8.88 4.61 0.00 3.88 3.90 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 44 R 8.65 4.75 0.00 1.59 1.84 0.00 3.17 0.00 0.00 3.14 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.70 0.00 45 P 0.00 4.72 0.00 2.05 2.02 0.00 3.24 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 1.98 1.76 0.00 46 N 8.61 4.96 0.00 2.72 2.73 0.00 0.00 6.88 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 47 N 8.37 4.88 0.00 2.54 2.64 0.00 0.00 6.97 8.16 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 48 H 7.54 4.88 0.00 3.05 3.29 0.00 6.04 0.00 0.00 0.00 0.00 8.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 D 8.04 4.49 0.00 2.91 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 50 N 8.63 4.58 0.00 2.43 2.97 0.00 0.00 6.93 8.19 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 51 A 8.51 4.43 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 0.00 0.00 0.00 0.00 0.00 0.00 52 W 8.22 4.15 0.00 3.62 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 53 L 5.82 3.16 0.00 0.27 0.79 0.21 0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 54 N 7.98 4.13 0.00 2.78 2.77 0.00 0.00 6.92 8.28 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 55 A 8.06 4.05 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 56 I 7.37 3.40 1.76 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.80 0.13 0.00 0.00 57 L 7.89 3.87 0.00 1.81 1.85 0.74 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 58 Q 8.24 3.82 0.00 1.90 1.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.80 0.00 0.00 0.00 0.00 0.00 2.64 2.50 0.00 59 L 7.80 3.83 0.00 2.03 1.83 1.16 1.00 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 60 F 8.58 4.54 0.00 3.23 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 61 R 7.93 3.56 0.00 0.94 1.85 0.00 2.78 0.00 0.00 2.43 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.94 0.00 62 Y 8.09 4.19 0.00 3.14 3.26 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 63 V 7.83 4.25 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 1.14 0.00 0.00 1.09 0.00 0.00 64 E 7.86 3.67 0.00 2.08 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 2.16 2.12 0.00 65 E 8.38 4.09 0.00 1.55 1.67 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 1.47 1.56 0.00 66 P 0.00 5.17 0.00 2.31 2.29 0.00 3.91 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 2.16 1.94 0.00 67 F 8.19 3.91 0.00 2.91 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 68 F 8.20 4.80 0.00 3.28 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 69 D 8.43 4.54 0.00 2.83 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 70 W 8.40 4.40 0.00 3.60 3.22 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 0.00 71 V 7.24 3.59 1.66 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 0.60 0.00 0.00 -0.84 0.00 0.00 72 Y 7.93 3.99 0.00 2.92 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 73 S 8.43 4.67 0.00 4.06 3.93 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 0.00 0.00 0.00 74 S 7.43 4.38 0.00 4.03 3.93 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 0.00 0.00 0.00 75 P 0.00 4.32 0.00 2.05 2.03 0.00 3.69 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.04 0.00 76 E 7.92 4.50 0.00 1.93 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 2.25 2.21 0.00 77 N 8.41 4.53 0.00 2.64 2.75 0.00 0.00 6.96 7.78 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 78 L 8.00 4.66 0.00 1.57 1.72 1.24 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 79 T 7.80 3.60 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 1.08 0.00 0.00 80 L 7.70 3.92 0.00 1.67 1.74 0.96 0.96 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 81 E 8.25 4.11 0.00 2.41 2.31 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 2.50 2.47 0.00 82 A 7.94 4.23 0.87 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 0.00 0.00 83 I 7.92 3.79 2.00 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 1.58 0.83 0.84 0.00 0.00 84 K 8.45 3.97 0.00 1.98 2.08 0.00 1.71 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.53 1.55 7.81 85 Q 8.38 4.11 0.00 2.43 2.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.59 0.00 0.00 0.00 0.00 0.00 2.64 2.58 0.00 86 L 8.69 4.27 0.00 2.17 1.99 1.32 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 0.00 0.00 0.00 0.00 0.00 0.00 87 E 9.12 4.08 0.00 2.21 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.61 0.00 88 D 8.27 4.41 0.00 2.88 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 89 L 8.24 4.30 0.00 1.76 1.83 1.19 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 90 T 7.97 4.44 4.29 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 1.33 0.00 0.00 91 G 8.46 3.91 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 0.00 0.00 0.00 92 L 7.41 4.35 0.00 1.56 1.54 0.88 1.22 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 93 E 8.44 4.53 0.00 1.91 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 2.24 2.37 0.00 94 L 9.76 4.85 0.00 1.64 1.67 1.01 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 95 H 8.42 4.72 0.00 3.49 3.43 0.00 5.79 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 96 E 8.27 4.68 0.00 1.92 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 2.24 2.47 0.00 97 G 9.59 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 0.00 0.00 0.00 98 G 6.92 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 0.00 0.00 0.00 99 P 0.00 4.53 0.00 2.20 2.13 0.00 3.30 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.88 0.00 100 P 0.00 4.39 0.00 2.36 2.53 0.00 3.73 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 2.15 2.21 0.00 101 A 7.94 4.01 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 0.00 102 L 7.86 4.02 0.00 1.69 1.75 0.87 0.75 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 0.00 103 V 7.93 3.65 2.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.90 0.00 0.00 104 I 8.06 3.98 2.13 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.08 1.07 0.00 0.00 105 W 8.63 4.24 0.00 3.50 3.30 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 0.00 106 N 8.84 4.54 0.00 3.03 2.93 0.00 0.00 6.93 7.20 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 0.00 107 I 7.28 4.27 1.45 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 1.63 0.92 0.99 0.00 0.00 108 K 7.49 3.83 0.00 1.73 2.04 0.00 0.68 0.00 0.00 0.61 0.00 0.00 2.30 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.11 1.04 7.81 109 H 7.91 4.40 0.00 3.21 3.33 0.00 5.50 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 0.00 110 L 7.53 4.33 0.00 1.19 1.66 0.94 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 111 L 6.87 4.39 0.00 1.43 1.40 0.69 0.66 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 0.00 112 H 8.79 4.78 0.00 3.09 3.24 0.00 5.60 0.00 0.00 0.00 0.00 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 T 7.38 4.54 4.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 114 G 8.47 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 0.00 115 I 8.34 4.98 1.70 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 1.31 0.91 1.00 0.00 0.00 116 G 9.24 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 0.00 0.00 0.00 0.00 117 T 8.40 5.17 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 1.14 0.00 0.00 118 A 8.48 4.35 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 0.00 0.00 0.00 0.00 0.00 0.00 119 S 8.19 4.46 0.00 3.93 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 0.00 120 R 7.94 4.57 0.00 1.81 1.81 0.00 3.31 0.00 0.00 3.23 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.76 0.00 121 P 0.00 4.74 0.00 2.04 2.07 0.00 3.87 0.00 0.00 4.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.23 0.00 122 S 8.08 4.43 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 0.00 123 E 9.13 4.03 0.00 2.04 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 2.35 2.39 0.00 124 V 8.35 4.63 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.00 0.00 0.99 0.00 0.00 125 C 8.53 5.07 0.00 1.23 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 0.00 0.00 0.00 126 V 8.49 4.52 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 0.97 0.00 0.00 0.81 0.00 0.00 127 V 8.03 4.34 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 0.82 0.00 0.00 0.91 0.00 0.00 128 D 8.50 4.59 0.00 2.63 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 0.00 129 G 8.56 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 0.00 130 T 7.57 3.94 4.29 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 1.24 0.00 0.00 131 D 8.59 4.53 0.00 2.65 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 0.00 132 M 8.37 4.78 0.00 1.99 1.96 0.00 0.00 0.00 0.00 0.00 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.56 0.00 133 S 8.58 4.63 0.00 3.68 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 0.00 134 L 8.03 3.16 0.00 1.45 1.38 0.15 -0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 135 A 7.58 4.09 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 0.00 136 D 8.15 4.64 0.00 2.61 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 0.00 137 F 7.00 5.01 0.00 3.10 3.08 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 0.00 138 H 7.94 4.57 0.00 3.10 2.67 0.00 5.49 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 0.00 139 A 7.15 4.69 0.48 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 0.00 140 G 7.92 3.75 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 0.00 0.00 0.00 141 I 7.75 5.02 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 1.37 0.94 0.99 0.00 0.00 142 F 9.46 5.26 0.00 3.23 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 0.00 143 L 8.79 4.86 0.00 1.71 1.65 1.00 0.46 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 0.00 144 K 9.82 4.35 0.00 1.58 1.57 0.00 0.61 0.00 0.00 0.99 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.08 1.08 7.81 145 G 9.28 3.93 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 0.00 0.00 0.00 0.00 0.00 0.00 146 Q 7.94 3.90 0.00 2.26 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.81 7.63 0.00 0.00 0.00 0.00 0.00 2.23 2.31 0.00 147 E 8.63 4.33 0.00 1.99 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 2.30 2.30 0.00 148 H 7.92 4.85 0.00 3.27 3.36 0.00 5.77 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 0.00 149 A 8.51 4.51 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 0.00 150 V 9.01 4.53 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 0.63 0.00 0.00 0.86 0.00 0.00 151 F 8.71 5.43 0.00 3.20 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 0.00 152 A 7.75 5.18 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 153 C 8.76 4.40 0.00 2.92 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 0.00 154 V 7.26 3.22 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 0.77 0.00 0.00 0.11 0.00 0.00 155 T 8.37 5.07 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 156 S 8.90 4.22 0.00 4.02 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 0.00 157 N 8.60 4.87 0.00 2.69 2.95 0.00 0.00 7.39 8.79 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 0.00 158 G 8.26 4.03 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 0.00 0.00 0.00 159 W 8.73 4.65 0.00 3.19 3.22 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 0.00 160 Y 9.32 5.13 0.00 2.96 2.95 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 0.00 161 A 8.97 5.10 0.61 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 0.00 0.00 162 I 8.71 3.71 1.83 0.00 0.00 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.36 0.99 0.23 0.00 0.00 163 D 8.94 4.39 0.00 2.47 2.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 164 D 8.96 4.30 0.00 2.89 2.43 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 0.00 165 E 9.27 4.51 0.00 2.08 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 2.42 2.35 0.00 166 D 8.36 5.24 0.00 2.89 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 0.00 167 F 8.95 5.43 0.00 2.92 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 0.00 168 Y 8.30 5.09 0.00 3.07 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 0.00 169 P 0.00 3.52 0.00 1.83 1.61 0.00 3.76 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 1.97 1.70 0.00 170 W 8.87 4.68 0.00 3.32 3.07 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 0.00 171 T 8.13 4.00 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 0.76 0.00 0.00 172 P 0.00 2.97 0.00 0.49 0.49 0.00 2.20 0.00 0.00 2.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 0.86 0.00 173 D 7.65 4.41 0.00 2.58 2.55 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 0.00 0.00 0.00 0.00 174 P 0.00 4.54 0.00 2.44 2.21 0.00 3.59 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.80 0.00 175 S 8.56 4.39 0.00 3.99 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 0.00 176 D 8.44 4.96 0.00 2.91 2.93 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 0.00 0.00 0.00 177 V 7.49 3.81 1.81 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 0.58 0.00 0.00 -0.09 0.00 0.00 178 L 8.85 4.66 0.00 1.47 1.65 0.93 0.88 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 0.00 179 V 7.24 4.84 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 1.08 0.00 0.00 0.91 0.00 0.00 180 F 8.57 4.95 0.00 2.16 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 0.00 0.00 0.00 181 V 8.82 4.72 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 1.14 0.00 0.00 0.97 0.00 0.00 182 P 0.00 5.52 0.00 2.32 2.42 0.00 3.70 0.00 0.00 4.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 1.99 0.00 183 Y 8.64 4.52 0.00 2.96 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 0.00 184 D 8.73 4.66 0.00 2.75 2.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00