NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3818 8.3044 118.1993 54.8532 32.2111 176.7556 2 V 3.8873 8.5091 121.7206 60.3429 31.6910 172.2566 3 Y 4.1770 8.5574 127.8598 56.8800 40.6316 172.9687 4 Q 4.7783 7.7646 127.9517 54.5607 29.9943 175.6617 5 V 4.2476 8.5885 120.6022 61.9281 31.9086 176.3370 6 K 4.3605 8.6027 121.1613 57.0967 33.9688 176.2672 7 D 4.4723 7.3401 117.0276 51.5221 42.7928 176.1976 8 K 4.0385 8.3956 119.1596 59.3595 32.0386 178.3345 9 A 4.0805 8.5735 121.7511 54.8251 18.2765 179.0829 10 D 4.2856 8.1500 115.5436 57.2830 41.3267 178.1000 11 L 3.9474 8.0349 120.8371 58.3311 42.2256 178.5989 12 D 4.4851 8.2220 118.8117 57.5605 40.4013 179.2515 13 G 3.6945 8.5905 105.9861 46.9900 0.0000 175.4186 14 Q 3.9798 8.1562 122.2684 58.8837 28.9635 177.8153 15 L 4.0541 8.2221 119.8272 57.7313 41.8734 179.3040 16 T 4.0213 7.8191 109.5959 64.8650 68.5150 176.8678 17 K 4.0343 7.5039 119.0620 58.8548 32.3234 178.9272 18 A 3.9865 8.1628 120.8314 51.2031 18.1486 181.4078 19 S 3.5756 8.1883 110.1994 59.5994 62.9323 172.8994 20 G 4.3591 5.5376 102.3175 45.0845 0.0000 173.9503 21 K 4.3887 8.0674 119.8043 55.2445 33.4686 176.5487 22 L 4.3317 8.3485 124.2431 55.2133 43.3447 175.6389 23 V 4.7946 9.2490 126.2812 61.1010 34.2291 174.1582 24 V 4.2635 8.6686 128.3458 61.1836 33.3876 174.1281 25 L 4.5324 8.8398 129.5183 53.4486 43.4020 175.3538 26 D 4.6916 8.6998 125.1516 52.4035 42.7649 174.6145 27 F 4.7892 8.6690 126.3798 56.7252 40.2528 175.1703 28 F 5.2852 8.8064 118.1473 55.6553 42.1984 172.9049 29 A 4.2075 7.8939 118.3451 50.2848 21.5646 177.8262 30 T 3.9104 8.3397 111.1954 63.7920 69.0599 175.1818 31 W 4.5150 7.0986 116.9691 56.6338 29.1458 176.8806 32 C 4.6938 7.4536 121.1143 55.2137 44.3370 173.6890 33 G 3.6894 8.7119 115.6386 47.7831 0.0000 172.6771 34 P 4.3008 0.0000 0.0000 65.1988 30.8553 179.4814 35 C 4.3320 8.0769 115.0624 59.9831 39.9918 176.0845 36 K 3.8569 7.6876 118.7652 59.4845 31.6803 178.8779 37 M 4.1688 8.0827 118.1314 58.1307 32.4795 177.3888 38 I 4.0816 7.7991 117.4637 61.9793 38.3549 177.1608 39 S 3.9966 7.5824 114.0692 61.6428 62.0656 174.2603 40 P 4.2413 0.0000 0.0000 65.5475 30.9491 178.4753 41 K 3.9503 7.9876 117.8550 59.4600 32.1158 178.6873 42 L 3.9623 7.9197 119.3203 57.6381 41.5669 179.6657 43 V 3.5317 7.8572 118.1226 65.9895 31.4876 177.4802 44 E 3.9181 8.2775 119.0740 59.5554 29.4244 178.9260 45 L 4.2135 8.3156 119.3306 57.7918 41.4860 179.5840 46 S 4.3461 8.2736 113.7286 61.6537 62.8746 176.5156 47 T 4.0820 7.6744 118.4357 66.3641 68.4436 176.3888 48 Q 3.9513 8.0949 120.3463 58.1031 29.4181 177.0370 49 F 4.8330 8.5877 118.7622 56.8340 39.7602 175.6642 50 A 4.3999 7.7703 122.2358 53.2600 19.0335 176.4960 51 D 5.1886 9.1933 118.8788 53.8706 39.1028 175.6204 52 N 5.1188 7.9905 112.2076 52.6628 41.2905 174.5061 53 V 4.8623 8.1299 117.7732 61.0228 35.3403 174.5849 54 V 4.3674 8.9296 126.1743 61.1633 33.8612 174.1280 55 V 4.6440 8.3922 128.0365 61.3943 33.5786 174.2070 56 L 5.2272 8.7679 127.5649 52.9371 45.0171 175.8737 57 K 4.6695 9.1012 124.0143 55.5925 34.2938 176.3806 58 V 4.3218 8.6876 123.3266 60.9065 34.5463 174.1077 59 D 3.7869 8.4657 129.2077 53.6123 41.1735 177.0692 60 V 3.8504 8.3488 121.3188 64.5743 32.0789 178.8669 61 D 4.5037 8.2297 119.9776 56.7816 40.9405 177.3134 62 E 4.2530 8.1850 117.1225 57.6847 30.8816 176.4012 63 C 4.9418 8.3347 116.2672 58.1179 28.5223 174.9914 64 E 4.2038 8.0347 122.4965 58.9081 29.2962 179.1410 65 D 4.3692 8.0709 118.2878 57.5997 40.9835 178.7264 66 I 3.9107 7.8448 119.4782 64.3090 37.2203 178.1121 67 A 3.8806 8.2255 121.7191 55.4146 18.2205 179.4307 68 M 3.9469 8.3364 116.8008 58.6805 32.1256 177.8618 69 E 3.9190 8.2527 118.7096 59.3626 29.8250 177.5456 70 Y 4.1900 8.0448 113.5349 56.5619 38.6347 175.0932 71 N 4.1287 7.9218 116.1798 54.2188 36.8421 174.8508 72 I 3.9247 7.4847 117.6261 61.2869 38.0108 176.9178 73 S 4.6271 8.3602 114.8390 57.6315 65.7534 173.7514 74 S 4.8533 7.9329 114.4862 56.4713 64.8614 172.5736 75 M 4.6918 8.3443 124.2614 52.8295 35.0487 173.6705 76 P 4.7309 0.0000 0.0000 62.4771 33.8671 174.7914 77 T 4.7871 8.0462 116.3495 61.7259 72.2175 172.9162 78 F 4.9935 8.8337 124.8896 55.5886 41.5702 174.5412 79 V 4.7117 8.5032 124.1611 61.0372 34.0750 174.0753 80 F 5.2498 9.3305 126.6283 55.8357 41.2503 174.6499 81 L 5.4501 9.0451 123.5764 53.0757 46.0818 176.0903 82 K 4.4797 9.0999 122.7652 55.7230 35.8389 175.7361 83 N 4.0559 9.6641 127.1642 54.6133 35.8972 175.7471 84 G 3.8894 8.3454 102.2518 45.8803 0.0000 173.3703 85 V 4.2559 7.4605 120.2266 60.3106 33.0423 174.7230 86 K 4.6047 8.6262 128.8910 56.4155 32.5266 176.3388 87 V 3.9065 9.2512 128.0416 65.6485 32.1456 175.0971 88 E 4.8437 8.0788 118.4969 56.0875 33.1508 173.0869 89 E 5.6058 8.8462 120.5948 55.5478 32.5203 173.8845 90 F 5.2169 9.0390 119.7886 56.1013 41.7355 172.5479 91 A 5.1890 8.9337 120.9453 51.0733 21.7385 176.1438 92 G 4.1974 8.9408 108.1532 44.9354 0.0000 175.1576 93 A 4.5055 8.4608 125.9258 50.6713 17.1535 176.0705 94 N 4.8426 8.2039 117.6073 50.6334 40.3630 173.4684 95 A 4.0184 8.4256 129.7619 55.0643 18.5689 179.1203 96 K 3.9223 8.0245 116.3288 59.6194 32.2248 179.4315 97 R 3.7356 8.2753 118.9904 59.0374 29.9221 178.3427 98 L 4.1448 8.0225 120.1917 58.2644 42.0842 178.5800 99 E 3.9099 8.1932 119.2052 59.2498 29.5465 178.2451 100 D 4.2969 8.3530 119.3523 57.4724 40.8437 179.0616 101 V 3.3273 7.6988 118.3544 65.9637 31.1962 178.0647 102 I 3.5258 7.3256 118.8496 64.4094 36.7095 178.6939 103 K 3.8318 7.8656 117.8192 59.0278 31.9093 178.7184 104 A 4.3064 7.7572 119.5183 53.1885 18.6826 177.6289 105 N 4.8853 7.3243 112.6584 52.7341 39.7712 174.4380 106 I 3.8220 7.4134 124.5922 61.3185 37.9630 175.5619 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 4.38 0.00 2.15 2.00 0.00 0.00 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.53 0.00 2 V 8.51 3.89 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 0.64 0.00 0.00 0.90 0.00 0.00 3 Y 8.56 4.18 0.00 2.98 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 4 Q 7.76 4.78 0.00 1.97 1.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.74 6.79 0.00 0.00 0.00 0.00 0.00 2.22 2.56 0.00 5 V 8.59 4.25 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 0.00 0.00 0.95 0.00 0.00 6 K 8.60 4.36 0.00 1.77 1.83 0.00 1.79 0.00 0.00 1.76 0.00 0.00 3.04 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.31 1.28 7.81 7 D 7.34 4.47 0.00 2.82 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 8 K 8.40 4.04 0.00 1.90 1.89 0.00 1.76 0.00 0.00 1.88 0.00 0.00 3.06 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.55 1.59 7.81 9 A 8.57 4.08 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 10 D 8.15 4.29 0.00 3.14 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 11 L 8.03 3.95 0.00 1.83 1.89 0.88 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 12 D 8.22 4.49 0.00 2.99 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 G 8.59 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 14 Q 8.16 3.98 0.00 2.36 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.75 0.00 0.00 0.00 0.00 0.00 2.20 2.29 0.00 15 L 8.22 4.05 0.00 1.75 1.74 1.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 16 T 7.82 4.02 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 1.24 0.00 0.00 17 K 7.50 4.03 0.00 1.72 1.86 0.00 1.66 0.00 0.00 1.64 0.00 0.00 2.87 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.43 1.66 7.81 18 A 8.16 3.99 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 19 S 8.19 3.58 0.00 4.05 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 20 G 5.54 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 21 K 8.07 4.39 0.00 1.76 1.90 0.00 1.73 0.00 0.00 1.88 0.00 0.00 2.91 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.49 1.39 7.81 22 L 8.35 4.33 0.00 1.77 1.55 1.04 1.43 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 23 V 9.25 4.79 2.18 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 0.92 0.00 0.00 0.93 0.00 0.00 24 V 8.67 4.26 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 0.74 0.00 0.00 0.95 0.00 0.00 25 L 8.84 4.53 0.00 1.34 0.90 0.50 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 26 D 8.70 4.69 0.00 2.78 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 27 F 8.67 4.79 0.00 2.95 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 28 F 8.81 5.29 0.00 2.98 3.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 A 7.89 4.21 -0.16 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 0.00 0.00 30 T 8.34 3.91 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 1.27 0.00 0.00 31 W 7.10 4.51 0.00 3.55 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 32 C 7.45 4.69 0.00 2.24 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 33 G 8.71 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 34 P 0.00 4.30 0.00 2.20 2.18 0.00 3.64 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.23 0.00 35 C 8.08 4.33 0.00 3.12 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 36 K 7.69 3.86 0.00 1.91 1.87 0.00 1.72 0.00 0.00 1.76 0.00 0.00 3.13 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.46 1.61 7.81 37 M 8.08 4.17 0.00 2.16 2.12 0.00 0.00 0.00 0.00 0.00 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.71 0.00 38 I 7.80 4.08 2.01 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.19 1.18 0.00 0.00 39 S 7.58 4.00 0.00 3.95 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 P 0.00 4.24 0.00 2.19 2.09 0.00 3.76 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.14 0.00 41 K 7.99 3.95 0.00 1.88 2.01 0.00 1.73 0.00 0.00 1.83 0.00 0.00 3.26 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.51 1.59 7.81 42 L 7.92 3.96 0.00 1.93 1.69 1.03 0.84 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 43 V 7.86 3.53 2.23 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 0.98 0.00 0.00 0.93 0.00 0.00 44 E 8.28 3.92 0.00 2.07 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 0.00 2.34 2.37 0.00 45 L 8.32 4.21 0.00 1.91 1.85 0.92 1.37 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 46 S 8.27 4.35 0.00 4.03 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 47 T 7.67 4.08 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 1.19 0.00 0.00 48 Q 8.09 3.95 0.00 1.97 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 7.44 0.00 0.00 0.00 0.00 0.00 1.16 1.91 0.00 49 F 8.59 4.83 0.00 3.26 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 50 A 7.77 4.40 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 51 D 9.19 5.19 0.00 2.83 3.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 N 7.99 5.12 0.00 2.78 2.86 0.00 0.00 6.52 7.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 V 8.13 4.86 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 0.81 0.00 0.00 0.89 0.00 0.00 54 V 8.93 4.37 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 0.94 0.00 0.00 0.92 0.00 0.00 55 V 8.39 4.64 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 0.91 0.00 0.00 0.94 0.00 0.00 56 L 8.77 5.23 0.00 1.52 1.44 0.92 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 57 K 9.10 4.67 0.00 1.59 1.83 0.00 1.27 0.00 0.00 0.86 0.00 0.00 2.13 0.00 0.00 2.46 0.00 0.00 0.00 0.00 1.14 1.14 7.81 58 V 8.69 4.32 1.19 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 0.87 0.00 0.00 0.42 0.00 0.00 59 D 8.47 3.79 0.00 2.45 2.33 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 60 V 8.35 3.85 2.10 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 0.86 0.00 0.00 0.87 0.00 0.00 61 D 8.23 4.50 0.00 2.85 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 62 E 8.19 4.25 0.00 1.88 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 2.25 2.26 0.00 63 C 8.33 4.94 0.00 2.98 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 64 E 8.03 4.20 0.00 2.02 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 2.51 2.48 0.00 65 D 8.07 4.37 0.00 2.76 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 66 I 7.84 3.91 2.04 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.66 1.19 0.00 0.00 67 A 8.23 3.88 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 68 M 8.34 3.95 0.00 2.22 2.17 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 2.53 0.00 69 E 8.25 3.92 0.00 2.06 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 1.87 2.20 0.00 70 Y 8.04 4.19 0.00 2.54 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 71 N 7.92 4.13 0.00 2.80 2.82 0.00 0.00 6.93 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 I 7.48 3.92 1.62 0.00 0.00 0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 -0.36 0.76 0.00 0.00 73 S 8.36 4.63 0.00 3.91 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 S 7.93 4.85 0.00 3.83 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 M 8.34 4.69 0.00 1.82 1.84 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.46 0.00 76 P 0.00 4.73 0.00 1.45 2.00 0.00 3.67 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.05 0.00 77 T 8.05 4.79 4.14 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 1.20 0.00 0.00 78 F 8.83 4.99 0.00 2.24 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 0.00 0.00 0.00 0.00 79 V 8.50 4.71 2.10 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 1.18 0.00 0.00 1.11 0.00 0.00 80 F 9.33 5.25 0.00 3.18 2.99 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 81 L 9.05 5.45 0.00 1.59 1.58 1.05 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 82 K 9.10 4.48 0.00 1.84 1.65 0.00 1.81 0.00 0.00 1.67 0.00 0.00 2.87 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.36 1.60 7.81 83 N 9.66 4.06 0.00 2.96 2.86 0.00 0.00 7.01 7.64 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 84 G 8.35 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 V 7.46 4.26 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 0.98 0.00 0.00 1.01 0.00 0.00 86 K 8.63 4.60 0.00 1.85 1.78 0.00 1.98 0.00 0.00 1.78 0.00 0.00 3.03 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.53 1.73 7.81 87 V 9.25 3.91 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 0.76 0.00 0.00 1.00 0.00 0.00 88 E 8.08 4.84 0.00 2.02 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 2.38 2.33 0.00 89 E 8.85 5.61 0.00 2.14 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.53 0.00 90 F 9.04 5.22 0.00 3.14 3.20 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 91 A 8.93 5.19 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 92 G 8.94 4.20 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 0.00 93 A 8.46 4.51 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 94 N 8.20 4.84 0.00 2.79 2.73 0.00 0.00 6.93 7.97 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 95 A 8.43 4.02 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 96 K 8.02 3.92 0.00 1.78 1.84 0.00 1.66 0.00 0.00 1.73 0.00 0.00 2.90 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.52 1.49 7.81 97 R 8.28 3.74 0.00 1.72 1.71 0.00 2.55 0.00 0.00 2.25 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 1.23 0.00 98 L 8.02 4.14 0.00 1.96 1.83 0.31 0.28 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 99 E 8.19 3.91 0.00 2.12 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 2.37 2.49 0.00 100 D 8.35 4.30 0.00 2.84 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 0.00 101 V 7.70 3.33 1.73 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 -0.28 0.00 0.00 0.85 0.00 0.00 102 I 7.33 3.53 1.65 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 1.54 0.71 0.06 0.00 0.00 103 K 7.87 3.83 0.00 1.73 1.87 0.00 1.75 0.00 0.00 1.78 0.00 0.00 3.27 0.00 0.00 3.40 0.00 0.00 0.00 0.00 1.65 1.57 7.81 104 A 7.76 4.31 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 0.00 105 N 7.32 4.89 0.00 2.63 2.75 0.00 0.00 6.92 8.80 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 0.00 106 I 7.41 3.82 1.94 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.67 0.98 0.00 0.00