NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 P 4.4571 0.0000 0.0000 61.7821 32.6409 175.7310 3 K 3.0795 8.3602 120.4661 55.2195 32.3140 175.3547 4 T 4.2841 8.2208 117.3230 60.4807 70.8059 175.0638 5 Q 3.9064 8.4782 119.0904 58.7781 28.5154 177.3247 6 R 4.2614 7.9620 115.7641 55.7628 30.2401 176.4786 7 G 3.8425 8.2094 106.0438 46.1572 0.0000 173.5369 8 I 4.4940 7.4036 119.6844 59.3724 38.8274 174.7828 9 Y 4.7213 8.7517 122.8897 56.6771 38.2664 175.7456 10 H 4.2933 8.8509 122.8307 57.1477 29.4721 175.2226 11 N 4.8168 7.9999 118.1174 51.3217 39.0646 174.5185 12 L 4.0513 8.4564 127.1957 57.5346 42.0400 179.8144 13 K 3.2910 7.8568 118.5357 58.9260 32.0035 176.8477 14 E 4.3373 7.8336 115.5464 56.0812 29.9495 176.4449 15 S 2.7900 7.5171 114.8040 57.8319 62.7373 173.6929 16 E 3.9218 6.9888 123.0320 56.6026 30.2643 175.3269 17 Y 4.7020 7.4975 119.2996 57.0269 39.1515 175.0289 18 V 4.9825 8.1561 116.6222 59.5677 36.4963 174.2571 19 A 5.3644 8.8700 124.5265 50.5252 22.7200 175.0094 20 S 4.9112 9.1592 113.5381 56.6519 66.4185 174.0609 21 N 4.6184 7.8223 120.5664 51.5311 37.0282 175.6975 22 T 3.4461 7.8545 109.4029 61.6147 68.9804 171.7956 23 D 4.6762 7.8799 120.2478 54.8908 43.9791 176.1046 24 V 4.6306 8.4623 117.8805 61.0596 34.9246 174.5695 25 T 4.9264 8.6498 122.5577 61.7768 71.8682 172.7366 26 F 5.0804 8.8049 125.3086 55.7003 41.3121 174.6652 27 F 5.0210 8.4621 121.9826 55.8930 40.5049 175.3073 28 F 5.3399 9.1804 121.7938 55.7877 41.6729 176.0336 29 S 4.7375 10.1933 115.9867 59.8928 63.9083 173.8081 30 S 4.6566 7.5585 115.2176 56.3403 66.4854 174.7056 31 E 3.1656 7.5171 122.3643 58.6072 29.4011 178.4576 32 L 3.8081 7.4021 120.1744 58.3321 42.1734 178.5161 33 Y 4.3892 7.5370 116.1777 60.8394 37.8336 177.7368 34 L 2.4400 7.4802 120.9003 58.0094 42.0746 179.0266 35 N 4.3446 8.1740 116.1987 55.9047 38.2436 177.4493 36 K 3.9849 7.8598 121.1150 59.2147 32.2635 178.7346 37 F 4.0912 8.2112 120.9289 61.4330 39.2009 177.1784 38 L 4.2893 8.0072 117.1905 57.8512 41.5377 178.6888 39 D 4.7344 8.4179 116.9556 55.2670 41.3474 177.0802 40 G 4.1408 7.9923 107.0317 44.4937 0.0000 174.4510 41 Y 3.5794 7.9463 119.5181 59.9641 37.7230 178.6060 42 Q 3.6700 6.7744 119.3040 58.6981 28.8728 178.0891 43 E 3.9693 7.7752 119.8215 59.2171 29.7408 177.9947 44 Y 3.8432 7.7661 119.8096 60.3684 38.7044 178.0242 45 R 4.0462 8.0162 119.3003 59.0940 30.2434 179.1973 46 K 3.9707 7.6301 116.8668 59.3616 32.1718 179.3848 47 K 3.8740 7.8965 119.9486 59.2820 32.0093 178.5665 48 F 3.8986 8.3580 121.3361 61.3898 39.2194 176.9067 49 N 4.3462 8.3571 116.0748 56.1765 38.0305 177.5872 50 K 3.9195 7.8808 119.4612 59.3556 31.7010 179.5828 51 K 3.9129 7.8127 118.5592 59.4408 31.8647 179.5538 52 I 3.7002 7.5751 120.1255 64.3984 36.7923 178.4180 53 E 4.2155 8.0504 119.6593 58.6895 29.2960 179.1941 54 R 4.0692 7.5115 116.7144 57.9151 30.1865 178.4283 55 V 3.9039 6.8551 117.7700 63.8256 32.4140 175.6860 56 A 4.5232 7.7283 119.7242 50.8970 22.2966 174.9552 57 V 4.2315 8.2304 121.5219 61.5674 32.4548 175.3373 58 T 4.4929 7.9703 116.1296 59.4912 71.8196 171.3732 59 P 4.3944 0.0000 0.0000 62.2994 31.4262 175.8531 60 W 5.1989 7.1742 118.6602 56.4555 30.2598 176.0471 61 N 4.7505 9.0988 120.5823 53.2423 37.7821 174.8155 62 M 4.5682 8.5581 124.7686 55.4219 32.2457 177.4405 63 D 4.5018 8.1684 121.7157 58.0079 40.9832 178.4186 64 M 4.2491 8.1169 117.9629 58.6025 32.3463 177.8105 65 L 3.9913 8.0411 119.9405 57.8843 42.2422 178.6692 66 A 2.7370 7.8652 120.8435 54.8240 18.3138 179.2840 67 D 4.5624 8.4712 117.5769 57.7916 40.9691 179.1646 68 I 4.0465 8.3161 120.4467 64.8622 37.2202 178.7087 69 T 4.0737 8.0848 116.6755 66.5657 68.2329 176.7060 70 F 3.9512 8.6931 123.1402 61.0327 39.2301 176.6672 71 Y 4.0176 8.3317 119.3351 60.8898 38.3130 178.2998 72 S 3.7710 7.6982 114.6120 61.3468 62.9365 175.9394 73 E 3.9950 7.6226 120.9787 58.5250 29.4540 178.5502 74 V 3.4710 7.4168 118.0394 64.1732 31.8458 175.9005 75 E 3.6566 7.3530 119.9692 55.5899 29.5257 176.1459 76 K 4.2749 7.8932 124.5393 56.5234 32.9729 176.9157 77 R 4.5374 8.5216 118.6222 55.9571 30.6522 174.5922 78 G 3.7669 7.5429 103.9257 43.9079 0.0000 173.2772 79 F 4.5689 8.4356 120.4034 56.4982 42.2272 173.6998 80 H 4.9265 8.6492 127.1875 55.0518 33.3681 171.9079 81 A 5.3462 8.5101 125.8014 50.4720 23.1927 174.3053 82 W 5.4575 9.3164 118.6220 54.8553 33.3022 174.6266 83 L 4.8292 9.0832 124.7189 53.5858 44.5287 176.7362 84 K 3.8272 10.0002 127.3211 57.6162 30.2017 176.1364 85 G 3.9798 8.5593 103.6057 45.6177 0.0000 173.3477 86 D 4.3541 7.6860 118.9694 51.3461 44.2726 174.6130 87 N 4.7704 8.1956 120.6776 54.2451 39.3083 173.7197 88 A 5.2292 9.0416 128.1343 50.2362 22.0029 176.0003 89 T 4.3587 9.2495 112.1191 60.8153 70.7147 175.6667 90 W 3.9213 9.0808 131.0843 60.7946 30.5051 177.8715 91 R 3.7937 8.2781 118.0097 59.4157 29.6352 178.1572 92 E 4.0224 8.3108 118.5946 59.3198 29.4321 179.4893 93 V 3.7549 7.9795 118.5022 66.2855 31.5978 177.8938 94 H 4.0886 7.8924 115.7784 58.5081 28.4160 177.9510 95 V 3.5769 8.0163 120.4184 66.0206 31.3566 177.4728 96 Y 4.0198 8.1139 119.0879 60.7051 38.4530 177.9083 97 A 3.8879 7.9224 120.5494 54.8236 18.8042 179.4809 98 L 3.9529 7.7326 117.6704 58.1809 41.9385 179.9387 99 R 3.8187 7.7852 117.8390 59.1912 29.9250 179.1819 100 I 3.7184 7.4859 119.4459 64.0063 36.9600 178.0831 101 M 4.8061 7.8714 120.8065 57.6033 31.4432 178.2121 102 T 4.1424 7.1335 107.2957 62.2316 69.6876 174.9226 103 K 4.4591 7.3434 121.9100 54.4979 33.3456 175.1416 104 P 4.4209 0.0000 0.0000 65.5302 31.6417 176.8471 105 N 4.7393 7.8708 114.5831 52.1176 38.4302 174.1274 106 T 4.6752 8.0892 115.2355 61.7005 71.8112 173.7456 107 L 4.2883 8.3685 125.3270 54.2479 42.9671 176.4980 108 D 5.0215 8.3669 122.6197 53.5152 43.1307 174.9506 109 W 5.2822 8.8299 119.7770 55.3733 31.7594 175.7983 110 S 4.8492 8.7785 116.0516 56.8481 66.3815 173.2863 111 R 4.7111 8.6888 122.2183 56.5305 30.5055 175.3304 112 I 4.7225 8.2027 118.5517 58.8969 40.9424 175.0406 113 Q 4.1378 8.4486 121.0918 54.6125 29.4268 176.0068 114 K 3.5289 8.4870 121.2713 56.3043 32.1418 175.0478 115 P 4.6176 0.0000 0.0000 62.4818 32.6247 176.2757 116 R 4.3408 8.7145 117.4071 56.6196 30.1098 175.4238 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 2 P 0.00 4.46 0.00 2.18 2.14 0.00 3.77 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 1.89 1.97 0.00 3 K 8.36 3.08 0.00 1.18 1.55 0.00 1.81 0.00 0.00 1.66 0.00 0.00 3.03 0.00 0.00 3.23 0.00 0.00 0.00 0.00 1.18 0.82 7.81 4 T 8.22 4.28 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 1.28 0.00 0.00 5 Q 8.48 3.91 0.00 2.16 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 7.18 0.00 0.00 0.00 0.00 0.00 2.31 2.36 0.00 6 R 7.96 4.26 0.00 1.77 1.94 0.00 3.23 0.00 0.00 3.20 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.59 0.00 7 G 8.21 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.40 4.49 1.76 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.90 0.73 0.00 0.00 9 Y 8.75 4.72 0.00 2.99 3.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 H 8.85 4.29 0.00 3.16 3.40 0.00 5.86 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 N 8.00 4.82 0.00 2.78 2.77 0.00 0.00 7.22 6.66 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 12 L 8.46 4.05 0.00 1.64 1.69 0.94 0.84 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 13 K 7.86 3.29 0.00 1.45 1.74 0.00 1.74 0.00 0.00 1.71 0.00 0.00 2.97 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.38 1.40 7.81 14 E 7.83 4.34 0.00 2.16 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 0.00 2.32 2.41 0.00 15 S 7.52 2.79 0.00 3.67 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 16 E 6.99 3.92 0.00 1.80 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 0.00 1.47 1.47 0.00 17 Y 7.50 4.70 0.00 3.23 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 18 V 8.16 4.98 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 -0.03 0.00 0.00 0.70 0.00 0.00 19 A 8.87 5.36 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 20 S 9.16 4.91 0.00 3.73 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 N 7.82 4.62 0.00 2.01 1.42 0.00 0.00 7.14 7.82 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 22 T 7.85 3.45 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 1.09 0.00 0.00 23 D 7.88 4.68 0.00 2.51 2.26 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 24 V 8.46 4.63 1.62 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 0.69 0.00 0.00 0.21 0.00 0.00 25 T 8.65 4.93 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 0.55 0.00 0.00 26 F 8.80 5.08 0.00 2.15 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 27 F 8.46 5.02 0.00 2.77 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 28 F 9.18 5.34 0.00 2.97 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 29 S 10.19 4.74 0.00 4.17 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 0.00 30 S 7.56 4.66 0.00 3.68 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 31 E 7.52 3.17 0.00 1.22 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 2.20 2.18 0.00 32 L 7.40 3.81 0.00 1.60 1.29 0.89 0.88 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 33 Y 7.54 4.39 0.00 3.16 3.10 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 34 L 7.48 2.44 0.00 1.41 1.55 0.63 0.54 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 35 N 8.17 4.34 0.00 2.78 2.83 0.00 0.00 6.74 8.41 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 36 K 7.86 3.98 0.00 2.06 1.93 0.00 1.67 0.00 0.00 1.49 0.00 0.00 2.93 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.45 1.50 7.81 37 F 8.21 4.09 0.00 3.15 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 38 L 8.01 4.29 0.00 1.75 1.87 1.00 1.23 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 39 D 8.42 4.73 0.00 2.74 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 40 G 7.99 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 0.00 0.00 0.00 0.00 41 Y 7.95 3.58 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 42 Q 6.77 3.67 0.00 1.70 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.95 0.00 0.00 0.00 0.00 0.00 2.12 1.16 0.00 43 E 7.78 3.97 0.00 1.97 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 2.33 2.37 0.00 44 Y 7.77 3.84 0.00 2.20 2.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 R 8.02 4.05 0.00 2.14 2.04 0.00 3.34 0.00 0.00 3.42 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 2.00 0.00 46 K 7.63 3.97 0.00 1.96 1.82 0.00 1.64 0.00 0.00 1.55 0.00 0.00 2.96 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.45 1.59 7.81 47 K 7.90 3.87 0.00 1.74 1.66 0.00 1.63 0.00 0.00 1.40 0.00 0.00 2.88 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.29 1.37 7.81 48 F 8.36 3.90 0.00 2.82 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 49 N 8.36 4.35 0.00 3.05 2.87 0.00 0.00 7.07 7.56 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 50 K 7.88 3.92 0.00 1.92 1.81 0.00 1.64 0.00 0.00 1.62 0.00 0.00 2.90 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.43 1.62 7.81 51 K 7.81 3.91 0.00 1.73 1.69 0.00 1.60 0.00 0.00 1.60 0.00 0.00 2.93 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.39 1.53 7.81 52 I 7.58 3.70 1.74 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.52 0.88 0.00 0.00 53 E 8.05 4.22 0.00 2.04 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 2.32 2.45 0.00 54 R 7.51 4.07 0.00 1.86 1.96 0.00 3.12 0.00 0.00 3.12 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.88 0.00 55 V 6.86 3.90 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.00 0.00 0.95 0.00 0.00 56 A 7.73 4.52 1.22 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 0.00 0.00 57 V 8.23 4.23 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 0.80 0.00 0.00 0.90 0.00 0.00 58 T 7.97 4.49 3.86 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 1.24 0.00 0.00 59 P 0.00 4.39 0.00 1.62 1.72 0.00 2.51 0.00 0.00 3.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 0.99 0.00 60 W 7.17 5.20 0.00 3.39 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 61 N 9.10 4.75 0.00 2.89 2.96 0.00 0.00 7.37 7.27 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 62 M 8.56 4.57 0.00 2.46 2.50 0.00 0.00 0.00 0.00 0.00 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.82 2.90 0.00 63 D 8.17 4.50 0.00 2.79 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 M 8.12 4.25 0.00 2.18 2.14 0.00 0.00 0.00 0.00 0.00 2.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.92 2.92 0.00 65 L 8.04 3.99 0.00 1.91 1.97 1.08 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 66 A 7.87 2.74 1.17 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 0.00 0.00 0.00 67 D 8.47 4.56 0.00 3.28 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 68 I 8.32 4.05 2.12 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.19 0.99 0.00 0.00 69 T 8.08 4.07 4.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 70 F 8.69 3.95 0.00 2.56 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 71 Y 8.33 4.02 0.00 2.59 2.69 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 72 S 7.70 3.77 0.00 4.09 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 73 E 7.62 4.00 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 2.19 2.28 0.00 74 V 7.42 3.47 1.87 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 0.81 0.00 0.00 -0.07 0.00 0.00 75 E 7.35 3.66 0.00 1.39 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 1.92 2.15 0.00 76 K 7.89 4.27 0.00 1.80 1.77 0.00 1.62 0.00 0.00 1.42 0.00 0.00 2.89 0.00 0.00 2.88 0.00 0.00 0.00 0.00 0.88 1.26 7.81 77 R 8.52 4.54 0.00 1.99 1.96 0.00 3.18 0.00 0.00 3.23 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.73 0.00 78 G 7.54 3.77 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 0.00 0.00 0.00 79 F 8.44 4.57 0.00 2.89 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 80 H 8.65 4.93 0.00 3.21 3.00 0.00 5.80 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 81 A 8.51 5.35 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 W 9.32 5.46 0.00 3.31 3.02 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 83 L 9.08 4.83 0.00 1.66 1.45 0.42 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 84 K 10.00 3.83 0.00 1.76 1.78 0.00 1.73 0.00 0.00 1.63 0.00 0.00 3.01 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.36 1.36 7.81 85 G 8.56 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 86 D 7.69 4.35 0.00 2.52 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 87 N 8.20 4.77 0.00 2.60 2.66 0.00 0.00 6.76 7.96 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 88 A 9.04 5.23 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 89 T 9.25 4.36 4.38 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 1.29 0.00 0.00 90 W 9.08 3.92 0.00 2.91 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 91 R 8.28 3.79 0.00 2.14 2.02 0.00 3.32 0.00 0.00 3.40 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.77 0.00 92 E 8.31 4.02 0.00 2.38 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 2.37 2.37 0.00 93 V 7.98 3.75 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 1.27 0.00 0.00 94 H 7.89 4.09 0.00 3.05 3.11 0.00 5.87 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 V 8.02 3.58 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 1.01 0.00 0.00 0.98 0.00 0.00 96 Y 8.11 4.02 0.00 3.15 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 97 A 7.92 3.89 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 98 L 7.73 3.95 0.00 1.88 1.60 0.86 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 99 R 7.79 3.82 0.00 1.81 1.86 0.00 3.11 0.00 0.00 3.13 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.87 0.00 100 I 7.49 3.72 1.53 0.00 0.00 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.47 0.80 0.00 0.00 101 M 7.87 4.81 0.00 1.90 1.99 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.83 2.67 0.00 102 T 7.13 4.14 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 0.75 0.00 0.00 103 K 7.34 4.46 0.00 1.84 1.77 0.00 1.65 0.00 0.00 1.73 0.00 0.00 2.95 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.41 1.31 7.81 104 P 0.00 4.42 0.00 2.20 2.22 0.00 3.78 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.98 0.00 105 N 7.87 4.74 0.00 2.85 2.87 0.00 0.00 5.79 7.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 T 8.09 4.68 4.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 107 L 8.37 4.29 0.00 1.47 1.50 0.93 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 108 D 8.37 5.02 0.00 2.68 2.84 0.00 0.00 0.00 0.00 0.00 0.00 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 W 8.83 5.28 0.00 2.52 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 0.00 110 S 8.78 4.85 0.00 3.93 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 0.00 111 R 8.69 4.71 0.00 1.89 1.90 0.00 3.21 0.00 0.00 3.31 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.80 0.00 112 I 8.20 4.72 1.80 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.69 0.92 0.00 0.00 113 Q 8.45 4.14 0.00 2.03 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.54 6.92 0.00 0.00 0.00 0.00 0.00 2.33 2.32 0.00 114 K 8.49 3.53 0.00 1.57 1.69 0.00 1.65 0.00 0.00 1.71 0.00 0.00 3.04 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.40 1.49 7.81 115 P 0.00 4.62 0.00 2.52 2.03 0.00 3.52 0.00 0.00 3.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.14 0.00 116 R 8.71 4.34 0.00 1.84 1.92 0.00 3.39 0.00 0.00 3.31 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.70 0.00