NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 P 4.4478 0.0000 0.0000 62.4456 32.6607 175.7129 6 K 4.0153 8.4300 123.3388 56.2999 33.8822 174.9657 7 S 5.0717 7.9869 114.1568 57.6520 66.7980 173.0182 8 A 5.2165 9.1487 121.2693 50.5592 23.2234 175.0824 9 I 4.5112 8.6077 119.6094 59.4852 40.6240 174.9247 10 I 4.5759 8.6881 129.0368 60.0798 38.7349 174.5555 11 Y 5.0753 9.1067 126.7448 56.7965 39.1828 175.2229 12 T 5.3896 8.7404 114.1503 59.6816 72.4989 175.0921 13 T 4.1063 8.8857 111.4476 63.8118 68.8282 175.0157 14 M 4.3433 8.1182 120.8291 54.5585 32.8634 174.1899 15 G 3.7727 7.2013 105.3901 43.9747 0.0000 171.9574 16 D 5.4487 8.6865 118.0591 52.4922 43.9505 175.7208 17 I 4.8406 8.6484 123.8503 59.9682 40.0185 174.1850 18 H 5.1747 9.2694 125.3717 54.4830 30.9130 174.5214 19 I 5.0523 8.5682 122.9301 59.5145 41.2800 174.6383 20 S 4.7701 8.8940 121.9253 57.4506 64.8818 173.0169 21 L 4.7292 8.4102 122.2859 52.6268 43.7913 177.5625 22 F 4.8604 8.3094 123.7425 56.5190 37.5247 176.6540 23 Y 4.2396 7.8849 119.9518 59.6955 38.8967 178.5925 24 K 3.8362 6.9244 119.1778 58.9869 32.3375 177.6328 25 E 3.7259 7.7327 116.1892 58.5303 30.6675 177.7109 26 C 4.7448 7.7789 117.7490 58.4599 25.1006 174.7669 27 K 4.0016 7.7979 124.2592 59.7748 32.2694 179.4328 28 K 4.1512 8.2207 118.0923 59.6949 31.9544 179.7328 29 T 4.0766 8.5036 116.1728 66.6262 68.3718 177.0818 30 V 3.6655 8.2499 120.6506 65.8509 31.4665 177.7487 31 Q 3.8910 8.1779 119.3393 59.2081 28.9212 177.6340 32 N 3.6067 8.1776 118.1864 56.5950 38.8608 176.4943 33 F 4.2161 8.1673 121.9100 61.3436 39.4846 177.2831 34 S 3.9757 8.5330 114.4294 61.2833 62.7767 176.5733 35 V 3.3930 7.8337 122.1444 65.9209 31.2055 177.5758 36 H 3.9353 7.7005 115.8620 58.9185 28.5077 177.8790 37 S 4.1702 7.9227 116.6676 61.7781 62.4583 176.9034 38 I 3.7052 7.5255 120.9232 64.4067 37.0008 177.8691 39 N 4.5516 8.0938 114.8127 53.9053 38.6652 176.1389 40 G 3.9364 7.9526 109.4431 45.6551 0.0000 174.9022 41 Y 3.8755 8.0195 122.2119 60.3446 38.9267 176.8883 42 Y 4.5907 7.7789 115.5261 58.8128 39.0572 175.1118 43 N 4.7622 7.8544 118.8899 54.5746 38.9728 175.5941 44 N 4.4303 9.3858 118.8046 53.6686 37.4125 174.5615 45 C 4.2354 7.9316 117.7926 59.6448 28.7037 173.4822 46 I 4.6620 7.9237 117.0813 59.5451 38.9358 176.0975 47 F 4.3469 8.8043 121.0843 57.1421 37.3177 175.4196 48 H 4.6239 8.5636 122.1505 56.8271 30.2125 175.1248 49 R 4.7670 7.5791 119.6954 54.7561 33.0769 173.6202 50 V 4.7583 9.0252 126.7616 61.1471 34.6273 174.6924 51 I 4.5728 8.7636 128.2596 58.9890 40.3214 175.1143 52 K 4.1472 8.8764 128.7004 58.1291 32.4827 175.7565 53 H 4.2312 9.1589 121.4111 56.6761 26.3165 175.3428 54 F 5.1811 7.5946 119.8104 58.0786 42.4288 173.8248 55 M 5.0182 7.2977 113.6647 54.6551 34.8661 173.6012 56 V 4.8718 8.6414 112.5905 59.6182 35.2285 174.7603 57 Q 4.9192 9.1228 125.4038 55.0559 32.7433 174.3247 58 T 4.3557 8.3669 118.4615 61.3584 70.6865 174.5762 59 G 3.9820 8.9043 111.7626 45.5768 0.0000 172.6875 60 D 4.8135 7.6640 119.5152 51.4547 41.5098 174.7765 61 P 4.2126 0.0000 0.0000 65.3035 31.5751 178.5197 62 S 4.0856 8.0440 112.6549 59.3099 62.9897 175.7275 63 G 3.9440 8.0927 108.1495 45.2130 0.0000 173.8959 64 D 4.3329 7.8068 119.2353 58.0224 41.2310 176.8377 65 G 3.9308 8.4999 105.7108 45.5724 0.0000 174.3105 66 T 4.4182 7.8130 107.2985 61.2303 69.8662 174.6685 67 G 3.8367 8.0292 111.2787 44.8335 0.0000 173.5599 68 G 4.6642 9.8239 104.5534 47.3365 0.0000 172.7606 69 E 4.8092 8.5976 118.4759 53.8590 32.9119 175.4844 70 S 4.6770 8.6075 115.3667 57.9182 63.8758 175.1740 71 I 3.1818 8.0238 114.5951 62.8947 37.0225 177.0288 72 W 4.3692 7.3251 119.6373 56.5432 29.3533 176.7536 73 G 4.3274 8.2968 112.4394 45.9619 0.0000 174.3627 74 N 4.7063 7.8558 116.6721 52.0114 39.1437 175.0582 75 E 4.7030 8.7428 120.6084 56.8228 31.1867 175.7683 76 F 5.0638 8.6502 117.1476 54.4934 41.7259 173.9800 77 E 4.5258 8.7213 116.5190 55.9250 30.3238 176.7236 78 D 4.2171 8.3733 121.0726 54.3347 41.2646 176.8093 79 E 4.2359 8.4099 121.4299 54.5216 30.6273 175.0141 80 F 4.8370 7.5726 121.4121 55.8794 40.8750 175.9618 81 F 4.7406 7.9929 121.5620 55.7912 42.8753 175.0173 82 D 4.7374 9.4915 125.9337 58.0518 40.6676 177.7338 83 H 4.3945 8.3163 110.8210 56.2741 29.0701 174.7686 84 L 4.1891 7.5061 121.3460 53.1391 41.7297 174.9579 85 N 5.0027 8.0685 119.8691 52.2901 40.4781 173.6458 86 H 4.8925 9.3003 113.4374 55.6606 29.1081 177.9608 87 S 4.2045 8.6136 117.5371 60.2287 63.1316 174.3387 88 K 4.5891 7.6016 119.1100 53.4498 34.1535 173.9156 89 P 4.4050 0.0000 0.0000 63.0929 32.1733 175.2596 90 F 4.0489 7.7871 113.6706 59.0610 36.7268 175.2170 91 M 4.6310 7.7547 118.9622 54.4871 34.1906 175.8053 92 V 4.5017 8.1146 121.6843 61.2927 33.6679 174.7781 93 S 5.1215 8.2484 123.0345 56.7707 67.5886 173.1599 94 M 4.8289 8.9671 122.1507 55.1012 32.3625 176.5997 95 A 4.8645 8.8550 125.5894 52.4885 19.4918 176.1504 96 N 4.9410 8.6898 116.2602 52.6679 40.2720 173.7307 97 C 4.8013 8.7279 115.0622 59.7362 28.7284 172.7553 98 G 3.7938 8.2078 104.6691 43.0362 0.0000 172.2890 99 P 4.4279 0.0000 0.0000 64.2542 31.9257 176.4668 100 N 4.2629 8.6314 119.0575 55.1974 36.4725 174.4371 101 T 4.8708 7.2603 99.7733 60.1037 70.1204 173.9928 102 N 4.4018 7.8852 120.3472 54.3188 40.3598 174.0201 103 G 4.1529 8.9237 109.9195 45.7240 0.0000 174.9503 104 S 5.0002 9.3115 122.6505 58.0682 65.6614 174.2100 105 Q 4.9461 8.2225 120.8487 56.1099 29.8262 175.0663 106 F 5.8579 8.6974 116.8492 55.7728 42.1837 172.7671 107 F 5.4778 9.4282 113.9563 55.3793 42.1555 173.3270 108 I 5.0794 8.8416 119.9152 59.6907 40.1423 175.7510 109 T 4.8336 8.8791 117.8900 61.7437 70.2507 175.1552 110 T 4.0756 8.8354 111.7776 61.5072 69.7805 173.9203 111 V 4.5115 7.4336 113.7716 59.0087 36.1544 172.9078 112 P 4.3143 0.0000 0.0000 62.8120 31.7688 176.7805 113 C 3.1548 8.4935 121.2524 57.3038 28.6709 173.8022 114 P 4.4851 0.0000 0.0000 65.1266 31.4597 178.8296 115 W 4.3767 7.9767 114.8450 58.3502 28.4270 176.5922 116 L 4.3345 7.4067 119.1992 55.2408 41.6538 176.3878 117 D 4.6537 7.7101 119.8587 55.6271 41.0666 176.1206 118 F 2.0000 8.3404 120.2467 57.5727 36.4438 175.8255 119 K 4.5388 7.9574 121.1048 56.7468 34.2985 176.4690 120 H 5.1281 7.9910 114.0698 53.7193 31.9938 173.1712 121 T 4.2270 8.7502 120.5175 63.9609 69.4057 173.3685 122 V 4.5759 8.8708 127.5911 61.3825 32.1345 175.2707 123 F 5.1494 8.8835 121.9344 56.4648 39.7885 174.3405 124 G 3.4495 7.0675 105.9750 45.7703 0.0000 172.0131 125 K 4.9615 7.9806 117.7361 55.0595 36.2309 175.8146 126 V 4.2204 8.6453 124.2397 63.3812 31.4459 175.6834 127 T 4.5336 8.8285 117.5693 61.9682 70.6934 174.2385 128 Q 4.2477 7.9431 122.7520 55.9284 32.7997 174.7238 129 G 3.9945 9.1671 113.2104 46.9074 0.0000 175.1155 130 S 3.5876 7.8376 117.2675 61.0288 62.3506 176.2611 131 K 3.8561 7.7825 122.4798 59.2010 31.8408 178.7266 132 I 3.6427 7.5098 120.2392 64.1751 37.0227 178.4734 133 V 3.5287 7.6305 118.5888 66.0778 31.2383 177.9152 134 L 4.1241 7.9531 117.5751 57.7585 41.5566 179.0471 135 D 4.4707 8.2180 118.9908 57.4315 40.6859 178.6665 136 I 3.5819 7.9494 120.9022 64.3853 36.9130 178.1648 137 E 4.0808 8.0581 116.1626 58.3009 29.6379 178.2204 138 K 4.2320 7.5060 118.0835 56.4101 32.8102 177.3306 139 V 3.8856 6.7124 113.2970 60.8049 32.5933 176.1823 140 R 4.1581 8.6237 124.3694 56.8667 30.8829 175.4077 141 T 5.2039 8.4032 115.7518 59.7644 72.3728 173.5724 142 D 4.7325 8.5752 122.3246 52.3771 41.1272 177.0695 143 K 4.0645 8.5302 117.2424 58.8495 32.0502 178.1055 144 R 4.3658 8.1080 116.1617 55.7216 30.4652 176.2213 145 D 4.5803 8.3892 117.4247 54.6278 38.9466 172.9988 146 K 4.8926 8.1195 121.0342 53.5450 32.9854 174.4201 147 P 4.7417 0.0000 0.0000 62.9673 31.9577 176.2509 148 L 4.1075 8.7016 123.1897 57.6157 41.7304 177.6387 149 E 4.4899 7.8597 116.7644 54.4975 30.6225 175.8448 150 D 4.4344 8.7521 123.7312 54.9462 41.5546 175.6223 151 I 4.5789 8.4748 124.0780 59.5558 39.7552 174.6051 152 K 5.1741 8.8473 126.3061 54.5201 35.7565 175.4613 153 I 4.5818 8.7089 125.1808 61.5572 37.7487 176.6954 154 L 4.1898 9.4200 128.2093 57.1755 42.2982 176.6531 155 N 5.6095 7.9467 114.7300 53.0696 42.7016 172.7914 156 I 5.1133 8.3541 123.3533 59.4892 40.3454 174.6841 157 K 4.5510 9.2045 129.2103 55.2835 33.9381 175.0363 158 I 4.8169 8.3398 127.4778 59.6334 39.6799 175.2843 159 N 4.5945 9.0715 123.7822 53.3500 38.7302 175.0757 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 5 P 0.00 4.45 0.00 2.11 2.08 0.00 3.68 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 1.96 2.11 0.00 6 K 8.43 4.02 0.00 1.54 1.69 0.00 1.46 0.00 0.00 0.61 0.00 0.00 2.72 0.00 0.00 2.76 0.00 0.00 0.00 0.00 0.98 1.38 7.81 7 S 7.99 5.07 0.00 3.97 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 8 A 9.15 5.22 1.34 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 0.00 0.00 0.00 0.00 0.00 0.00 9 I 8.61 4.51 1.36 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 0.68 0.61 -0.08 0.00 0.00 10 I 8.69 4.58 1.95 0.00 0.00 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 1.38 0.86 1.10 0.00 0.00 11 Y 9.11 5.08 0.00 2.94 2.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 T 8.74 5.39 4.57 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 1.49 0.00 0.00 13 T 8.89 4.11 4.28 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 1.27 0.00 0.00 14 M 8.12 4.34 0.00 1.97 2.03 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.43 0.00 15 G 7.20 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 16 D 8.69 5.45 0.00 2.61 2.40 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 17 I 8.65 4.84 1.91 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.66 0.91 0.00 0.00 18 H 9.27 5.17 0.00 3.05 3.15 0.00 5.58 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 I 8.57 5.05 1.76 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.69 0.59 0.00 0.00 20 S 8.89 4.77 0.00 3.81 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 21 L 8.41 4.73 0.00 1.71 1.67 1.07 0.93 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 22 F 8.31 4.86 0.00 3.04 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 23 Y 7.88 4.24 0.00 3.13 3.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 K 6.92 3.84 0.00 1.39 1.65 0.00 1.57 0.00 0.00 1.52 0.00 0.00 2.75 0.00 0.00 2.95 0.00 0.00 0.00 0.00 0.56 0.41 7.81 25 E 7.73 3.73 0.00 1.31 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 1.79 0.00 26 C 7.78 4.74 0.00 3.21 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 27 K 7.80 4.00 0.00 1.85 1.92 0.00 1.71 0.00 0.00 1.87 0.00 0.00 2.97 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.81 1.58 7.81 28 K 8.22 4.15 0.00 2.05 1.71 0.00 1.66 0.00 0.00 0.85 0.00 0.00 2.13 0.00 0.00 2.54 0.00 0.00 0.00 0.00 1.24 1.34 7.81 29 T 8.50 4.08 4.33 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 0.93 0.00 0.00 30 V 8.25 3.67 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 1.19 0.00 0.00 1.14 0.00 0.00 31 Q 8.18 3.89 0.00 2.29 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.53 0.00 0.00 0.00 0.00 0.00 2.18 2.31 0.00 32 N 8.18 3.61 0.00 2.47 2.90 0.00 0.00 6.93 8.48 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 33 F 8.17 4.22 0.00 2.85 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 S 8.53 3.98 0.00 4.04 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 0.00 35 V 7.83 3.39 1.78 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 0.85 0.00 0.00 0.78 0.00 0.00 36 H 7.70 3.94 0.00 3.15 2.50 0.00 5.68 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 37 S 7.92 4.17 0.00 3.78 3.78 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 38 I 7.53 3.71 1.80 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.50 0.87 0.00 0.00 39 N 8.09 4.55 0.00 2.68 2.84 0.00 0.00 7.17 8.45 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 40 G 7.95 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 0.00 0.00 0.00 41 Y 8.02 3.88 0.00 2.68 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 42 Y 7.78 4.59 0.00 3.13 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 43 N 7.85 4.76 0.00 2.89 2.84 0.00 0.00 6.89 6.49 0.00 0.00 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 N 9.39 4.43 0.00 2.81 2.95 0.00 0.00 7.05 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 45 C 7.93 4.24 0.00 3.14 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 46 I 7.92 4.66 1.95 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 1.43 0.70 0.94 0.00 0.00 47 F 8.80 4.35 0.00 3.02 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 48 H 8.56 4.62 0.00 3.17 3.55 0.00 5.21 0.00 0.00 0.00 0.00 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 R 7.58 4.77 0.00 1.81 1.58 0.00 3.11 0.00 0.00 3.37 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.59 0.00 50 V 9.03 4.76 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 0.82 0.00 0.00 0.96 0.00 0.00 51 I 8.76 4.57 2.01 0.00 0.00 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 1.18 0.98 1.11 0.00 0.00 52 K 8.88 4.15 0.00 1.68 1.65 0.00 1.69 0.00 0.00 1.62 0.00 0.00 2.86 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.17 1.62 7.81 53 H 9.16 4.23 0.00 3.41 3.41 0.00 5.65 0.00 0.00 0.00 0.00 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 F 7.59 5.18 0.00 3.02 2.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 M 7.30 5.02 0.00 1.67 2.01 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.85 0.00 56 V 8.64 4.87 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 0.67 0.00 0.00 1.11 0.00 0.00 57 Q 9.12 4.92 0.00 1.96 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.44 0.00 0.00 0.00 0.00 0.00 2.13 2.45 0.00 58 T 8.37 4.36 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 -0.01 0.00 0.00 59 G 8.90 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 60 D 7.66 4.81 0.00 2.61 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 61 P 0.00 4.21 0.00 1.85 1.74 0.00 3.69 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.31 0.00 62 S 8.04 4.09 0.00 3.98 3.97 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 63 G 8.09 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 0.00 0.00 0.00 64 D 7.81 4.33 0.00 2.64 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 65 G 8.50 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 66 T 7.81 4.42 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 67 G 8.03 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 68 G 9.82 4.66 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 69 E 8.60 4.81 0.00 2.26 1.95 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 2.31 2.18 0.00 70 S 8.61 4.68 0.00 4.48 4.57 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 71 I 8.02 3.18 1.13 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.25 -0.36 0.09 0.00 0.00 72 W 7.33 4.37 0.00 3.41 3.12 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 73 G 8.30 4.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 N 7.86 4.71 0.00 2.83 2.83 0.00 0.00 6.92 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 75 E 8.74 4.70 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 2.57 2.39 0.00 76 F 8.65 5.06 0.00 2.88 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 77 E 8.72 4.53 0.00 1.89 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.21 0.00 78 D 8.37 4.22 0.00 1.86 1.54 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 79 E 8.41 4.24 0.00 2.00 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 2.24 2.28 0.00 80 F 7.57 4.84 0.00 2.57 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 81 F 7.99 4.74 0.00 2.83 2.81 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 82 D 9.49 4.74 0.00 2.81 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 83 H 8.32 4.39 0.00 3.22 3.40 0.00 5.49 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 L 7.51 4.19 0.00 1.61 1.40 0.59 -0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 85 N 8.07 5.00 0.00 3.07 2.77 0.00 0.00 6.20 7.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 H 9.30 4.89 0.00 3.09 3.23 0.00 5.81 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 S 8.61 4.20 0.00 3.97 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 88 K 7.60 4.59 0.00 1.76 1.78 0.00 1.77 0.00 0.00 1.80 0.00 0.00 3.04 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.37 1.40 7.81 89 P 0.00 4.40 0.00 0.87 1.81 0.00 3.90 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.90 0.00 90 F 7.79 4.05 0.00 3.34 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 M 7.75 4.63 0.00 1.88 1.92 0.00 0.00 0.00 0.00 0.00 2.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.70 2.82 0.00 92 V 8.11 4.50 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 0.23 0.00 0.00 0.65 0.00 0.00 93 S 8.25 5.12 0.00 2.72 3.51 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 94 M 8.97 4.83 0.00 2.10 2.17 0.00 0.00 0.00 0.00 0.00 2.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.78 0.00 95 A 8.86 4.86 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 96 N 8.69 4.94 0.00 2.80 2.83 0.00 0.00 5.88 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 97 C 8.73 4.80 0.00 2.96 2.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 G 8.21 3.79 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 0.00 0.00 0.00 99 P 0.00 4.43 0.00 2.08 2.07 0.00 3.87 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.20 0.00 100 N 8.63 4.26 0.00 2.80 2.79 0.00 0.00 6.77 7.58 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 0.00 101 T 7.26 4.87 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 1.33 0.00 0.00 102 N 7.89 4.40 0.00 1.44 1.77 0.00 0.00 6.75 8.45 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 0.00 103 G 8.92 4.15 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 0.00 0.00 0.00 104 S 9.31 5.00 0.00 4.24 4.39 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 0.00 105 Q 8.22 4.95 0.00 2.21 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.76 0.00 0.00 0.00 0.00 0.00 2.65 2.50 0.00 106 F 8.70 5.86 0.00 3.48 3.34 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 0.00 0.00 0.00 0.00 107 F 9.43 5.48 0.00 3.12 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 0.00 108 I 8.84 5.08 2.01 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.91 1.04 0.00 0.00 109 T 8.88 4.83 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 1.40 0.00 0.00 110 T 8.84 4.08 4.21 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 1.31 0.00 0.00 111 V 7.43 4.51 2.15 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 0.77 0.00 0.00 1.21 0.00 0.00 112 P 0.00 4.31 0.00 1.97 2.20 0.00 3.64 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.21 0.00 113 C 8.49 3.15 0.00 2.44 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 0.00 0.00 0.00 114 P 0.00 4.49 0.00 2.28 2.33 0.00 3.75 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.05 0.00 115 W 7.98 4.38 0.00 3.42 3.39 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 0.00 116 L 7.41 4.33 0.00 1.18 1.60 0.95 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 117 D 7.71 4.65 0.00 2.85 2.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 F 8.34 2.00 0.00 2.88 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 0.00 119 K 7.96 4.54 0.00 1.93 1.86 0.00 1.73 0.00 0.00 1.79 0.00 0.00 3.24 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.38 1.39 7.81 120 H 7.99 5.13 0.00 3.33 3.55 0.00 5.71 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 T 8.75 4.23 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 1.46 0.00 0.00 122 V 8.87 4.58 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 0.87 0.00 0.00 0.67 0.00 0.00 123 F 8.88 5.15 0.00 3.13 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 0.00 124 G 7.07 3.45 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 0.00 125 K 7.98 4.96 0.00 1.84 1.94 0.00 1.50 0.00 0.00 1.66 0.00 0.00 2.88 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.31 1.36 7.81 126 V 8.65 4.22 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 0.74 0.00 0.00 1.01 0.00 0.00 127 T 8.83 4.53 4.21 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 1.18 0.00 0.00 128 Q 7.94 4.25 0.00 1.96 1.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 5.66 0.00 0.00 0.00 0.00 0.00 2.19 2.24 0.00 129 G 9.17 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 S 7.84 3.59 0.00 2.72 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 0.00 131 K 7.78 3.86 0.00 1.82 1.77 0.00 1.59 0.00 0.00 1.79 0.00 0.00 3.03 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.47 1.56 7.81 132 I 7.51 3.64 1.96 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 1.35 0.88 0.85 0.00 0.00 133 V 7.63 3.53 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 1.24 0.00 0.00 0.96 0.00 0.00 134 L 7.95 4.12 0.00 1.85 1.78 1.06 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 135 D 8.22 4.47 0.00 2.84 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 0.00 136 I 7.95 3.58 1.77 0.00 0.00 0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.72 0.47 0.00 0.00 137 E 8.06 4.08 0.00 2.13 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 2.48 2.33 0.00 138 K 7.51 4.23 0.00 1.81 1.88 0.00 1.71 0.00 0.00 1.72 0.00 0.00 3.16 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.43 1.62 7.81 139 V 6.71 3.89 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 0.65 0.00 0.00 0.95 0.00 0.00 140 R 8.62 4.16 0.00 1.90 1.81 0.00 3.12 0.00 0.00 3.39 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.64 0.00 141 T 8.40 5.20 4.15 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 1.27 0.00 0.00 142 D 8.58 4.73 0.00 2.94 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 0.00 143 K 8.53 4.06 0.00 1.78 1.92 0.00 1.74 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.45 1.47 7.81 144 R 8.11 4.37 0.00 1.94 1.96 0.00 3.46 0.00 0.00 3.24 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.59 0.00 145 D 8.39 4.58 0.00 2.90 3.01 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 0.00 146 K 8.12 4.89 0.00 1.83 1.98 0.00 1.73 0.00 0.00 1.77 0.00 0.00 2.96 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.42 1.55 7.81 147 P 0.00 4.74 0.00 2.21 2.00 0.00 3.84 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.15 0.00 148 L 8.70 4.11 0.00 1.64 1.74 0.93 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 149 E 7.86 4.49 0.00 1.96 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 2.26 2.27 0.00 150 D 8.75 4.43 0.00 2.69 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 0.00 151 I 8.47 4.58 1.97 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 1.32 0.88 0.81 0.00 0.00 152 K 8.85 5.17 0.00 1.77 1.74 0.00 1.69 0.00 0.00 1.67 0.00 0.00 2.87 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.40 1.43 7.81 153 I 8.71 4.58 2.10 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 1.33 0.45 1.11 0.00 0.00 154 L 9.42 4.19 0.00 1.68 1.75 0.98 0.96 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 0.00 155 N 7.95 5.61 0.00 2.81 2.71 0.00 0.00 7.45 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 0.00 156 I 8.35 5.11 1.90 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 1.34 0.93 0.94 0.00 0.00 157 K 9.20 4.55 0.00 2.18 1.80 0.00 1.73 0.00 0.00 1.87 0.00 0.00 2.93 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.44 1.48 7.81 158 I 8.34 4.82 1.86 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 1.31 1.14 0.91 0.00 0.00 159 N 9.07 4.59 0.00 2.63 2.68 0.00 0.00 6.69 7.60 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