NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 21 F 4.6243 8.3249 119.4354 56.2513 40.4100 174.6227 22 P 4.1769 0.0000 0.0000 60.1830 31.4028 173.0083 23 P 3.7923 0.0000 0.0000 65.8736 32.1059 175.6098 24 G 3.8635 6.7917 107.2569 41.8421 0.0000 172.6573 25 H 4.9039 8.5795 121.5398 53.4200 32.0703 174.8759 26 F 4.2965 8.7847 121.7900 59.4933 37.4740 176.2538 27 K 4.1882 6.9151 118.0149 57.5407 33.2090 176.8341 28 D 4.4953 7.6981 120.2843 53.3664 41.2711 174.3367 29 P 4.6552 0.0000 0.0000 63.1990 32.4094 175.0190 30 K 4.9239 9.4715 119.8463 55.2054 37.4039 175.0634 31 R 5.1259 9.0920 119.8107 53.8479 33.2312 175.8061 32 L 5.0285 8.6805 123.0238 53.4022 43.3376 174.4300 33 Y 4.5389 9.1187 126.7116 57.0313 40.3913 173.4531 34 C 4.3114 8.4664 130.1862 58.0407 32.7205 174.7867 35 K 3.7403 8.5959 129.1759 57.7081 31.2396 173.3199 36 N 4.2861 7.4714 119.0678 54.8402 37.2002 174.3216 37 G 3.7340 8.3672 114.1647 43.9680 0.0000 171.7065 38 G 2.9612 6.9859 106.3829 46.2391 0.0000 173.3907 39 F 4.7331 7.2662 117.0459 55.9139 41.3597 175.1961 40 F 5.1262 9.8192 122.3420 56.1731 40.7510 175.0993 41 L 4.5559 9.3008 126.2526 55.2618 43.2380 175.4924 42 R 4.8886 9.7465 127.4857 54.5465 33.2253 174.1078 43 I 4.7171 8.5161 127.3307 59.7259 38.9144 175.4772 44 H 4.3382 9.1580 125.5731 54.6287 29.3028 175.3879 45 P 4.1639 0.0000 0.0000 65.4076 31.2757 177.0322 46 D 4.6232 8.0977 115.5942 53.0539 39.6495 177.3264 47 G 4.1444 8.3865 109.3723 45.6742 0.0000 174.3005 48 R 4.3089 7.6851 119.1761 56.0382 30.7884 175.5911 49 V 4.8762 7.9323 120.6581 61.2485 34.4797 174.4665 50 D 4.6679 8.4452 125.0691 53.2658 43.0687 174.3558 51 G 4.5572 8.6178 104.4857 45.3923 0.0000 172.4123 52 V 5.0537 8.9759 113.3649 60.1844 36.3599 176.1778 53 R 4.0805 8.8758 119.0865 56.5631 31.3792 176.5567 54 E 4.1923 8.3092 121.6191 55.8071 28.7381 177.4394 55 K 3.4427 8.7243 129.0845 57.2497 31.7921 175.4405 56 S 4.2165 8.4976 111.0388 60.2399 62.6120 173.7862 57 D 4.3190 8.1772 121.0978 54.3692 41.0330 175.4203 58 P 4.1657 0.0000 0.0000 65.0750 31.8730 176.3540 59 H 4.8494 9.7357 118.0951 55.7114 28.7140 176.0596 60 I 4.4950 7.2987 113.6355 60.1126 38.5236 175.5596 61 K 4.2481 7.8533 126.2704 55.1428 32.4275 181.1249 62 L 5.2055 9.3929 126.1671 51.9021 45.6869 175.6116 63 Q 4.6931 8.9572 122.3205 54.4771 31.3306 174.2856 64 L 5.0492 8.5791 126.6401 53.9700 43.5219 176.2032 65 Q 4.6561 8.7782 122.6313 54.4622 32.6904 173.8114 66 A 4.6640 8.8823 129.7738 52.0937 19.2510 176.5562 67 E 4.3292 8.8850 123.9784 57.2799 30.6315 175.2113 68 E 4.6109 7.6873 114.4093 54.9028 31.7486 174.4171 69 R 3.8527 8.7070 118.9939 58.1996 30.2153 176.6411 70 G 4.0433 9.0405 111.3544 45.8984 0.0000 172.4321 71 V 4.9262 7.9300 120.4346 61.1818 34.2858 174.8602 72 V 5.3918 9.0714 119.7405 59.9895 36.9752 174.0697 73 S 5.4496 9.1227 115.5774 55.8962 66.5066 173.4725 74 I 4.6389 8.4018 121.1079 59.6909 40.2709 173.9908 75 K 4.4870 8.7680 129.7596 54.1332 34.3930 175.4182 76 G 3.8428 8.8222 116.0229 46.0713 0.0000 174.0551 77 V 3.5578 8.5176 127.0875 66.2174 31.5050 177.5172 78 S 4.1476 7.9055 113.7879 61.5865 62.8961 175.8251 79 A 3.9310 8.0404 122.7405 53.4725 18.2819 176.6235 80 N 4.0974 7.6561 112.9216 54.7398 38.1875 173.5679 81 R 4.9080 7.4407 112.1460 54.3628 35.2279 174.1801 82 Y 4.9856 9.0731 118.7867 55.9712 40.4385 175.3613 83 L 4.6009 9.1999 126.3356 55.6108 43.5253 175.5778 84 A 5.2542 9.2428 126.0949 50.9017 23.2924 174.6342 85 M 5.1345 8.8178 122.9995 54.2739 34.2785 176.7178 86 K 4.6224 9.1335 130.6268 54.3242 32.9943 174.7558 87 E 3.4917 9.2771 113.3452 59.4417 29.3156 178.4277 88 D 4.5478 7.9711 116.5735 54.1891 39.9777 177.0054 89 G 3.7305 8.7508 111.4658 45.4069 0.0000 174.3770 90 R 4.5423 8.2466 120.6819 56.7645 30.7981 180.7006 91 L 5.1278 6.7057 120.9167 52.8619 43.8811 175.6517 92 L 4.6497 8.7264 122.1194 54.8427 44.8416 173.7934 93 A 5.2652 9.1983 121.2755 50.2384 21.3149 175.5817 94 S 4.8273 8.9351 120.3199 57.4512 65.0185 176.7412 95 K 4.2936 8.8791 123.3683 56.5906 31.9157 177.0708 96 S 4.7463 7.6999 111.8432 55.9280 64.3522 173.6066 97 V 3.1714 8.0426 127.7504 63.0860 31.6735 174.8038 98 T 4.7034 7.8019 116.5106 59.7176 71.6339 173.5943 99 D 4.8774 8.6137 119.0709 54.5032 39.7270 176.2931 100 E 4.3460 8.2584 119.1735 56.8216 29.8130 176.1992 101 C 4.7325 7.2557 116.0058 58.4641 29.6354 172.7650 102 F 4.9840 7.0550 118.0585 55.5596 41.7065 174.3454 103 F 5.3064 9.0309 121.0188 55.5453 43.5745 174.1107 104 F 4.8081 9.8129 122.9971 57.5351 39.8900 173.9391 105 E 4.7306 9.3687 126.3045 54.9141 30.7404 175.2196 106 R 4.5944 8.4818 126.6709 54.4878 33.8540 173.6755 107 L 4.9900 8.5692 128.4337 53.5239 42.3668 175.8418 108 E 4.3070 9.1334 127.2083 55.7459 30.1312 178.7809 109 S 4.1204 8.5797 114.9217 61.0605 62.9951 174.8450 110 N 4.6404 8.1657 116.3563 52.6408 37.4624 174.7210 111 N 4.3391 8.4201 115.2808 54.6142 36.4548 173.2135 112 Y 4.8087 8.1925 115.1105 56.4371 41.7627 174.4247 113 N 5.6609 9.9146 119.1843 52.0663 41.7154 174.3410 114 T 5.2118 8.5886 110.8137 60.2645 72.9187 172.6757 115 Y 4.7894 8.8497 120.1916 56.5369 40.9608 173.9592 116 R 4.7941 8.8593 126.0322 54.2725 31.8042 175.4994 117 S 4.6897 9.1632 121.7941 59.4193 62.8032 175.0417 118 R 3.9350 8.5443 127.5482 58.9768 30.0348 177.8577 119 K 3.7282 7.9544 119.3061 58.9979 32.5185 177.3844 120 Y 4.2935 7.4495 121.7071 55.7460 36.3404 176.5519 121 T 4.2682 8.2867 111.5305 62.3670 69.0207 175.4065 122 S 4.6954 7.7132 114.5352 57.7417 64.3761 173.3899 123 W 5.3663 8.2566 122.4066 55.8567 30.8675 174.8407 124 Y 5.3046 8.9553 121.6532 56.0606 39.9271 175.7823 125 V 4.0058 9.1862 122.9367 63.1969 33.0821 174.8811 126 A 5.0268 8.4630 127.2448 51.4903 22.9206 174.4559 127 L 5.1820 8.5830 120.9877 53.4798 45.2074 178.3980 128 K 4.1865 9.7250 128.1720 54.6536 32.3335 177.0575 129 R 4.3079 8.4040 117.4539 59.0454 29.4237 179.1091 130 T 4.1095 7.6007 105.6921 63.4960 69.4712 175.6175 131 G 2.5233 7.5464 109.2081 44.6225 0.0000 173.3363 132 Q 4.5567 7.4524 118.9380 54.1409 30.3006 174.7713 133 Y 4.8833 8.2270 121.2367 57.7222 39.3414 175.4938 134 K 4.6213 8.4358 122.6476 52.8686 34.8167 175.7399 135 L 4.0246 8.8126 124.3827 54.5467 42.2324 178.6079 136 G 3.7271 8.9858 113.4576 48.6534 0.0000 175.7719 137 S 2.9994 6.3376 112.8428 59.7596 62.8461 174.9439 138 K 4.3717 7.8804 119.4793 56.0531 32.0340 175.8723 139 T 4.7830 6.9334 108.9853 59.5435 71.1312 173.8837 140 G 4.3390 8.1093 109.3766 43.5222 0.0000 172.1105 141 P 3.8305 0.0000 0.0000 65.6079 30.9741 177.9788 142 G 3.6555 7.8756 105.5269 46.9735 0.0000 173.6790 143 Q 4.0802 7.7898 119.5434 56.2071 29.4777 176.8501 144 K 4.2372 8.2578 118.3670 56.5502 33.4280 177.8353 145 A 4.0605 7.7306 121.1275 54.6103 18.6285 178.4323 146 I 4.5749 7.3846 106.4968 60.2410 38.3906 175.1923 147 L 4.6663 7.1607 121.9375 54.0132 42.7416 175.6321 148 F 5.5302 9.5725 122.8931 55.6416 43.1080 174.0364 149 L 5.2543 9.6946 125.5201 52.5212 44.0923 173.7489 150 P 5.1383 0.0000 0.0000 63.3594 32.2482 175.5174 151 M 5.0283 9.2870 121.7228 53.2741 36.7500 174.7801 152 S 4.5282 8.7597 114.7690 57.7855 63.5514 173.5387 153 A 4.3395 8.3684 128.6058 53.0373 18.7908 178.3837 154 K 4.1783 7.5620 127.1642 55.7825 32.2452 177.2001 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 21 F 8.32 4.62 0.00 3.05 3.13 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 0.00 0.00 0.00 0.00 22 P 0.00 4.18 0.00 2.19 2.04 0.00 3.89 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 2.08 2.15 0.00 23 P 0.00 3.79 0.00 2.20 2.06 0.00 3.83 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 2.03 2.03 0.00 24 G 6.79 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 0.00 0.00 0.00 0.00 25 H 8.58 4.90 0.00 3.10 3.24 0.00 5.70 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 F 8.78 4.30 0.00 3.11 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 27 K 6.92 4.19 0.00 1.75 1.46 0.00 1.43 0.00 0.00 1.37 0.00 0.00 2.57 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.16 1.29 7.81 28 D 7.70 4.50 0.00 2.81 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 29 P 0.00 4.66 0.00 2.05 2.03 0.00 3.69 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.98 0.00 30 K 9.47 4.92 0.00 1.68 1.90 0.00 1.70 0.00 0.00 1.74 0.00 0.00 2.93 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.40 1.60 7.81 31 R 9.09 5.13 0.00 1.84 1.97 0.00 2.27 0.00 0.00 2.82 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.34 0.00 32 L 8.68 5.03 0.00 1.61 1.73 0.32 0.97 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 33 Y 9.12 4.54 0.00 3.02 3.03 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 34 C 8.47 4.31 0.00 2.49 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 35 K 8.60 3.74 0.00 1.79 1.74 0.00 1.87 0.00 0.00 1.63 0.00 0.00 2.91 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.40 1.28 7.81 36 N 7.47 4.29 0.00 2.65 2.69 0.00 0.00 7.12 7.98 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 37 G 8.37 3.73 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 0.00 0.00 0.00 38 G 6.99 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 0.00 0.00 0.00 39 F 7.27 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 40 F 9.82 5.13 0.00 3.09 3.04 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 41 L 9.30 4.56 0.00 1.91 1.60 0.93 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 42 R 9.75 4.89 0.00 1.87 2.05 0.00 3.03 0.00 0.00 3.36 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 1.63 0.00 43 I 8.52 4.72 1.81 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.72 0.86 0.00 0.00 44 H 9.16 4.34 0.00 3.37 3.33 0.00 5.63 0.00 0.00 0.00 0.00 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 P 0.00 4.16 0.00 2.01 2.09 0.00 3.60 0.00 0.00 3.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.91 0.00 46 D 8.10 4.62 0.00 2.77 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 47 G 8.39 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 48 R 7.69 4.31 0.00 1.92 1.94 0.00 3.00 0.00 0.00 3.23 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.78 0.00 49 V 7.93 4.88 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 0.80 0.00 0.00 0.92 0.00 0.00 50 D 8.45 4.67 0.00 2.91 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 51 G 8.62 4.56 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 0.00 0.00 0.00 52 V 8.98 5.05 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 0.89 0.00 0.00 1.18 0.00 0.00 53 R 8.88 4.08 0.00 1.83 1.98 0.00 3.02 0.00 0.00 2.92 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.44 0.00 54 E 8.31 4.19 0.00 2.11 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 2.40 2.38 0.00 55 K 8.72 3.44 0.00 1.81 1.74 0.00 1.86 0.00 0.00 1.63 0.00 0.00 2.86 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.37 1.02 7.81 56 S 8.50 4.22 0.00 3.80 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 57 D 8.18 4.32 0.00 2.79 2.61 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 58 P 0.00 4.17 0.00 2.08 2.07 0.00 3.70 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 1.59 1.84 0.00 59 H 9.74 4.85 0.00 3.09 3.45 0.00 5.56 0.00 0.00 0.00 0.00 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 I 7.30 4.49 1.91 0.00 0.00 0.50 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 1.25 1.02 0.00 0.00 61 K 7.85 4.25 0.00 1.47 1.76 0.00 1.74 0.00 0.00 1.82 0.00 0.00 2.78 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.44 1.04 7.81 62 L 9.39 5.21 0.00 1.48 1.48 0.83 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 63 Q 8.96 4.69 0.00 2.06 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.88 0.00 0.00 0.00 0.00 0.00 2.23 2.36 0.00 64 L 8.58 5.05 0.00 1.66 1.67 0.84 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 65 Q 8.78 4.66 0.00 2.26 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 7.02 0.00 0.00 0.00 0.00 0.00 2.37 2.47 0.00 66 A 8.88 4.66 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 67 E 8.88 4.33 0.00 1.97 1.70 0.00 0.00 0.00 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 1.98 0.00 68 E 7.69 4.61 0.00 2.06 1.88 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 2.05 2.17 0.00 69 R 8.71 3.85 0.00 1.79 1.94 0.00 3.37 0.00 0.00 3.23 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.68 0.00 70 G 9.04 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 V 7.93 4.93 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 0.86 0.00 0.00 0.63 0.00 0.00 72 V 9.07 5.39 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 0.86 0.00 0.00 1.22 0.00 0.00 73 S 9.12 5.45 0.00 3.81 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 74 I 8.40 4.64 1.79 0.00 0.00 0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.89 0.71 0.00 0.00 75 K 8.77 4.49 0.00 1.27 1.41 0.00 0.83 0.00 0.00 1.39 0.00 0.00 2.69 0.00 0.00 2.44 0.00 0.00 0.00 0.00 0.98 0.65 7.81 76 G 8.82 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 77 V 8.52 3.56 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 0.76 0.00 0.00 0.91 0.00 0.00 78 S 7.91 4.15 0.00 3.98 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 A 8.04 3.93 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 80 N 7.66 4.10 0.00 2.76 2.81 0.00 0.00 6.94 7.57 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 81 R 7.44 4.91 0.00 1.70 1.75 0.00 3.23 0.00 0.00 3.44 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.82 0.00 82 Y 9.07 4.99 0.00 2.81 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 83 L 9.20 4.60 0.00 1.65 1.58 0.80 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 84 A 9.24 5.25 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 M 8.82 5.13 0.00 2.43 2.31 0.00 0.00 0.00 0.00 0.00 2.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 2.72 0.00 86 K 9.13 4.62 0.00 1.73 1.68 0.00 1.90 0.00 0.00 1.68 0.00 0.00 2.89 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.37 1.25 7.81 87 E 9.28 3.49 0.00 1.97 1.94 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 2.24 1.87 0.00 88 D 7.97 4.55 0.00 2.78 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 89 G 8.75 3.73 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 0.00 0.00 0.00 90 R 8.25 4.54 0.00 1.55 1.82 0.00 3.23 0.00 0.00 3.17 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.48 0.00 91 L 6.71 5.13 0.00 0.30 1.19 0.84 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 92 L 8.73 4.65 0.00 1.84 1.69 0.93 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 93 A 9.20 5.27 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 94 S 8.94 4.83 0.00 3.94 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 K 8.88 4.29 0.00 1.80 1.77 0.00 1.75 0.00 0.00 1.63 0.00 0.00 2.91 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.36 1.00 7.81 96 S 7.70 4.75 0.00 3.78 3.73 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 97 V 8.04 3.17 1.71 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 0.57 0.00 0.00 -0.61 0.00 0.00 98 T 7.80 4.70 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 1.19 0.00 0.00 99 D 8.61 4.88 0.00 2.77 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 0.00 100 E 8.26 4.35 0.00 2.03 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.22 0.00 101 C 7.26 4.73 0.00 2.10 2.48 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 0.00 102 F 7.06 4.98 0.00 2.65 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 0.00 103 F 9.03 5.31 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 0.00 104 F 9.81 4.81 0.00 3.07 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 0.00 105 E 9.37 4.73 0.00 2.20 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 2.27 1.99 0.00 106 R 8.48 4.59 0.00 2.00 1.74 0.00 3.20 0.00 0.00 3.12 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.62 0.00 107 L 8.57 4.99 0.00 1.71 1.62 1.05 1.00 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 0.00 108 E 9.13 4.31 0.00 2.37 1.91 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 2.51 2.43 0.00 109 S 8.58 4.12 0.00 3.99 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 0.00 110 N 8.17 4.64 0.00 3.02 3.04 0.00 0.00 6.13 8.04 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 0.00 111 N 8.42 4.34 0.00 2.80 2.88 0.00 0.00 6.74 8.32 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 0.00 112 Y 8.19 4.81 0.00 3.07 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 0.00 113 N 9.91 5.66 0.00 2.98 2.51 0.00 0.00 6.90 6.93 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 0.00 114 T 8.59 5.21 4.50 0.00 0.00 0.00 0.00 0.00 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 0.00 115 Y 8.85 4.79 0.00 2.79 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 0.00 116 R 8.86 4.79 0.00 1.69 1.94 0.00 3.08 0.00 0.00 2.70 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.99 0.00 117 S 9.16 4.69 0.00 4.31 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 0.00 118 R 8.54 3.94 0.00 1.21 1.63 0.00 3.04 0.00 0.00 2.52 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.16 0.00 119 K 7.95 3.73 0.00 1.50 1.05 0.00 1.40 0.00 0.00 1.58 0.00 0.00 2.86 0.00 0.00 2.90 0.00 0.00 0.00 0.00 0.34 0.41 7.81 120 Y 7.45 4.29 0.00 2.93 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 T 8.29 4.27 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 1.26 0.00 0.00 122 S 7.71 4.70 0.00 4.12 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 W 8.26 5.37 0.00 3.57 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 0.00 124 Y 8.96 5.30 0.00 2.96 3.03 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 0.00 125 V 9.19 4.01 2.02 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 0.63 0.00 0.00 0.43 0.00 0.00 126 A 8.46 5.03 1.36 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 0.00 127 L 8.58 5.18 0.00 1.48 1.47 1.04 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 128 K 9.73 4.19 0.00 1.55 1.68 0.00 1.81 0.00 0.00 1.68 0.00 0.00 2.89 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.37 1.25 7.81 129 R 8.40 4.31 0.00 1.82 1.88 0.00 3.23 0.00 0.00 3.28 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.19 0.00 130 T 7.60 4.11 4.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 131 G 7.55 2.52 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 0.00 0.00 0.00 0.00 132 Q 7.45 4.56 0.00 1.91 1.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.08 6.80 0.00 0.00 0.00 0.00 0.00 2.16 2.26 0.00 133 Y 8.23 4.88 0.00 3.05 2.98 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 0.00 134 K 8.44 4.62 0.00 1.56 1.59 0.00 1.84 0.00 0.00 1.70 0.00 0.00 2.83 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.26 1.24 7.81 135 L 8.81 4.02 0.00 1.45 1.42 0.83 0.94 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 0.00 136 G 8.99 3.73 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 0.00 0.00 0.00 137 S 6.34 3.00 0.00 3.66 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 0.00 138 K 7.88 4.37 0.00 1.74 1.79 0.00 1.60 0.00 0.00 1.67 0.00 0.00 2.97 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.31 1.21 7.81 139 T 6.93 4.78 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 1.41 0.00 0.00 140 G 8.11 4.34 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 0.00 141 P 0.00 3.83 0.00 2.17 2.27 0.00 3.84 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.06 0.00 142 G 7.88 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 0.00 0.00 0.00 143 Q 7.79 4.08 0.00 2.21 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.86 6.58 0.00 0.00 0.00 0.00 0.00 2.34 2.34 0.00 144 K 8.26 4.24 0.00 1.64 1.66 0.00 1.61 0.00 0.00 1.73 0.00 0.00 2.80 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.26 1.21 7.81 145 A 7.73 4.06 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 0.00 146 I 7.38 4.57 1.91 0.00 0.00 0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.09 0.94 0.00 0.00 147 L 7.16 4.67 0.00 1.22 1.10 0.58 0.88 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 0.00 148 F 9.57 5.53 0.00 3.34 3.18 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 0.00 0.00 0.00 0.00 149 L 9.69 5.25 0.00 1.97 1.77 0.70 0.49 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 0.00 150 P 0.00 5.14 0.00 2.24 2.22 0.00 3.89 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.14 0.00 151 M 9.29 5.03 0.00 2.02 2.14 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.90 2.51 0.00 152 S 8.76 4.53 0.00 3.90 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 0.00 153 A 8.37 4.34 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 0.00 154 K 7.56 4.18 0.00 1.94 1.63 0.00 1.84 0.00 0.00 1.74 0.00 0.00 2.98 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.30 1.23 7.81