NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 M 4.4415 8.3044 118.1951 55.1253 32.5488 174.3073 1 V 4.2305 7.9157 118.6097 60.6410 34.2254 173.6563 2 L 4.2540 8.3558 127.7140 54.0727 43.4730 177.0530 3 S 4.4847 8.7193 117.5806 57.8324 65.2101 175.1221 4 E 4.2963 8.8802 122.7993 59.5202 29.1891 179.0536 5 G 3.6892 8.1554 105.2954 47.9180 0.0000 175.3866 6 E 3.9017 8.0185 120.3528 58.9660 29.5256 179.3607 7 W 4.4277 8.0484 118.9373 59.9801 28.9816 178.5694 8 Q 4.1959 8.5253 118.1407 59.0102 28.0094 178.8558 9 L 4.0545 7.8426 120.0519 57.5950 41.5818 179.7682 10 V 3.7349 7.7982 118.1783 66.2657 31.6619 178.2166 11 L 4.2547 8.7086 118.7595 57.4667 41.0017 178.9887 12 H 4.1937 8.6271 119.0603 59.3581 29.8536 177.5111 13 V 3.4763 7.7949 120.2299 65.6693 31.3596 177.8086 14 W 4.0203 8.6581 128.1065 60.2036 30.2760 177.7896 15 A 4.0072 8.0251 120.1774 54.8167 17.9930 179.5108 16 K 3.9508 7.3118 117.0044 59.4484 32.1945 179.4946 17 V 2.8816 7.2189 118.4733 65.9083 31.0104 177.6939 18 E 3.8622 7.6207 115.9455 58.1382 29.3174 178.5911 19 A 4.1738 7.4563 120.5288 53.9297 20.0008 177.6475 20 D 4.6615 7.8558 116.4897 52.2411 42.7073 175.5797 21 V 3.4424 7.8301 123.0152 65.5535 32.1032 176.7487 22 A 4.0414 7.9836 120.2215 55.0578 18.2720 179.7074 23 G 3.7844 8.3418 105.5378 47.7962 0.0000 175.7316 24 H 4.1523 8.2575 119.1148 58.2645 28.7062 177.9639 25 G 3.6455 8.2332 107.8117 47.8689 0.0000 175.2345 26 Q 3.8558 7.9651 122.1093 59.0126 29.0056 178.1248 27 D 4.2768 7.9087 119.6699 57.4643 40.7804 179.0982 28 I 3.6322 7.8793 120.2583 64.4789 37.1370 178.6381 29 L 3.4829 7.7808 119.6995 57.4449 41.1997 179.6902 30 I 3.6457 7.7498 120.1705 64.0463 36.9092 178.3609 31 R 3.7536 8.0610 119.8477 59.2295 29.8585 178.0752 32 L 3.8899 7.8100 120.2568 58.5295 41.8899 179.1553 33 F 4.5455 7.8599 117.4332 60.4154 38.5486 177.9938 34 K 4.0275 8.2073 117.9399 59.4900 31.9747 179.2794 35 S 4.3131 8.1801 114.8021 60.2159 64.2127 174.4720 36 H 4.7239 8.3267 118.6283 52.0516 29.4486 171.8923 37 P 4.6796 0.0000 0.0000 64.4941 31.3507 177.5525 38 E 4.1236 8.2097 116.3824 59.3726 29.4627 179.0933 39 T 3.8181 8.1541 111.1397 64.4298 68.8292 176.3064 40 L 3.7606 7.9247 123.1524 57.8644 41.7736 178.5658 41 E 4.1700 7.8943 117.5842 58.5112 29.4401 178.5512 42 K 4.4824 8.1966 117.3307 56.7021 32.9840 176.9292 43 F 4.5228 8.2068 119.2026 55.3215 38.5016 175.6852 44 D 4.4043 8.6216 126.3333 57.2737 40.9220 178.7100 45 R 3.7841 7.8265 117.8623 58.3237 30.2311 176.6672 46 F 5.0420 7.8364 113.7419 56.5433 40.6266 176.6337 47 K 3.8145 8.3536 121.8651 59.4272 31.8990 176.9946 48 H 4.4630 8.1413 112.7365 57.2931 29.1213 175.6942 49 L 4.0646 7.5493 121.0549 54.9953 41.6047 176.8418 50 K 4.3199 9.1001 123.7772 57.5710 33.3373 177.3586 51 T 4.7268 7.2864 107.3260 58.7443 73.2490 174.0611 52 E 3.8490 8.7805 121.7920 59.6210 29.5217 178.9294 53 A 3.9825 7.9456 120.0843 55.3712 18.2535 179.3544 54 E 3.9769 7.9083 115.9940 59.5354 29.8947 179.1023 55 M 4.1430 8.2233 119.0274 58.4115 31.8178 178.9532 56 K 3.9596 8.4563 117.4863 59.1631 32.3115 178.6638 57 A 4.3381 7.6178 118.4276 52.1716 18.7845 177.2080 58 S 4.3225 7.3973 113.4668 57.5652 62.8795 174.7644 59 E 4.0380 8.8320 128.2903 59.3459 29.2454 178.6559 60 D 4.4263 8.1344 117.9074 57.1462 41.3187 177.8998 61 L 3.3766 7.5608 120.2452 57.7129 42.0984 178.8791 62 K 3.8814 7.7994 119.7561 59.3392 32.2628 178.9861 63 K 4.0130 8.2839 118.9477 59.8194 32.0215 178.8656 64 H 4.4469 8.8709 119.0689 59.1548 29.7880 177.5593 65 G 3.5910 8.4086 107.9118 47.5477 0.0000 175.8822 66 V 3.6245 7.7013 120.0757 66.1487 31.5329 178.2607 67 T 3.8863 7.8176 115.1385 66.5630 68.3119 176.7836 68 V 3.6047 7.7938 120.0090 66.2055 31.6560 178.1875 69 L 4.2741 8.1457 118.6234 57.8099 41.4324 179.6228 70 T 3.9383 8.3819 116.1027 66.6083 68.3123 176.4209 71 A 4.0199 8.0578 122.6212 55.1291 18.3455 179.4930 72 L 3.7489 8.1749 119.0138 58.1125 42.2036 179.3069 73 G 3.3756 8.6708 105.8473 47.7379 0.0000 175.5079 74 A 4.0306 7.8840 122.1401 54.7834 18.6668 179.6481 75 I 3.7859 7.4411 118.2621 64.6224 37.2741 178.6211 76 L 3.9675 7.8565 120.0985 57.6746 41.1550 179.5487 77 K 4.0107 7.5812 116.7153 58.3008 32.3338 178.8665 78 K 3.9392 7.8181 118.5335 56.3133 32.3674 176.7314 79 K 2.0000 8.2918 117.9843 56.5101 29.7972 175.6193 80 G 3.9811 8.0440 106.2727 45.8534 0.0000 174.2255 81 H 4.6372 7.3629 119.0498 55.3068 27.5344 174.8946 82 H 5.1863 7.6805 111.4785 54.1528 29.5508 176.1109 83 E 3.9890 8.5890 120.7556 60.2845 28.7560 178.9262 84 A 4.0170 7.9124 119.9681 54.8043 19.1850 179.0052 85 E 4.0708 8.1907 116.5988 59.3499 29.5449 179.0071 86 L 3.9850 8.0658 120.1520 57.2588 42.1228 179.1186 87 K 4.0021 7.7598 118.8125 59.0049 32.0912 177.5125 88 P 4.3738 0.0000 0.0000 65.3494 31.3534 178.2280 89 L 4.0314 7.4888 118.5803 58.0499 42.0390 178.6522 90 A 4.2224 8.2280 120.8460 55.2757 18.2366 179.4523 91 Q 3.8828 8.0757 118.3022 59.3466 29.1140 178.5878 92 S 3.8179 8.1353 115.3999 61.6913 63.1019 176.0335 93 H 4.3773 8.7418 119.2336 57.6728 28.2677 177.5667 94 A 2.8457 7.7648 122.1929 54.4785 18.7107 178.9106 95 T 3.9240 7.4824 112.2657 64.7794 69.2793 176.4277 96 K 3.8235 7.2787 120.2402 58.4302 32.5356 177.3189 97 F 4.6406 7.4158 114.5986 56.7213 40.1464 175.9390 98 K 3.1564 7.4652 118.3979 56.9902 28.6622 174.4522 99 I 4.3072 8.1834 118.5633 58.6483 38.1189 174.7928 100 P 4.5568 0.0000 0.0000 62.2040 32.1707 177.5811 101 I 3.6936 8.2511 120.8110 64.4342 36.8697 178.6491 102 K 3.7037 7.9357 120.0771 59.7553 31.9522 178.2332 103 Y 4.1864 7.9240 116.6451 60.7228 37.7822 178.0738 104 L 4.2463 7.9208 119.6476 57.4160 41.7895 179.1115 105 E 4.0053 8.1154 118.9609 59.3857 29.4755 179.1969 106 F 4.4989 7.9294 117.8258 60.8439 38.9772 177.6560 107 I 3.8882 8.2134 118.0456 63.9215 37.7451 178.1112 108 S 4.2106 8.1513 116.4919 61.4872 62.5547 176.1463 109 E 4.0288 8.5490 121.8689 59.2716 29.3926 178.7561 110 A 4.0147 8.1102 120.7331 55.0511 18.3658 179.7717 111 I 3.6723 8.0171 118.4286 64.7128 37.1833 178.7241 112 I 3.8195 7.9048 120.6809 64.5050 36.9214 177.9174 113 H 4.1108 8.6068 119.4420 59.4092 29.6406 177.5678 114 V 3.5696 7.8097 119.9424 65.8932 31.2748 177.9705 115 L 3.7821 7.8835 118.8413 57.8722 41.0808 178.8846 116 H 4.3470 7.9792 117.2463 59.5047 29.8772 177.2323 117 S 4.1566 7.8345 115.7539 61.5296 62.7895 176.3679 118 R 4.1288 7.9830 119.0528 57.2208 31.1011 176.3319 119 H 5.0437 8.3113 116.2809 53.9426 29.4116 173.2449 120 P 4.2758 0.0000 0.0000 65.8769 31.5173 178.8983 121 G 3.7213 8.0913 106.1128 47.2363 0.0000 173.5920 122 N 5.0759 8.3465 115.3200 52.8999 40.0439 174.4539 123 F 4.9288 7.8306 118.8357 56.4808 39.5940 174.2946 124 G 3.9045 7.6728 108.9464 43.8818 0.0000 172.0756 125 A 3.8978 8.3958 120.6407 55.4950 18.2956 179.7176 126 D 4.2166 7.9667 116.5803 57.3373 40.9078 178.7358 127 A 3.9526 7.7268 120.9550 54.9619 18.3955 179.3185 128 Q 3.1573 7.9697 118.7589 58.8545 29.0093 178.6386 129 G 3.4763 8.0904 106.6975 47.5678 0.0000 175.6174 130 A 3.8552 7.8725 123.1520 55.1187 18.4156 179.4402 131 M 3.9937 8.1884 116.8621 58.7182 32.3282 177.9284 132 N 4.3383 8.4312 117.5169 56.5179 39.0764 176.7811 133 K 3.8929 8.1819 120.8752 59.4210 32.2940 178.6773 134 A 3.8451 8.0082 121.1221 55.0637 18.1750 179.5750 135 L 4.1594 8.1423 117.4912 57.7091 41.6921 179.3773 136 E 4.0175 8.7195 119.2124 59.0960 29.3621 179.1084 137 L 3.9349 8.1670 120.4744 58.0987 42.2266 178.4228 138 F 4.1576 8.2782 120.6031 61.8175 39.1650 177.4341 139 R 3.5274 8.4305 117.6622 58.8724 29.7949 179.0123 140 K 3.8488 8.2962 119.8006 59.6611 32.3190 178.6986 141 D 4.3512 8.1117 119.1426 57.2884 40.6652 178.8566 142 I 3.4987 7.5902 120.2822 63.9009 37.0884 178.1857 143 A 3.7225 7.9971 121.8786 55.1058 18.2196 179.5821 144 A 3.9663 7.9162 119.2109 55.2144 18.4405 180.0885 145 K 4.0065 8.0030 116.8433 59.6793 32.0438 178.9965 146 Y 4.4543 8.4702 117.5677 61.3501 37.8756 179.1607 147 K 4.0179 8.0401 118.8598 59.6021 31.9716 179.3837 148 E 4.0645 7.9478 117.6308 59.0355 29.4593 178.6568 149 L 4.3339 7.8503 116.9971 55.2176 42.0019 177.6991 150 G 4.0125 7.8683 106.9801 45.4030 0.0000 172.9067 151 Y 4.3665 7.9165 118.1805 58.2227 40.8386 176.1614 152 Q 3.2391 7.7122 118.6921 56.9551 27.8784 173.9437 153 G 2.9999 6.2185 111.2307 45.4211 0.0000 172.9122 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 0 M 8.30 4.44 0.00 2.12 2.12 0.00 0.00 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.53 0.00 1 V 7.92 4.23 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 0.90 0.00 0.00 0.95 0.00 0.00 2 L 8.36 4.25 0.00 1.02 0.65 0.61 -0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 3 S 8.72 4.48 0.00 4.05 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 4 E 8.88 4.30 0.00 2.20 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 2.44 2.52 0.00 5 G 8.16 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 6 E 8.02 3.90 0.00 1.91 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 2.21 2.25 0.00 7 W 8.05 4.43 0.00 3.61 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 8 Q 8.53 4.20 0.00 2.35 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.81 0.00 0.00 0.00 0.00 0.00 2.46 2.75 0.00 9 L 7.84 4.05 0.00 1.83 1.74 0.89 1.06 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 10 V 7.80 3.73 2.45 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 1.18 0.00 0.00 0.92 0.00 0.00 11 L 8.71 4.25 0.00 1.81 1.81 0.94 1.03 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 12 H 8.63 4.19 0.00 3.41 3.54 0.00 5.78 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 V 7.79 3.48 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 0.89 0.00 0.00 1.41 0.00 0.00 14 W 8.66 4.02 0.00 3.63 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 15 A 8.03 4.01 1.38 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 0.00 0.00 0.00 16 K 7.31 3.95 0.00 1.39 1.70 0.00 1.66 0.00 0.00 1.49 0.00 0.00 2.73 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.48 1.47 7.81 17 V 7.22 2.88 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 0.00 0.00 -0.15 0.00 0.00 0.48 0.00 0.00 18 E 7.62 3.86 0.00 1.99 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 2.22 2.02 0.00 19 A 7.46 4.17 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 20 D 7.86 4.66 0.00 2.70 2.51 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 21 V 7.83 3.44 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 1.03 0.00 0.00 0.82 0.00 0.00 22 A 7.98 4.04 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 23 G 8.34 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 0.00 0.00 0.00 24 H 8.26 4.15 0.00 3.09 3.23 0.00 5.83 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 25 G 8.23 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 0.00 0.00 0.00 26 Q 7.97 3.86 0.00 2.24 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.73 0.00 0.00 0.00 0.00 0.00 2.29 2.33 0.00 27 D 7.91 4.28 0.00 2.82 2.63 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 28 I 7.88 3.63 1.89 0.00 0.00 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 1.51 0.65 0.88 0.00 0.00 29 L 7.78 3.48 0.00 1.37 0.98 0.77 0.42 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 30 I 7.75 3.65 1.84 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 1.37 0.73 0.88 0.00 0.00 31 R 8.06 3.75 0.00 1.90 2.13 0.00 3.02 0.00 0.00 2.98 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.63 0.00 32 L 7.81 3.89 0.00 1.66 1.42 1.05 1.26 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 33 F 7.86 4.55 0.00 3.01 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 34 K 8.21 4.03 0.00 1.76 1.82 0.00 1.79 0.00 0.00 1.66 0.00 0.00 2.97 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.46 1.48 7.81 35 S 8.18 4.31 0.00 3.77 3.58 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 36 H 8.33 4.72 0.00 2.85 2.69 0.00 5.63 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 P 0.00 4.68 0.00 2.15 2.10 0.00 3.82 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 1.98 0.00 38 E 8.21 4.12 0.00 2.29 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 0.00 2.29 2.54 0.00 39 T 8.15 3.82 4.47 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 0.86 0.00 0.00 40 L 7.92 3.76 0.00 1.43 1.73 -0.01 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 41 E 7.89 4.17 0.00 2.18 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 2.40 2.55 0.00 42 K 8.20 4.48 0.00 1.89 1.74 0.00 1.90 0.00 0.00 1.78 0.00 0.00 3.17 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.75 1.99 7.81 43 F 8.21 4.52 0.00 3.23 2.91 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 44 D 8.62 4.40 0.00 2.62 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 45 R 7.83 3.78 0.00 1.31 0.66 0.00 3.01 0.00 0.00 2.84 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 1.40 0.00 46 F 7.84 5.04 0.00 2.90 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 47 K 8.35 3.81 0.00 1.84 1.90 0.00 1.86 0.00 0.00 1.93 0.00 0.00 3.11 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.44 1.64 7.81 48 H 8.14 4.46 0.00 3.31 3.40 0.00 5.59 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 L 7.55 4.06 0.00 1.52 1.56 0.82 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 50 K 9.10 4.32 0.00 1.71 1.84 0.00 1.64 0.00 0.00 1.75 0.00 0.00 3.03 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.39 1.47 7.81 51 T 7.29 4.73 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 1.20 0.00 0.00 52 E 8.78 3.85 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 2.36 2.37 0.00 53 A 7.95 3.98 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 54 E 7.91 3.98 0.00 2.09 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 0.00 2.34 2.33 0.00 55 M 8.22 4.14 0.00 2.03 2.25 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.77 2.54 0.00 56 K 8.46 3.96 0.00 1.86 1.84 0.00 1.77 0.00 0.00 1.68 0.00 0.00 2.99 0.00 0.00 3.21 0.00 0.00 0.00 0.00 1.43 1.42 7.81 57 A 7.62 4.34 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 58 S 7.40 4.32 0.00 4.02 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 59 E 8.83 4.04 0.00 2.05 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 0.00 2.41 2.32 0.00 60 D 8.13 4.43 0.00 2.96 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 L 7.56 3.38 0.00 1.39 1.54 -0.31 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 62 K 7.80 3.88 0.00 1.77 1.92 0.00 1.66 0.00 0.00 1.62 0.00 0.00 2.92 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.42 1.44 7.81 63 K 8.28 4.01 0.00 2.09 1.91 0.00 1.77 0.00 0.00 1.62 0.00 0.00 2.92 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.49 1.69 7.81 64 H 8.87 4.45 0.00 3.51 3.56 0.00 5.78 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 65 G 8.41 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.70 3.62 2.27 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 1.13 0.00 0.00 0.96 0.00 0.00 67 T 7.82 3.89 4.45 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 1.29 0.00 0.00 68 V 7.79 3.60 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 1.09 0.00 0.00 0.95 0.00 0.00 69 L 8.15 4.27 0.00 1.85 1.83 0.88 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 70 T 8.38 3.94 4.45 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 1.26 0.00 0.00 71 A 8.06 4.02 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 0.00 0.00 0.00 0.00 0.00 0.00 72 L 8.17 3.75 0.00 1.70 1.63 0.18 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 73 G 8.67 3.38 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 0.00 0.00 0.00 0.00 74 A 7.88 4.03 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 75 I 7.44 3.79 1.84 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 1.55 0.86 0.90 0.00 0.00 76 L 7.86 3.97 0.00 1.19 1.54 -0.17 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 77 K 7.58 4.01 0.00 1.67 1.79 0.00 1.83 0.00 0.00 1.72 0.00 0.00 3.14 0.00 0.00 3.25 0.00 0.00 0.00 0.00 1.46 1.46 7.81 78 K 7.82 3.94 0.00 1.85 1.81 0.00 1.76 0.00 0.00 1.61 0.00 0.00 3.17 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.64 1.60 7.81 79 K 8.29 2.00 0.00 1.29 0.74 0.00 1.45 0.00 0.00 1.42 0.00 0.00 2.72 0.00 0.00 2.97 0.00 0.00 0.00 0.00 0.30 0.69 7.81 80 G 8.04 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 81 H 7.36 4.64 0.00 3.19 3.23 0.00 5.80 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 H 7.68 5.19 0.00 3.29 3.45 0.00 5.66 0.00 0.00 0.00 0.00 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 E 8.59 3.99 0.00 2.20 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 0.00 2.39 2.36 0.00 84 A 7.91 4.02 1.33 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 85 E 8.19 4.07 0.00 2.27 2.05 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 2.41 2.44 0.00 86 L 8.07 3.98 0.00 2.01 1.67 0.98 0.35 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 87 K 7.76 4.00 0.00 2.00 1.86 0.00 1.74 0.00 0.00 1.72 0.00 0.00 2.99 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.48 1.69 7.81 88 P 0.00 4.37 0.00 2.31 2.33 0.00 3.77 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 2.12 2.05 0.00 89 L 7.49 4.03 0.00 1.87 1.91 1.10 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 90 A 8.23 4.22 1.50 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 0.00 0.00 0.00 91 Q 8.08 3.88 0.00 2.16 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.76 0.00 0.00 0.00 0.00 0.00 2.28 2.31 0.00 92 S 8.14 3.82 0.00 3.90 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 0.00 93 H 8.74 4.38 0.00 3.65 3.70 0.00 5.80 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 94 A 7.76 2.85 0.84 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 95 T 7.48 3.92 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 1.07 0.00 0.00 96 K 7.28 3.82 0.00 1.23 1.04 0.00 0.66 0.00 0.00 1.50 0.00 0.00 2.80 0.00 0.00 2.72 0.00 0.00 0.00 0.00 0.71 1.12 7.81 97 F 7.42 4.64 0.00 2.92 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 98 K 7.47 3.16 0.00 1.76 1.74 0.00 1.46 0.00 0.00 1.61 0.00 0.00 2.98 0.00 0.00 2.72 0.00 0.00 0.00 0.00 1.23 1.24 7.81 99 I 8.18 4.31 2.14 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 1.64 1.01 1.17 0.00 0.00 100 P 0.00 4.56 0.00 1.97 2.03 0.00 3.20 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 1.46 0.00 101 I 8.25 3.69 1.81 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 1.44 1.05 0.82 0.00 0.00 102 K 7.94 3.70 0.00 1.73 1.64 0.00 1.66 0.00 0.00 1.75 0.00 0.00 3.11 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.41 0.81 7.81 103 Y 7.92 4.19 0.00 3.27 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 0.00 104 L 7.92 4.25 0.00 1.85 1.81 0.77 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 105 E 8.12 4.01 0.00 2.10 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 0.00 2.33 2.45 0.00 106 F 7.93 4.50 0.00 3.18 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 0.00 107 I 8.21 3.89 2.02 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.38 1.09 0.00 0.00 108 S 8.15 4.21 0.00 4.20 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 0.00 109 E 8.55 4.03 0.00 2.17 2.28 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 2.38 2.41 0.00 110 A 8.11 4.01 1.43 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 0.00 0.00 111 I 8.02 3.67 2.10 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 0.77 1.03 0.00 0.00 112 I 7.90 3.82 2.12 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.85 1.14 0.00 0.00 113 H 8.61 4.11 0.00 3.34 3.50 0.00 5.78 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 0.00 114 V 7.81 3.57 2.05 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 0.99 0.00 0.00 0.99 0.00 0.00 115 L 7.88 3.78 0.00 0.61 0.57 0.78 0.70 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 0.00 116 H 7.98 4.35 0.00 3.46 3.64 0.00 5.95 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 S 7.83 4.16 0.00 3.90 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 0.00 118 R 7.98 4.13 0.00 1.59 1.62 0.00 3.11 0.00 0.00 2.96 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.59 0.00 119 H 8.31 5.04 0.00 3.19 3.21 0.00 5.63 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 0.00 120 P 0.00 4.28 0.00 2.21 2.27 0.00 3.75 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 1.94 0.00 121 G 8.09 3.72 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 0.00 0.00 0.00 122 N 8.35 5.08 0.00 2.77 2.92 0.00 0.00 6.65 7.06 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 0.00 123 F 7.83 4.93 0.00 2.99 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 0.00 124 G 7.67 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 0.00 125 A 8.40 3.90 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 0.00 126 D 7.97 4.22 0.00 2.65 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 0.00 127 A 7.73 3.95 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 0.00 128 Q 7.97 3.16 0.00 1.26 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.75 0.00 0.00 0.00 0.00 0.00 2.22 2.21 0.00 129 G 8.09 3.48 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 0.00 130 A 7.87 3.86 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 0.00 131 M 8.19 3.99 0.00 2.41 2.36 0.00 0.00 0.00 0.00 0.00 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.76 2.90 0.00 132 N 8.43 4.34 0.00 2.88 2.92 0.00 0.00 6.84 7.09 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 0.00 133 K 8.18 3.89 0.00 1.91 1.73 0.00 1.50 0.00 0.00 1.53 0.00 0.00 2.88 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.30 1.37 7.81 134 A 8.01 3.85 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 0.00 135 L 8.14 4.16 0.00 1.90 1.82 0.99 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 136 E 8.72 4.02 0.00 2.15 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 0.00 2.35 2.58 0.00 137 L 8.17 3.93 0.00 1.85 1.95 1.03 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 138 F 8.28 4.16 0.00 3.18 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 0.00 139 R 8.43 3.53 0.00 1.95 1.86 0.00 3.17 0.00 0.00 3.32 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.98 0.00 140 K 8.30 3.85 0.00 1.84 2.00 0.00 1.62 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.41 1.45 7.81 141 D 8.11 4.35 0.00 2.80 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 0.00 142 I 7.59 3.50 1.27 0.00 0.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 -0.16 0.10 0.00 0.00 143 A 8.00 3.72 1.26 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 0.00 0.00 144 A 7.92 3.97 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 0.00 145 K 8.00 4.01 0.00 1.97 1.92 0.00 1.72 0.00 0.00 1.66 0.00 0.00 2.95 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.78 1.61 7.81 146 Y 8.47 4.45 0.00 3.22 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 0.00 147 K 8.04 4.02 0.00 2.04 1.87 0.00 1.66 0.00 0.00 1.63 0.00 0.00 2.95 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.47 1.62 7.81 148 E 7.95 4.06 0.00 2.13 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 2.36 2.63 0.00 149 L 7.85 4.33 0.00 1.82 1.71 0.97 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 150 G 7.87 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 0.00 151 Y 7.92 4.37 0.00 2.61 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 0.00 152 Q 7.71 3.24 0.00 2.08 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.64 0.00 0.00 0.00 0.00 0.00 2.23 2.32 0.00 153 G 6.22 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 0.00 0.00 0.00