NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4594 8.2893 120.3271 54.8692 32.3510 174.8605 2 K 4.0355 8.1052 121.6426 55.0060 33.5912 175.2327 3 T 4.9430 8.3213 109.4809 59.9369 73.0957 173.8461 4 I 4.6256 8.6298 122.1156 59.2604 41.4597 173.8229 5 H 4.9995 9.1182 129.4217 55.9705 31.2401 174.0541 6 V 4.9372 8.9923 125.4595 59.9066 34.1884 174.2740 7 S 5.3075 9.0202 119.3187 56.3533 65.3370 172.4978 8 V 4.9190 9.0538 127.1442 61.3100 33.7777 174.5753 9 V 4.9895 8.9740 121.2777 59.8189 35.6645 174.7508 10 T 5.5917 8.2132 112.4099 58.0585 72.2979 172.9352 11 P 4.3746 0.0000 0.0000 65.2871 31.3115 177.5662 12 D 4.4263 7.6222 116.9179 54.3554 41.4803 174.5021 13 G 3.7368 8.1489 104.7097 43.1630 0.0000 171.1877 14 P 4.7282 0.0000 0.0000 63.1801 31.7268 176.3051 15 V 4.3199 8.9657 122.1603 64.2447 33.5468 175.2943 16 Y 4.8253 7.6387 119.1845 56.5013 42.2690 173.3995 17 E 4.9851 7.6629 124.5793 55.2316 33.5327 173.9020 18 D 4.2566 8.4186 122.7264 54.1079 45.9374 173.5239 19 D 5.4097 8.6970 120.3992 52.7539 42.4600 176.6939 20 V 4.5939 8.6488 115.7511 59.5048 35.6668 176.4994 21 E 4.3413 9.1594 122.0296 59.4786 30.1800 177.1660 22 M 4.7842 7.6230 116.4168 54.4388 35.9457 173.4116 23 V 4.8415 8.4771 124.8765 61.1879 34.5530 174.2010 24 S 5.3190 8.8973 123.7764 57.0136 65.8515 173.6431 25 V 4.6805 8.7680 116.0423 59.9619 36.9668 173.9731 26 K 4.7093 8.6070 123.7434 54.9976 33.3121 175.8039 27 A 4.7259 8.4429 131.2750 50.4481 20.0157 177.7930 28 K 3.9778 8.4413 121.1610 59.7219 32.1133 178.3500 29 S 4.1735 7.8584 111.6477 59.4197 63.7094 173.3868 30 G 3.9433 7.2746 107.2373 43.0439 0.0000 172.0728 31 E 4.4761 8.3554 121.1015 55.9720 30.3265 175.9357 32 L 4.7863 9.2500 125.5451 52.8188 45.2361 175.4793 33 G 4.2562 8.8030 110.6977 44.6335 0.0000 172.5366 34 I 4.5358 9.0158 128.0038 59.7351 38.9962 175.3794 35 L 4.9368 8.3549 126.6494 51.9366 44.7604 174.4297 36 P 4.2669 0.0000 0.0000 64.6029 31.6377 177.1889 37 G 3.9327 9.0740 110.3857 45.4419 0.0000 173.1649 38 H 4.4543 7.8094 120.4981 55.6958 30.9728 175.0630 39 I 4.4064 8.1066 118.0390 59.7923 38.7097 173.6532 40 P 5.0742 0.0000 0.0000 62.8305 32.0874 175.9215 41 L 4.4878 8.2923 122.8464 54.1027 45.7058 173.4843 42 V 5.0242 8.5589 125.7140 61.1656 33.5896 174.4331 43 A 4.9830 9.1592 129.1366 49.5235 22.9635 173.3575 44 P 4.3208 0.0000 0.0000 62.5073 33.0922 175.1277 45 L 5.0828 8.4678 121.6634 53.2335 44.6420 175.9809 46 E 4.4656 8.8282 121.8956 55.0342 31.3954 176.2553 47 I 4.0483 8.1612 121.9311 62.4716 37.6171 175.6384 48 S 4.6552 8.7844 121.0931 57.8377 66.7952 173.2225 49 A 5.0522 8.5691 121.1906 50.7028 20.5112 176.4552 50 A 4.6433 9.2913 124.1045 50.6289 21.1728 176.0253 51 R 4.3695 8.8255 123.5533 54.4603 32.3166 174.8222 52 L 4.7723 8.6766 127.5806 52.9081 43.6635 175.4247 53 K 4.5971 8.6132 127.0972 55.2065 33.7599 175.6197 54 K 4.6754 9.5182 129.6682 55.0202 35.4978 176.3248 55 G 3.7989 10.2537 119.2738 46.6857 0.0000 173.3713 56 G 4.3046 8.4133 109.7561 45.2880 0.0000 174.8650 57 K 4.2626 7.8060 119.3354 55.8520 32.8658 175.6127 58 T 4.8814 8.3226 112.9404 59.8990 70.9986 172.9207 59 Q 4.5307 8.8136 127.6398 54.7456 31.1658 173.5031 60 Y 5.1336 8.5625 123.2974 56.3036 41.0693 174.5366 61 I 4.9888 8.5254 123.5402 59.3282 41.1240 174.4371 62 A 4.4971 9.1976 129.5781 51.4735 19.9698 176.2247 63 V 4.4992 8.7465 122.9508 60.8590 34.1257 176.0481 64 S 4.7369 9.1228 128.1617 58.3570 60.4530 175.0208 65 G 3.8538 8.8647 110.6301 44.8649 0.0000 168.8624 66 G 4.1541 8.0884 102.4704 44.0641 0.0000 173.0395 67 F 5.2052 9.4887 120.9533 55.6257 43.9022 173.3713 68 L 5.0876 9.3461 124.2224 53.5029 44.4246 174.8893 69 E 5.0142 9.3432 125.7863 54.7981 32.5550 174.8305 70 V 4.6793 9.0297 125.5780 61.1810 34.1644 174.7993 71 R 4.9527 8.9351 125.2619 53.6058 34.1759 174.5551 72 P 4.8502 0.0000 0.0000 64.4812 31.7298 177.7328 73 D 4.9905 7.9673 115.9825 53.5707 41.0514 175.8176 74 K 5.1254 7.8434 118.1231 55.7225 36.4314 174.8872 75 V 4.8546 9.0294 122.9917 61.4579 34.6934 174.0709 76 T 5.1150 9.2182 124.3539 61.8381 71.6490 173.0213 77 I 4.6690 9.0925 127.4544 59.8772 39.3921 174.9247 78 L 4.9556 9.2411 129.2577 53.2847 42.5887 175.1325 79 A 5.2916 8.5923 126.1401 49.2903 20.9423 177.8112 80 Q 3.9569 8.9153 120.4736 58.7000 29.3784 177.0050 81 A 4.8791 7.6506 117.1106 50.5211 22.8498 175.0413 82 A 5.1666 8.3829 121.0998 50.7038 22.7552 175.5915 83 E 4.6875 9.2414 120.4375 54.2769 33.8277 175.8728 84 R 4.1956 8.8080 123.1235 56.0162 31.0934 177.2760 85 A 4.0287 8.9254 125.5121 55.5179 18.3990 179.6760 86 E 4.1769 8.1643 111.0201 58.2168 29.9647 176.9902 87 D 4.7089 8.0972 118.7444 54.2278 41.5803 176.4680 88 I 3.8156 7.3349 121.7356 60.8482 37.6964 175.8137 89 D 4.5633 8.5694 125.1051 53.2029 41.3572 176.8252 90 V 3.5512 8.2049 127.6108 65.8618 31.7659 177.2216 91 L 3.9059 7.9186 119.6403 58.1939 41.8432 178.7251 92 R 3.8551 8.3294 118.2253 59.5315 29.9666 178.4182 93 A 3.9918 7.9573 120.4157 54.9792 18.3684 179.7410 94 K 3.8836 8.3942 117.1411 59.5701 32.0748 179.3830 95 A 3.9963 8.1418 120.8081 55.0244 18.2013 179.5593 96 A 3.9003 8.2179 119.4065 55.0342 18.4468 179.6622 97 K 3.8264 8.3120 118.4496 59.9215 32.2725 178.9069 98 E 4.2256 8.2061 120.0609 58.7078 29.3452 179.3107 99 R 3.8379 8.2468 118.7314 59.3906 30.1532 178.4388 100 A 3.9967 8.1787 120.6220 55.2880 18.3604 179.4377 101 E 3.9894 8.3688 117.1172 59.5959 29.2712 179.8784 102 R 4.0466 7.9959 117.3190 59.2112 30.4189 178.9715 103 R 4.0437 8.0398 117.8050 59.2789 29.8685 179.1077 104 L 4.2954 8.1296 117.7558 58.0565 41.8081 179.3639 105 Q 4.2972 8.1071 115.7298 56.5811 28.6960 176.3141 106 S 4.4265 7.3577 115.6252 57.7527 62.6024 173.8276 107 Q 4.3163 8.6934 126.1162 56.7944 29.0620 176.4009 108 Q 4.3604 7.5397 117.6156 55.8077 30.4994 179.3864 109 D 4.8949 8.2832 117.9929 54.9098 40.3989 180.9588 110 D 4.7263 8.7429 123.2853 54.2318 36.7238 175.3075 111 I 3.5140 7.4231 125.8944 62.1648 38.4354 172.6683 112 D 4.2664 7.6359 122.8462 54.6667 38.5002 173.5431 113 F 4.2733 8.2785 123.4438 59.5126 39.5035 176.7682 114 K 3.8787 8.2346 118.9334 59.8958 31.9672 178.5962 115 R 4.1342 7.8724 116.3378 58.2524 30.2323 178.7672 116 A 4.0063 7.5943 120.4772 55.1459 18.3605 179.5182 117 E 3.9913 8.7475 117.6113 59.4662 29.4874 179.5738 118 L 4.0014 7.9342 118.5185 57.5976 41.7894 179.2615 119 A 3.9758 8.0887 120.7870 55.0620 18.2228 179.4485 120 L 3.8917 7.8497 118.4881 58.2454 42.1474 179.1885 121 K 3.8968 8.0630 118.3865 59.7124 32.0122 179.4365 122 R 3.8868 8.1913 117.9557 59.1305 29.8679 179.1033 123 A 3.9450 7.9166 120.1503 55.3396 18.4246 179.2199 124 M 3.9106 8.2079 116.9928 58.8149 32.1857 177.9256 125 N 4.2568 8.3576 117.1479 56.8150 39.0994 176.9958 126 R 3.9256 7.9792 119.4149 59.3064 29.9183 179.1066 127 L 3.9710 7.9679 117.9760 57.6696 41.4668 179.2221 128 S 4.3303 8.1988 113.1679 61.4245 62.3707 176.3874 129 V 3.4702 8.1135 121.0975 65.9279 31.1402 177.5443 130 A 4.1916 8.3240 120.8820 55.5310 17.9115 179.3210 131 E 4.0541 7.7212 114.2582 58.6470 29.4260 177.7026 132 M 4.3776 7.8409 118.1461 54.6068 32.2434 176.1732 133 K 4.2109 7.6629 124.5826 57.2244 32.7606 176.6662 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 1 M 8.29 4.46 0.00 2.03 2.12 0.00 0.00 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.48 0.00 2 K 8.11 4.04 0.00 1.95 1.82 0.00 1.52 0.00 0.00 1.74 0.00 0.00 3.00 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.41 1.49 7.81 3 T 8.32 4.94 4.35 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 1.25 0.00 0.00 4 I 8.63 4.63 1.89 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 1.85 0.97 0.00 0.00 5 H 9.12 5.00 0.00 3.34 3.19 0.00 5.77 0.00 0.00 0.00 0.00 6.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 V 8.99 4.94 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 0.99 0.00 0.00 0.95 0.00 0.00 7 S 9.02 5.31 0.00 3.99 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 8 V 9.05 4.92 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 0.95 0.00 0.00 0.94 0.00 0.00 9 V 8.97 4.99 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 0.72 0.00 0.00 1.02 0.00 0.00 10 T 8.21 5.59 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 1.27 0.00 0.00 11 P 0.00 4.37 0.00 2.07 2.18 0.00 3.72 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.14 0.00 12 D 7.62 4.43 0.00 2.65 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 G 8.15 3.74 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 0.00 0.00 0.00 14 P 0.00 4.73 0.00 2.07 2.03 0.00 3.66 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.10 0.00 15 V 8.97 4.32 2.24 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 0.79 0.00 0.00 1.04 0.00 0.00 16 Y 7.64 4.83 0.00 3.09 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 17 E 7.66 4.99 0.00 1.70 1.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.22 0.00 18 D 8.42 4.26 0.00 2.07 2.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 D 8.70 5.41 0.00 2.60 2.59 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 20 V 8.65 4.59 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.00 0.00 1.01 0.00 0.00 21 E 9.16 4.34 0.00 1.92 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 2.47 0.00 22 M 7.62 4.78 0.00 2.02 1.82 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 2.69 2.48 0.00 23 V 8.48 4.84 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 0.87 0.00 0.00 0.91 0.00 0.00 24 S 8.90 5.32 0.00 3.73 3.85 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 25 V 8.77 4.68 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 0.61 0.00 0.00 0.91 0.00 0.00 26 K 8.61 4.71 0.00 1.92 1.68 0.00 1.70 0.00 0.00 1.82 0.00 0.00 2.83 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.40 1.41 7.81 27 A 8.44 4.73 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 28 K 8.44 3.98 0.00 1.68 1.85 0.00 1.77 0.00 0.00 1.75 0.00 0.00 3.03 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.44 1.37 7.81 29 S 7.86 4.17 0.00 4.02 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 30 G 7.27 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 31 E 8.36 4.48 0.00 1.92 1.86 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 2.29 2.39 0.00 32 L 9.25 4.79 0.00 1.53 1.50 0.91 0.72 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 33 G 8.80 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 0.00 0.00 0.00 0.00 34 I 9.02 4.54 1.90 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 1.31 0.82 0.86 0.00 0.00 35 L 8.35 4.94 0.00 1.61 1.57 0.93 1.08 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 36 P 0.00 4.27 0.00 2.05 2.15 0.00 3.70 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.17 0.00 37 G 9.07 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 38 H 7.81 4.45 0.00 3.42 3.16 0.00 5.59 0.00 0.00 0.00 0.00 6.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 I 8.11 4.41 1.88 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.73 0.89 0.00 0.00 40 P 0.00 5.07 0.00 1.97 2.05 0.00 3.78 0.00 0.00 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 1.95 0.00 41 L 8.29 4.49 0.00 1.79 1.47 0.96 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 42 V 8.56 5.02 2.12 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 0.89 0.00 0.00 0.93 0.00 0.00 43 A 9.16 4.98 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 P 0.00 4.32 0.00 1.87 1.85 0.00 3.67 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.97 0.00 45 L 8.47 5.08 0.00 1.47 1.53 0.90 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 46 E 8.83 4.47 0.00 1.77 1.85 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 2.26 2.40 0.00 47 I 8.16 4.05 1.85 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.44 0.90 0.00 0.00 48 S 8.78 4.66 0.00 3.86 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 49 A 8.57 5.05 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 50 A 9.29 4.64 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 R 8.83 4.37 0.00 1.78 1.68 0.00 3.01 0.00 0.00 3.25 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.90 0.00 52 L 8.68 4.77 0.00 1.39 1.42 -0.04 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 53 K 8.61 4.60 0.00 1.77 1.63 0.00 1.56 0.00 0.00 1.54 0.00 0.00 2.78 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.37 1.34 7.81 54 K 9.52 4.68 0.00 1.80 1.60 0.00 1.89 0.00 0.00 1.68 0.00 0.00 2.84 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.34 1.56 7.81 55 G 10.25 3.80 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 0.00 0.00 0.00 56 G 8.41 4.30 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 0.00 57 K 7.81 4.26 0.00 2.04 1.74 0.00 1.63 0.00 0.00 1.71 0.00 0.00 2.99 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.46 1.38 7.81 58 T 8.32 4.88 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 1.11 0.00 0.00 59 Q 8.81 4.53 0.00 2.16 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.81 0.00 0.00 0.00 0.00 0.00 2.09 2.15 0.00 60 Y 8.56 5.13 0.00 2.97 2.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 I 8.53 4.99 1.78 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 1.05 0.76 0.89 0.00 0.00 62 A 9.20 4.50 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 63 V 8.75 4.50 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 1.00 0.00 0.00 0.97 0.00 0.00 64 S 9.12 4.74 0.00 3.82 3.80 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 65 G 8.86 3.85 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 0.00 0.00 0.00 66 G 8.09 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 67 F 9.49 5.21 0.00 2.98 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 68 L 9.35 5.09 0.00 1.72 1.67 0.92 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 69 E 9.34 5.01 0.00 2.02 1.84 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 2.23 2.36 0.00 70 V 9.03 4.68 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 0.93 0.00 0.00 0.86 0.00 0.00 71 R 8.94 4.95 0.00 1.90 1.76 0.00 3.22 0.00 0.00 3.17 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.73 0.00 72 P 0.00 4.85 0.00 2.18 2.15 0.00 3.86 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.19 0.00 73 D 7.97 4.99 0.00 2.82 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 74 K 7.84 5.13 0.00 1.89 1.94 0.00 1.26 0.00 0.00 1.58 0.00 0.00 2.79 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.35 1.40 7.81 75 V 9.03 4.85 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 0.97 0.00 0.00 0.93 0.00 0.00 76 T 9.22 5.12 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 1.24 0.00 0.00 77 I 9.09 4.67 1.89 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 1.23 0.80 0.92 0.00 0.00 78 L 9.24 4.96 0.00 1.68 1.69 0.96 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 79 A 8.59 5.29 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 80 Q 8.92 3.96 0.00 2.24 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.65 0.00 0.00 0.00 0.00 0.00 2.39 2.32 0.00 81 A 7.65 4.88 1.23 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 0.00 0.00 82 A 8.38 5.17 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 83 E 9.24 4.69 0.00 1.92 1.81 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 2.22 2.32 0.00 84 R 8.81 4.20 0.00 2.08 2.17 0.00 3.34 0.00 0.00 3.55 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.71 0.00 85 A 8.93 4.03 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 86 E 8.16 4.18 0.00 2.11 2.12 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 2.30 2.30 0.00 87 D 8.10 4.71 0.00 2.82 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 I 7.33 3.82 1.99 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.63 0.96 0.00 0.00 89 D 8.57 4.56 0.00 2.71 2.57 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 90 V 8.20 3.55 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 1.05 0.00 0.00 0.92 0.00 0.00 91 L 7.92 3.91 0.00 1.75 1.83 0.92 0.85 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 92 R 8.33 3.86 0.00 2.18 2.08 0.00 3.15 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.65 0.00 93 A 7.96 3.99 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 K 8.39 3.88 0.00 1.93 1.87 0.00 1.67 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.45 1.69 7.81 95 A 8.14 4.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 A 8.22 3.90 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 K 8.31 3.83 0.00 1.81 1.99 0.00 1.63 0.00 0.00 1.64 0.00 0.00 3.25 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.52 1.49 7.81 98 E 8.21 4.23 0.00 2.06 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 2.33 2.36 0.00 99 R 8.25 3.84 0.00 1.99 2.06 0.00 3.08 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.64 0.00 100 A 8.18 4.00 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 0.00 101 E 8.37 3.99 0.00 2.19 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 0.00 2.34 2.48 0.00 102 R 8.00 4.05 0.00 1.96 1.99 0.00 3.17 0.00 0.00 3.22 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.84 0.00 103 R 8.04 4.04 0.00 2.00 1.88 0.00 3.08 0.00 0.00 3.08 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.76 0.00 104 L 8.13 4.30 0.00 1.77 1.84 0.96 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 105 Q 8.11 4.30 0.00 2.16 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.85 0.00 0.00 0.00 0.00 0.00 2.42 2.39 0.00 106 S 7.36 4.43 0.00 3.86 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 0.00 107 Q 8.69 4.32 0.00 2.11 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.57 6.78 0.00 0.00 0.00 0.00 0.00 2.36 2.40 0.00 108 Q 7.54 4.36 0.00 2.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.89 0.00 0.00 0.00 0.00 0.00 2.41 2.41 0.00 109 D 8.28 4.89 0.00 2.69 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 0.00 0.00 0.00 110 D 8.74 4.73 0.00 2.78 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 0.00 111 I 7.42 3.51 1.40 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.66 -0.23 0.00 0.00 112 D 7.64 4.27 0.00 2.85 2.56 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 0.00 113 F 8.28 4.27 0.00 3.21 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 0.00 114 K 8.23 3.88 0.00 1.87 1.86 0.00 1.73 0.00 0.00 1.83 0.00 0.00 2.93 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.53 1.58 7.81 115 R 7.87 4.13 0.00 2.06 1.93 0.00 3.23 0.00 0.00 3.17 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.68 0.00 116 A 7.59 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 0.00 117 E 8.75 3.99 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 2.58 2.54 0.00 118 L 7.93 4.00 0.00 1.73 1.71 0.92 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 119 A 8.09 3.98 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 0.00 120 L 7.85 3.89 0.00 1.82 1.86 0.92 0.78 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 0.00 121 K 8.06 3.90 0.00 1.97 1.85 0.00 1.73 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.68 1.63 7.81 122 R 8.19 3.89 0.00 2.00 1.97 0.00 3.12 0.00 0.00 3.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.82 0.00 123 A 7.92 3.95 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 M 8.21 3.91 0.00 2.12 2.21 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 2.59 2.59 0.00 125 N 8.36 4.26 0.00 2.97 2.95 0.00 0.00 7.25 7.54 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 0.00 126 R 7.98 3.93 0.00 2.11 1.96 0.00 3.28 0.00 0.00 3.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.75 0.00 127 L 7.97 3.97 0.00 1.73 1.71 0.91 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 128 S 8.20 4.33 0.00 3.90 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 0.00 129 V 8.11 3.47 2.12 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 0.98 0.00 0.00 0.96 0.00 0.00 130 A 8.32 4.19 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 131 E 7.72 4.05 0.00 2.16 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.50 0.00 132 M 7.84 4.38 0.00 1.12 1.67 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 2.42 0.00 133 K 7.66 4.21 0.00 1.84 1.87 0.00 1.65 0.00 0.00 1.75 0.00 0.00 3.06 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.58 1.39 7.81