NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.5757 8.1076 122.4745 52.1361 20.6336 175.1678 2 S 5.2483 8.4539 113.3374 55.6131 66.9138 170.4579 3 Y 4.9516 9.3229 118.3771 56.1447 41.9338 174.7514 4 K 5.0838 8.6441 118.4995 54.9646 35.3714 176.1099 5 V 4.6287 8.2961 114.8002 60.1259 36.9842 173.5135 6 N 5.2055 8.7274 119.8813 52.6753 40.3885 174.1683 7 I 4.6033 8.5298 123.5084 58.5472 40.5307 173.5310 8 P 4.8047 0.0000 0.0000 63.1264 31.7642 175.9773 9 A 4.4462 8.6605 121.7435 51.0094 21.2904 176.9608 10 G 3.7792 8.1997 104.7273 43.7315 0.0000 170.9375 11 P 4.2398 0.0000 0.0000 62.2116 31.7123 175.6068 12 L 4.3953 8.2403 122.6613 52.7871 43.1140 176.5649 13 W 4.6857 8.9061 123.6195 57.1159 29.7090 176.7549 14 S 4.8113 7.2976 111.9432 56.4752 65.7925 175.8000 15 N 4.6874 8.9144 120.9667 56.8151 38.3908 176.8718 16 A 3.9839 8.0585 121.8087 55.2643 18.5609 179.0504 17 E 3.8249 8.2099 117.3549 59.2324 29.6855 178.6758 18 A 3.3301 7.5894 120.8889 55.2053 17.9373 179.7277 19 Q 4.2695 8.0502 115.2451 58.7297 28.7631 178.3681 20 Q 4.1616 7.2094 117.0072 58.0216 29.4239 177.8393 21 V 3.7305 8.0239 119.7328 65.1075 31.5164 177.9966 22 G 2.3697 7.6945 105.9924 47.1830 0.0000 173.7614 23 P 4.2591 0.0000 0.0000 64.9921 31.4238 178.9480 24 K 3.9250 7.7252 116.9451 59.3338 31.5413 179.3438 25 I 3.6615 7.6367 119.9117 64.2450 36.9892 178.2809 26 A 4.0286 8.2204 121.6708 55.1849 18.3218 179.4937 27 A 3.9237 8.2088 119.0893 55.3029 18.2384 179.7385 28 A 3.9517 7.8018 117.6334 54.3442 18.3458 177.9566 29 H 4.7435 7.3943 112.5585 55.2055 29.3038 174.1853 30 Q 3.4136 7.8041 116.0095 57.1346 26.7796 173.0448 31 G 4.3239 8.3763 104.2318 44.8257 0.0000 171.8380 32 N 5.2149 8.6920 116.3516 50.9585 41.7379 174.3383 33 F 5.0107 9.0142 126.9666 58.7804 39.5114 175.1078 34 T 3.8732 8.2537 116.7275 62.6744 68.9536 175.8767 35 G 3.3454 5.9475 109.4843 44.6261 0.0000 173.3457 36 Q 4.6162 7.4919 119.7001 54.9879 30.2784 175.0522 37 W 5.3494 8.1263 118.6766 56.5401 31.1862 173.0832 38 T 3.5691 8.6228 112.0698 61.2864 70.7694 172.0948 39 T 4.5981 8.2185 124.2371 63.6016 68.7565 174.9164 40 V 4.1628 8.8100 119.2950 61.6403 33.7810 176.1480 41 V 4.2335 7.4591 119.3802 60.5216 34.2408 174.2946 42 E 3.8789 9.0150 128.1602 58.2211 29.6309 176.6326 43 S 3.9226 9.0133 119.2197 59.3244 60.7775 172.2243 44 A 4.7131 8.2657 120.5830 52.7871 22.5313 177.1476 45 M 4.6750 7.6350 113.3847 54.7055 35.9231 173.9712 46 S 5.2554 8.8081 120.5134 56.9676 67.8958 173.3165 47 V 5.0403 8.9664 114.7244 59.7262 35.7416 174.9905 48 V 5.0771 8.6649 115.8851 59.4808 35.1481 174.7411 49 E 4.7202 9.5434 127.0161 55.5982 31.0233 175.5002 50 V 4.8976 8.8936 126.6753 61.0630 35.1812 173.5832 51 E 4.6822 9.3393 129.5316 55.3549 30.8211 175.0524 52 L 4.9246 8.5351 126.9532 53.0762 45.0825 175.4142 53 Q 4.9002 8.3455 119.3185 54.6568 29.7576 176.5451 54 V 3.9170 8.7865 123.1708 65.1713 31.8524 176.0920 55 E 4.6531 7.9628 119.3426 54.1626 31.7854 174.2312 56 N 4.7628 8.9064 124.2663 52.7552 39.6163 174.4381 57 T 4.6374 9.5610 111.7429 59.1559 71.8438 172.8062 58 G 4.3435 7.8952 109.4427 44.0454 0.0000 172.7961 59 I 4.0685 7.5813 112.1126 61.0128 38.4813 175.1368 60 H 4.9290 7.7392 119.4116 54.0824 31.3126 173.3132 61 E 5.8654 8.3294 117.3062 54.2080 33.2098 174.4408 62 F 5.0976 8.9664 122.3816 56.9816 42.9037 172.9790 63 K 4.9422 8.0279 125.1679 55.3425 34.2085 175.2503 64 T 4.2619 8.2204 116.6934 61.6284 71.7957 171.2825 65 D 5.4094 8.4377 123.8229 52.8910 43.2571 176.2320 66 V 4.6097 8.2636 114.7169 58.9561 36.3642 174.9891 67 L 4.4497 8.6946 121.8169 55.3591 41.9191 177.0094 68 A 4.5734 8.6532 122.2069 50.7986 20.8782 177.0333 69 G 3.8918 8.2860 104.2640 43.8497 0.0000 171.1746 70 P 4.3231 0.0000 0.0000 62.1571 31.7658 175.6957 71 L 4.4270 8.0452 122.6766 52.7309 43.4577 176.5421 72 W 4.7148 9.1006 123.3036 56.8944 29.7142 176.6129 73 S 4.8125 7.2152 112.1261 56.5955 65.7283 176.3000 74 N 4.6687 8.6875 121.0010 57.0935 38.8400 176.6628 75 D 4.3824 8.2021 119.8906 57.4219 40.9420 178.3955 76 E 3.8296 8.3724 119.4979 59.1293 29.6998 178.6409 77 A 3.3812 7.7108 121.0965 55.1080 17.9453 179.7062 78 Q 4.3567 8.3542 115.7242 58.6774 28.7770 178.7164 79 K 4.0443 7.4660 119.7044 59.4729 32.5836 178.5368 80 L 4.2150 8.2521 119.1983 56.3968 41.6868 179.1321 81 G 2.5048 7.7686 106.6203 47.1825 0.0000 173.7612 82 P 4.3944 0.0000 0.0000 65.2925 31.1295 178.8019 83 Q 4.0079 7.7861 115.4254 58.8552 29.0469 178.1882 84 I 3.8502 7.9527 120.9482 64.2994 37.1045 178.2700 85 A 4.0697 8.4460 121.8578 55.2445 18.1787 179.5607 86 A 4.1510 8.1631 119.4164 55.0634 18.2326 179.3775 87 S 4.3410 7.9425 110.8578 60.1071 63.3090 174.9147 88 Y 4.6230 7.9381 119.2825 56.7770 38.7593 175.1723 89 G 3.9324 8.8782 107.6188 46.1932 0.0000 172.8507 90 A 4.6818 7.8199 119.5654 50.9078 22.6493 175.8955 91 E 4.7293 8.6793 116.5121 54.9606 32.5930 175.3898 92 F 5.2362 8.6622 124.2882 57.6027 40.0722 175.7464 93 T 3.9127 8.0831 115.7191 62.2751 69.0227 175.8459 94 G 3.3275 5.8557 109.5513 44.6363 0.0000 173.3158 95 Q 4.6449 7.3604 119.3689 54.8048 30.2625 175.0160 96 W 5.4652 8.2876 118.9706 56.2129 31.1197 173.3868 97 R 3.7968 8.8605 114.9978 55.4217 32.4495 173.8566 98 T 4.6937 8.2091 118.1119 63.2907 68.8439 174.6423 99 I 4.2000 8.5438 119.3196 61.4537 39.6364 175.8778 100 V 4.2223 7.4945 121.8189 60.6522 34.1230 173.9471 101 E 3.8961 8.9642 128.5107 58.0026 29.5482 177.5789 102 G 4.2149 8.9536 113.2656 45.9191 0.0000 173.2090 103 V 4.3210 8.0591 117.9694 64.2160 33.7961 175.4716 104 M 4.7961 7.6095 117.9413 54.4424 35.8515 173.3312 105 S 5.2996 8.6346 119.5435 56.9452 67.8915 173.0672 106 V 5.1291 9.1988 113.4467 59.8144 36.1766 174.8803 107 I 5.0856 8.3909 115.8689 59.2069 41.3332 173.9980 108 Q 5.0852 9.6015 126.0066 54.6184 30.3120 174.6613 109 I 4.9854 8.7578 120.0208 58.9192 41.4718 174.2750 110 K 4.8322 8.7759 124.2254 54.9738 34.6958 174.7142 111 Y 4.9501 9.4980 125.8971 57.6879 39.9417 174.7565 112 T 5.2626 8.7821 118.6215 61.7543 71.7871 173.9660 113 F 4.6411 8.9028 121.2790 57.2023 38.2614 174.3429 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 A 8.11 4.58 1.32 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 0.00 0.00 2 S 8.45 5.25 0.00 4.03 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 3 Y 9.32 4.95 0.00 3.06 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 4 K 8.64 5.08 0.00 1.63 1.70 0.00 1.72 0.00 0.00 1.78 0.00 0.00 2.68 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.27 1.41 7.81 5 V 8.30 4.63 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 0.91 0.00 0.00 0.92 0.00 0.00 6 N 8.73 5.21 0.00 2.66 2.75 0.00 0.00 6.64 7.32 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 7 I 8.53 4.60 1.82 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.84 0.74 0.00 0.00 8 P 0.00 4.80 0.00 1.92 1.98 0.00 3.58 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.09 0.00 9 A 8.66 4.45 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 G 8.20 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 11 P 0.00 4.24 0.00 1.03 1.75 0.00 3.71 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.10 0.00 12 L 8.24 4.40 0.00 1.17 0.84 0.44 0.63 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 13 W 8.91 4.69 0.00 3.31 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 14 S 7.30 4.81 0.00 4.09 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 15 N 8.91 4.69 0.00 3.14 3.04 0.00 0.00 6.80 8.38 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 16 A 8.06 3.98 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 17 E 8.21 3.82 0.00 2.04 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 0.00 2.11 2.24 0.00 18 A 7.59 3.33 -0.26 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 19 Q 8.05 4.27 0.00 2.17 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.85 0.00 0.00 0.00 0.00 0.00 2.77 2.65 0.00 20 Q 7.21 4.16 0.00 2.11 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.03 6.97 0.00 0.00 0.00 0.00 0.00 2.32 2.44 0.00 21 V 8.02 3.73 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 0.82 0.00 0.00 0.83 0.00 0.00 22 G 7.69 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 P 0.00 4.26 0.00 2.11 2.13 0.00 3.40 0.00 0.00 3.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.33 0.00 24 K 7.73 3.92 0.00 1.79 1.77 0.00 1.62 0.00 0.00 1.75 0.00 0.00 2.89 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.57 1.39 7.81 25 I 7.64 3.66 1.87 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 1.50 1.19 0.88 0.00 0.00 26 A 8.22 4.03 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 27 A 8.21 3.92 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 28 A 7.80 3.95 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 29 H 7.39 4.74 0.00 3.17 3.32 0.00 5.81 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 Q 7.80 3.41 0.00 2.27 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.62 0.00 0.00 0.00 0.00 0.00 2.32 2.28 0.00 31 G 8.38 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 0.00 0.00 0.00 0.00 32 N 8.69 5.21 0.00 2.61 2.71 0.00 0.00 7.09 7.94 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 33 F 9.01 5.01 0.00 3.03 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 34 T 8.25 3.87 4.10 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 1.19 0.00 0.00 35 G 5.95 3.35 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 0.00 36 Q 7.49 4.62 0.00 2.08 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.49 0.00 0.00 0.00 0.00 0.00 2.24 2.45 0.00 37 W 8.13 5.35 0.00 3.73 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 38 T 8.62 3.57 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 1.15 0.00 0.00 39 T 8.22 4.60 4.18 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 1.23 0.00 0.00 40 V 8.81 4.16 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 0.62 0.00 0.00 0.97 0.00 0.00 41 V 7.46 4.23 2.14 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 1.07 0.00 0.00 0.92 0.00 0.00 42 E 9.01 3.88 0.00 1.97 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 2.37 2.42 0.00 43 S 9.01 3.92 0.00 4.18 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 44 A 8.27 4.71 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 45 M 7.63 4.68 0.00 2.09 1.83 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 2.56 2.61 0.00 46 S 8.81 5.26 0.00 3.90 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 47 V 8.97 5.04 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 0.78 0.00 0.00 0.98 0.00 0.00 48 V 8.66 5.08 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 0.60 0.00 0.00 0.93 0.00 0.00 49 E 9.54 4.72 0.00 2.16 1.92 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 2.29 2.11 0.00 50 V 8.89 4.90 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 0.90 0.00 0.00 1.05 0.00 0.00 51 E 9.34 4.68 0.00 1.99 1.76 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 2.20 2.33 0.00 52 L 8.54 4.92 0.00 0.52 1.30 0.81 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 53 Q 8.35 4.90 0.00 2.15 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.71 7.07 0.00 0.00 0.00 0.00 0.00 2.33 2.33 0.00 54 V 8.79 3.92 2.16 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 0.74 0.00 0.00 1.06 0.00 0.00 55 E 7.96 4.65 0.00 1.96 1.82 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 2.22 2.34 0.00 56 N 8.91 4.76 0.00 2.88 3.00 0.00 0.00 6.94 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 57 T 9.56 4.64 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 1.25 0.00 0.00 58 G 7.90 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 59 I 7.58 4.07 1.71 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.03 0.83 0.00 0.00 60 H 7.74 4.93 0.00 1.40 2.44 0.00 5.75 0.00 0.00 0.00 0.00 6.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 E 8.33 5.87 0.00 2.03 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.20 0.00 62 F 8.97 5.10 0.00 3.40 3.23 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 63 K 8.03 4.94 0.00 1.47 1.53 0.00 1.77 0.00 0.00 1.55 0.00 0.00 2.62 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.28 1.55 7.81 64 T 8.22 4.26 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 1.37 0.00 0.00 65 D 8.44 5.41 0.00 2.61 2.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 V 8.26 4.61 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 0.47 0.00 0.00 -0.04 0.00 0.00 67 L 8.69 4.45 0.00 1.68 1.68 0.98 0.73 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 68 A 8.65 4.57 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 G 8.29 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 0.00 0.00 0.00 70 P 0.00 4.32 0.00 1.38 1.86 0.00 3.71 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 2.01 2.06 0.00 71 L 8.05 4.43 0.00 1.17 0.87 0.38 0.91 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 72 W 9.10 4.71 0.00 3.27 3.31 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 73 S 7.22 4.81 0.00 4.10 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 74 N 8.69 4.67 0.00 3.17 3.05 0.00 0.00 6.89 8.49 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 75 D 8.20 4.38 0.00 2.75 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 76 E 8.37 3.83 0.00 2.02 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 2.16 2.27 0.00 77 A 7.71 3.38 -0.25 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 78 Q 8.35 4.36 0.00 2.03 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.92 0.00 0.00 0.00 0.00 0.00 2.74 2.62 0.00 79 K 7.47 4.04 0.00 1.80 1.93 0.00 1.77 0.00 0.00 1.67 0.00 0.00 2.99 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.40 1.44 7.81 80 L 8.25 4.21 0.00 1.43 1.52 0.83 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 81 G 7.77 2.50 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 0.00 82 P 0.00 4.39 0.00 2.17 2.18 0.00 3.60 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 2.18 2.42 0.00 83 Q 7.79 4.01 0.00 2.08 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 7.06 0.00 0.00 0.00 0.00 0.00 2.33 2.40 0.00 84 I 7.95 3.85 1.85 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.66 1.01 0.00 0.00 85 A 8.45 4.07 1.48 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 86 A 8.16 4.15 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 87 S 7.94 4.34 0.00 3.96 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 88 Y 7.94 4.62 0.00 3.05 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 89 G 8.88 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 90 A 7.82 4.68 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 E 8.68 4.73 0.00 1.96 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 2.28 2.27 0.00 92 F 8.66 5.24 0.00 2.97 2.97 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 93 T 8.08 3.91 4.08 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 1.15 0.00 0.00 94 G 5.86 3.33 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 95 Q 7.36 4.64 0.00 2.09 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.53 0.00 0.00 0.00 0.00 0.00 2.22 2.43 0.00 96 W 8.29 5.47 0.00 3.68 3.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 R 8.86 3.80 0.00 1.58 1.71 0.00 2.65 0.00 0.00 3.07 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.50 0.00 98 T 8.21 4.69 4.19 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 0.00 0.00 1.22 0.00 0.00 99 I 8.54 4.20 1.86 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 1.22 0.60 0.90 0.00 0.00 100 V 7.49 4.22 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 1.07 0.00 0.00 0.93 0.00 0.00 101 E 8.96 3.90 0.00 1.96 1.92 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 2.35 2.49 0.00 102 G 8.95 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 0.00 0.00 0.00 0.00 103 V 8.06 4.32 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.00 0.00 1.03 0.00 0.00 104 M 7.61 4.80 0.00 2.13 1.82 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.64 0.00 105 S 8.63 5.30 0.00 3.98 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 0.00 106 V 9.20 5.13 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.75 0.00 0.00 0.96 0.00 0.00 107 I 8.39 5.09 2.14 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 1.05 0.82 0.80 0.00 0.00 108 Q 9.60 5.09 0.00 2.21 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.70 0.00 0.00 0.00 0.00 0.00 2.23 2.06 0.00 109 I 8.76 4.99 1.64 0.00 0.00 0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.27 0.76 0.00 0.00 110 K 8.78 4.83 0.00 1.75 1.65 0.00 1.61 0.00 0.00 1.65 0.00 0.00 2.88 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.37 1.41 7.81 111 Y 9.50 4.95 0.00 3.28 3.06 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 0.00 112 T 8.78 5.26 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 1.28 0.00 0.00 113 F 8.90 4.64 0.00 3.06 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