NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3530 8.3001 118.1947 54.3064 31.9612 174.4362 2 A 4.0492 7.8115 124.8785 53.2095 19.9811 176.2574 3 T 4.5506 8.8575 115.0231 61.7056 73.1697 171.7530 4 V 4.4995 8.3464 125.5886 62.0166 32.9051 174.7383 5 H 4.8028 9.2386 126.8076 54.1939 30.1927 174.7720 6 K 4.4543 8.8032 126.7279 55.2793 32.7958 176.1488 7 V 2.0000 7.6930 128.9238 63.7176 31.6025 176.7202 8 G 3.5632 5.6905 114.5826 44.2407 0.0000 173.2379 9 D 4.2632 7.9105 120.4850 55.0145 40.0996 176.8802 10 S 4.2246 8.7603 117.6427 62.3992 63.2205 176.1027 11 T 3.8310 7.6074 117.3972 64.3966 68.6886 176.0526 12 G 3.7078 7.2889 108.8588 44.9232 0.0000 172.7881 13 W 4.8031 8.6033 133.3375 56.6001 30.4280 175.9761 14 T 4.2281 8.4668 119.8956 61.6269 70.0300 172.9431 15 T 4.5636 8.0554 109.9705 60.6352 69.8750 174.5848 16 L 4.0953 8.0998 123.0439 57.7139 41.8219 177.7035 17 V 4.5950 7.2463 108.2261 58.5271 35.6515 173.3018 18 P 4.4629 0.0000 0.0000 62.8724 31.8961 175.7922 19 Y 4.3961 8.0917 121.8936 55.2156 41.8122 173.8425 20 D 4.7360 7.4417 126.6245 53.4636 40.0159 175.9311 21 Y 4.5473 8.3038 123.3227 60.4024 38.2750 177.4430 22 A 4.2562 8.3576 121.6102 55.2037 18.3953 179.4210 23 K 3.9574 8.6183 117.3877 59.1992 32.5690 178.5465 24 W 4.2544 8.4238 128.5352 60.4940 30.7594 177.7486 25 A 3.7459 8.9348 121.1313 55.4119 17.6432 179.8340 26 S 4.1797 8.0631 112.6736 61.0502 62.9212 176.0133 27 S 4.3686 7.3546 114.7061 57.8222 63.2738 173.3709 28 N 4.4991 6.8608 119.1204 51.0935 41.3476 173.7714 29 K 4.1050 7.6391 120.8490 54.6853 34.4286 175.0576 30 F 4.8401 8.2907 126.9871 56.6004 40.7193 174.8527 31 H 5.5790 9.3271 120.3944 53.4177 32.7220 173.5518 32 V 3.8895 8.6637 121.3043 65.1211 31.7183 176.1429 33 G 4.0346 9.3402 115.0533 45.4743 0.0000 173.3510 34 D 5.0109 8.1382 119.7566 54.1730 42.9968 175.1206 35 S 5.0801 8.9292 112.3723 57.5707 67.0169 172.9678 36 L 5.1596 9.0661 120.8227 52.8705 44.6371 175.4620 37 L 5.0374 8.5486 124.7055 53.4554 44.9650 175.2354 38 F 4.4761 9.1583 127.0292 56.2107 40.4317 174.6567 39 N 5.4680 8.4121 122.2203 51.8860 40.2901 173.9371 40 Y 4.9929 8.0812 120.1865 56.4289 42.4198 173.2370 41 N 4.5811 8.9099 118.7692 52.8815 38.0800 174.8291 42 N 4.9520 8.4962 122.2687 53.9107 37.5328 175.9391 43 K 3.9413 7.9040 120.6719 58.0193 32.3554 177.0711 44 F 5.0722 7.8116 114.4155 57.4469 40.1617 174.0398 45 H 5.0499 8.0114 116.5597 54.6268 32.8874 171.0035 46 N 4.9570 8.1863 116.5445 52.1573 41.1580 173.2100 47 V 4.3999 8.7831 118.5089 61.0552 34.3096 173.9757 48 L 5.3234 9.0943 128.0879 53.0081 45.0029 175.2249 49 Q 4.6806 9.0153 124.9683 55.1903 30.6372 174.8944 50 V 4.8902 8.4503 118.9636 59.7238 36.4085 174.3848 51 D 4.7039 9.1022 121.8762 52.0229 41.2552 177.2833 52 Q 2.5512 8.3254 119.0856 59.0802 28.7672 178.0995 53 E 3.8939 8.0150 118.6582 59.7798 29.5903 179.4019 54 Q 4.0073 8.8830 118.2119 58.6487 28.6863 178.5303 55 F 4.1086 8.3527 122.0394 61.1857 39.2234 177.0365 56 K 3.8574 8.0204 118.0797 59.2978 32.1614 178.0782 57 S 4.3725 7.7171 110.5041 57.7288 63.6691 173.0258 58 C 3.9121 7.5565 118.4189 58.1045 37.9417 172.7469 59 N 4.7143 8.4996 119.1370 52.8366 38.8071 174.3477 60 S 4.8114 8.4926 119.9076 58.2818 63.4724 175.4026 61 S 4.2913 8.3675 119.6128 61.4387 63.2022 174.7775 62 S 4.6364 7.5740 113.1762 55.7020 61.9250 171.3935 63 P 4.5207 0.0000 0.0000 62.4744 32.3617 177.3610 64 A 4.2871 8.8696 122.8321 54.9676 19.1033 177.8256 65 A 4.4339 7.6383 114.4278 50.8816 22.7849 175.3418 66 S 4.9448 8.2589 115.2457 56.6596 64.9308 172.6223 67 Y 4.8590 9.3888 125.3378 56.1599 40.5310 176.6088 68 T 5.2199 8.6365 111.2351 60.7135 69.8940 175.0525 69 S 4.1702 8.6088 119.0428 60.0464 63.5258 175.4205 70 G 2.6801 9.5118 109.0942 44.7541 0.0000 173.0029 71 A 4.9023 7.2771 120.5619 50.8600 18.5701 176.7715 72 D 4.3979 8.5112 122.8911 54.0549 42.6447 177.5923 73 S 4.8993 8.7014 119.0905 56.9631 63.5086 172.8185 74 I 4.4032 8.5922 129.8835 58.6234 38.7866 174.0456 75 P 4.5837 0.0000 0.0000 62.8573 32.5502 176.5050 76 L 4.4944 8.6790 121.9155 52.8661 42.0206 176.8582 77 K 4.4911 8.2690 118.4843 55.9181 33.0354 176.8297 78 R 4.7488 7.3727 117.5337 53.5581 33.9720 173.2427 79 P 4.6403 0.0000 0.0000 62.9704 32.4795 175.4986 80 G 3.6001 7.7057 105.0278 44.2492 0.0000 171.9160 81 T 4.6607 7.5358 116.0768 61.5929 70.5759 174.2531 82 F 4.6425 8.8356 124.1333 55.6116 43.3910 173.5842 83 Y 4.8854 8.0783 117.5109 56.2134 41.5563 174.6316 84 F 5.6201 9.2617 121.2873 56.0132 43.5600 173.7693 85 L 5.4006 9.1750 120.9996 55.1530 44.3400 173.4708 86 C 5.1678 7.9541 120.4838 57.7297 32.0261 173.9068 87 G 3.8457 8.9125 114.0508 46.2308 0.0000 173.9030 88 I 3.5876 7.6791 122.0658 60.6891 37.5150 173.0320 89 P 4.1329 0.0000 0.0000 63.9639 31.1093 176.7213 90 G 4.0430 9.0033 111.7693 46.5368 0.0000 174.7421 91 H 4.1743 8.3861 117.7261 59.0353 28.6379 176.7255 92 C 4.3679 8.1336 119.8080 59.8792 43.2903 175.5318 93 Q 3.8201 7.9384 117.9926 58.3506 28.4469 177.5218 94 L 4.3285 7.2951 117.5733 54.7023 41.9683 177.3959 95 G 4.1284 7.8114 106.7924 45.2007 0.0000 174.9941 96 Q 3.9960 7.9832 123.2592 53.9526 27.1312 174.2694 97 K 5.5758 7.8329 119.5527 55.7385 36.0834 176.1948 98 V 4.9812 9.9126 121.3748 60.7736 35.1428 172.6699 99 E 4.5240 9.1754 125.5267 54.8155 31.1387 174.8560 100 I 4.1745 8.6942 127.7548 59.4518 40.1319 174.6713 101 K 4.7537 8.5882 127.4569 54.9081 33.3550 176.2523 102 V 4.3259 9.2654 127.1350 62.4391 33.0262 175.8700 103 D 4.9689 9.3889 127.6606 54.9165 41.1429 173.9070 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 8.30 4.35 0.00 2.12 2.18 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 2.46 2.60 0.00 2 A 7.81 4.05 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 3 T 8.86 4.55 4.13 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 0.93 0.00 0.00 4 V 8.35 4.50 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 0.78 0.00 0.00 0.91 0.00 0.00 5 H 9.24 4.80 0.00 3.45 3.66 0.00 5.66 0.00 0.00 0.00 0.00 6.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 K 8.80 4.45 0.00 1.88 1.81 0.00 1.74 0.00 0.00 1.72 0.00 0.00 2.76 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.42 1.38 7.81 7 V 7.69 2.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.10 0.00 0.00 -0.68 0.00 0.00 8 G 5.69 3.56 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 9 D 7.91 4.26 0.00 2.94 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 10 S 8.76 4.22 0.00 3.98 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 11 T 7.61 3.83 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 0.95 0.00 0.00 12 G 7.29 3.71 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 W 8.60 4.80 0.00 3.23 3.25 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 14 T 8.47 4.23 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 15 T 8.06 4.56 4.11 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 0.94 0.00 0.00 16 L 8.10 4.10 0.00 1.67 1.80 0.90 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 17 V 7.25 4.60 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 0.98 0.00 0.00 18 P 0.00 4.46 0.00 2.03 1.98 0.00 3.66 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.07 0.00 19 Y 8.09 4.40 0.00 2.83 2.32 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 20 D 7.44 4.74 0.00 2.53 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 0.00 0.00 0.00 0.00 21 Y 8.30 4.55 0.00 3.60 3.42 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 22 A 8.36 4.26 1.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 K 8.62 3.96 0.00 2.02 1.96 0.00 1.74 0.00 0.00 1.60 0.00 0.00 3.13 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.44 1.44 7.81 24 W 8.42 4.25 0.00 3.76 3.75 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 0.00 0.00 0.00 25 A 8.93 3.75 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 0.00 0.00 0.00 0.00 0.00 0.00 26 S 8.06 4.18 0.00 4.02 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 27 S 7.35 4.37 0.00 3.93 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 28 N 6.86 4.50 0.00 1.78 1.42 0.00 0.00 6.61 6.89 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 29 K 7.64 4.11 0.00 1.49 1.40 0.00 1.69 0.00 0.00 1.63 0.00 0.00 3.07 0.00 0.00 2.93 0.00 0.00 0.00 0.00 0.94 1.29 7.81 30 F 8.29 4.84 0.00 3.29 2.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 H 9.33 5.58 0.00 3.10 3.14 0.00 5.66 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 V 8.66 3.89 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 0.81 0.00 0.00 1.03 0.00 0.00 33 G 9.34 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 0.00 0.00 0.00 34 D 8.14 5.01 0.00 2.85 2.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 S 8.93 5.08 0.00 3.93 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 36 L 9.07 5.16 0.00 1.36 1.18 0.46 0.69 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 37 L 8.55 5.04 0.00 1.67 1.42 0.94 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 38 F 9.16 4.48 0.00 2.89 2.83 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 39 N 8.41 5.47 0.00 2.67 2.72 0.00 0.00 6.65 7.48 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 40 Y 8.08 4.99 0.00 3.28 3.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 N 8.91 4.58 0.00 2.95 3.08 0.00 0.00 6.62 6.71 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 42 N 8.50 4.95 0.00 3.12 2.84 0.00 0.00 6.22 7.13 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 43 K 7.90 3.94 0.00 1.34 0.77 0.00 1.45 0.00 0.00 1.01 0.00 0.00 2.99 0.00 0.00 3.09 0.00 0.00 0.00 0.00 0.83 1.12 7.81 44 F 7.81 5.07 0.00 3.02 2.84 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 45 H 8.01 5.05 0.00 3.18 3.06 0.00 5.71 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 N 8.19 4.96 0.00 2.94 2.94 0.00 0.00 5.31 7.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 V 8.78 4.40 1.79 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 -0.19 0.00 0.00 -0.07 0.00 0.00 48 L 9.09 5.32 0.00 1.68 1.57 0.98 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 49 Q 9.02 4.68 0.00 2.32 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.56 0.00 0.00 0.00 0.00 0.00 2.06 1.62 0.00 50 V 8.45 4.89 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 0.82 0.00 0.00 1.08 0.00 0.00 51 D 9.10 4.70 0.00 2.82 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 52 Q 8.33 2.55 0.00 1.78 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.97 6.91 0.00 0.00 0.00 0.00 0.00 2.27 2.17 0.00 53 E 8.02 3.89 0.00 2.15 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.35 0.00 54 Q 8.88 4.01 0.00 2.16 2.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.80 0.00 0.00 0.00 0.00 0.00 2.37 2.54 0.00 55 F 8.35 4.11 0.00 3.00 2.94 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 56 K 8.02 3.86 0.00 1.82 1.97 0.00 1.84 0.00 0.00 1.76 0.00 0.00 3.12 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.44 1.46 7.81 57 S 7.72 4.37 0.00 4.07 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 58 C 7.56 3.91 0.00 3.08 3.17 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 59 N 8.50 4.71 0.00 2.59 2.72 0.00 0.00 6.87 7.67 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 60 S 8.49 4.81 0.00 4.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 S 8.37 4.29 0.00 4.01 3.96 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 62 S 7.57 4.64 0.00 3.75 3.70 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 0.00 0.00 0.00 63 P 0.00 4.52 0.00 2.36 2.05 0.00 3.81 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 1.97 1.95 0.00 64 A 8.87 4.29 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 65 A 7.64 4.43 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 S 8.26 4.94 0.00 3.79 3.62 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 67 Y 9.39 4.86 0.00 2.94 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 68 T 8.64 5.22 4.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 69 S 8.61 4.17 0.00 4.01 4.07 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 70 G 9.51 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 0.00 0.00 0.00 71 A 7.28 4.90 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 D 8.51 4.40 0.00 2.62 2.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 S 8.70 4.90 0.00 3.83 3.76 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 74 I 8.59 4.40 1.58 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.25 0.18 0.77 0.00 0.00 75 P 0.00 4.58 0.00 2.05 2.03 0.00 3.68 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 2.00 0.00 76 L 8.68 4.49 0.00 1.72 1.58 0.99 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 77 K 8.27 4.49 0.00 1.71 1.83 0.00 1.69 0.00 0.00 1.71 0.00 0.00 2.96 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.36 1.42 7.81 78 R 7.37 4.75 0.00 1.90 1.92 0.00 3.25 0.00 0.00 3.36 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.62 0.00 79 P 0.00 4.64 0.00 2.23 2.11 0.00 3.84 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.01 0.00 80 G 7.71 3.60 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 0.00 0.00 0.00 81 T 7.54 4.66 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 0.65 0.00 0.00 82 F 8.84 4.64 0.00 2.87 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 83 Y 8.08 4.89 0.00 2.93 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 84 F 9.26 5.62 0.00 3.10 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 85 L 9.17 5.40 0.00 1.86 1.98 1.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 86 C 7.95 5.17 0.00 2.85 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 87 G 8.91 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 88 I 7.68 3.59 1.54 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 1.41 1.10 0.63 0.00 0.00 89 P 0.00 4.13 0.00 2.00 2.03 0.00 3.67 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.11 0.00 90 G 9.00 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 91 H 8.39 4.17 0.00 3.23 3.43 0.00 5.65 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 C 8.13 4.37 0.00 3.15 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 93 Q 7.94 3.82 0.00 2.19 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.85 0.00 0.00 0.00 0.00 0.00 2.34 2.47 0.00 94 L 7.30 4.33 0.00 1.74 1.68 0.88 1.38 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 95 G 7.81 4.13 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 0.00 0.00 0.00 96 Q 7.98 4.00 0.00 1.82 1.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.59 0.00 0.00 0.00 0.00 0.00 1.16 1.16 0.00 97 K 7.83 5.58 0.00 1.94 1.74 0.00 1.43 0.00 0.00 0.92 0.00 0.00 2.39 0.00 0.00 2.49 0.00 0.00 0.00 0.00 1.30 1.58 7.81 98 V 9.91 4.98 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 0.89 0.00 0.00 1.41 0.00 0.00 99 E 9.18 4.52 0.00 1.79 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 2.00 1.65 0.00 100 I 8.69 4.17 1.91 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 1.37 0.88 -0.02 0.00 0.00 101 K 8.59 4.75 0.00 1.68 1.76 0.00 1.75 0.00 0.00 1.63 0.00 0.00 2.86 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.27 1.33 7.81 102 V 9.27 4.33 2.44 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 1.15 0.00 0.00 1.07 0.00 0.00 103 D 9.39 4.97 0.00 2.89 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