NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 I 4.1623 8.0093 121.4497 61.1423 37.9792 174.7924 4 S 4.3816 8.5254 121.0127 56.1761 64.1750 173.2656 5 F 4.5253 9.5119 126.9258 58.4846 40.8459 175.7800 6 R 4.1452 6.9665 123.8885 52.5142 34.1088 173.8840 7 P 4.3766 0.0000 0.0000 63.2813 33.1174 177.7049 8 T 3.7650 9.4184 112.7507 64.8843 68.5653 176.7811 9 A 3.9564 7.8871 123.1108 55.0381 18.4837 179.1520 10 D 4.2434 7.9034 116.9329 57.3843 40.9467 178.7946 11 L 3.7673 7.6272 119.4578 57.7288 41.5821 179.6895 12 V 3.5413 7.7775 118.1050 66.0073 31.1742 177.6952 13 D 4.3264 7.7703 117.5671 57.6018 40.7708 178.3548 14 D 4.4522 7.7960 117.8739 57.3120 40.9568 178.6602 15 I 3.8337 8.0093 119.7540 63.4820 37.6540 176.1555 16 G 3.8184 8.4855 104.5266 43.4425 0.0000 171.7705 17 P 4.1995 0.0000 0.0000 65.6391 31.1837 176.9806 18 D 4.8218 7.8737 115.7862 53.8520 40.9099 176.7908 19 V 3.6521 7.3935 119.2640 62.2021 31.8256 176.7598 20 R 4.3057 8.2786 121.9362 55.0975 29.7961 173.4669 21 S 5.1415 8.0879 117.0824 56.1292 64.3969 172.5903 22 C 4.5545 8.8770 128.9278 59.6008 31.2550 173.3516 23 D 4.5428 8.9856 126.6527 55.9474 41.0003 176.8641 24 L 3.8927 7.8635 121.5274 54.9445 42.4381 176.0235 25 Q 4.3022 8.4862 125.4530 55.4656 28.8549 175.1109 26 F 4.9873 8.6987 121.5116 55.9249 41.8948 175.4484 27 R 4.6123 9.1054 120.0429 55.0025 32.3809 175.5487 28 Q 4.8821 8.2432 120.8396 55.2803 29.4537 175.6555 29 F 4.7562 9.5888 120.0479 57.4260 42.4206 175.5978 30 G 4.3668 7.7559 105.1268 44.5808 0.0000 174.2150 31 G 4.0663 8.8376 106.7689 48.2093 0.0000 174.2801 32 R 4.8801 7.9879 120.2991 54.5477 32.2239 177.3214 33 S 4.4863 8.7750 117.2838 58.9381 64.2125 173.4330 34 Q 4.8925 7.5345 119.6997 53.8729 31.4326 174.6028 35 F 5.0162 8.3890 116.6853 56.3435 41.7354 172.7927 36 A 5.5377 7.4712 119.6582 51.6955 22.0417 175.7389 37 G 4.2770 8.3509 107.6989 44.9577 0.0000 170.4073 38 P 4.9322 0.0000 0.0000 62.9352 32.5064 175.7174 39 I 4.7736 8.9864 124.8171 61.2696 38.5573 175.1539 40 S 5.3059 9.3931 121.8961 57.0216 67.2303 173.1193 41 T 5.2571 8.4592 111.0967 60.3212 72.7207 172.9383 42 V 4.8053 8.5259 121.6946 61.7091 35.5177 172.9673 43 R 5.1426 9.3822 128.8840 54.9100 32.7817 174.5067 44 C 5.0928 8.7973 119.7248 58.0583 33.7112 172.6527 45 F 4.4638 8.5578 121.1357 57.9090 40.3167 173.4292 46 Q 3.3108 8.2473 128.0906 54.8469 26.3206 173.2213 47 D 5.1032 7.8546 114.8146 53.1275 44.4563 173.9784 48 N 4.9092 8.7527 122.1189 52.3152 38.1832 176.2463 49 A 3.9016 8.3179 122.8711 55.5695 18.4953 180.0758 50 L 3.8477 7.8109 118.5926 58.2789 42.2666 179.0602 51 L 3.9215 7.7883 119.2015 58.5553 40.3366 178.9809 52 K 3.8337 8.0343 120.9825 59.2127 31.8861 178.9988 53 S 4.1363 7.8067 113.8997 61.2759 63.2321 176.4464 54 V 3.7631 7.6813 121.7766 65.7818 31.1699 177.7948 55 L 3.5432 7.5875 116.2896 56.3792 41.5036 178.6515 56 S 4.3753 7.5921 113.7759 58.9188 63.3912 174.0688 57 Q 4.5664 7.4207 120.9475 53.6662 29.8965 173.9844 58 P 4.5430 0.0000 0.0000 63.1617 32.2371 175.9790 59 S 4.0484 8.6700 115.2809 56.5640 65.6231 174.0100 60 A 4.3707 8.1159 131.8091 51.2464 17.0710 176.9992 61 G 3.7892 8.2730 109.2773 45.6974 0.0000 172.4111 62 G 3.8491 7.6336 106.5540 45.4854 0.0000 173.5298 63 V 5.0753 9.0214 120.1672 60.8817 34.4533 173.7970 64 L 5.0238 8.7159 130.3660 53.5664 44.0368 174.9205 65 V 4.4258 8.7817 127.3560 61.4890 33.3472 174.3783 66 I 4.6054 8.6404 130.0452 59.7758 39.4439 174.6616 67 D 4.8738 9.2569 129.5556 52.6232 41.8699 176.3766 68 G 4.3490 8.5077 115.7763 44.4902 0.0000 172.6049 69 A 3.5945 9.1490 119.6068 52.2882 16.7250 179.3077 70 G 3.6742 8.0509 103.8280 46.8457 0.0000 174.6521 71 S 4.1716 7.8108 114.7496 58.5343 62.7072 174.4994 72 L 4.7246 8.3344 125.4161 54.8913 42.0257 176.8948 73 H 4.4027 8.1384 121.7467 58.3235 30.1045 175.4433 74 T 4.6571 7.2950 106.9079 59.3963 71.7722 172.0668 75 A 4.4179 8.5912 125.4963 51.4813 18.5391 177.7405 76 L 4.1386 8.9613 124.1575 56.8184 42.8535 177.9883 77 V 4.2871 7.5889 117.9824 61.1803 35.2506 174.9984 78 G 4.5043 8.1619 115.8479 43.0570 0.0000 172.3048 79 D 4.3671 8.8984 118.4081 56.0990 39.1221 178.7611 80 V 3.4792 7.6026 119.5775 66.1905 31.6956 177.9527 81 I 3.6367 7.6280 118.8218 64.0389 36.9605 178.2064 82 A 3.8849 7.9853 121.7669 55.2039 18.1732 179.3773 83 E 3.8958 8.1748 117.8907 58.9568 29.7693 178.5812 84 L 3.8893 7.9912 120.4263 58.2286 42.1762 178.7910 85 A 3.9888 8.2547 120.9358 55.1273 18.2906 179.5228 86 R 3.8597 8.0440 117.3690 59.7085 30.0011 178.9599 87 S 4.2255 8.2949 113.2242 61.1307 63.1186 175.5125 88 T 4.3947 7.8788 111.2137 61.4699 69.0798 175.9496 89 G 4.4686 7.9762 109.9988 45.8540 0.0000 173.7955 90 W 4.4260 8.0650 119.9777 57.1566 29.3472 176.2183 91 T 4.3140 9.1274 117.9616 63.0591 68.6567 174.1698 92 G 3.2446 7.4141 105.8489 44.9028 0.0000 172.1522 93 L 5.1326 8.3331 121.1107 52.6321 45.6781 175.7136 94 I 4.4050 8.5741 124.7909 59.6618 39.5006 175.0624 95 V 4.2810 9.0143 130.0827 61.1614 32.6873 175.1550 96 H 5.2510 9.1265 133.4662 53.0444 27.8424 174.4126 97 G 4.1333 7.0196 110.0295 45.2496 0.0000 169.3096 98 A 5.2090 7.7852 122.2577 50.3314 22.9874 175.8760 99 V 4.8274 8.1193 111.5875 59.5652 36.1170 174.5800 100 R 4.6651 8.0995 117.1355 54.4412 33.7235 174.4096 101 D 4.0793 8.6200 114.6688 54.9950 38.3864 176.3311 102 A 4.0286 8.3233 121.7072 55.6552 18.2035 179.2342 103 A 3.9549 8.0885 116.8861 55.4121 18.6770 179.1759 104 A 4.1475 7.9171 118.5392 54.9358 18.7372 179.4688 105 L 3.9491 8.2172 117.8404 58.1287 41.5718 179.9320 106 R 4.0925 7.4892 117.2713 57.9784 30.1539 178.0843 107 G 4.0555 7.9709 104.7533 45.2683 0.0000 173.0762 108 I 4.2073 7.6136 122.3809 59.1375 38.7041 176.2032 109 D 5.1980 8.3284 128.5521 53.2473 38.1396 174.5992 110 I 4.4325 7.2445 120.4354 59.6823 42.3410 173.8625 111 G 4.2023 8.5288 114.4374 46.6502 0.0000 173.0355 112 I 5.1257 8.2710 123.5831 59.6893 41.6746 173.9637 113 K 5.4018 9.2606 126.4257 54.7798 35.5590 175.2664 114 A 5.9400 9.1747 124.4277 51.5497 22.8705 176.6369 115 L 4.1391 8.9396 118.6822 56.3340 42.6554 177.7874 116 G 4.0957 7.1620 104.6835 46.0783 0.0000 171.5465 117 T 5.3968 7.9655 107.5919 58.9545 71.9122 172.6938 118 N 4.3106 7.9971 115.9437 52.3698 41.5269 172.8461 119 P 4.3259 0.0000 0.0000 64.5621 32.0908 176.5592 120 R 3.9781 8.2689 121.8116 56.4435 30.7793 176.2533 121 K 4.5247 8.5269 125.3307 56.2244 33.3418 176.5925 122 S 4.6605 8.3073 118.1212 57.7893 64.7868 174.0576 123 T 4.2896 8.4335 112.6572 60.5212 70.5977 174.4151 124 K 4.6667 7.8225 118.2301 55.7776 32.6986 177.4783 125 T 3.9933 9.1768 110.3099 62.7575 69.6038 176.5380 126 G 3.9006 8.3796 109.2106 44.5515 0.0000 173.5424 127 A 3.9811 7.4587 122.6003 52.6909 18.8498 176.8466 128 G 4.1224 7.7847 106.1972 43.3014 0.0000 172.6465 129 E 4.7584 9.0228 117.2200 54.1904 32.4114 174.9641 130 R 4.9829 8.3248 116.5098 55.3334 32.1534 174.6927 131 D 4.4085 8.8109 116.6482 55.8193 38.9044 174.2279 132 V 4.4051 7.4110 109.8914 59.5709 34.0865 175.7594 133 E 4.5957 8.5070 120.9756 56.2500 30.4175 176.3221 134 I 4.5715 8.6581 124.5634 59.8773 40.2159 174.5400 135 T 5.2894 8.7418 124.0175 61.9665 70.0295 174.1482 136 L 4.7902 9.0994 126.7406 54.0665 45.6896 176.9774 137 G 4.1433 9.8417 109.6713 46.7428 0.0000 174.8900 138 G 4.0760 8.6291 105.0262 44.9650 0.0000 174.0349 139 V 4.4131 7.8015 119.3355 61.0895 35.0151 174.2996 140 T 4.9319 8.2752 123.0777 62.0108 70.2794 174.1409 141 F 4.3975 10.0430 127.9345 56.7918 40.1610 174.8411 142 V 4.6524 8.2703 124.4748 60.1915 33.5581 173.1704 143 P 4.5242 0.0000 0.0000 64.7214 31.1542 174.8939 144 G 4.1363 9.1181 111.8201 45.8006 0.0000 173.7374 145 D 4.6878 8.2564 118.7478 54.3914 42.3506 175.4609 146 I 4.9174 8.3404 119.8996 59.7468 39.7795 174.6158 147 A 5.3982 8.7947 128.0359 50.3933 21.8069 174.7318 148 Y 5.0383 9.2904 119.9522 56.1916 41.4499 174.8979 149 S 5.0594 9.1324 118.4828 56.9055 66.3464 172.8921 150 D 5.5649 8.4600 123.7331 53.1741 41.6094 175.1636 151 D 4.5959 8.7407 117.7818 57.0506 40.9840 177.0988 152 D 4.6730 8.6706 118.9424 54.4564 42.4114 177.5667 153 G 4.1881 6.7524 105.5202 46.2039 0.0000 170.9768 154 I 5.2038 7.7332 121.3283 59.7555 41.6506 174.4454 155 I 4.9336 9.0279 127.4097 59.4276 40.3798 174.5946 156 V 4.6965 8.2103 126.1335 61.8979 33.3031 175.7147 157 V 3.7504 9.5001 128.0233 63.5366 32.9520 172.2752 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 3 I 8.01 4.16 1.81 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 1.43 1.00 0.75 0.00 0.00 4 S 8.53 4.38 0.00 4.13 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 5 F 9.51 4.53 0.00 3.07 3.10 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 6 R 6.97 4.15 0.00 1.34 1.42 0.00 3.22 0.00 0.00 3.04 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.59 0.00 7 P 0.00 4.38 0.00 2.19 2.03 0.00 3.54 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.29 0.00 8 T 9.42 3.76 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 1.33 0.00 0.00 9 A 7.89 3.96 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 10 D 7.90 4.24 0.00 2.70 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 11 L 7.63 3.77 0.00 1.64 1.43 0.03 0.19 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 12 V 7.78 3.54 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 1.00 0.00 0.00 0.97 0.00 0.00 13 D 7.77 4.33 0.00 2.86 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 14 D 7.80 4.45 0.00 2.57 2.66 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 15 I 8.01 3.83 1.84 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.55 0.87 0.00 0.00 16 G 8.49 3.82 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 0.00 0.00 0.00 17 P 0.00 4.20 0.00 2.03 2.15 0.00 3.65 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 2.02 2.12 0.00 18 D 7.87 4.82 0.00 2.64 2.65 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 19 V 7.39 3.65 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 0.69 0.00 0.00 0.88 0.00 0.00 20 R 8.28 4.31 0.00 1.89 1.83 0.00 3.06 0.00 0.00 3.41 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.58 0.00 21 S 8.09 5.14 0.00 3.84 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 22 C 8.88 4.55 0.00 3.18 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 23 D 8.99 4.54 0.00 2.79 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 24 L 7.86 3.89 0.00 1.59 1.60 0.79 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.67 0.00 0.00 0.00 0.00 0.00 0.00 25 Q 8.49 4.30 0.00 2.04 2.05 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 2.33 2.31 0.00 26 F 8.70 4.99 0.00 2.95 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 27 R 9.11 4.61 0.00 1.86 1.32 0.00 3.14 0.00 0.00 3.31 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.63 0.00 28 Q 8.24 4.88 0.00 1.84 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.67 6.87 0.00 0.00 0.00 0.00 0.00 2.33 2.32 0.00 29 F 9.59 4.76 0.00 2.90 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 30 G 7.76 4.37 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 31 G 8.84 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 0.00 0.00 0.00 32 R 7.99 4.88 0.00 1.79 1.86 0.00 3.12 0.00 0.00 3.40 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.66 0.00 33 S 8.78 4.49 0.00 3.97 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 34 Q 7.53 4.89 0.00 1.15 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.78 6.77 0.00 0.00 0.00 0.00 0.00 1.95 2.07 0.00 35 F 8.39 5.02 0.00 3.08 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 36 A 7.47 5.54 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 0.00 0.00 0.00 0.00 0.00 0.00 37 G 8.35 4.28 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 0.00 0.00 0.00 38 P 0.00 4.93 0.00 2.10 2.17 0.00 3.82 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.91 0.00 39 I 8.99 4.77 2.20 0.00 0.00 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 1.43 0.81 1.08 0.00 0.00 40 S 9.39 5.31 0.00 4.15 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 41 T 8.46 5.26 4.28 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 1.30 0.00 0.00 42 V 8.53 4.81 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 0.92 0.00 0.00 0.88 0.00 0.00 43 R 9.38 5.14 0.00 1.89 1.76 0.00 3.50 0.00 0.00 3.25 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.59 0.00 44 C 8.80 5.09 0.00 3.03 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 45 F 8.56 4.46 0.00 2.92 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 46 Q 8.25 3.31 0.00 1.81 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.89 6.61 0.00 0.00 0.00 0.00 0.00 1.87 1.16 0.00 47 D 7.85 5.10 0.00 2.65 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 48 N 8.75 4.91 0.00 2.89 2.93 0.00 0.00 6.53 7.51 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 49 A 8.32 3.90 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 50 L 7.81 3.85 0.00 1.93 1.65 0.92 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 51 L 7.79 3.92 0.00 1.80 1.82 0.78 0.35 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 52 K 8.03 3.83 0.00 1.90 1.94 0.00 1.58 0.00 0.00 1.66 0.00 0.00 2.96 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.38 1.37 7.81 53 S 7.81 4.14 0.00 4.08 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 54 V 7.68 3.76 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 1.04 0.00 0.00 0.97 0.00 0.00 55 L 7.59 3.54 0.00 1.37 1.30 0.58 -0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 56 S 7.59 4.38 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 57 Q 7.42 4.57 0.00 2.41 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.81 0.00 0.00 0.00 0.00 0.00 2.63 2.54 0.00 58 P 0.00 4.54 0.00 2.00 1.97 0.00 3.66 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 2.03 2.10 0.00 59 S 8.67 4.05 0.00 2.72 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 60 A 8.12 4.37 1.14 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 61 G 8.27 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 0.00 0.00 0.00 0.00 62 G 7.63 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 63 V 9.02 5.08 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 1.19 0.00 0.00 1.25 0.00 0.00 64 L 8.72 5.02 0.00 1.21 1.18 0.84 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 65 V 8.78 4.43 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 0.33 0.00 0.00 0.74 0.00 0.00 66 I 8.64 4.61 1.80 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 1.00 0.44 0.86 0.00 0.00 67 D 9.26 4.87 0.00 2.82 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 68 G 8.51 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 0.00 0.00 0.00 0.00 69 A 9.15 3.59 1.58 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 0.00 0.00 70 G 8.05 3.67 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 0.00 0.00 0.00 71 S 7.81 4.17 0.00 3.89 3.55 0.00 0.00 0.00 0.00 0.00 0.00 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 8.33 4.72 0.00 1.65 1.62 0.93 1.09 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 73 H 8.14 4.40 0.00 3.04 3.38 0.00 5.89 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 T 7.29 4.66 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 1.14 0.00 0.00 75 A 8.59 4.42 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 76 L 8.96 4.14 0.00 1.40 1.64 0.86 0.76 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 77 V 7.59 4.29 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 0.88 0.00 0.00 0.80 0.00 0.00 78 G 8.16 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 0.00 0.00 0.00 0.00 79 D 8.90 4.37 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 80 V 7.60 3.48 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 1.02 0.00 0.00 0.90 0.00 0.00 81 I 7.63 3.64 1.77 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 1.49 0.40 0.77 0.00 0.00 82 A 7.99 3.88 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 83 E 8.17 3.90 0.00 2.12 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 0.00 2.29 2.35 0.00 84 L 7.99 3.89 0.00 1.87 1.75 0.91 1.08 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 85 A 8.25 3.99 1.18 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 0.00 0.00 86 R 8.04 3.86 0.00 2.00 2.11 0.00 3.10 0.00 0.00 3.22 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.83 0.00 87 S 8.29 4.23 0.00 4.05 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 0.00 88 T 7.88 4.39 4.54 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 1.39 0.00 0.00 89 G 7.98 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 0.00 0.00 0.00 0.00 90 W 8.06 4.43 0.00 3.22 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 91 T 9.13 4.31 4.25 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 1.42 0.00 0.00 92 G 7.41 3.24 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 0.00 0.00 0.00 0.00 93 L 8.33 5.13 0.00 1.40 1.37 0.77 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 94 I 8.57 4.41 1.62 0.00 0.00 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 1.09 0.89 0.28 0.00 0.00 95 V 9.01 4.28 2.17 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 0.87 0.00 0.00 0.85 0.00 0.00 96 H 9.13 5.25 0.00 3.34 3.36 0.00 5.74 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 G 7.02 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 98 A 7.79 5.21 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 99 V 8.12 4.83 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 0.46 0.00 0.00 -0.06 0.00 0.00 100 R 8.10 4.67 0.00 1.76 1.99 0.00 2.85 0.00 0.00 3.10 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.52 0.00 101 D 8.62 4.08 0.00 2.84 2.75 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 0.00 102 A 8.32 4.03 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.09 3.95 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 0.00 104 A 7.92 4.15 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 0.00 105 L 8.22 3.95 0.00 1.97 1.87 0.83 1.11 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 0.00 106 R 7.49 4.09 0.00 1.86 2.01 0.00 3.14 0.00 0.00 3.28 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.82 0.00 107 G 7.97 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 0.00 0.00 0.00 108 I 7.61 4.21 1.96 0.00 0.00 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 1.11 1.08 0.90 0.00 0.00 109 D 8.33 5.20 0.00 2.67 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 0.00 110 I 7.24 4.43 1.84 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.93 0.87 0.00 0.00 111 G 8.53 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 0.00 0.00 0.00 112 I 8.27 5.13 2.08 0.00 0.00 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 1.27 0.54 0.94 0.00 0.00 113 K 9.26 5.40 0.00 1.51 1.39 0.00 1.63 0.00 0.00 1.59 0.00 0.00 2.91 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.55 1.58 7.81 114 A 9.17 5.94 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 0.00 115 L 8.94 4.14 0.00 1.70 1.75 0.90 0.31 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 0.00 116 G 7.16 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 0.00 0.00 0.00 0.00 117 T 7.97 5.40 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 1.17 0.00 0.00 118 N 8.00 4.31 0.00 2.69 2.60 0.00 0.00 7.03 7.69 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 0.00 119 P 0.00 4.33 0.00 2.18 2.13 0.00 3.78 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.92 0.00 120 R 8.27 3.98 0.00 1.83 1.97 0.00 2.97 0.00 0.00 3.04 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.53 0.00 121 K 8.53 4.52 0.00 1.64 1.67 0.00 1.75 0.00 0.00 1.67 0.00 0.00 2.87 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.38 1.42 7.81 122 S 8.31 4.66 0.00 3.67 3.82 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 0.00 123 T 8.43 4.29 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 0.00 124 K 7.82 4.67 0.00 1.66 1.74 0.00 1.71 0.00 0.00 1.73 0.00 0.00 3.09 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.30 1.57 7.81 125 T 9.18 3.99 4.25 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 1.21 0.00 0.00 126 G 8.38 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 0.00 127 A 7.46 3.98 1.28 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 0.00 0.00 128 G 7.78 4.12 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 0.00 129 E 9.02 4.76 0.00 2.11 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 2.19 2.23 0.00 130 R 8.32 4.98 0.00 1.93 1.93 0.00 3.20 0.00 0.00 3.25 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.63 0.00 131 D 8.81 4.41 0.00 2.82 2.81 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 0.00 0.00 0.00 132 V 7.41 4.41 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 0.77 0.00 0.00 0.97 0.00 0.00 133 E 8.51 4.60 0.00 1.90 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 2.35 2.38 0.00 134 I 8.66 4.57 2.01 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 1.28 1.21 0.97 0.00 0.00 135 T 8.74 5.29 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 1.31 0.00 0.00 136 L 9.10 4.79 0.00 2.00 1.63 0.92 0.59 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 0.00 137 G 9.84 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 0.00 138 G 8.63 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 0.00 0.00 0.00 0.00 139 V 7.80 4.41 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 0.60 0.00 0.00 0.88 0.00 0.00 140 T 8.28 4.93 4.22 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 1.25 0.00 0.00 141 F 10.04 4.40 0.00 3.06 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 0.00 142 V 8.27 4.65 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 1.11 0.00 0.00 1.00 0.00 0.00 143 P 0.00 4.52 0.00 2.02 2.05 0.00 3.74 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.18 0.00 144 G 9.12 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 0.00 145 D 8.26 4.69 0.00 2.93 2.66 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 0.00 146 I 8.34 4.92 2.01 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 1.32 1.26 0.67 0.00 0.00 147 A 8.79 5.40 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 0.00 148 Y 9.29 5.04 0.00 2.85 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 0.00 149 S 9.13 5.06 0.00 3.33 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 0.00 150 D 8.46 5.56 0.00 2.99 2.95 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 0.00 0.00 0.00 151 D 8.74 4.60 0.00 2.71 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 0.00 152 D 8.67 4.67 0.00 2.84 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 0.00 153 G 6.75 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 0.00 0.00 0.00 0.00 154 I 7.73 5.20 2.07 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 1.36 0.85 1.19 0.00 0.00 155 I 9.03 4.93 1.88 0.00 0.00 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 1.11 1.00 0.85 0.00 0.00 156 V 8.21 4.70 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 0.73 0.00 0.00 0.53 0.00 0.00 157 V 9.50 3.75 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 0.76 0.00 0.00 1.03 0.00 0.00