NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 N 4.3791 8.4093 118.1179 52.3221 39.9510 173.9531 3 P 3.9563 0.0000 0.0000 61.4990 32.2749 173.6289 4 T 4.0396 8.4831 114.7764 60.1407 69.9816 174.8827 5 F 5.0869 8.1129 126.6089 56.1445 40.8950 174.4952 6 H 4.9597 8.7927 118.5192 53.9204 30.9315 173.6943 7 A 4.4738 8.4090 120.2519 52.3442 19.2505 177.5232 8 D 4.5165 8.1648 115.2008 55.1899 41.8104 175.9541 9 K 4.6472 7.6428 118.0473 52.9550 35.4169 174.0831 10 P 4.1427 0.0000 0.0000 62.5911 32.7596 177.6926 11 I 3.4863 8.1701 123.0962 64.5942 37.0279 178.1992 12 Y 4.1666 7.6302 117.9916 60.3175 37.6522 178.6487 13 S 4.2548 7.0592 117.7103 60.9443 63.0120 176.4594 14 Q 4.0907 7.8795 120.2973 58.9196 28.1970 178.9827 15 I 4.1561 7.9447 120.4730 64.5643 37.2271 178.2521 16 S 4.4198 8.4993 115.2551 61.5944 62.7123 176.2724 17 D 4.4696 8.4717 122.5532 56.7742 40.5961 179.4498 18 W 4.0328 8.2018 125.6801 58.0733 30.2822 177.5512 *20 K 4.1040 7.9559 117.9890 55.8501 33.6909 177.5312 21 K 3.9555 7.6558 118.0439 59.5456 32.2321 179.8894 22 Q 3.2907 7.0800 116.0259 55.8324 27.3754 178.1606 *24 I 4.0159 7.7809 113.7880 60.8179 39.2715 176.3257 25 T 3.9883 7.5986 109.1369 61.6562 69.1023 175.7210 26 G 3.8502 7.9737 109.9804 45.7771 0.0000 174.1879 27 E 4.0390 7.5473 119.4995 58.0761 29.5420 177.5165 28 W 4.9622 7.8277 118.2726 54.8312 31.0896 175.7423 29 K 4.4477 9.2355 123.4854 53.9885 33.7039 176.0512 30 G 4.2677 8.2027 108.2444 46.8926 0.0000 174.0759 31 E 4.1230 9.4896 121.7196 56.1381 28.6184 174.7555 32 D 4.5111 7.9523 119.9124 54.5427 42.0375 175.4991 33 K 4.0539 8.4803 124.3543 55.7383 32.8785 176.3638 34 L 4.1079 7.9940 127.8231 52.9143 42.9008 175.1649 35 P 4.4369 0.0000 0.0000 62.2276 31.8984 176.7401 36 S 4.3697 8.6930 115.8245 58.0343 63.5745 175.0395 37 V 3.2348 8.0073 114.3848 64.4587 31.6981 178.3742 38 R 4.0174 7.9056 118.4674 59.3573 30.2068 179.2784 39 E 3.8266 8.1725 114.7175 56.9904 28.9556 179.0441 *41 G 3.8333 8.2192 110.1546 45.7159 0.0000 176.1733 42 V 3.5329 7.8498 120.0812 65.4641 31.8026 177.8794 43 K 3.9190 8.2434 119.9728 59.2356 31.9707 177.3308 44 L 4.2337 7.9488 114.9971 54.0504 42.4171 175.8320 45 A 3.7592 7.5176 120.6548 53.4511 16.4350 177.2877 46 V 4.4011 7.8663 118.7221 60.6924 35.1533 175.0687 47 N 4.2527 8.6958 123.3080 53.7651 39.9307 174.2505 48 P 4.2713 0.0000 0.0000 65.8183 31.5827 178.4124 49 N 4.2979 8.6796 116.9346 56.5394 38.2700 177.4163 50 T 3.9513 7.6764 116.7509 66.4716 68.5538 176.8725 51 V 3.6406 7.6795 119.9893 66.0325 31.4930 177.8964 52 S 3.9393 8.3165 113.3068 61.4882 62.1631 176.2086 53 R 3.8178 7.9299 120.6428 59.1455 29.7102 178.4461 54 A 4.2103 7.9386 120.5746 55.4432 18.3739 179.2206 55 Y 4.1055 8.6687 115.6343 61.3797 37.8788 178.8005 56 Q 4.0657 8.6857 119.4452 58.8842 28.6678 178.4769 57 E 3.9869 8.3539 120.2753 59.4946 29.6931 179.0076 58 L 4.2220 8.1120 119.0074 57.7123 41.6541 179.1642 59 E 4.3382 8.6346 121.1474 58.7579 29.4075 178.7230 60 R 3.9259 8.1630 117.7254 58.9815 30.2193 177.4222 61 A 4.3970 7.6747 117.8987 51.7452 19.1598 177.8923 62 G 3.7554 7.8010 105.5983 45.5991 0.0000 174.2840 63 Y 4.5287 8.1457 119.2708 59.2888 39.1246 175.3263 64 I 5.4770 7.8950 111.5724 59.3469 41.7258 173.7747 65 Y 5.0667 8.9782 119.8935 55.6068 41.7658 173.5466 66 A 5.3798 8.8688 121.3881 50.2518 21.7554 176.0447 67 K 4.6445 8.6131 119.7659 53.9450 34.7468 176.6609 68 R 3.7674 8.8236 122.9949 57.9746 30.7803 176.6786 69 G 3.8430 8.6511 114.2785 46.6923 0.0000 171.6301 *71 G 3.8026 7.1943 104.4960 46.3148 0.0000 171.7506 72 S 5.3793 8.1717 114.6595 56.9210 66.0766 173.4966 73 F 5.0147 8.5986 120.3699 55.3607 43.6998 174.2769 74 V 4.1547 8.6626 122.4012 62.9757 32.3593 175.6820 75 T 4.5584 9.0795 125.4025 64.2029 69.4477 174.4053 76 S 4.6324 8.7221 121.7350 58.0646 63.1069 173.2395 77 D 4.6016 8.3903 123.2964 52.2382 42.3927 174.9765 78 K 4.0812 8.5544 127.7846 59.1655 32.4063 177.9269 79 A 4.0312 8.0718 120.6486 54.9447 18.4373 179.1714 80 L 3.7821 8.1624 118.8270 58.4773 42.1158 179.3439 81 F 4.2930 8.2494 117.6932 60.4464 38.8179 177.4201 82 D 4.4150 8.7410 119.2354 57.5779 40.6149 178.7149 83 Q 4.0187 8.2332 120.0233 58.7609 28.9455 177.8436 84 L 3.9742 7.9522 121.4865 58.0494 42.0912 178.8569 85 K 3.9081 8.3525 119.7649 59.3213 32.0260 178.6047 86 K 3.9195 8.0960 119.9266 59.6668 32.1456 178.7021 87 E 3.9820 8.3803 118.8708 59.3635 29.3530 179.3746 88 L 4.0189 8.3012 119.1528 57.5497 41.6625 179.3687 89 A 3.9870 8.3150 121.0829 55.2921 18.3181 179.3404 90 D 4.3212 8.3879 117.3741 57.5095 40.8975 178.9974 91 A 4.0155 8.0799 121.2287 55.1749 18.3687 179.7509 92 I 3.7249 7.9513 118.6365 64.7505 37.1731 178.8345 93 T 3.9575 8.0277 110.7333 64.5826 68.6453 176.2812 94 E 3.9326 8.4039 122.2377 59.3138 29.6732 179.1426 95 R 3.9743 8.1549 118.0284 58.9625 29.9712 178.8067 96 F 4.0918 8.3166 120.6026 61.4801 39.4439 177.3114 97 L 3.9566 8.1422 118.5613 57.7052 41.4153 179.4006 98 E 3.9528 8.3661 118.7740 59.3065 28.8717 178.9845 99 E 3.8747 8.6045 119.6786 58.8893 29.5862 178.6490 100 A 3.7710 7.9210 121.1804 55.0501 18.4464 179.3843 101 K 3.7741 8.0593 118.3650 59.7516 31.9767 178.9515 102 S 4.2924 7.8505 113.3571 60.0916 62.9851 175.3941 103 I 4.3695 6.9493 114.3315 60.0504 37.6352 175.8413 104 G 3.7291 7.6841 107.1147 46.4788 0.0000 173.5977 105 L 4.3023 7.8658 122.4669 53.1622 42.1675 176.8931 106 D 4.6074 8.3554 126.5491 53.0007 41.4983 176.6629 107 D 4.4121 8.6038 120.3951 57.7837 40.8856 179.1545 108 Q 4.0127 8.1079 117.7778 59.4208 28.7973 178.9970 109 T 3.8920 8.6615 116.7992 66.4712 68.4914 176.6241 110 A 4.0813 8.1734 122.6757 55.3565 18.3731 179.7905 111 I 3.7307 8.1535 118.5712 64.4694 37.1051 178.2711 112 E 3.9346 8.3317 120.1654 59.2974 29.3720 178.8763 113 L 3.9958 8.1594 119.0683 57.6375 41.6377 179.2954 114 L 3.9524 8.1184 120.2347 58.2539 42.0883 179.0378 115 I 3.6915 8.0253 120.0747 64.2057 36.7895 178.3315 116 K 3.9097 8.0492 119.5772 59.4964 32.2643 178.5100 117 R 4.0156 8.3128 119.3359 59.5150 29.7938 178.3388 118 S 4.0640 8.2732 112.2854 61.1587 62.4538 175.5129 119 R 4.1794 7.7899 117.7031 55.5847 30.2213 176.2444 120 N 4.6348 8.1379 122.2816 53.7781 39.1942 173.9201 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 2 N 8.41 4.38 0.00 2.57 2.53 0.00 0.00 6.98 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 3 P 0.00 3.96 0.00 1.51 1.14 0.00 2.83 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.59 0.00 4 T 8.48 4.04 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 1.09 0.00 0.00 5 F 8.11 5.09 0.00 3.05 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 6 H 8.79 4.96 0.00 3.20 3.31 0.00 5.74 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 A 8.41 4.47 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 8 D 8.16 4.52 0.00 2.65 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 9 K 7.64 4.65 0.00 1.78 1.58 0.00 1.85 0.00 0.00 1.74 0.00 0.00 2.99 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.23 1.40 7.81 10 P 0.00 4.14 0.00 1.09 1.35 0.00 3.48 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 2.05 0.00 11 I 8.17 3.49 1.70 0.00 0.00 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.70 0.23 0.00 0.00 12 Y 7.63 4.17 0.00 3.32 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 13 S 7.06 4.25 0.00 3.81 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 14 Q 7.88 4.09 0.00 2.37 2.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.82 0.00 0.00 0.00 0.00 0.00 2.38 2.49 0.00 15 I 7.94 4.16 2.21 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 1.78 0.53 1.31 0.00 0.00 16 S 8.50 4.42 0.00 4.15 4.29 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 17 D 8.47 4.47 0.00 2.98 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 18 W 8.20 4.03 0.00 3.42 3.53 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 *20 K 7.96 4.10 0.00 1.87 1.70 0.00 1.68 0.00 0.00 1.42 0.00 0.00 2.62 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.79 1.41 7.81 21 K 7.66 3.96 0.00 1.76 1.68 0.00 1.68 0.00 0.00 1.61 0.00 0.00 2.93 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.38 1.55 7.81 22 Q 7.08 3.29 0.00 0.93 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.02 6.38 0.00 0.00 0.00 0.00 0.00 1.16 1.16 0.00 *24 I 7.78 4.02 1.86 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.48 1.09 0.00 0.00 25 T 7.60 3.99 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 1.15 0.00 0.00 26 G 7.97 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 27 E 7.55 4.04 0.00 1.81 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 2.20 2.40 0.00 28 W 7.83 4.96 0.00 3.17 2.87 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 29 K 9.24 4.45 0.00 1.76 1.73 0.00 1.67 0.00 0.00 1.75 0.00 0.00 2.92 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.40 1.52 7.81 30 G 8.20 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 0.00 0.00 0.00 0.00 31 E 9.49 4.12 0.00 2.18 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 0.00 2.29 2.46 0.00 32 D 7.95 4.51 0.00 2.82 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 33 K 8.48 4.05 0.00 1.71 1.56 0.00 1.73 0.00 0.00 1.62 0.00 0.00 2.75 0.00 0.00 2.72 0.00 0.00 0.00 0.00 1.04 0.54 7.81 34 L 7.99 4.11 0.00 1.39 1.33 0.63 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 35 P 0.00 4.44 0.00 2.10 1.98 0.00 3.54 0.00 0.00 3.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 1.98 0.00 36 S 8.69 4.37 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 37 V 8.01 3.23 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 0.13 0.00 0.00 0.79 0.00 0.00 38 R 7.91 4.02 0.00 1.82 1.94 0.00 3.10 0.00 0.00 3.30 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.59 0.00 39 E 8.17 3.83 0.00 2.25 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 2.31 2.23 0.00 *41 G 8.22 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 0.00 0.00 0.00 42 V 7.85 3.53 2.21 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 0.91 0.00 0.00 0.94 0.00 0.00 43 K 8.24 3.92 0.00 1.84 1.91 0.00 1.78 0.00 0.00 1.77 0.00 0.00 3.20 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.60 1.54 7.81 44 L 7.95 4.23 0.00 1.74 1.86 1.11 0.47 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 45 A 7.52 3.76 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 46 V 7.87 4.40 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 0.66 0.00 0.00 0.81 0.00 0.00 47 N 8.70 4.25 0.00 2.84 2.67 0.00 0.00 6.85 7.71 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 48 P 0.00 4.27 0.00 2.24 2.24 0.00 3.72 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 2.03 2.02 0.00 49 N 8.68 4.30 0.00 2.84 2.88 0.00 0.00 6.87 7.85 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 50 T 7.68 3.95 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 1.23 0.00 0.00 51 V 7.68 3.64 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 0.92 0.00 0.00 0.98 0.00 0.00 52 S 8.32 3.94 0.00 3.80 3.95 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 53 R 7.93 3.82 0.00 1.74 1.80 0.00 2.72 0.00 0.00 2.25 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 1.28 0.00 54 A 7.94 4.21 1.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 Y 8.67 4.11 0.00 3.09 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 56 Q 8.69 4.07 0.00 2.24 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.80 0.00 0.00 0.00 0.00 0.00 2.42 2.55 0.00 57 E 8.35 3.99 0.00 2.25 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 2.43 2.46 0.00 58 L 8.11 4.22 0.00 1.95 1.84 0.95 0.95 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 59 E 8.63 4.34 0.00 2.17 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 2.37 2.43 0.00 60 R 8.16 3.93 0.00 2.02 2.19 0.00 3.32 0.00 0.00 3.25 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.67 0.00 61 A 7.67 4.40 1.42 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 0.00 0.00 62 G 7.80 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 0.00 0.00 0.00 63 Y 8.15 4.53 0.00 3.03 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 64 I 7.89 5.48 1.92 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.00 0.95 0.00 0.00 65 Y 8.98 5.07 0.00 3.11 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 66 A 8.87 5.38 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 67 K 8.61 4.64 0.00 1.91 1.77 0.00 1.39 0.00 0.00 1.49 0.00 0.00 2.80 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.45 1.34 7.81 68 R 8.82 3.77 0.00 1.80 1.90 0.00 3.41 0.00 0.00 3.25 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.67 0.00 69 G 8.65 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 0.00 0.00 0.00 *71 G 7.19 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 72 S 8.17 5.38 0.00 3.68 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 73 F 8.60 5.01 0.00 1.63 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 74 V 8.66 4.15 2.34 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 0.85 0.00 0.00 1.01 0.00 0.00 75 T 9.08 4.56 4.65 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 1.29 0.00 0.00 76 S 8.72 4.63 0.00 3.96 3.88 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 77 D 8.39 4.60 0.00 2.69 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 78 K 8.55 4.08 0.00 1.92 1.84 0.00 1.80 0.00 0.00 1.85 0.00 0.00 3.01 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.64 1.57 7.81 79 A 8.07 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 80 L 8.16 3.78 0.00 1.77 1.67 0.58 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 81 F 8.25 4.29 0.00 3.21 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 82 D 8.74 4.41 0.00 2.95 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 83 Q 8.23 4.02 0.00 2.19 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.81 0.00 0.00 0.00 0.00 0.00 2.36 2.42 0.00 84 L 7.95 3.97 0.00 1.94 1.91 0.88 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 85 K 8.35 3.91 0.00 2.00 1.96 0.00 1.70 0.00 0.00 1.59 0.00 0.00 2.89 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.44 1.45 7.81 86 K 8.10 3.92 0.00 1.89 1.98 0.00 1.86 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.45 1.49 7.81 87 E 8.38 3.98 0.00 2.19 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 2.59 0.00 88 L 8.30 4.02 0.00 1.80 1.71 0.89 0.91 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 89 A 8.31 3.99 1.39 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 0.00 0.00 90 D 8.39 4.32 0.00 2.86 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 91 A 8.08 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 92 I 7.95 3.72 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 1.59 0.74 0.91 0.00 0.00 93 T 8.03 3.96 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 1.21 0.00 0.00 94 E 8.40 3.93 0.00 2.20 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 2.33 2.42 0.00 95 R 8.15 3.97 0.00 1.97 2.00 0.00 3.20 0.00 0.00 3.11 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.89 0.00 96 F 8.32 4.09 0.00 3.24 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 97 L 8.14 3.96 0.00 1.81 1.73 0.99 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 98 E 8.37 3.95 0.00 1.98 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 2.46 2.46 0.00 99 E 8.60 3.87 0.00 2.12 1.78 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 2.23 2.27 0.00 100 A 7.92 3.77 1.11 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 0.00 0.00 101 K 8.06 3.77 0.00 1.94 1.95 0.00 1.62 0.00 0.00 1.68 0.00 0.00 2.99 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.42 1.44 7.81 102 S 7.85 4.29 0.00 4.07 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 0.00 103 I 6.95 4.37 1.83 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 1.55 0.76 0.87 0.00 0.00 104 G 7.68 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 0.00 0.00 0.00 105 L 7.87 4.30 0.00 1.53 1.67 0.90 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 106 D 8.36 4.61 0.00 2.91 2.77 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 0.00 107 D 8.60 4.41 0.00 2.81 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 0.00 108 Q 8.11 4.01 0.00 2.31 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.91 0.00 0.00 0.00 0.00 0.00 2.46 2.47 0.00 109 T 8.66 3.89 4.36 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 1.22 0.00 0.00 110 A 8.17 4.08 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 0.00 111 I 8.15 3.73 1.92 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 1.44 0.89 0.92 0.00 0.00 112 E 8.33 3.93 0.00 2.06 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 2.32 2.37 0.00 113 L 8.16 4.00 0.00 2.08 1.77 0.95 0.39 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 0.00 114 L 8.12 3.95 0.00 1.91 1.82 0.80 0.40 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 0.00 115 I 8.03 3.69 2.00 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 1.39 0.77 0.90 0.00 0.00 116 K 8.05 3.91 0.00 1.82 2.01 0.00 1.81 0.00 0.00 1.64 0.00 0.00 2.98 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.45 7.81 117 R 8.31 4.02 0.00 1.97 2.05 0.00 3.18 0.00 0.00 3.11 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.64 0.00 118 S 8.27 4.06 0.00 3.89 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 0.00 119 R 7.79 4.18 0.00 1.84 1.95 0.00 3.34 0.00 0.00 3.22 7.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.82 0.00 120 N 8.14 4.63 0.00 2.86 2.82 0.00 0.00 6.77 8.22 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 * Residues marked with a * may have inaccurate shift predictions.