NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -2 S 4.4475 8.3193 116.7976 58.5365 65.0210 172.6456 -1 N 4.5310 7.5552 115.2633 51.2348 39.6993 174.0684 0 A 4.2192 8.9138 122.1937 52.3874 16.6439 177.8960 3 E 4.2768 8.7481 124.7025 56.5287 28.3716 177.4659 4 I 3.5816 7.7514 117.4524 64.3483 37.2212 177.6154 5 F 4.5598 7.9286 116.9324 60.0301 39.6514 177.2789 6 I 3.9474 7.8393 121.0032 64.0233 37.3427 176.4202 7 R 4.7257 7.3865 118.6548 55.9773 30.0954 176.7912 8 A 4.2308 7.6347 119.9133 51.6127 19.2885 177.8603 9 N 4.3783 8.6857 119.1813 53.9053 39.2836 175.4293 10 Q 3.9476 8.8761 126.2088 59.4374 29.3615 178.5645 11 R 3.9226 7.9339 118.3204 58.5876 30.0000 178.8478 12 S 4.3280 8.2000 114.7579 60.6063 62.5980 174.8174 13 Y 5.1615 6.9646 117.7485 56.5821 38.6982 176.2470 14 S 4.4446 7.9626 115.7446 58.4373 64.7399 173.2842 15 V 4.4986 8.3297 122.3553 62.4347 32.5875 174.9465 16 Q 4.7533 9.4889 126.5905 53.9809 31.6043 174.4983 17 A 4.6348 8.8059 126.9289 51.7537 19.3181 176.5173 18 R 4.8253 9.5824 121.7520 54.3403 34.3389 174.7172 19 S 5.4347 8.3294 114.0160 57.1005 66.6456 172.6182 20 L 4.5380 8.5945 119.2450 55.1055 44.1103 173.8907 21 R 4.9149 8.4489 118.9043 54.8586 31.6522 175.9819 22 L 4.4334 8.7047 124.5303 54.2505 43.2331 176.3175 23 H 4.1478 10.0675 120.2888 56.7415 26.3486 175.9824 24 G 3.8818 8.4763 105.9452 45.2242 0.0000 173.9051 25 V 4.2507 7.8974 121.0559 60.7633 33.1314 175.0024 26 A 4.4965 8.6562 130.1910 52.7345 19.1356 176.6045 27 T 4.5861 8.8672 118.4340 61.7847 72.7171 172.8242 28 S 5.1779 8.8306 120.9582 56.8406 64.2028 173.1543 29 V 4.4130 9.1475 127.1174 61.3852 34.1156 174.4634 30 R 5.0106 8.8028 128.0297 54.9081 31.0392 175.6641 31 L 4.6244 8.4617 124.2567 52.0817 45.6299 176.3890 32 E 4.4537 8.5847 121.2529 57.0633 30.3054 177.7357 33 Q 4.2594 9.2791 124.7318 59.7949 29.0645 179.2266 34 L 4.0052 8.4606 121.1585 58.1237 41.9623 179.0137 35 F 3.8675 8.4435 117.7720 60.0119 38.7828 177.5030 36 W 4.4541 8.1819 118.1773 60.0639 28.9003 178.0241 37 D 4.4440 8.5069 118.7900 57.4570 40.2002 179.1393 38 V 3.5864 7.9826 118.7238 65.9682 31.4520 178.0008 39 L 3.8961 8.2811 119.1378 57.9063 41.3771 179.4235 40 E 4.0064 8.4655 118.5528 59.2585 29.3672 179.0305 41 E 3.9100 8.2000 119.4263 59.2434 29.5085 178.8643 42 I 3.2956 7.5968 118.7599 64.1190 37.4530 177.7995 43 A 4.1114 8.1819 121.5609 55.3771 18.2608 179.5500 44 A 3.9723 8.1914 119.1756 55.3898 17.9874 179.8366 45 R 4.2108 8.1060 117.9193 57.9243 29.7900 177.9223 46 D 4.7785 7.7451 116.1710 53.3334 41.3056 175.7483 47 G 3.7306 7.7032 111.2140 45.9571 0.0000 173.9343 *49 R 4.1516 7.6516 122.4448 55.8507 32.9620 176.1846 50 V 3.7387 8.3035 122.1833 65.2557 31.2681 178.8360 51 T 3.9876 7.8930 110.0456 64.6900 68.6616 176.3031 52 Q 4.4663 8.0142 123.3316 58.1091 29.1274 177.4715 53 L 3.9912 8.1213 121.5505 58.3368 42.0598 179.1049 54 I 3.9378 8.0526 119.6055 64.4160 37.0271 178.0209 55 E 4.0331 8.5007 119.5715 59.8347 29.4102 179.8360 56 R 4.0368 8.3414 117.8777 59.1773 30.0531 179.1792 57 L 4.1464 8.3700 118.9148 57.9688 41.6639 178.5717 58 Y 3.7404 8.5261 119.6536 61.0208 38.5987 178.1459 59 D 4.3955 8.3353 119.3548 57.6271 40.9749 178.8348 60 E 4.0266 8.3952 118.9960 58.9787 29.3290 179.1909 61 L 3.8243 8.2065 121.0074 58.0293 42.0661 178.9603 62 V 3.3747 7.5206 118.2639 66.3121 31.1305 178.0478 63 Q 3.9576 7.7692 116.3103 58.9420 28.5720 177.8058 64 Y 4.3566 7.9527 119.7435 60.0299 39.1071 176.8286 65 R 4.2698 8.4313 116.2798 55.7018 31.4067 176.7824 66 G 4.0137 9.9910 107.3267 45.2380 0.0000 172.9119 67 E 4.4472 7.3625 114.2161 55.5592 32.6535 175.0410 68 A 4.3899 7.7801 121.2852 50.5958 18.1971 176.5598 69 A 4.1288 7.4908 124.5163 52.5434 19.9650 177.2240 70 N 4.2735 8.8316 115.0099 54.3756 36.6012 176.8190 71 F 4.4597 8.3802 120.8566 61.8320 39.8626 175.6965 72 T 3.6700 7.9849 114.9024 66.7251 68.3303 176.5652 73 S 4.0235 8.0244 116.5334 61.4465 62.8137 176.2818 74 F 4.1372 8.5369 123.6336 61.3798 39.1357 177.1850 75 L 3.5517 7.6738 118.4127 57.5628 41.2807 179.6185 76 R 3.8460 7.6526 117.9735 59.4277 29.9792 179.3788 77 V 3.5979 7.7378 117.7380 65.7380 31.3900 177.6501 78 C 3.8119 7.9040 117.2032 63.0199 27.9885 175.8881 79 C 4.1061 7.9513 117.8679 62.7548 27.6805 176.0346 80 L 3.9595 8.1545 121.8181 58.3444 41.6631 179.2088 81 R 3.9120 8.6583 118.3688 59.2164 29.9426 178.2267 82 Y 4.1965 8.2014 119.4606 61.1136 38.6982 178.5459 83 Q 3.7101 7.9647 118.2842 58.6070 28.7099 178.6441 84 V 3.5408 7.9540 119.5124 66.1529 31.4812 178.1274 85 L 3.9316 8.1763 118.9106 57.8519 41.5235 179.6041 86 Q 4.3886 8.1661 119.1530 58.4054 28.3828 178.6032 87 A 3.9884 8.0360 121.1786 54.8870 18.5137 178.7046 88 E 4.2476 8.2327 114.5737 56.3295 29.8067 177.6540 89 G 3.8919 7.6839 107.2928 45.9993 0.0000 174.9156 90 R 4.1471 8.1260 120.3309 57.0268 30.9040 176.9443 91 I 4.4582 7.3256 118.6336 58.2334 39.4469 173.1214 92 P 4.3853 0.0000 0.0000 63.1183 31.9388 177.4166 93 A 4.6260 8.1992 126.9913 49.8740 17.0493 176.3433 94 D 4.3418 7.5400 120.0029 52.2879 42.9112 175.4326 95 A 4.3353 8.7608 129.9464 53.8246 18.4736 178.3639 96 T 4.2349 7.9828 105.8862 62.2268 69.8513 175.3178 97 V 3.9028 7.4436 122.2078 61.0784 31.7395 173.8672 98 P 4.7671 0.0000 0.0000 61.8372 32.1478 177.6772 99 I 3.7818 8.7790 123.0987 64.6281 37.2266 178.5843 100 R 4.0444 8.4087 118.5240 58.4741 29.9029 177.6841 101 S 4.3439 7.7699 111.2469 59.1850 63.5090 174.4032 102 L 4.2672 7.5852 121.5300 54.1368 42.6081 176.3564 103 D 4.6463 8.2901 119.0841 52.9869 41.8163 176.6207 104 A 3.9906 8.4881 130.3443 55.3185 18.5792 178.9928 105 Q 3.9115 8.1938 116.0251 58.8905 28.6545 178.3380 106 A 3.9740 7.8825 120.5898 55.2324 18.4796 179.5378 107 V 3.6297 7.6749 115.6473 65.8437 31.8435 177.5727 108 L 4.0529 7.9719 116.9333 53.8851 41.6942 176.6451 109 R 3.6995 7.1191 119.5781 57.8072 30.1682 175.9733 110 G 4.0000 8.6855 113.0064 46.4783 0.0000 173.4605 111 L 4.2471 7.1268 118.4798 53.0473 42.6055 175.6967 112 P 4.5013 0.0000 0.0000 62.3255 31.8371 177.7245 113 A 4.1030 8.6072 123.4057 55.0182 18.4896 179.4142 114 N 4.3431 8.1558 111.6527 54.6330 37.7750 175.7518 115 L 4.4646 7.8395 118.2308 55.6166 42.4054 175.4777 116 Y 4.7323 7.3472 114.4684 56.3966 40.7743 172.7342 117 D 4.6771 8.5246 120.3268 52.1493 42.7083 176.6240 118 S 4.1445 8.2374 121.1160 60.6801 63.3817 174.4555 119 R 4.0898 8.1233 122.6842 55.1766 29.9971 174.3597 120 P 4.6097 0.0000 0.0000 62.0388 32.3512 176.1040 121 L 4.2707 8.1841 119.4583 54.3736 42.2952 177.6884 122 G 3.8052 8.6294 108.4268 46.1054 0.0000 173.6073 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 S 8.32 4.45 0.00 3.89 4.01 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 -1 N 7.56 4.53 0.00 2.86 2.79 0.00 0.00 6.01 6.38 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 A 8.91 4.22 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 3 E 8.75 4.28 0.00 2.17 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 0.00 2.37 2.25 0.00 4 I 7.75 3.58 1.45 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 1.13 0.42 0.30 0.00 0.00 5 F 7.93 4.56 0.00 3.06 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 6 I 7.84 3.95 1.91 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 1.48 1.41 0.95 0.00 0.00 7 R 7.39 4.73 0.00 1.95 1.95 0.00 3.17 0.00 0.00 3.42 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.64 0.00 8 A 7.63 4.23 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 9 N 8.69 4.38 0.00 2.73 2.80 0.00 0.00 6.98 7.08 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 10 Q 8.88 3.95 0.00 2.15 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.68 0.00 0.00 0.00 0.00 0.00 2.19 2.24 0.00 11 R 7.93 3.92 0.00 1.95 1.94 0.00 3.27 0.00 0.00 3.34 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.60 0.00 12 S 8.20 4.33 0.00 4.16 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 13 Y 6.96 5.16 0.00 3.05 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 14 S 7.96 4.44 0.00 3.92 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 15 V 8.33 4.50 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 0.86 0.00 0.00 0.96 0.00 0.00 16 Q 9.49 4.75 0.00 2.16 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.78 0.00 0.00 0.00 0.00 0.00 2.54 2.76 0.00 17 A 8.81 4.63 1.29 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 0.00 0.00 18 R 9.58 4.83 0.00 1.52 1.51 0.00 2.57 0.00 0.00 2.42 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.56 0.00 19 S 8.33 5.43 0.00 3.94 3.81 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 20 L 8.59 4.54 0.00 1.73 1.79 1.01 1.12 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 21 R 8.45 4.91 0.00 1.69 1.76 0.00 3.15 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 1.55 1.63 0.00 22 L 8.70 4.43 0.00 1.11 0.99 0.01 0.77 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 23 H 10.07 4.15 0.00 3.24 3.30 0.00 5.73 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 24 G 8.48 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 0.00 0.00 0.00 25 V 7.90 4.25 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 0.96 0.00 0.00 0.91 0.00 0.00 26 A 8.66 4.50 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 27 T 8.87 4.59 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 1.21 0.00 0.00 28 S 8.83 5.18 0.00 3.92 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 29 V 9.15 4.41 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 0.83 0.00 0.00 1.16 0.00 0.00 30 R 8.80 5.01 0.00 1.74 1.92 0.00 3.24 0.00 0.00 3.26 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.70 0.00 31 L 8.46 4.62 0.00 0.27 0.83 -0.33 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 32 E 8.58 4.45 0.00 2.21 2.30 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 2.52 2.46 0.00 33 Q 9.28 4.26 0.00 2.28 2.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.79 0.00 0.00 0.00 0.00 0.00 2.43 2.53 0.00 34 L 8.46 4.01 0.00 1.96 1.67 0.92 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 35 F 8.44 3.87 0.00 3.17 2.88 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 36 W 8.18 4.45 0.00 3.64 3.18 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 37 D 8.51 4.44 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 38 V 7.98 3.59 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 1.14 0.00 0.00 0.85 0.00 0.00 39 L 8.28 3.90 0.00 2.03 1.78 0.74 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 40 E 8.47 4.01 0.00 2.30 2.04 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 2.40 2.56 0.00 41 E 8.20 3.91 0.00 2.08 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 0.00 2.37 2.40 0.00 42 I 7.60 3.30 1.73 0.00 0.00 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.24 -0.17 0.67 0.00 0.00 43 A 8.18 4.11 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 44 A 8.19 3.97 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.11 4.21 0.00 2.09 2.04 0.00 3.33 0.00 0.00 3.38 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.75 0.00 46 D 7.75 4.78 0.00 2.65 2.64 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 47 G 7.70 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 *49 R 7.65 4.15 0.00 1.91 1.92 0.00 3.14 0.00 0.00 3.39 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.71 0.00 50 V 8.30 3.74 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 0.97 0.00 0.00 1.11 0.00 0.00 51 T 7.89 3.99 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 1.23 0.00 0.00 52 Q 8.01 4.47 0.00 2.17 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.92 0.00 0.00 0.00 0.00 0.00 2.46 2.44 0.00 53 L 8.12 3.99 0.00 1.84 1.90 0.95 0.88 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 54 I 8.05 3.94 2.19 0.00 0.00 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 1.66 0.73 1.28 0.00 0.00 55 E 8.50 4.03 0.00 2.26 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 0.00 2.35 2.58 0.00 56 R 8.34 4.04 0.00 2.13 2.05 0.00 3.17 0.00 0.00 3.21 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.73 0.00 57 L 8.37 4.15 0.00 2.23 2.20 1.06 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 58 Y 8.53 3.74 0.00 2.80 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 59 D 8.34 4.40 0.00 2.97 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 60 E 8.40 4.03 0.00 2.02 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 2.48 0.00 61 L 8.21 3.82 0.00 1.58 1.49 0.55 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 62 V 7.52 3.37 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 0.97 0.00 0.00 0.32 0.00 0.00 63 Q 7.77 3.96 0.00 2.26 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.76 0.00 0.00 0.00 0.00 0.00 2.39 2.55 0.00 64 Y 7.95 4.36 0.00 2.95 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 65 R 8.43 4.27 0.00 1.95 1.84 0.00 3.31 0.00 0.00 3.11 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.75 0.00 66 G 9.99 4.01 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 0.00 0.00 0.00 67 E 7.36 4.45 0.00 1.97 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 2.12 2.24 0.00 68 A 7.78 4.39 0.53 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 0.00 0.00 69 A 7.49 4.13 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 70 N 8.83 4.27 0.00 2.97 2.93 0.00 0.00 6.61 8.13 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 71 F 8.38 4.46 0.00 3.39 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 72 T 7.98 3.67 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 1.11 0.00 0.00 73 S 8.02 4.02 0.00 4.04 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 74 F 8.54 4.14 0.00 3.15 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 75 L 7.67 3.55 0.00 1.50 1.36 0.46 0.57 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 76 R 7.65 3.85 0.00 1.82 1.63 0.00 2.81 0.00 0.00 2.48 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 1.42 0.00 77 V 7.74 3.60 1.99 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 1.02 0.00 0.00 0.91 0.00 0.00 78 C 7.90 3.81 0.00 2.88 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 79 C 7.95 4.11 0.00 3.34 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 80 L 8.15 3.96 0.00 1.89 1.71 0.95 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 81 R 8.66 3.91 0.00 1.93 1.99 0.00 3.23 0.00 0.00 3.09 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.77 0.00 82 Y 8.20 4.20 0.00 3.03 3.20 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 83 Q 7.96 3.71 0.00 2.18 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.56 0.00 0.00 0.00 0.00 0.00 2.59 2.45 0.00 84 V 7.95 3.54 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 1.10 0.00 0.00 0.96 0.00 0.00 85 L 8.18 3.93 0.00 1.80 1.66 0.94 1.01 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 86 Q 8.17 4.39 0.00 1.97 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.80 0.00 0.00 0.00 0.00 0.00 2.26 1.80 0.00 87 A 8.04 3.99 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 88 E 8.23 4.25 0.00 1.90 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 2.30 2.46 0.00 89 G 7.68 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 90 R 8.13 4.15 0.00 1.88 1.95 0.00 3.06 0.00 0.00 3.32 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.55 0.00 91 I 7.33 4.46 1.78 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.05 0.94 0.00 0.00 92 P 0.00 4.39 0.00 2.03 2.00 0.00 3.68 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.09 0.00 93 A 8.20 4.63 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 94 D 7.54 4.34 0.00 2.71 2.51 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 0.00 0.00 0.00 0.00 95 A 8.76 4.34 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 96 T 7.98 4.23 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 1.22 0.00 0.00 97 V 7.44 3.90 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 0.80 0.00 0.00 0.98 0.00 0.00 98 P 0.00 4.77 0.00 2.23 2.04 0.00 3.95 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.08 0.00 99 I 8.78 3.78 1.89 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.98 0.95 0.00 0.00 100 R 8.41 4.04 0.00 1.87 2.01 0.00 3.17 0.00 0.00 3.29 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.72 0.00 101 S 7.77 4.34 0.00 4.01 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 0.00 102 L 7.59 4.27 0.00 1.77 1.64 0.94 0.87 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 0.00 103 D 8.29 4.65 0.00 2.70 2.55 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 0.00 104 A 8.49 3.99 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 0.00 105 Q 8.19 3.91 0.00 2.21 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.83 0.00 0.00 0.00 0.00 0.00 2.47 2.39 0.00 106 A 7.88 3.97 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 0.00 107 V 7.67 3.63 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 0.84 0.00 0.00 1.02 0.00 0.00 108 L 7.97 4.05 0.00 1.53 1.06 0.98 0.59 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 0.00 109 R 7.12 3.70 0.00 1.88 1.96 0.00 3.39 0.00 0.00 3.21 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.58 0.00 110 G 8.69 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 0.00 0.00 0.00 111 L 7.13 4.25 0.00 1.23 1.61 0.71 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 112 P 0.00 4.50 0.00 2.45 2.01 0.00 3.64 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 2.14 2.11 0.00 113 A 8.61 4.10 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 0.00 114 N 8.16 4.34 0.00 2.87 2.98 0.00 0.00 6.00 7.79 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 0.00 115 L 7.84 4.46 0.00 1.93 1.83 0.94 0.69 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 Y 7.35 4.73 0.00 3.13 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 0.00 117 D 8.52 4.68 0.00 2.74 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 0.00 118 S 8.24 4.14 0.00 4.00 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 0.00 119 R 8.12 4.09 0.00 1.83 2.08 0.00 3.21 0.00 0.00 3.22 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.61 0.00 120 P 0.00 4.61 0.00 2.27 2.09 0.00 3.89 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.03 0.00 121 L 8.18 4.27 0.00 1.63 1.63 0.88 0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 122 G 8.63 3.81 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 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.