NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 P 4.3934 0.0000 0.0000 62.5430 32.0027 174.1513 6 T 3.4861 7.2471 110.2946 58.4398 70.7558 173.3735 7 I 3.6357 9.0318 127.0465 64.9422 38.1435 178.7195 8 N 4.2227 7.6998 116.2056 57.0460 38.6357 176.5561 9 Q 3.9918 8.1437 119.0742 59.2099 28.5306 178.9980 10 L 4.1395 7.9237 119.2442 57.9141 41.4529 179.6668 11 V 3.7175 7.6277 117.1113 65.7262 31.4055 177.6679 12 R 4.1968 7.4977 117.0220 58.8855 30.3050 178.3846 13 K 4.1950 8.6961 119.2288 56.1331 32.6542 178.9173 14 G 3.9850 7.6813 104.0928 45.0621 0.0000 172.7312 15 R 4.1886 7.9811 117.3844 55.5687 30.8736 175.8040 16 E 4.4747 8.2947 120.4244 53.8930 30.9410 175.4639 17 K 3.9817 8.8266 127.9141 56.8964 31.8545 176.3392 18 V 2.7959 7.4793 117.1633 60.7795 32.3318 172.6861 19 R 4.0106 8.1369 129.4124 56.2168 30.5062 175.7709 20 K 4.5867 8.2999 123.8757 54.8788 34.6587 175.8767 21 K 4.1488 8.3502 121.2664 55.4730 33.0383 176.6279 22 S 4.1342 8.5673 118.3347 57.9203 61.9099 174.4038 23 K 3.7643 8.5458 129.9378 58.1136 32.0587 176.5936 24 V 4.0093 7.5634 113.9067 62.6927 33.8717 171.1750 25 P 4.5488 0.0000 0.0000 61.7863 29.8352 175.9685 26 A 4.0802 7.9850 123.2938 52.2523 19.0714 178.4947 27 L 3.4312 7.1634 120.4365 54.6916 41.3302 174.6040 28 K 4.0776 9.5092 114.1465 57.5412 29.4591 174.8960 29 G 4.0303 8.1684 105.3775 46.1297 0.0000 174.0193 30 A 4.2504 8.4216 122.4259 50.6192 19.2457 177.1528 31 P 4.0658 0.0000 0.0000 65.2644 31.5336 176.1916 32 F 5.1188 7.5821 113.3025 56.5097 43.8529 174.0058 33 R 4.6595 8.6281 118.9886 55.3911 33.8450 173.6901 34 R 4.9166 8.8330 126.7443 55.9805 32.1142 175.2098 35 G 4.5115 8.9836 111.5634 45.5214 0.0000 170.9861 36 V 4.9643 8.7895 118.9063 60.8988 34.6533 174.8352 37 C 4.8706 8.7831 125.1535 60.1926 28.0426 173.5719 38 T 4.5101 9.1114 112.7657 62.0958 71.0796 174.7996 39 V 4.3294 7.5626 121.5934 61.5209 35.1432 173.5648 40 V 4.5618 8.5706 127.9628 61.2861 31.7181 174.2554 41 R 4.6717 8.2735 128.6647 54.8649 33.5573 174.2052 42 T 4.5269 8.2687 113.8497 61.4986 69.3052 174.4315 43 V 4.4438 8.3518 123.8343 60.1990 34.6404 174.8891 44 T 5.0981 8.1626 110.4913 59.3176 71.1905 172.3113 45 P 5.3764 0.0000 0.0000 61.1677 32.4175 178.0269 46 K 4.8445 8.8218 129.5203 56.2913 31.8187 178.5867 47 K 4.9798 7.7677 112.1340 54.6923 33.9106 174.3895 48 P 4.4810 0.0000 0.0000 63.0467 31.2291 175.4261 49 N 4.9724 7.7522 115.2573 52.6418 41.1578 174.9392 50 S 4.3471 8.2865 113.9121 57.5340 64.2528 172.5044 51 A 4.5615 8.0341 130.9072 51.7765 21.5040 174.3220 52 L 5.3286 7.9737 110.7919 52.6268 41.6966 177.7939 53 R 3.9854 8.0696 117.0299 56.8750 31.9792 177.2889 54 K 4.4903 8.5710 122.4504 55.4005 33.3825 175.8506 55 V 4.8668 8.1098 123.3933 61.0504 35.6624 174.0810 56 A 5.0133 8.6017 124.7432 50.3771 23.0261 175.5629 57 K 4.5731 9.4679 123.2951 56.0537 33.5006 176.2352 58 V 4.7709 9.2206 126.0074 60.9163 34.4595 174.2263 59 R 4.5715 9.2761 129.4977 55.7930 30.8706 175.9019 60 L 4.6638 7.8916 126.5734 53.1557 43.1567 177.6048 61 T 4.3488 7.7237 111.7287 59.9006 67.7261 175.5215 62 S 4.4644 7.8679 109.6192 58.0055 63.5701 177.7799 63 G 4.0031 8.6382 107.7481 47.6103 0.0000 174.6547 64 Y 4.1878 7.8145 117.8356 59.4569 39.7002 173.4828 65 E 5.8968 8.0279 125.9212 57.2047 32.3282 177.3354 66 V 4.8054 8.2479 120.4362 59.6674 36.7885 174.7103 67 T 4.9164 8.5695 111.8033 61.1032 70.1617 174.0755 68 A 5.1002 8.8936 125.3124 50.2816 23.2062 174.5309 69 Y 4.2161 9.3930 122.5013 57.6429 40.2614 174.9284 70 I 4.4091 7.0529 128.1633 58.6172 36.5083 173.8481 71 P 4.5635 0.0000 0.0000 62.6908 32.0947 175.4247 72 G 3.9292 8.7911 104.1885 44.9179 0.0000 174.2433 73 E 4.2735 8.5720 119.8361 54.4595 28.0055 176.1051 74 G 4.2085 9.5748 109.5523 45.4814 0.0000 170.0233 75 H 4.7191 8.0021 112.0565 55.1153 30.4327 171.7006 76 N 4.5413 8.3111 112.6174 55.8810 39.0376 175.2298 77 L 3.4498 6.4255 116.0177 52.7027 40.4631 175.5002 78 Q 4.7234 9.3114 122.2698 53.5420 31.8624 176.5704 79 E 4.1523 8.5075 119.1788 56.2682 28.4830 176.1188 80 H 4.5469 7.7414 112.3449 55.5930 33.8604 175.3175 81 S 4.2875 8.0311 116.9331 58.6554 63.6804 173.6501 82 V 4.3247 8.5002 123.7826 62.5745 32.7608 174.8721 83 V 4.7068 8.8296 126.2760 61.4317 35.7823 173.0602 84 L 5.1197 8.6266 125.9853 53.5984 44.3208 174.7921 85 I 4.8753 8.6619 126.0966 60.0079 39.1650 176.0769 86 R 4.2746 9.8007 127.3869 56.2266 31.8446 172.7796 87 G 3.7907 9.8111 112.9546 45.6840 0.0000 172.5883 88 G 3.7968 7.7702 108.6453 44.0496 0.0000 172.4721 89 R 4.2038 8.5576 121.8319 55.9931 30.4961 176.5567 90 V 4.0857 7.7923 115.8620 60.8174 32.3564 175.6855 91 K 4.0801 8.1875 128.5370 59.1502 32.7228 176.6572 92 D 4.9291 7.9788 116.6681 53.8926 41.1689 176.1891 93 L 5.1770 8.3441 121.2693 52.1313 43.1277 173.8049 94 P 4.3801 0.0000 0.0000 63.7288 32.3881 175.6689 95 G 4.2423 8.9416 113.2721 45.8194 0.0000 174.3180 96 V 3.7537 7.4628 124.0760 63.1616 31.1377 175.5260 97 R 4.5762 8.5196 126.1679 55.6548 31.9735 174.7433 98 Y 5.1703 7.9130 115.2055 56.9313 42.8812 173.4833 99 H 5.4178 9.0596 118.2499 54.0900 32.3862 173.0877 100 I 4.4800 9.1324 124.7948 60.9199 37.9147 175.8781 101 V 3.8790 8.6219 128.2084 62.2006 31.5545 176.3317 102 R 4.0015 8.5700 127.3660 57.3980 30.5799 176.6062 103 G 3.8804 8.4106 107.2180 46.1603 0.0000 173.7057 104 V 4.0893 6.8228 116.8103 61.7051 35.0520 176.5798 105 Y 3.6289 8.1861 123.1553 58.9266 36.2313 171.2405 106 D 4.4355 8.3225 122.6749 56.8260 41.3617 175.8011 107 A 4.5745 8.0854 123.2457 50.7369 20.3544 177.5151 108 A 4.4223 9.0862 125.2249 51.7276 20.2693 176.3499 109 G 4.3895 8.2614 105.7533 43.4856 0.0000 173.9234 110 V 3.8214 7.9805 122.2134 62.7140 31.5561 176.0371 111 K 4.0605 8.6908 129.7244 57.5470 32.7417 177.4046 112 D 4.6353 8.8205 123.0339 54.3821 38.9357 174.3287 113 R 4.0021 7.5086 119.8368 56.2380 30.3598 175.9673 114 K 4.5888 8.4509 123.5905 57.1000 35.8142 177.1336 115 K 4.5415 7.5932 120.3588 55.5694 30.4394 180.2830 116 S 4.1502 9.0145 129.0269 60.1932 62.5862 173.3703 117 R 4.5315 8.4494 124.3245 56.7977 32.5476 178.1860 118 S 4.0853 8.4914 111.7688 61.2816 62.5870 174.9242 119 K 4.2778 7.9985 118.3123 57.2700 32.7397 176.9625 120 Y 3.2330 8.1589 116.2793 58.8715 36.0940 170.8146 121 G 4.0242 7.0759 106.0005 47.1044 0.0000 173.5569 122 T 4.6203 8.0318 118.3765 61.4424 71.2140 175.4856 123 K 4.0915 8.4177 124.9029 56.0827 32.7837 176.5310 124 K 4.1907 8.3045 122.0540 54.5050 31.7775 174.6411 125 P 4.3790 0.0000 0.0000 62.7501 31.9520 175.3206 126 K 4.3963 8.0993 119.4144 54.8954 33.4832 176.7457 127 E 3.9708 8.7218 116.9855 56.3645 29.3771 177.3885 128 A 3.5318 7.6599 120.7029 53.0479 16.4001 177.5233 *129 A 4.1172 7.6086 126.3084 51.9806 18.9464 177.0450 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 5 P 0.00 4.39 0.00 2.06 2.09 0.00 3.67 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 1.92 2.08 0.00 6 T 7.25 3.49 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 1.24 0.00 0.00 7 I 9.03 3.64 1.87 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 1.52 0.92 0.91 0.00 0.00 8 N 7.70 4.22 0.00 2.88 2.84 0.00 0.00 7.31 6.56 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 9 Q 8.14 3.99 0.00 2.35 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.56 0.00 0.00 0.00 0.00 0.00 2.38 2.41 0.00 10 L 7.92 4.14 0.00 1.80 1.72 0.98 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 11 V 7.63 3.72 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 0.83 0.00 0.00 1.00 0.00 0.00 12 R 7.50 4.20 0.00 2.01 1.92 0.00 3.21 0.00 0.00 3.22 7.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.89 0.00 13 K 8.70 4.20 0.00 1.65 1.79 0.00 1.57 0.00 0.00 1.71 0.00 0.00 3.15 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.46 1.49 7.81 14 G 7.68 3.98 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 0.00 0.00 0.00 0.00 0.00 0.00 15 R 7.98 4.19 0.00 1.81 1.87 0.00 3.34 0.00 0.00 3.15 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.55 0.00 16 E 8.29 4.47 0.00 1.90 1.83 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 2.20 2.26 0.00 17 K 8.83 3.98 0.00 1.75 1.72 0.00 1.88 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.42 1.41 7.81 18 V 7.48 2.80 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 0.72 0.00 0.00 0.93 0.00 0.00 19 R 8.14 4.01 0.00 1.94 2.06 0.00 3.21 0.00 0.00 3.28 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.59 0.00 20 K 8.30 4.59 0.00 1.88 1.76 0.00 1.61 0.00 0.00 1.69 0.00 0.00 2.79 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.31 1.42 7.81 21 K 8.35 4.15 0.00 1.75 1.79 0.00 1.64 0.00 0.00 1.63 0.00 0.00 3.07 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.43 1.49 7.81 22 S 8.57 4.13 0.00 3.85 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 23 K 8.55 3.76 0.00 1.71 1.78 0.00 1.82 0.00 0.00 1.57 0.00 0.00 2.87 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.36 1.41 7.81 24 V 7.56 4.01 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 0.83 0.00 0.00 0.47 0.00 0.00 25 P 0.00 4.55 0.00 2.32 2.27 0.00 3.89 0.00 0.00 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.12 0.00 26 A 7.98 4.08 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 27 L 7.16 3.43 0.00 1.64 1.57 0.64 0.23 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 28 K 9.51 4.08 0.00 1.79 1.96 0.00 1.89 0.00 0.00 1.71 0.00 0.00 2.99 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.37 1.40 7.81 29 G 8.17 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 30 A 8.42 4.25 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 31 P 0.00 4.07 0.00 2.05 1.88 0.00 3.69 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 2.06 2.06 0.00 32 F 7.58 5.12 0.00 2.89 3.05 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 33 R 8.63 4.66 0.00 1.85 1.67 0.00 3.28 0.00 0.00 3.01 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.60 0.00 34 R 8.83 4.92 0.00 2.07 1.75 0.00 2.77 0.00 0.00 2.63 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.46 0.00 35 G 8.98 4.51 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 0.00 0.00 0.00 36 V 8.79 4.96 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 0.96 0.00 0.00 0.88 0.00 0.00 37 C 8.78 4.87 0.00 3.00 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 38 T 9.11 4.51 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 1.24 0.00 0.00 39 V 7.56 4.33 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 0.91 0.00 0.00 0.93 0.00 0.00 40 V 8.57 4.56 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 0.95 0.00 0.00 1.00 0.00 0.00 41 R 8.27 4.67 0.00 1.89 1.81 0.00 3.12 0.00 0.00 3.10 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.56 0.00 42 T 8.27 4.53 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 43 V 8.35 4.44 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 0.96 0.00 0.00 0.98 0.00 0.00 44 T 8.16 5.10 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 1.23 0.00 0.00 45 P 0.00 5.38 0.00 2.10 2.12 0.00 3.45 0.00 0.00 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 1.85 0.00 46 K 8.82 4.84 0.00 1.74 1.05 0.00 1.80 0.00 0.00 1.62 0.00 0.00 2.92 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.41 1.42 7.81 47 K 7.77 4.98 0.00 1.84 1.07 0.00 1.76 0.00 0.00 1.86 0.00 0.00 2.92 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.50 1.49 7.81 48 P 0.00 4.48 0.00 2.22 2.12 0.00 3.77 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 1.98 1.98 0.00 49 N 7.75 4.97 0.00 2.73 2.75 0.00 0.00 6.53 7.59 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 50 S 8.29 4.35 0.00 3.77 3.72 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 51 A 8.03 4.56 1.25 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 52 L 7.97 5.33 0.00 1.51 1.62 0.93 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 53 R 8.07 3.99 0.00 1.92 2.18 0.00 3.25 0.00 0.00 3.40 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 2.06 0.00 54 K 8.57 4.49 0.00 1.45 1.46 0.00 1.69 0.00 0.00 1.71 0.00 0.00 2.93 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.39 1.43 7.81 55 V 8.11 4.87 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 1.08 0.00 0.00 1.00 0.00 0.00 56 A 8.60 5.01 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 57 K 9.47 4.57 0.00 1.69 1.76 0.00 1.61 0.00 0.00 1.58 0.00 0.00 2.79 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.47 1.40 7.81 58 V 9.22 4.77 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 1.05 0.00 0.00 0.97 0.00 0.00 59 R 9.28 4.57 0.00 1.88 1.78 0.00 3.13 0.00 0.00 3.16 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.94 0.00 60 L 7.89 4.66 0.00 1.68 1.51 0.85 0.83 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 61 T 7.72 4.35 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 1.24 0.00 0.00 62 S 7.87 4.46 0.00 3.90 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 63 G 8.64 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 64 Y 7.81 4.19 0.00 2.96 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 65 E 8.03 5.90 0.00 2.01 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 2.05 2.11 0.00 66 V 8.25 4.81 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 0.93 0.00 0.00 0.62 0.00 0.00 67 T 8.57 4.92 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 1.25 0.00 0.00 68 A 8.89 5.10 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 69 Y 9.39 4.22 0.00 2.94 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 0.00 0.00 0.00 0.00 70 I 7.05 4.41 1.54 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.51 0.65 0.00 0.00 71 P 0.00 4.56 0.00 1.91 2.24 0.00 3.67 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.91 0.00 72 G 8.79 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 73 E 8.57 4.27 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 2.23 2.37 0.00 74 G 9.57 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 75 H 8.00 4.72 0.00 3.24 3.25 0.00 5.47 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 76 N 8.31 4.54 0.00 2.77 2.89 0.00 0.00 5.97 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 77 L 6.43 3.45 0.00 1.84 1.79 0.93 0.87 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 78 Q 9.31 4.72 0.00 2.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.90 7.18 0.00 0.00 0.00 0.00 0.00 2.25 2.24 0.00 79 E 8.51 4.15 0.00 1.94 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 2.29 2.50 0.00 80 H 7.74 4.55 0.00 2.99 3.25 0.00 5.96 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 S 8.03 4.29 0.00 3.82 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 82 V 8.50 4.32 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 0.50 0.00 0.00 0.86 0.00 0.00 83 V 8.83 4.71 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 1.00 0.00 0.00 1.03 0.00 0.00 84 L 8.63 5.12 0.00 1.55 1.39 0.67 1.06 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 85 I 8.66 4.88 2.14 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.86 0.93 0.00 0.00 86 R 9.80 4.27 0.00 1.99 2.16 0.00 3.40 0.00 0.00 3.36 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.79 0.00 87 G 9.81 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 88 G 7.77 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 89 R 8.56 4.20 0.00 1.85 1.88 0.00 2.98 0.00 0.00 3.10 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.61 0.00 90 V 7.79 4.09 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 0.50 0.00 0.00 0.63 0.00 0.00 91 K 8.19 4.08 0.00 1.70 1.78 0.00 1.68 0.00 0.00 1.68 0.00 0.00 2.88 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.40 1.56 7.81 92 D 7.98 4.93 0.00 2.71 2.70 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 93 L 8.34 5.18 0.00 1.60 1.57 1.10 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 94 P 0.00 4.38 0.00 2.04 2.00 0.00 3.68 0.00 0.00 3.56 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 95 G 8.94 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 0.00 0.00 0.00 0.00 96 V 7.46 3.75 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 1.05 0.00 0.00 1.00 0.00 0.00 97 R 8.52 4.58 0.00 1.19 1.37 0.00 3.03 0.00 0.00 3.29 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.77 0.00 98 Y 7.91 5.17 0.00 2.97 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 99 H 9.06 5.42 0.00 3.16 3.24 0.00 5.81 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 I 9.13 4.48 2.00 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 1.15 0.50 0.92 0.00 0.00 101 V 8.62 3.88 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 0.59 0.00 0.00 0.99 0.00 0.00 102 R 8.57 4.00 0.00 1.75 2.00 0.00 3.50 0.00 0.00 3.44 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.53 0.00 103 G 8.41 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 0.00 104 V 6.82 4.09 1.73 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 -0.40 0.00 0.00 0.70 0.00 0.00 105 Y 8.19 3.63 0.00 3.34 2.78 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 0.00 106 D 8.32 4.44 0.00 2.92 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 0.00 107 A 8.09 4.57 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 0.00 108 A 9.09 4.42 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 0.00 109 G 8.26 4.39 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 0.00 110 V 7.98 3.82 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 0.78 0.00 0.00 1.19 0.00 0.00 111 K 8.69 4.06 0.00 1.84 1.66 0.00 1.86 0.00 0.00 1.82 0.00 0.00 2.90 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.51 1.46 7.81 112 D 8.82 4.64 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 0.00 113 R 7.51 4.00 0.00 1.80 1.88 0.00 3.14 0.00 0.00 3.06 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.50 0.00 114 K 8.45 4.59 0.00 1.72 1.78 0.00 1.79 0.00 0.00 1.69 0.00 0.00 2.95 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.32 1.67 7.81 115 K 7.59 4.54 0.00 1.67 0.84 0.00 1.72 0.00 0.00 1.67 0.00 0.00 2.97 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.41 1.42 7.81 116 S 9.01 4.15 0.00 3.72 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 0.00 117 R 8.45 4.53 0.00 1.84 2.09 0.00 3.23 0.00 0.00 3.27 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.89 0.00 118 S 8.49 4.09 0.00 3.85 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 0.00 119 K 8.00 4.28 0.00 2.32 1.89 0.00 1.97 0.00 0.00 1.99 0.00 0.00 2.98 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.61 1.56 7.81 120 Y 8.16 3.23 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 0.00 121 G 7.08 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 0.00 0.00 0.00 122 T 8.03 4.62 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 1.28 0.00 0.00 123 K 8.42 4.09 0.00 1.74 1.76 0.00 1.75 0.00 0.00 1.63 0.00 0.00 2.94 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.44 1.37 7.81 124 K 8.30 4.19 0.00 1.69 1.73 0.00 1.67 0.00 0.00 1.75 0.00 0.00 3.11 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.39 1.48 7.81 125 P 0.00 4.38 0.00 2.21 2.06 0.00 3.80 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.95 0.00 126 K 8.10 4.40 0.00 1.85 1.71 0.00 1.61 0.00 0.00 1.81 0.00 0.00 2.99 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.44 1.59 7.81 127 E 8.72 3.97 0.00 1.99 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 2.31 2.25 0.00 128 A 7.66 3.53 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 *129 A 7.61 4.12 1.24 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 * Residues marked with a * may have inaccurate shift predictions.