NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4204 8.3044 118.7897 54.1674 32.6374 177.0813 2 L 4.1535 8.9706 115.5748 53.0608 43.6945 174.1521 3 D 4.6890 8.5085 126.1540 52.5278 42.8996 176.8580 4 Q 3.8691 8.3672 119.8995 59.3813 29.1013 177.5721 5 Q 3.5359 8.1227 120.0640 59.4548 28.8103 178.6727 6 T 3.7631 7.7125 116.2396 66.7061 68.6308 176.8414 7 I 3.5694 7.7668 121.6825 64.3656 37.0822 178.2585 8 N 4.2644 8.9455 118.3415 56.5107 38.3900 177.4443 9 I 3.7203 7.9239 121.4447 64.3301 37.0906 178.5829 10 I 3.1200 7.7858 120.8215 64.1944 36.6993 178.4843 11 K 3.9005 8.1094 117.9649 59.5992 31.9755 178.9864 12 A 4.1769 7.9824 120.0246 55.0622 18.6254 179.1758 13 T 4.2964 8.3208 107.6863 63.5605 69.4068 177.1791 14 V 3.8365 8.2289 121.8700 65.9779 31.5662 176.1070 15 P 4.4123 0.0000 0.0000 65.4953 30.9062 178.8228 16 V 3.6206 7.6203 115.8921 65.9611 32.0334 177.5503 17 L 4.0524 8.0495 118.7856 57.8283 41.4232 179.6708 18 K 3.9890 8.6504 118.6562 59.5088 31.7167 179.1564 19 E 4.0088 7.9673 117.8856 59.3527 29.6283 178.0834 20 H 4.7477 8.0340 114.2582 55.7515 28.8189 177.4238 21 G 4.0218 7.9462 110.9953 48.1297 0.0000 176.6302 22 V 3.6808 7.8628 121.7933 64.6597 31.2486 178.4431 23 T 3.8963 8.0431 116.1947 66.3642 68.3527 176.9375 24 I 3.6766 7.6517 121.1684 64.6612 37.2036 178.2741 25 T 3.9791 8.2293 117.1479 67.1189 68.3475 176.7680 26 T 4.0745 8.0038 111.5129 65.0638 68.7766 176.9281 27 T 3.8518 8.1174 118.6394 66.1218 68.4022 176.3050 28 F 3.9474 8.5498 123.0288 61.7881 39.3473 176.9428 29 Y 3.0808 7.8848 116.0727 60.2666 37.6405 178.2427 30 K 3.9015 7.9547 120.6531 59.7472 32.2990 178.6828 31 N 4.2223 8.1688 116.9578 55.8848 38.3855 177.0732 32 L 3.5624 7.4109 122.0847 58.2814 41.8070 179.2794 33 F 4.5145 7.3097 115.7009 60.0560 38.8475 177.5698 34 A 4.1462 7.6797 119.9008 55.2118 18.4510 179.6735 35 K 4.0342 8.0116 115.5013 58.3548 33.6530 177.3843 36 H 5.2459 7.9818 114.7852 51.5369 29.2763 172.3828 37 P 4.3728 0.0000 0.0000 65.3516 31.5189 178.0406 38 E 4.1106 8.3782 115.9135 58.8773 29.3756 178.5665 39 V 4.1781 8.1089 112.2222 61.8260 32.0922 177.8918 40 R 3.8162 7.9516 119.1929 59.2440 29.7753 176.7663 41 P 4.3241 0.0000 0.0000 65.6563 31.3388 178.3627 42 L 4.1051 8.0786 116.9509 58.7536 41.9224 177.2241 43 F 4.5594 8.2074 118.5282 56.4859 41.1574 174.9826 *52 E 4.1300 8.3815 117.2243 57.5063 30.1201 176.1423 53 Q 4.6504 7.3948 117.6847 53.0789 32.6977 174.5364 54 P 4.5093 0.0000 0.0000 63.0045 32.0475 176.4746 55 K 4.5368 8.2275 114.7851 55.3096 35.5670 177.5579 56 A 4.4087 8.1511 119.9920 53.2596 18.9362 177.9871 57 L 3.7573 8.2874 118.4820 58.9256 41.9441 178.7856 58 A 3.6954 7.5143 119.2197 55.4555 18.6145 179.4702 59 M 4.0652 7.9504 116.6382 58.6656 32.0928 179.0003 60 T 3.9628 8.2047 116.3260 66.5073 68.5145 176.9438 61 V 3.7176 7.9197 120.2650 66.0354 31.5477 178.1137 62 L 4.1536 8.1906 118.5860 57.7166 41.1894 179.3963 63 A 4.0446 7.8297 119.8414 55.0462 18.5882 179.2471 64 A 4.1269 8.3418 119.1746 55.3023 18.5650 179.7332 65 A 3.9625 8.4457 119.6895 55.3436 18.2330 179.6394 66 Q 4.0729 8.2108 117.3456 58.5676 29.2203 176.9971 67 N 4.9119 8.0518 116.8703 53.0152 39.4225 176.9099 68 I 3.6026 7.4461 123.3320 63.7620 38.1124 176.4751 69 E 4.3500 7.9888 116.9622 56.8740 30.6057 176.0139 70 N 5.0161 8.2172 117.9271 51.9620 39.6423 174.6178 71 L 4.0178 7.8705 121.8741 57.2239 42.7750 178.3625 72 P 4.1497 0.0000 0.0000 65.1685 31.4600 178.2131 73 A 3.9898 8.0239 120.9002 54.5385 18.4795 178.0522 74 I 4.3195 7.9085 108.0198 60.8401 38.1884 177.4971 75 L 3.8551 7.8734 123.9043 57.9108 41.4151 177.6373 76 P 4.3529 0.0000 0.0000 65.1677 31.2615 178.5628 77 A 4.0676 7.8292 119.2856 55.0822 18.5086 179.3959 78 V 3.3732 7.7763 116.9222 66.1271 31.0427 177.9830 79 K 3.7934 8.3857 119.4975 59.5424 31.8558 178.6303 80 K 4.0065 7.7241 118.6429 59.3415 32.0248 178.9834 81 I 3.7379 8.0517 120.1371 64.0593 37.0263 177.9519 82 A 4.4437 8.3517 123.4711 54.6120 18.1826 179.7865 83 V 3.4705 7.4558 115.9939 66.2863 31.6243 178.5117 84 K 4.0593 7.8502 118.2125 59.5339 31.8346 179.2692 85 H 4.3070 8.4812 117.0773 59.1834 28.6643 177.6820 86 C 4.2800 8.5991 120.1956 62.1296 27.5877 175.9030 87 Q 4.0859 8.0582 120.4008 59.0540 28.7196 177.8025 88 A 4.2487 7.8757 120.5694 52.9815 18.5863 178.1331 89 G 3.9837 7.6508 103.9490 45.5694 0.0000 173.7851 90 V 3.7220 7.8077 119.3184 62.3325 32.2026 175.2425 91 A 4.9681 8.7934 128.5804 49.8025 22.0594 176.5757 92 A 4.3151 8.9316 121.5778 55.6829 18.1053 180.1503 93 A 4.1918 7.9519 116.7607 54.8164 18.8871 178.9680 94 H 4.3598 8.6555 115.6659 58.7748 28.5931 177.1648 95 Y 4.1833 8.2323 118.9409 60.9612 37.7831 177.1950 96 P 4.4943 0.0000 0.0000 65.2934 31.5634 178.7666 97 I 3.7083 7.7317 111.8911 63.9129 37.5957 178.2877 98 V 3.7481 7.8645 120.2187 65.6114 31.3397 178.1351 99 G 2.6189 8.3215 105.8318 47.4204 0.0000 175.4332 100 Q 3.9206 7.9384 121.8199 59.0967 29.2528 178.2457 101 E 3.9875 8.0884 119.4098 58.9066 29.3660 179.0145 102 L 3.8851 8.2330 120.8588 58.1387 42.0781 178.8489 103 L 3.9915 7.8585 118.9903 57.9889 41.5705 179.9138 104 G 3.5481 8.2009 105.1618 47.5005 0.0000 175.6296 105 A 3.9430 7.8836 122.6571 55.1329 18.4356 179.5485 106 I 3.4400 7.7292 118.4819 64.4081 36.9044 178.4932 107 K 3.8551 7.8875 119.1028 59.4853 32.4619 178.2424 108 E 4.0813 8.1083 118.7410 59.7913 29.2434 179.9772 109 V 3.5921 7.5331 110.6640 64.2922 31.7909 178.4221 110 L 4.0619 8.5192 118.8121 54.8084 41.7306 178.7224 111 G 3.9021 8.3937 107.7437 46.4167 0.0000 176.8402 112 D 4.3493 8.9242 124.0939 56.0187 40.5694 176.5141 113 A 4.3012 8.0181 120.8906 52.7072 19.8227 178.0776 114 A 4.3811 7.6793 120.4989 52.2896 16.0823 177.6574 115 T 4.2288 7.4153 114.6873 60.7086 71.6686 175.4815 116 D 4.3667 8.5186 121.3482 57.6942 40.9070 178.8146 117 D 4.3945 8.0748 118.9475 57.1244 40.8610 178.8120 118 I 3.8362 7.7951 120.5909 64.4539 37.1155 178.3951 119 L 4.1798 8.3390 120.1875 57.9891 41.4199 179.4102 120 D 4.3759 8.4821 118.8092 57.2571 40.6657 178.6767 121 A 3.9665 8.2140 121.3915 54.8909 18.2688 179.7696 122 W 4.0060 8.4877 117.7323 59.5663 29.0770 178.9327 123 G 3.7865 8.5900 106.1076 47.9883 0.0000 175.9270 124 K 4.0527 8.2115 121.0863 58.9160 31.9376 179.4212 125 A 3.9142 8.3426 121.5453 55.1873 18.1979 178.9353 126 Y 4.1509 8.6198 118.6453 60.7374 38.7694 178.3339 127 G 3.9088 8.2772 106.6242 48.1298 0.0000 175.6154 128 V 3.5509 7.4848 119.7123 65.4329 31.9018 177.9214 129 I 3.8441 7.9400 119.4001 64.4355 37.0441 178.2221 130 A 3.9113 8.4157 122.5338 55.3006 18.1137 179.3237 131 D 4.3369 8.2854 117.6276 57.2752 40.7610 179.3731 132 V 3.4621 7.6208 118.5279 65.9925 31.5445 178.1297 133 F 3.9226 8.0891 116.9637 60.4763 38.7423 177.3287 134 I 3.5454 7.8353 119.8081 64.5294 36.9139 178.2763 135 Q 3.8941 8.0120 120.0369 59.1286 28.8866 178.3065 136 V 3.5406 7.8247 119.3021 66.1117 31.4360 177.8689 137 E 3.8243 8.6745 118.5450 59.1976 29.2556 179.1909 138 A 4.2611 8.3567 121.1267 55.4288 18.4858 179.4679 139 D 4.3708 8.2086 117.3992 57.4512 40.6204 179.0458 140 L 4.0225 7.8027 118.9202 57.7666 41.7515 178.6319 141 Y 4.4530 8.4900 116.9472 61.1861 37.8206 178.6634 142 A 4.0676 8.2687 121.6864 55.1842 18.1022 179.4776 143 Q 3.9804 8.2836 117.7655 59.0590 28.8284 178.2875 144 A 4.1187 7.7552 120.6966 54.1830 18.4713 178.8793 145 V 4.1790 7.8931 108.6251 60.2625 32.0556 175.7490 146 E 4.7626 7.4204 125.2560 56.9300 31.5598 176.4103 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 4.42 0.00 2.05 1.61 0.00 0.00 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.11 0.00 2 L 8.97 4.15 0.00 1.61 1.54 0.87 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 3 D 8.51 4.69 0.00 2.89 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 4 Q 8.37 3.87 0.00 2.12 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.89 0.00 0.00 0.00 0.00 0.00 2.40 2.39 0.00 5 Q 8.12 3.54 0.00 2.18 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.71 0.00 0.00 0.00 0.00 0.00 2.42 2.51 0.00 6 T 7.71 3.76 4.43 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 1.08 0.00 0.00 7 I 7.77 3.57 1.82 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 1.44 0.73 0.85 0.00 0.00 8 N 8.95 4.26 0.00 2.89 2.84 0.00 0.00 7.01 7.36 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 9 I 7.92 3.72 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 1.53 0.60 0.92 0.00 0.00 10 I 7.79 3.12 1.70 0.00 0.00 -0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.33 0.52 0.00 0.00 11 K 8.11 3.90 0.00 1.66 1.88 0.00 1.72 0.00 0.00 1.70 0.00 0.00 3.09 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.44 1.58 7.81 12 A 7.98 4.18 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 13 T 8.32 4.30 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 1.38 0.00 0.00 14 V 8.23 3.84 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 1.12 0.00 0.00 1.19 0.00 0.00 15 P 0.00 4.41 0.00 2.24 2.12 0.00 3.76 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.20 0.00 16 V 7.62 3.62 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 0.90 0.00 0.00 0.98 0.00 0.00 17 L 8.05 4.05 0.00 1.71 1.44 -0.23 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 18 K 8.65 3.99 0.00 1.76 1.87 0.00 1.72 0.00 0.00 1.68 0.00 0.00 2.98 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.47 1.50 7.81 19 E 7.97 4.01 0.00 2.12 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 2.34 2.36 0.00 20 H 8.03 4.75 0.00 3.27 3.28 0.00 5.66 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 G 7.95 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 22 V 7.86 3.68 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 0.82 0.00 0.00 0.95 0.00 0.00 23 T 8.04 3.90 4.40 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 1.22 0.00 0.00 24 I 7.65 3.68 1.93 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 1.54 0.70 0.77 0.00 0.00 25 T 8.23 3.98 4.53 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 1.50 0.00 0.00 26 T 8.00 4.07 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 1.29 0.00 0.00 27 T 8.12 3.85 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 1.23 0.00 0.00 28 F 8.55 3.95 0.00 2.95 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 29 Y 7.88 3.08 0.00 3.02 2.86 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 30 K 7.95 3.90 0.00 1.92 1.97 0.00 1.63 0.00 0.00 1.63 0.00 0.00 2.92 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.40 1.47 7.81 31 N 8.17 4.22 0.00 2.61 2.87 0.00 0.00 6.73 7.42 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 32 L 7.41 3.56 0.00 0.53 0.63 0.65 0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 33 F 7.31 4.51 0.00 2.96 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 34 A 7.68 4.15 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 35 K 8.01 4.03 0.00 1.62 1.56 0.00 1.87 0.00 0.00 1.63 0.00 0.00 2.97 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.38 1.38 7.81 36 H 7.98 5.25 0.00 3.27 3.42 0.00 5.64 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 P 0.00 4.37 0.00 2.18 2.13 0.00 3.61 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.16 0.00 38 E 8.38 4.11 0.00 2.21 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 2.45 2.42 0.00 39 V 8.11 4.18 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 0.98 0.00 0.00 1.23 0.00 0.00 40 R 7.95 3.82 0.00 1.97 1.87 0.00 3.10 0.00 0.00 3.02 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.90 0.00 41 P 0.00 4.32 0.00 2.05 2.15 0.00 3.88 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 2.07 2.20 0.00 42 L 8.08 4.11 0.00 1.67 1.48 0.80 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 43 F 8.21 4.56 0.00 3.02 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 *52 E 8.38 4.13 0.00 1.94 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 2.18 2.33 0.00 53 Q 7.39 4.65 0.00 1.93 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.80 0.00 0.00 0.00 0.00 0.00 2.18 2.18 0.00 54 P 0.00 4.51 0.00 2.22 2.27 0.00 3.52 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 1.82 0.00 55 K 8.23 4.54 0.00 1.72 1.85 0.00 1.74 0.00 0.00 1.57 0.00 0.00 3.00 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.43 1.35 7.81 56 A 8.15 4.41 1.38 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 0.00 0.00 0.00 0.00 0.00 0.00 57 L 8.29 3.76 0.00 1.87 1.45 -0.11 0.65 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 58 A 7.51 3.70 1.04 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 59 M 7.95 4.07 0.00 2.06 2.15 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.71 2.58 0.00 60 T 8.20 3.96 4.42 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 1.33 0.00 0.00 61 V 7.92 3.72 2.23 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 1.37 0.00 0.00 1.05 0.00 0.00 62 L 8.19 4.15 0.00 1.93 1.76 0.85 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 63 A 7.83 4.04 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 64 A 8.34 4.13 1.51 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 65 A 8.45 3.96 1.61 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 0.00 0.00 66 Q 8.21 4.07 0.00 2.20 2.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 7.37 0.00 0.00 0.00 0.00 0.00 2.41 2.43 0.00 67 N 8.05 4.91 0.00 3.02 2.79 0.00 0.00 6.52 6.76 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 68 I 7.45 3.60 1.96 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 1.18 0.55 0.87 0.00 0.00 69 E 7.99 4.35 0.00 1.97 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 2.23 2.25 0.00 70 N 8.22 5.02 0.00 2.66 2.62 0.00 0.00 7.09 6.86 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 71 L 7.87 4.02 0.00 1.70 1.66 0.89 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 72 P 0.00 4.15 0.00 2.14 2.07 0.00 3.49 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 2.08 2.05 0.00 73 A 8.02 3.99 1.37 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 74 I 7.91 4.32 1.88 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 1.47 0.62 0.92 0.00 0.00 75 L 7.87 3.86 0.00 1.67 1.70 0.86 0.73 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 76 P 0.00 4.35 0.00 2.14 2.08 0.00 3.58 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 2.10 2.13 0.00 77 A 7.83 4.07 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 78 V 7.78 3.37 1.81 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 0.33 0.00 0.00 0.59 0.00 0.00 79 K 8.39 3.79 0.00 1.86 1.76 0.00 1.64 0.00 0.00 1.54 0.00 0.00 2.89 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.41 1.41 7.81 80 K 7.72 4.01 0.00 2.00 1.91 0.00 1.57 0.00 0.00 1.65 0.00 0.00 3.05 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.44 1.53 7.81 81 I 8.05 3.74 2.30 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.78 0.88 0.00 0.00 82 A 8.35 4.44 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 83 V 7.46 3.47 2.25 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 1.01 0.00 0.00 0.96 0.00 0.00 84 K 7.85 4.06 0.00 1.83 1.84 0.00 1.74 0.00 0.00 1.65 0.00 0.00 2.96 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.68 1.63 7.81 85 H 8.48 4.31 0.00 3.45 3.36 0.00 5.64 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 86 C 8.60 4.28 0.00 2.70 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 87 Q 8.06 4.09 0.00 2.16 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 7.02 0.00 0.00 0.00 0.00 0.00 2.39 2.40 0.00 88 A 7.88 4.25 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 89 G 7.65 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 90 V 7.81 3.72 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 0.66 0.00 0.00 0.78 0.00 0.00 91 A 8.79 4.97 1.19 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 92 A 8.93 4.32 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 93 A 7.95 4.19 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 94 H 8.66 4.36 0.00 3.22 3.23 0.00 5.66 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 Y 8.23 4.18 0.00 3.32 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 96 P 0.00 4.49 0.00 2.23 2.19 0.00 3.85 0.00 0.00 4.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.27 0.00 97 I 7.73 3.71 1.60 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.47 0.89 0.00 0.00 98 V 7.86 3.75 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 1.10 0.00 0.00 0.95 0.00 0.00 99 G 8.32 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 0.00 0.00 0.00 100 Q 7.94 3.92 0.00 2.13 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.76 0.00 0.00 0.00 0.00 0.00 2.34 2.40 0.00 101 E 8.09 3.99 0.00 1.99 1.76 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 2.37 2.23 0.00 102 L 8.23 3.89 0.00 1.23 1.40 0.51 0.62 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 0.00 103 L 7.86 3.99 0.00 1.81 1.70 0.99 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 104 G 8.20 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 0.00 0.00 0.00 105 A 7.88 3.94 1.38 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 0.00 0.00 0.00 0.00 0.00 0.00 106 I 7.73 3.44 1.83 0.00 0.00 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.52 0.56 0.00 0.00 107 K 7.89 3.86 0.00 1.72 2.08 0.00 1.81 0.00 0.00 1.69 0.00 0.00 3.03 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.43 1.46 7.81 108 E 8.11 4.08 0.00 2.13 1.96 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 2.30 2.55 0.00 109 V 7.53 3.59 1.88 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 0.68 0.00 0.00 0.84 0.00 0.00 110 L 8.52 4.06 0.00 1.69 1.75 0.88 0.70 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 0.00 111 G 8.39 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 0.00 112 D 8.92 4.35 0.00 2.68 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 0.00 113 A 8.02 4.30 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 0.00 114 A 7.68 4.38 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 0.00 115 T 7.42 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 1.25 0.00 0.00 116 D 8.52 4.37 0.00 2.80 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 0.00 117 D 8.07 4.39 0.00 2.70 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 0.00 118 I 7.80 3.84 2.09 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.93 1.13 0.00 0.00 119 L 8.34 4.18 0.00 1.92 1.77 0.94 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 120 D 8.48 4.38 0.00 2.96 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 0.00 121 A 8.21 3.97 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 0.00 122 W 8.49 4.01 0.00 3.59 3.32 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 0.00 123 G 8.59 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 0.00 124 K 8.21 4.05 0.00 1.90 1.85 0.00 1.65 0.00 0.00 1.63 0.00 0.00 2.96 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.47 1.59 7.81 125 A 8.34 3.91 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 0.00 126 Y 8.62 4.15 0.00 3.25 3.28 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 0.00 127 G 8.28 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 0.00 0.00 0.00 128 V 7.48 3.55 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 0.83 0.00 0.00 0.92 0.00 0.00 129 I 7.94 3.84 1.96 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.03 1.09 0.00 0.00 130 A 8.42 3.91 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 131 D 8.29 4.34 0.00 2.74 2.67 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 0.00 132 V 7.62 3.46 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 0.77 0.00 0.00 0.89 0.00 0.00 133 F 8.09 3.92 0.00 3.10 3.15 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 0.00 134 I 7.84 3.55 1.84 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 -0.36 0.86 0.00 0.00 135 Q 8.01 3.89 0.00 2.13 2.10 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 2.32 2.48 0.00 136 V 7.82 3.54 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 0.90 0.00 0.00 0.83 0.00 0.00 137 E 8.67 3.82 0.00 2.19 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 2.32 2.43 0.00 138 A 8.36 4.26 1.44 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 0.00 0.00 0.00 0.00 0.00 0.00 139 D 8.21 4.37 0.00 2.84 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 0.00 140 L 7.80 4.02 0.00 1.60 1.57 0.83 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 141 Y 8.49 4.45 0.00 3.22 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 0.00 142 A 8.27 4.07 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 0.00 143 Q 8.28 3.98 0.00 2.25 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.75 0.00 0.00 0.00 0.00 0.00 2.36 2.38 0.00 144 A 7.76 4.12 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 0.00 145 V 7.89 4.18 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 0.79 0.00 0.00 0.98 0.00 0.00 146 E 7.42 4.76 0.00 2.04 1.89 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 2.09 2.03 0.00 * Residues marked with a * may have inaccurate shift predictions.