NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3635 8.3044 120.3410 55.5094 33.5902 175.6880 2 D 4.5577 7.7485 120.2992 52.9927 39.5698 174.1487 3 F 5.0280 9.0640 121.3333 56.9905 41.0604 174.6744 4 R 4.9349 9.3285 120.1451 54.5768 34.4053 174.1259 5 I 4.9621 8.4969 115.3490 59.2363 40.8180 174.5014 6 G 4.3653 9.0180 110.5397 44.5794 0.0000 171.3054 7 Q 5.2685 8.6687 117.8410 54.3330 32.1099 174.5446 8 G 4.4100 9.0745 106.6871 45.0820 0.0000 170.8250 9 Y 5.4462 8.4861 121.8337 56.0094 42.3479 173.6751 10 D 4.6525 7.9659 123.5349 53.0862 45.2264 174.2609 11 V 4.9431 7.9621 122.9227 60.5263 34.9061 174.1545 12 H 4.9344 8.8242 118.0087 53.9589 33.6495 172.7117 13 Q 4.5401 8.7958 122.7743 56.1977 30.4604 174.4878 14 L 5.1375 9.1553 128.8909 53.4249 43.6627 175.8006 15 V 4.6412 8.8965 126.0194 59.0458 35.0864 173.3398 16 P 5.0375 0.0000 0.0000 63.6250 31.6809 176.6738 17 G 4.0934 9.4898 109.8256 45.1463 0.0000 173.5493 18 R 4.8820 7.6253 117.8179 53.3838 34.2827 173.1149 19 P 4.6860 0.0000 0.0000 62.7855 33.5331 174.9012 20 L 4.6410 8.4643 122.8075 53.7718 43.2734 175.3427 21 I 4.9002 8.2791 128.2234 59.6188 38.8183 174.8703 22 I 4.7352 8.2992 126.9092 60.3028 39.2021 176.4330 23 G 3.6542 9.8432 114.3758 46.7487 0.0000 174.5720 24 G 3.8738 9.3423 104.5899 45.3689 0.0000 173.9043 25 V 4.2578 7.3875 120.0754 60.7431 33.0671 174.7346 26 T 4.6992 8.4662 124.5220 63.4970 69.1030 173.9706 27 I 4.5133 8.6581 127.8746 58.2677 39.7797 173.6387 28 P 4.3606 0.0000 0.0000 63.7070 31.2148 175.0661 29 Y 4.8443 8.2357 123.1102 56.5771 41.6617 174.6529 30 E 3.9010 7.3896 123.3144 58.0654 29.9039 176.6361 31 R 5.1082 6.7892 117.0085 54.4680 34.1870 174.5152 32 G 4.7939 8.9285 107.1009 44.9011 0.0000 170.9365 33 L 5.6696 8.0133 121.2606 53.2206 42.8460 179.1322 34 L 4.4089 8.4560 127.4230 53.7532 38.8384 173.2745 *38 D 4.3917 8.2940 121.7682 51.2662 41.5229 176.2595 39 A 3.4311 7.9545 121.1282 53.4814 16.0432 178.5085 40 D 4.7137 8.0289 122.1898 54.3057 40.6690 175.4397 41 V 4.4731 8.1487 121.8118 63.5232 31.7647 177.8003 42 L 3.9011 7.8769 119.1779 58.3203 42.0716 178.9689 43 L 4.0054 7.8650 118.7527 57.8702 41.5122 179.2067 44 H 4.2740 8.0719 115.8226 58.8484 28.6116 177.5811 45 A 4.0420 7.9233 122.2690 55.3373 18.2314 179.7776 46 I 3.6307 7.7098 118.1123 64.7079 37.1618 178.6787 47 T 3.7063 8.3371 116.9457 66.8626 68.3276 176.3205 48 D 4.5118 8.7442 120.7051 57.3625 40.7624 178.6703 49 A 4.0900 8.2888 121.4685 55.1435 18.3778 179.7772 50 L 3.8220 7.8949 117.3690 58.0117 41.6388 179.7086 51 F 4.5459 7.9607 117.8788 60.3828 38.7741 177.9854 52 G 3.5854 8.3870 105.1874 47.9029 0.0000 175.4737 53 A 4.1145 8.1899 123.8693 53.9503 18.4510 179.0752 54 A 2.9624 7.7018 116.6598 51.7092 19.0476 177.0069 55 A 3.6471 7.6405 119.0561 53.7249 16.4569 177.8660 56 L 4.6580 8.5666 117.3209 55.6356 43.3234 177.1909 57 G 3.9832 9.2392 107.4050 44.2081 0.0000 175.7694 58 D 4.8405 8.1248 126.4572 50.7941 43.2575 174.9350 59 I 3.9582 8.7380 118.7476 64.3764 37.5078 177.8822 60 G 3.5950 8.0523 105.1044 47.8988 0.0000 175.3670 61 R 3.9512 8.2207 119.8025 59.1030 30.1065 178.4249 62 H 4.0310 7.4097 114.1092 58.0141 29.2352 174.6656 63 F 5.1117 7.8789 117.1333 55.5206 42.3301 173.3670 *73 A 3.9914 8.3672 122.9032 52.5429 19.2402 177.3259 74 D 4.6958 8.2280 122.9520 52.5811 42.2761 177.6479 75 S 4.1009 9.2478 115.5432 61.5124 62.4595 177.3239 76 R 3.8678 8.0019 120.5339 58.9393 29.7838 178.6008 77 A 3.9201 8.0071 120.2197 55.1388 18.2977 179.7129 78 L 3.2425 7.4862 117.6364 57.4480 41.5995 179.4890 79 L 3.8989 8.0142 120.4009 58.1948 42.0221 179.1872 80 R 3.9039 8.1981 118.3277 59.3154 30.0297 178.7208 81 E 4.0092 8.4109 119.2483 59.2070 29.5709 178.0296 82 C 4.0640 8.6462 119.0958 62.8411 31.4460 175.6635 83 A 3.9369 8.0010 121.9605 55.1125 17.9214 179.5624 84 S 4.0645 8.0221 111.3395 61.6548 62.4847 176.6512 85 R 4.6576 8.2346 122.1705 58.7716 29.8371 179.2313 86 V 3.7040 8.2367 118.1194 65.8686 31.5677 177.8686 87 A 4.6212 8.5492 122.2672 54.8689 18.4275 179.7034 88 Q 4.0358 8.3310 115.7135 59.0399 28.5456 177.9913 89 A 4.3251 7.9552 121.5226 53.1341 18.4554 178.0007 90 G 3.8545 8.1687 106.7826 44.8252 0.0000 172.6893 91 F 5.1985 8.3419 117.5386 55.2264 42.2160 174.2222 92 A 5.0593 9.1213 124.4204 50.1067 21.7104 175.6783 93 I 4.1349 8.4039 122.9930 61.5691 37.4282 175.9296 94 R 4.5353 9.2575 126.9353 58.0577 31.2373 176.3608 95 N 4.9952 7.6451 113.2160 52.0762 40.6671 173.4462 96 V 4.8623 8.7801 119.6738 61.2796 35.0909 173.7830 97 D 5.4866 9.3937 126.3675 51.7388 45.1836 174.1098 98 S 5.1117 8.2169 115.7370 57.8802 66.8014 172.9182 99 T 5.0686 8.9538 116.6979 62.0484 72.8457 172.9614 100 I 4.7884 8.9541 127.0142 59.7616 39.7623 174.5661 101 I 4.9104 8.7392 128.3584 59.7228 38.7535 174.8694 102 A 4.7055 8.9488 129.3974 50.6608 22.1030 176.8797 103 Q 3.8490 8.9778 124.2328 58.8394 29.5731 175.9333 104 A 4.4409 7.2633 117.2721 50.1904 21.8789 173.8976 105 P 4.4297 0.0000 0.0000 61.0516 33.2031 175.8424 106 K 4.0088 8.3875 117.7649 57.0265 32.2851 177.0629 107 L 4.4929 8.4123 122.0814 55.5625 43.4419 178.3117 108 A 3.9702 8.1967 120.5632 55.0735 17.8395 177.7034 109 P 4.1649 0.0000 0.0000 65.0699 31.7908 177.3882 110 H 4.7975 8.1155 113.5977 55.6264 29.0466 176.7217 111 I 3.7291 7.4285 123.8716 64.6087 36.9183 177.9604 112 D 4.3264 8.0960 118.9816 57.0879 40.5726 178.5946 113 A 3.9658 7.9173 120.9049 55.3616 18.4490 179.2862 114 M 4.2347 7.7640 118.1008 58.1075 31.9856 179.1646 115 R 3.8915 8.2859 118.1035 59.2604 30.2422 178.9794 116 A 3.9749 8.1732 120.4956 55.2400 18.4781 179.4358 117 N 4.2693 8.4846 115.3295 56.5590 38.6374 177.8277 118 I 3.7158 8.1639 121.3520 64.2479 37.1677 178.3709 119 A 3.9852 8.3335 121.7538 54.8946 18.3080 179.4613 120 A 3.9157 7.9814 119.2832 55.6594 18.3106 179.7051 121 D 4.3446 7.8239 115.5435 56.8497 40.9644 178.0845 122 L 4.3231 7.8396 116.6520 53.3662 43.0269 175.6135 123 D 4.3485 7.6107 117.5279 55.5939 39.9984 172.8608 124 L 4.8449 7.9787 117.4343 51.9005 45.1017 175.6217 125 P 4.3284 0.0000 0.0000 62.5946 32.1604 177.2579 126 L 3.9305 8.7262 123.8433 58.3773 42.0223 178.1319 127 D 4.7338 8.0676 114.3467 54.1297 39.4308 176.2961 128 R 4.6251 8.2499 117.9658 56.0647 31.7242 175.1736 129 V 4.7966 7.7403 118.9739 61.0664 33.9694 174.3730 130 N 5.1063 9.0889 125.5747 51.8041 42.6604 172.9778 131 V 4.7757 8.2861 123.8828 60.0210 34.4193 174.5248 132 K 4.8271 9.0133 126.4445 54.5561 35.5691 174.8940 133 A 5.2137 8.4193 122.8127 50.2881 21.7857 175.6216 134 K 4.7659 9.2489 120.7234 54.8606 37.0105 176.1585 135 T 4.7541 8.3356 112.5978 59.6927 71.3053 173.6932 136 N 4.7788 8.5920 116.4393 52.9548 39.1078 174.0117 137 E 3.8225 8.5971 113.0603 56.9704 27.6693 175.5501 138 K 4.2624 8.2613 112.3263 56.8378 30.5689 175.7282 139 L 4.4635 7.9013 119.8383 53.9159 43.4865 178.4634 140 G 4.2820 8.5279 112.4767 44.9651 0.0000 173.1992 141 Y 4.4652 8.1900 117.0984 59.5730 37.6120 178.4037 142 L 4.0521 7.0687 120.3622 57.6424 41.7617 179.4800 143 G 3.7183 8.2462 104.9860 46.7260 0.0000 174.7852 144 R 4.5860 7.6745 118.3856 55.0736 30.5537 176.2839 145 G 3.9713 7.8447 106.7905 46.9344 0.0000 174.6512 146 E 4.4856 8.6477 120.2930 56.9057 31.0135 176.1768 147 G 4.2919 7.8605 104.6409 45.3788 0.0000 172.3645 148 I 4.9546 8.7567 119.9570 59.3404 41.1899 174.5168 149 E 5.0705 8.9301 126.7159 54.3586 32.6445 174.3589 150 A 5.2915 8.8250 126.1823 50.2589 22.8101 175.0198 151 Q 5.1790 9.2856 118.7271 54.2277 33.0240 174.5523 152 A 5.2248 9.0118 122.3890 50.4467 23.3790 174.8852 153 A 5.1901 9.4044 121.0830 50.1185 22.7675 175.1679 154 A 5.0603 9.0047 122.9204 50.0091 22.9317 174.4983 155 L 5.0902 8.8515 124.1214 53.3755 44.5456 175.4690 156 V 5.1656 8.9275 125.0231 61.2420 35.8922 174.2809 157 V 4.8059 8.9518 123.2242 59.9388 34.9592 175.2623 158 R 4.4957 8.6813 123.1022 55.5659 29.6097 175.2100 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 4.36 0.00 1.64 1.79 0.00 0.00 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.45 0.00 2 D 7.75 4.56 0.00 2.76 2.37 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 3 F 9.06 5.03 0.00 3.02 2.98 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 4 R 9.33 4.93 0.00 1.62 1.76 0.00 3.31 0.00 0.00 3.32 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.74 0.00 5 I 8.50 4.96 1.88 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.95 0.93 0.00 0.00 6 G 9.02 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 7 Q 8.67 5.27 0.00 2.01 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.70 0.00 0.00 0.00 0.00 0.00 2.22 2.41 0.00 8 G 9.07 4.41 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 0.00 9 Y 8.49 5.45 0.00 2.94 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 10 D 7.97 4.65 0.00 2.80 2.49 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.96 4.94 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 0.84 0.00 0.00 1.07 0.00 0.00 12 H 8.82 4.93 0.00 3.09 3.17 0.00 5.62 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 Q 8.80 4.54 0.00 2.13 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.85 0.00 0.00 0.00 0.00 0.00 2.44 2.60 0.00 14 L 9.16 5.14 0.00 1.67 1.78 1.02 1.13 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 15 V 8.90 4.64 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 0.88 0.00 0.00 0.94 0.00 0.00 16 P 0.00 5.04 0.00 1.93 1.98 0.00 3.69 0.00 0.00 5.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.89 0.00 17 G 9.49 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 0.00 0.00 0.00 18 R 7.63 4.88 0.00 1.70 1.77 0.00 3.29 0.00 0.00 3.39 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.54 0.00 19 P 0.00 4.69 0.00 2.11 2.17 0.00 3.66 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 2.06 1.96 0.00 20 L 8.46 4.64 0.00 2.04 1.82 0.93 0.96 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 21 I 8.28 4.90 1.84 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 1.39 0.97 0.92 0.00 0.00 22 I 8.30 4.74 1.83 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 1.00 0.88 0.00 0.00 23 G 9.84 3.65 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 0.00 0.00 0.00 24 G 9.34 3.87 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 0.00 0.00 0.00 25 V 7.39 4.26 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 0.96 0.00 0.00 0.99 0.00 0.00 26 T 8.47 4.70 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 27 I 8.66 4.51 1.80 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 0.85 0.61 0.81 0.00 0.00 28 P 0.00 4.36 0.00 2.12 2.12 0.00 3.78 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.01 0.00 29 Y 8.24 4.84 0.00 2.94 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 30 E 7.39 3.90 0.00 1.53 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 0.00 2.21 2.23 0.00 31 R 6.79 5.11 0.00 1.99 1.87 0.00 3.28 0.00 0.00 3.43 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.30 0.00 32 G 8.93 4.79 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 33 L 8.01 5.67 0.00 1.55 1.61 0.95 1.01 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 34 L 8.46 4.41 0.00 1.43 1.48 0.92 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 *38 D 8.29 4.39 0.00 2.75 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 39 A 7.95 3.43 1.17 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 0.00 0.00 40 D 8.03 4.71 0.00 2.79 2.43 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 41 V 8.15 4.47 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 0.90 0.00 0.00 0.91 0.00 0.00 42 L 7.88 3.90 0.00 1.67 1.62 0.90 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 43 L 7.86 4.01 0.00 1.57 1.64 0.89 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 44 H 8.07 4.27 0.00 3.39 3.38 0.00 5.64 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 45 A 7.92 4.04 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 46 I 7.71 3.63 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 1.51 0.91 0.87 0.00 0.00 47 T 8.34 3.71 4.49 0.00 0.00 0.00 0.00 0.00 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 48 D 8.74 4.51 0.00 2.93 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 49 A 8.29 4.09 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 50 L 7.89 3.82 0.00 1.59 1.50 0.81 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 51 F 7.96 4.55 0.00 3.06 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 52 G 8.39 3.59 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 0.00 0.00 0.00 53 A 8.19 4.11 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 54 A 7.70 2.96 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 55 A 7.64 3.65 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 56 L 8.57 4.66 0.00 1.72 1.68 1.11 1.09 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 57 G 9.24 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 58 D 8.12 4.84 0.00 3.09 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 59 I 8.74 3.96 2.11 0.00 0.00 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 1.60 1.67 1.05 0.00 0.00 60 G 8.05 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.22 3.95 0.00 1.84 1.71 0.00 3.14 0.00 0.00 3.25 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.59 0.00 62 H 7.41 4.03 0.00 1.97 1.93 0.00 5.59 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 F 7.88 5.11 0.00 3.09 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 *73 A 8.37 3.99 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 74 D 8.23 4.70 0.00 3.19 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 75 S 9.25 4.10 0.00 3.75 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 76 R 8.00 3.87 0.00 1.94 2.04 0.00 3.10 0.00 0.00 3.31 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.65 0.00 77 A 8.01 3.92 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 78 L 7.49 3.24 0.00 1.65 1.32 0.91 -0.18 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 79 L 8.01 3.90 0.00 1.81 1.79 0.86 0.86 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 80 R 8.20 3.90 0.00 2.01 1.95 0.00 3.17 0.00 0.00 3.19 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.82 0.00 81 E 8.41 4.01 0.00 2.06 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 2.59 2.84 0.00 82 C 8.65 4.06 0.00 2.95 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 83 A 8.00 3.94 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 84 S 8.02 4.06 0.00 3.94 4.11 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 85 R 8.23 4.66 0.00 2.33 2.17 0.00 3.50 0.00 0.00 3.38 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.85 0.00 86 V 8.24 3.70 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 1.07 0.00 0.00 0.95 0.00 0.00 87 A 8.55 4.62 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 88 Q 8.33 4.04 0.00 2.34 2.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.78 0.00 0.00 0.00 0.00 0.00 2.63 2.44 0.00 89 A 7.96 4.33 1.69 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 0.00 0.00 0.00 0.00 0.00 0.00 90 G 8.17 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 91 F 8.34 5.20 0.00 3.19 2.90 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 92 A 9.12 5.06 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 93 I 8.40 4.13 1.89 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 1.34 0.60 0.92 0.00 0.00 94 R 9.26 4.54 0.00 1.91 2.07 0.00 3.49 0.00 0.00 3.35 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 2.01 0.00 95 N 7.65 5.00 0.00 2.84 2.88 0.00 0.00 5.60 7.68 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 96 V 8.78 4.86 2.07 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 0.92 0.00 0.00 0.92 0.00 0.00 97 D 9.39 5.49 0.00 2.77 2.43 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 98 S 8.22 5.11 0.00 3.96 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 99 T 8.95 5.07 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 1.20 0.00 0.00 100 I 8.95 4.79 1.84 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 1.20 0.66 0.93 0.00 0.00 101 I 8.74 4.91 1.85 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 1.15 0.75 0.90 0.00 0.00 102 A 8.95 4.71 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 0.00 103 Q 8.98 3.85 0.00 2.17 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.67 0.00 0.00 0.00 0.00 0.00 2.52 2.42 0.00 104 A 7.26 4.44 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 0.00 105 P 0.00 4.43 0.00 2.08 1.79 0.00 3.35 0.00 0.00 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.65 0.00 106 K 8.39 4.01 0.00 1.75 1.78 0.00 1.72 0.00 0.00 1.68 0.00 0.00 2.98 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.43 1.40 7.81 107 L 8.41 4.49 0.00 1.67 1.68 0.88 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 108 A 8.20 3.97 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 0.00 109 P 0.00 4.16 0.00 1.66 2.00 0.00 3.51 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 2.11 0.00 110 H 8.12 4.80 0.00 3.26 3.29 0.00 5.82 0.00 0.00 0.00 0.00 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 I 7.43 3.73 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 1.60 0.59 0.90 0.00 0.00 112 D 8.10 4.33 0.00 2.68 2.71 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 0.00 0.00 0.00 0.00 113 A 7.92 3.97 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 0.00 114 M 7.76 4.23 0.00 2.10 2.26 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.82 2.59 0.00 115 R 8.29 3.89 0.00 1.99 1.98 0.00 3.12 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.80 0.00 116 A 8.17 3.97 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 0.00 117 N 8.48 4.27 0.00 2.94 2.86 0.00 0.00 7.07 6.93 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 0.00 118 I 8.16 3.72 1.86 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 1.43 0.90 0.89 0.00 0.00 119 A 8.33 3.99 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 0.00 120 A 7.98 3.92 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 0.00 121 D 7.82 4.34 0.00 2.81 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 0.00 122 L 7.84 4.32 0.00 1.61 1.69 0.89 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 123 D 7.61 4.35 0.00 2.78 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 0.00 124 L 7.98 4.84 0.00 1.61 1.53 0.92 0.91 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 0.00 125 P 0.00 4.33 0.00 2.30 1.98 0.00 3.62 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.09 0.00 126 L 8.73 3.93 0.00 1.71 1.68 0.92 1.17 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 0.00 127 D 8.07 4.73 0.00 2.81 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 0.00 128 R 8.25 4.63 0.00 1.92 2.07 0.00 3.08 0.00 0.00 3.34 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.54 0.00 129 V 7.74 4.80 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 0.73 0.00 0.00 0.93 0.00 0.00 130 N 9.09 5.11 0.00 2.84 2.76 0.00 0.00 6.19 7.56 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 0.00 131 V 8.29 4.78 2.07 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 1.24 0.00 0.00 0.92 0.00 0.00 132 K 9.01 4.83 0.00 1.78 1.65 0.00 1.65 0.00 0.00 1.64 0.00 0.00 2.86 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.34 1.49 7.81 133 A 8.42 5.21 1.16 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 0.00 0.00 0.00 0.00 0.00 0.00 134 K 9.25 4.77 0.00 1.57 1.63 0.00 1.66 0.00 0.00 1.69 0.00 0.00 2.90 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.33 1.49 7.81 135 T 8.34 4.75 4.38 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 1.23 0.00 0.00 136 N 8.59 4.78 0.00 2.73 2.76 0.00 0.00 7.02 7.65 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 0.00 137 E 8.60 3.82 0.00 2.05 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 2.24 2.39 0.00 138 K 8.26 4.26 0.00 1.93 1.93 0.00 1.66 0.00 0.00 1.70 0.00 0.00 3.04 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.36 1.50 7.81 139 L 7.90 4.46 0.00 1.76 1.52 0.90 1.02 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 0.00 140 G 8.53 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 0.00 141 Y 8.19 4.47 0.00 3.31 3.29 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 0.00 142 L 7.07 4.05 0.00 1.47 1.65 0.85 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 143 G 8.25 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 0.00 0.00 0.00 144 R 7.67 4.59 0.00 1.88 2.01 0.00 3.32 0.00 0.00 3.26 7.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.84 0.00 145 G 7.84 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 0.00 0.00 0.00 146 E 8.65 4.49 0.00 2.24 2.07 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 2.32 2.32 0.00 147 G 7.86 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 0.00 0.00 0.00 148 I 8.76 4.95 1.89 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 1.25 0.95 0.00 0.00 149 E 8.93 5.07 0.00 2.06 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 0.00 2.09 1.99 0.00 150 A 8.82 5.29 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 0.00 151 Q 9.29 5.18 0.00 1.95 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.66 0.00 0.00 0.00 0.00 0.00 2.42 2.30 0.00 152 A 9.01 5.22 1.20 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 0.00 153 A 9.40 5.19 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 0.00 154 A 9.00 5.06 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 0.00 155 L 8.85 5.09 0.00 1.79 1.71 1.06 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 156 V 8.93 5.17 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 1.01 0.00 0.00 0.91 0.00 0.00 157 V 8.95 4.81 1.59 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 0.63 0.00 0.00 0.06 0.00 0.00 158 R 8.68 4.50 0.00 0.77 1.58 0.00 2.68 0.00 0.00 2.25 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.07 0.00 * Residues marked with a * may have inaccurate shift predictions.