NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 M 4.4495 8.3044 120.3263 55.2334 33.4104 174.4720 1 V 4.2445 8.0250 121.5982 60.7363 34.4121 173.1815 2 L 4.3650 8.3257 127.4752 53.8400 43.7570 176.7897 3 S 4.5527 8.7887 117.5390 57.6345 65.3901 175.1366 4 E 4.2958 8.8073 122.3841 59.4559 29.3467 178.9459 5 G 3.6550 8.1210 105.3839 47.8076 0.0000 175.4283 6 E 3.9133 7.9311 120.3729 59.0107 29.4352 179.3750 7 W 4.3386 8.1066 118.9664 59.9602 29.0979 178.5820 8 Q 4.1699 8.6865 118.4120 58.9288 27.9791 178.8562 9 L 4.0772 7.9016 119.7061 57.6452 41.6719 179.6904 10 V 3.7493 7.9234 118.1861 66.2471 31.5955 178.1486 11 L 4.3545 8.6109 118.6944 57.4788 41.0061 178.9664 12 H 4.2654 8.5624 119.1684 59.2316 29.8758 177.6406 13 V 3.4481 7.8771 121.1276 64.3172 31.3294 178.1542 14 W 3.9583 8.5951 128.9350 60.1691 30.2704 177.7645 15 A 4.0048 7.9648 120.1977 54.9775 18.0346 179.4734 16 K 3.9931 7.4323 116.8674 59.3933 32.1661 179.6275 17 V 2.9690 7.3510 118.5053 65.7888 31.0815 177.5284 18 E 3.9175 7.7588 115.9085 57.8168 29.3299 178.3075 19 A 4.2545 7.4970 120.6015 53.2754 19.9739 177.4836 20 D 4.5742 7.8239 116.8340 51.6396 42.0282 175.5653 21 V 3.3131 7.8437 122.8092 65.4089 32.0528 176.8487 22 A 3.9553 7.8461 120.2293 54.9246 18.2925 179.7296 23 G 3.6204 8.0068 105.6153 47.7504 0.0000 175.7977 24 H 3.7672 7.9223 119.0330 58.0450 28.5219 178.1174 25 G 3.1843 7.6004 107.6219 47.5494 0.0000 175.5446 26 Q 3.7834 7.8489 121.9546 58.9960 29.0828 177.8781 27 D 4.2831 7.8328 119.8363 57.1522 40.7765 178.9601 28 W 4.4011 8.0150 119.3953 59.9889 29.0852 178.6558 29 L 3.5692 7.6783 118.4866 57.5671 40.8586 179.6920 30 I 3.6257 7.7456 119.9223 64.2537 36.9648 178.3903 31 R 3.8143 8.1022 119.6792 59.1793 29.7873 178.2397 32 L 3.9053 7.8866 120.1027 58.4040 41.9247 179.1243 33 F 4.5518 7.8549 117.7166 60.3182 38.5323 177.7555 34 K 3.9894 8.1987 119.0655 59.7163 32.1632 178.9324 35 S 4.2512 8.0477 114.2553 60.3873 64.1805 174.4878 36 H 4.7285 8.2894 118.4265 51.8707 29.4538 171.7542 37 P 4.5089 0.0000 0.0000 64.6462 31.1110 177.5929 38 E 4.1399 8.2091 115.9672 59.2672 29.5113 179.0810 39 T 3.7784 8.2563 111.4968 64.4019 68.7723 176.2662 40 L 3.6741 7.9279 122.9242 58.0150 41.7436 178.7067 41 E 4.0405 7.8135 117.1517 59.0172 29.4349 178.8634 42 K 4.4695 8.1698 117.0556 56.9489 32.7285 177.4228 43 F 4.6125 8.2814 119.2896 55.5892 39.4074 175.8219 44 D 4.4122 8.5533 124.6209 57.0513 40.9998 178.5864 45 R 3.8260 7.8227 118.1693 58.2354 30.3309 176.5886 46 F 5.0781 7.9097 113.9644 56.6295 40.5334 176.5252 47 K 4.1619 8.1493 119.7589 58.7068 32.5133 177.4305 48 H 4.4751 8.1152 114.5030 57.0656 29.2062 175.6702 49 L 4.1027 7.4759 121.4567 54.9959 41.6630 176.9130 50 K 4.3173 9.3772 123.6160 57.3821 33.4111 176.9066 51 T 4.7461 7.3008 107.5777 58.8746 73.2805 174.2654 52 E 3.9221 8.6260 120.7822 59.2105 29.7052 178.4200 53 A 3.9900 7.9591 120.4821 55.3298 18.2542 179.3391 54 E 3.9733 7.9798 115.9909 59.6140 29.8151 179.2260 55 M 4.1653 7.9363 118.9113 58.3849 31.8305 178.9590 56 K 3.9599 8.2484 117.6292 59.1036 32.2913 178.6256 57 A 4.3767 7.6392 118.4963 52.1597 19.0812 177.2267 58 S 4.2541 7.4409 113.3393 57.5233 62.7421 174.4464 59 E 3.9906 8.8636 129.3557 59.2451 29.4680 177.9816 60 D 4.4310 8.1183 117.8632 57.2939 41.3711 177.8501 61 L 3.4326 8.0899 120.9362 57.6892 41.9785 178.8400 62 K 3.8363 7.9172 119.3695 59.2673 32.2197 178.7225 63 K 3.9532 8.2654 120.0479 59.8348 32.0454 178.3323 64 H 4.4830 8.5914 118.7642 59.0826 29.7239 177.4337 65 G 3.5572 8.3247 107.9048 47.6872 0.0000 175.8617 66 V 3.5275 7.7671 120.5302 66.0350 31.5790 178.2454 67 T 3.8906 7.8355 115.2905 66.6445 68.3313 176.8255 68 V 3.6665 8.0761 120.3808 65.9792 31.5992 177.8616 69 L 4.4976 8.2739 120.2956 58.6738 41.9472 179.0727 70 T 4.0704 8.3764 115.7376 66.5675 68.2386 176.5936 71 A 4.0572 8.2293 122.8316 55.0713 18.3774 179.4951 72 L 3.8183 8.2892 119.1011 58.0411 42.1424 179.3759 73 G 3.3421 8.8082 106.0507 47.6632 0.0000 175.5466 74 A 4.0170 7.8847 122.1964 54.8064 18.7507 179.6376 75 I 3.8085 7.4314 118.5159 64.5648 37.2557 178.6140 76 L 3.9841 7.9476 120.2123 57.6610 41.1647 179.6127 77 K 3.9535 7.7371 116.9769 58.4632 32.2382 178.7753 78 K 3.9477 7.7486 118.0601 56.1771 32.4577 176.6870 79 K 2.0000 8.2619 118.1982 56.3890 29.8469 175.6352 80 G 3.9781 7.9514 106.1048 45.7386 0.0000 174.1665 81 H 4.5537 7.3057 119.1999 55.1137 27.4231 174.7484 82 H 5.2904 7.2350 111.2205 54.3010 29.6506 176.1428 83 E 3.9564 8.5852 122.7190 60.2263 28.9739 178.7306 84 A 4.0391 7.9184 118.8065 55.2168 18.5817 179.0222 85 E 4.1132 8.1597 116.6955 59.4114 29.5429 179.3053 86 L 4.1329 8.2000 119.1501 57.1965 41.5831 179.4214 87 K 3.9554 7.8715 119.1811 59.1469 32.0345 177.5516 88 P 4.2954 0.0000 0.0000 65.6070 31.2757 178.1901 89 L 4.0205 7.5310 117.1921 57.9641 42.0035 178.7831 90 A 4.1918 8.4156 121.1695 55.1605 18.3074 179.4219 91 Q 3.9028 8.3898 118.4588 59.4016 29.1135 178.6655 92 S 4.0407 8.3589 115.4978 61.7893 63.0392 176.0690 93 H 4.1953 8.7289 119.3637 57.8640 28.2414 177.5537 94 A 2.8157 7.9142 122.2555 54.3300 18.5388 178.9576 95 T 3.9389 7.4781 112.4099 64.9877 69.2815 176.3639 96 K 4.0229 7.4562 120.0273 59.0781 32.7270 177.3731 97 H 4.2801 7.8898 114.5149 56.2211 29.4486 175.5762 98 K 3.2188 7.4611 117.1338 57.0002 28.5808 175.1857 99 I 4.3386 8.0653 118.9675 58.7040 38.3731 174.9767 100 P 4.4834 0.0000 0.0000 62.2547 32.1466 177.3997 101 I 3.6663 8.3350 120.6808 64.5901 36.8993 178.4221 102 K 3.6706 7.8963 119.8843 59.7978 31.9426 178.2365 103 Y 4.2762 7.9099 116.6695 60.7183 37.8894 178.1079 104 L 4.2468 7.8706 119.7516 57.5012 41.7807 179.0776 105 E 4.0188 8.1246 118.9201 59.3954 29.3926 179.2435 106 F 4.5273 7.9009 117.9090 60.7235 38.9647 177.5591 107 I 3.8864 8.1495 118.1452 63.7766 37.7307 178.1991 108 S 4.0612 8.0414 116.0798 61.4587 62.6841 176.0835 109 E 3.9691 8.3752 121.8516 59.2616 29.3637 178.7837 110 A 4.0434 7.9657 120.8751 55.1176 18.3343 179.7305 111 I 2.7888 7.5803 118.3792 64.1872 36.9905 178.7133 112 I 3.7128 7.6494 120.7523 64.5623 36.9133 177.9655 113 H 4.1312 8.3606 119.1334 59.2816 29.6373 177.5843 114 V 3.6901 7.9095 120.1066 65.9943 31.4375 178.0532 115 L 3.9034 8.1537 119.1100 57.9070 41.0512 178.9673 116 H 4.4186 8.0206 117.4933 59.3804 29.8694 177.2681 117 S 4.2105 7.9195 116.3459 61.1708 62.7957 176.1280 118 R 4.2058 8.0123 119.0993 56.9924 31.4912 176.2737 119 H 5.0168 8.1940 115.8796 53.7260 29.2795 172.8907 120 P 4.3286 0.0000 0.0000 65.8614 31.6197 179.2504 121 G 3.6795 8.1363 106.5329 47.4181 0.0000 173.7155 122 N 4.9693 8.1522 115.0408 52.9998 39.5384 174.7471 123 F 4.9434 7.7471 118.5490 56.4337 39.5332 174.2157 124 G 3.9178 7.5999 109.2678 43.8612 0.0000 171.7777 125 A 3.8820 8.4123 120.6416 55.4773 18.3151 179.7251 126 D 4.1864 7.9577 116.5666 57.3828 40.9637 178.7440 127 A 3.9303 7.7263 120.8778 55.0328 18.4503 179.3242 128 Q 3.1542 7.7511 118.4024 58.8010 29.0415 178.5064 129 G 3.5860 8.0724 106.7216 47.8174 0.0000 175.5359 130 A 3.8785 7.8256 123.1411 54.9155 18.3678 179.4633 131 M 3.9562 8.1253 116.8286 58.7332 32.3080 177.9042 132 N 4.2812 8.6153 117.6931 56.5854 39.0870 176.7354 133 K 3.8508 8.0892 120.7836 59.3804 32.2842 178.6713 134 A 3.8168 8.0024 121.2008 55.1116 18.2104 179.6194 135 L 4.1222 8.1390 117.4734 57.7080 41.6174 179.4809 136 E 3.9708 8.6089 119.2915 59.0508 29.2802 179.0930 137 L 3.9240 8.0903 120.4805 58.0689 42.1710 178.5485 138 F 4.1321 8.3002 120.5718 61.6961 39.1990 177.3720 139 R 3.4371 8.2075 117.5057 58.7834 29.7741 178.9874 140 K 3.8132 8.2391 119.7862 59.6845 32.2684 178.7068 141 D 4.3250 8.1798 119.2391 57.3091 40.6655 178.8637 142 I 3.4475 7.5854 120.3668 64.0324 36.9397 178.3304 143 A 3.6972 7.9361 121.7430 54.9114 18.2780 179.5775 144 A 3.9512 7.9010 119.3869 55.1884 18.4303 180.0864 145 K 4.0095 8.0108 117.0343 59.6542 32.1160 179.0114 146 Y 4.4287 8.4454 117.5990 61.2084 37.9171 178.8016 147 K 3.9679 8.1939 120.2971 59.7267 32.1090 178.7094 148 E 4.0489 7.9461 117.1988 59.1693 29.4610 178.6790 149 L 4.3305 7.9063 117.0193 55.3788 41.9578 177.8077 150 G 3.9821 7.9174 106.9351 45.0820 0.0000 172.2721 151 Y 4.7418 7.6414 120.2440 55.1865 40.5863 175.5688 152 Q 3.7705 8.3089 128.4263 57.4271 29.5581 175.9906 153 G 3.8927 6.0182 109.8312 45.6606 0.0000 172.8935 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 0 M 8.30 4.45 0.00 2.01 2.07 0.00 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.51 0.00 1 V 8.02 4.24 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 0.87 0.00 0.00 0.95 0.00 0.00 2 L 8.33 4.36 0.00 0.97 0.74 0.60 -0.20 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 3 S 8.79 4.55 0.00 4.04 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 4 E 8.81 4.30 0.00 2.19 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 0.00 2.43 2.52 0.00 5 G 8.12 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 7.93 3.91 0.00 1.90 1.71 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 2.21 2.25 0.00 7 W 8.11 4.34 0.00 3.60 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 8 Q 8.69 4.17 0.00 2.26 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.81 0.00 0.00 0.00 0.00 0.00 2.70 2.61 0.00 9 L 7.90 4.08 0.00 1.84 1.74 0.88 1.07 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 10 V 7.92 3.75 2.44 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 1.19 0.00 0.00 0.91 0.00 0.00 11 L 8.61 4.35 0.00 1.84 1.83 0.96 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 12 H 8.56 4.27 0.00 3.43 3.56 0.00 5.78 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 V 7.88 3.45 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 1.11 0.00 0.00 0.89 0.00 0.00 14 W 8.60 3.96 0.00 3.74 3.34 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 15 A 7.96 4.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 K 7.43 3.99 0.00 1.59 1.78 0.00 1.66 0.00 0.00 1.51 0.00 0.00 2.73 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.51 1.52 7.81 17 V 7.35 2.97 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 0.01 0.00 0.00 0.63 0.00 0.00 18 E 7.76 3.92 0.00 1.98 1.91 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 2.24 2.03 0.00 19 A 7.50 4.25 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 20 D 7.82 4.57 0.00 2.65 2.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 V 7.84 3.31 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 0.97 0.00 0.00 0.81 0.00 0.00 22 A 7.85 3.96 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 23 G 8.01 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 H 7.92 3.77 0.00 2.56 2.10 0.00 5.82 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 25 G 7.60 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 0.00 0.00 0.00 26 Q 7.85 3.78 0.00 2.09 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.72 0.00 0.00 0.00 0.00 0.00 2.25 2.29 0.00 27 D 7.83 4.28 0.00 2.70 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 28 W 8.01 4.40 0.00 3.38 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 29 L 7.68 3.57 0.00 1.39 1.04 0.80 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 30 I 7.75 3.63 1.86 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.72 0.89 0.00 0.00 31 R 8.10 3.81 0.00 2.01 2.17 0.00 3.05 0.00 0.00 2.97 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.64 0.00 32 L 7.89 3.91 0.00 1.76 1.43 1.04 0.91 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 33 F 7.85 4.55 0.00 3.06 2.91 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 34 K 8.20 3.99 0.00 1.86 1.97 0.00 1.78 0.00 0.00 1.67 0.00 0.00 2.99 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.41 1.46 7.81 35 S 8.05 4.25 0.00 3.75 3.58 0.00 0.00 0.00 0.00 0.00 0.00 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 H 8.29 4.73 0.00 2.99 2.72 0.00 5.64 0.00 0.00 0.00 0.00 6.88 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 4.51 0.00 2.15 2.12 0.00 3.83 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.24 0.00 38 E 8.21 4.14 0.00 2.30 2.29 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 2.27 2.53 0.00 39 T 8.26 3.78 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 0.84 0.00 0.00 40 L 7.93 3.67 0.00 1.40 1.72 -0.03 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 41 E 7.81 4.04 0.00 2.26 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 0.00 2.38 2.41 0.00 42 K 8.17 4.47 0.00 1.98 1.76 0.00 1.88 0.00 0.00 1.77 0.00 0.00 3.16 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.76 1.98 7.81 43 F 8.28 4.61 0.00 3.25 2.97 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 44 D 8.55 4.41 0.00 2.62 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 45 R 7.82 3.83 0.00 1.45 1.20 0.00 2.99 0.00 0.00 2.81 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.32 0.00 46 F 7.91 5.08 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 47 K 8.15 4.16 0.00 1.87 2.22 0.00 1.59 0.00 0.00 1.79 0.00 0.00 2.98 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.61 1.46 7.81 48 H 8.12 4.48 0.00 3.31 3.47 0.00 5.53 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 L 7.48 4.10 0.00 1.60 1.58 0.88 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 50 K 9.38 4.32 0.00 1.68 1.84 0.00 1.65 0.00 0.00 1.76 0.00 0.00 3.03 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.39 1.53 7.81 51 T 7.30 4.75 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 52 E 8.63 3.92 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 2.36 2.36 0.00 53 A 7.96 3.99 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 54 E 7.98 3.97 0.00 2.10 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.34 0.00 55 M 7.94 4.17 0.00 2.07 2.25 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.75 2.57 0.00 56 K 8.25 3.96 0.00 1.81 1.84 0.00 1.67 0.00 0.00 1.67 0.00 0.00 2.99 0.00 0.00 3.21 0.00 0.00 0.00 0.00 1.43 1.59 7.81 57 A 7.64 4.38 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 58 S 7.44 4.25 0.00 3.90 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 59 E 8.86 3.99 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 2.39 2.44 0.00 60 D 8.12 4.43 0.00 2.97 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 61 L 8.09 3.43 0.00 1.29 1.56 -0.12 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 62 K 7.92 3.84 0.00 1.84 1.93 0.00 1.63 0.00 0.00 1.51 0.00 0.00 2.83 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.40 1.37 7.81 63 K 8.27 3.95 0.00 2.00 2.06 0.00 1.74 0.00 0.00 1.66 0.00 0.00 2.96 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.52 1.49 7.81 64 H 8.59 4.48 0.00 3.65 3.55 0.00 5.84 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 65 G 8.32 3.56 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 V 7.77 3.53 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 1.09 0.00 0.00 0.91 0.00 0.00 67 T 7.84 3.89 4.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 68 V 8.08 3.67 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 1.19 0.00 0.00 1.01 0.00 0.00 69 L 8.27 4.50 0.00 1.79 1.64 0.06 0.91 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 70 T 8.38 4.07 4.34 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 1.28 0.00 0.00 71 A 8.23 4.06 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 L 8.29 3.82 0.00 1.73 1.97 0.31 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 73 G 8.81 3.34 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 0.00 74 A 7.88 4.02 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 75 I 7.43 3.81 1.87 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.19 0.91 0.00 0.00 76 L 7.95 3.98 0.00 1.07 1.53 -0.05 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 77 K 7.74 3.95 0.00 1.70 1.80 0.00 1.72 0.00 0.00 1.73 0.00 0.00 3.17 0.00 0.00 3.31 0.00 0.00 0.00 0.00 1.45 1.45 7.81 78 K 7.75 3.95 0.00 1.86 1.81 0.00 1.74 0.00 0.00 1.60 0.00 0.00 2.98 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.64 1.75 7.81 79 K 8.26 2.00 0.00 1.22 0.74 0.00 1.46 0.00 0.00 1.42 0.00 0.00 2.73 0.00 0.00 2.98 0.00 0.00 0.00 0.00 0.38 0.84 7.81 80 G 7.95 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 81 H 7.31 4.55 0.00 3.17 3.23 0.00 5.80 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 82 H 7.24 5.29 0.00 3.30 3.45 0.00 5.66 0.00 0.00 0.00 0.00 6.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 E 8.59 3.96 0.00 2.08 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 0.00 2.41 2.43 0.00 84 A 7.92 4.04 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 85 E 8.16 4.11 0.00 2.26 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 0.00 2.41 2.48 0.00 86 L 8.20 4.13 0.00 1.96 1.73 0.98 0.64 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 87 K 7.87 3.96 0.00 1.77 1.89 0.00 1.69 0.00 0.00 1.72 0.00 0.00 3.00 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.49 1.66 7.81 88 P 0.00 4.30 0.00 2.31 2.34 0.00 3.95 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 2.23 2.05 0.00 89 L 7.53 4.02 0.00 1.94 1.92 0.99 1.11 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 90 A 8.42 4.19 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.39 3.90 0.00 2.15 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.76 0.00 0.00 0.00 0.00 0.00 2.33 2.34 0.00 92 S 8.36 4.04 0.00 4.01 4.13 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 93 H 8.73 4.20 0.00 3.59 3.62 0.00 5.80 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 94 A 7.91 2.82 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 T 7.48 3.94 4.18 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 1.11 0.00 0.00 96 K 7.46 4.02 0.00 1.54 1.60 0.00 1.69 0.00 0.00 1.57 0.00 0.00 3.02 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.23 1.34 7.81 97 H 7.89 4.28 0.00 3.03 3.15 0.00 5.86 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 98 K 7.46 3.22 0.00 1.79 1.73 0.00 1.66 0.00 0.00 1.63 0.00 0.00 2.88 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.01 1.22 7.81 99 I 8.07 4.34 2.12 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 1.55 0.96 1.17 0.00 0.00 100 P 0.00 4.48 0.00 1.92 1.97 0.00 3.35 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.71 1.31 0.00 101 I 8.34 3.67 1.80 0.00 0.00 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.06 0.81 0.00 0.00 102 K 7.90 3.67 0.00 1.65 1.60 0.00 1.71 0.00 0.00 1.91 0.00 0.00 3.37 0.00 0.00 3.15 0.00 0.00 0.00 0.00 0.65 1.26 7.81 103 Y 7.91 4.28 0.00 3.27 3.08 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 0.00 0.00 0.00 104 L 7.87 4.25 0.00 1.82 1.78 0.73 1.17 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 0.00 105 E 8.12 4.02 0.00 2.04 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 2.30 2.43 0.00 106 F 7.90 4.53 0.00 3.19 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 0.00 107 I 8.15 3.89 2.02 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.39 1.04 0.00 0.00 108 S 8.04 4.06 0.00 4.17 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 0.00 109 E 8.38 3.97 0.00 2.15 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 0.00 2.36 2.39 0.00 110 A 7.97 4.04 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 0.00 111 I 7.58 2.79 1.56 0.00 0.00 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 0.12 -0.08 0.00 0.00 112 I 7.65 3.71 2.07 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 1.64 0.76 1.11 0.00 0.00 113 H 8.36 4.13 0.00 3.37 3.51 0.00 5.78 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 V 7.91 3.69 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 1.20 0.00 0.00 1.20 0.00 0.00 115 L 8.15 3.90 0.00 0.54 0.61 0.80 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 116 H 8.02 4.42 0.00 3.46 3.60 0.00 5.95 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 0.00 117 S 7.92 4.21 0.00 3.98 3.86 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 0.00 118 R 8.01 4.21 0.00 1.66 1.65 0.00 3.09 0.00 0.00 2.99 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.65 0.00 119 H 8.19 5.02 0.00 3.26 3.23 0.00 5.63 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 0.00 120 P 0.00 4.33 0.00 2.21 2.28 0.00 3.74 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 1.95 0.00 121 G 8.14 3.68 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 N 8.15 4.97 0.00 2.85 2.97 0.00 0.00 6.67 7.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 F 7.75 4.94 0.00 3.03 3.04 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 0.00 124 G 7.60 3.92 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 0.00 0.00 0.00 125 A 8.41 3.88 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 126 D 7.96 4.19 0.00 2.64 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 0.00 127 A 7.73 3.93 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 0.00 128 Q 7.75 3.15 0.00 1.24 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.73 0.00 0.00 0.00 0.00 0.00 2.24 2.31 0.00 129 G 8.07 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 0.00 130 A 7.83 3.88 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 131 M 8.13 3.96 0.00 2.37 2.36 0.00 0.00 0.00 0.00 0.00 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.71 2.86 0.00 132 N 8.62 4.28 0.00 2.85 2.93 0.00 0.00 6.87 6.75 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 0.00 133 K 8.09 3.85 0.00 1.92 1.69 0.00 1.58 0.00 0.00 1.56 0.00 0.00 2.83 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.29 1.36 7.81 134 A 8.00 3.82 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 0.00 135 L 8.14 4.12 0.00 1.72 1.77 0.87 0.64 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 0.00 136 E 8.61 3.97 0.00 2.10 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 2.32 2.55 0.00 137 L 8.09 3.92 0.00 1.85 1.95 1.08 0.98 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 0.00 138 F 8.30 4.13 0.00 3.12 3.22 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 0.00 139 R 8.21 3.44 0.00 1.94 1.82 0.00 3.15 0.00 0.00 3.29 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.95 0.00 140 K 8.24 3.81 0.00 1.82 1.93 0.00 1.61 0.00 0.00 1.63 0.00 0.00 2.92 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.39 1.44 7.81 141 D 8.18 4.33 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 0.00 142 I 7.59 3.45 1.23 0.00 0.00 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 -0.36 0.06 0.00 0.00 143 A 7.94 3.70 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 0.00 144 A 7.90 3.95 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 0.00 145 K 8.01 4.01 0.00 1.95 1.93 0.00 1.73 0.00 0.00 1.67 0.00 0.00 2.95 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.45 1.63 7.81 146 Y 8.45 4.43 0.00 3.19 3.19 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 0.00 147 K 8.19 3.97 0.00 1.97 2.01 0.00 1.63 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.44 1.49 7.81 148 E 7.95 4.05 0.00 2.22 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 0.00 2.36 2.53 0.00 149 L 7.91 4.33 0.00 1.82 1.72 1.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 150 G 7.92 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 0.00 151 Y 7.64 4.74 0.00 2.61 2.56 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 0.00 0.00 0.00 0.00 152 Q 8.31 3.77 0.00 1.88 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.54 0.00 0.00 0.00 0.00 0.00 2.15 2.23 0.00 153 G 6.02 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