NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *4 H 4.5074 8.4293 117.3529 53.9909 30.3694 173.3775 5 D 4.8935 7.7368 116.4629 52.4852 39.6243 173.4879 6 E 4.1843 9.0058 121.2116 57.4745 31.3374 176.7475 7 R 5.0516 8.3979 122.7130 54.9599 34.1855 174.4667 8 T 4.7897 8.9504 115.7066 60.7652 71.7108 171.9757 9 F 5.0373 8.9050 128.8236 57.2449 41.5212 174.5506 10 V 4.6039 7.9070 124.8668 61.4003 35.3035 173.4111 11 M 4.9395 8.6130 126.5785 53.6140 36.0596 173.9353 12 V 4.3356 8.7203 126.6385 62.3790 32.9076 175.8793 13 K 4.4829 8.6707 127.7617 55.3255 33.1979 176.4619 14 P 4.4746 0.0000 0.0000 64.9829 31.0285 178.5336 15 D 4.5957 8.4674 117.6420 56.7929 39.2308 178.8438 16 G 3.7678 8.2155 107.3827 47.0606 0.0000 175.5122 17 V 3.6447 7.9584 120.4582 66.0460 31.4031 178.2496 18 Q 4.1029 8.1819 116.6794 58.8779 28.6577 178.1716 19 R 4.2876 7.9404 115.8610 55.9038 30.3127 176.4412 20 G 3.7650 7.8930 106.2122 47.7389 0.0000 175.0461 21 L 4.4914 7.6786 116.9570 53.8769 42.4324 177.7702 22 I 3.8051 7.6766 121.4600 64.5412 37.0810 178.2061 23 G 3.6724 7.9910 105.8252 48.0988 0.0000 175.1704 24 D 4.3937 7.9971 120.7610 57.0421 40.6135 178.8624 25 I 3.7479 7.8022 120.4596 64.3869 37.0825 178.6119 26 V 3.8072 8.0711 119.1425 66.2355 31.2178 178.0816 27 T 3.9097 8.2693 115.6783 66.9578 67.9449 176.4543 28 R 3.6156 7.7362 119.7659 59.6643 29.9538 178.9720 29 L 3.7582 7.4105 118.0949 57.3949 41.4687 179.2301 30 E 4.4286 8.5174 118.8878 59.6607 29.1973 179.3097 31 T 3.9090 8.6412 116.3264 66.5148 68.6722 175.7974 32 K 4.1814 7.3553 117.7270 56.9136 32.3961 177.2974 33 G 4.0503 7.7928 106.3880 45.7423 0.0000 174.3035 34 L 4.3826 7.3597 119.9930 54.7119 42.6129 176.4090 35 K 4.5535 9.1414 124.7196 55.0737 33.8020 175.2339 36 M 3.3432 8.6858 127.9529 55.4889 32.4359 175.9180 37 V 4.5964 8.8343 117.9866 61.0246 34.9938 175.5755 38 G 4.0798 7.5248 107.2101 44.1810 0.0000 171.8755 39 G 4.4663 8.6312 109.6730 44.3353 0.0000 172.1333 40 K 4.5525 8.5510 123.7306 55.5283 35.8592 173.8950 41 F 5.4239 9.3344 131.4495 58.1104 40.3380 174.3814 42 M 4.4313 8.2418 120.9947 54.6771 34.6442 173.4593 43 R 4.6876 8.5455 120.7803 55.0301 31.9973 175.3359 44 I 4.2504 8.1386 126.3045 59.9853 38.8220 175.9957 45 D 4.7334 8.1851 124.9612 52.0837 42.1928 177.3029 46 E 3.9050 8.6376 119.5246 60.5606 29.4660 178.7370 47 E 3.7693 8.4557 115.8797 60.4854 29.3914 178.8901 48 L 3.7761 8.6113 119.5688 58.4411 42.3685 179.6771 49 A 4.0458 7.9587 120.5158 55.5654 18.1254 179.3669 50 H 4.3927 8.3294 113.8825 59.0215 28.7999 177.6696 51 E 4.1743 8.0993 119.8579 59.6001 29.4492 178.4103 52 H 4.3123 8.4497 117.7196 58.2864 30.3070 175.4056 53 Y 4.9682 8.1128 118.3984 57.5990 38.7536 177.3393 54 A 4.3456 8.1657 123.7804 54.1915 18.9148 179.9761 55 E 4.1934 8.1993 112.7991 58.3596 30.3983 177.1710 56 H 4.8152 8.3075 116.2515 55.1572 29.2660 174.2198 57 E 2.6813 7.1971 120.0151 57.3456 29.6070 177.4069 58 D 4.4701 8.0685 122.9629 54.6129 39.8307 174.6334 59 K 4.0420 7.2500 119.2270 55.3274 32.4907 176.2350 60 P 4.2652 0.0000 0.0000 65.1864 31.5235 177.1537 61 F 4.7385 7.3052 110.7888 56.6684 39.0120 177.1612 62 F 3.9328 7.8875 124.7331 61.7806 39.0171 176.5845 63 D 4.3019 8.2491 117.8895 57.1855 40.7346 178.6750 64 G 3.7066 8.1126 105.6919 47.8172 0.0000 174.8616 65 L 3.9744 8.4481 123.6767 57.9139 41.7771 179.4151 66 V 3.4509 7.3730 116.3467 65.9629 31.6238 177.5521 67 S 4.2668 8.1324 115.2569 61.7506 62.7647 176.4718 68 F 4.3658 8.6484 123.1824 61.4862 39.0065 176.4636 69 I 3.5411 7.6757 114.5270 61.9411 38.0485 176.1276 70 T 4.4923 7.2417 112.0424 62.6884 67.7778 174.8195 71 S 4.5799 7.6971 114.1759 58.1753 63.8101 173.7654 72 G 3.9422 6.5758 110.5983 44.4465 0.0000 170.9836 73 P 4.4039 0.0000 0.0000 62.4309 33.0318 174.9685 74 V 4.3981 8.1372 119.0002 60.9842 35.4828 174.1753 75 F 5.4386 8.7938 127.3568 56.7175 40.8262 173.8453 76 A 4.6098 9.2360 130.0717 51.1381 20.7471 175.7314 77 M 5.1801 8.4625 119.7156 54.0650 37.6103 173.9857 78 V 4.8689 8.1822 119.5584 61.0432 34.9198 174.3519 79 W 5.2723 9.5247 126.8615 54.8977 33.2226 173.9457 80 E 5.0984 10.6168 123.2445 54.0355 33.0670 175.9702 81 G 4.1412 7.7804 111.6436 44.4720 0.0000 171.5335 82 A 3.9727 8.1514 123.8548 53.0244 18.8074 177.2905 83 D 4.6148 9.1353 122.1287 53.8201 40.0313 175.4871 84 A 4.0571 8.0218 120.6030 55.0582 18.6264 179.4322 85 T 3.9103 7.7737 115.7803 66.3776 68.6002 176.7489 86 R 3.7459 7.8876 119.8602 59.5144 30.2252 178.2691 87 Q 3.9656 8.2265 117.9425 58.9645 28.5530 179.2286 88 V 3.5046 8.1438 119.6475 65.9440 31.4478 178.2812 89 R 3.9154 7.7523 117.3793 59.4710 29.6764 179.1018 90 Q 3.9992 8.0041 116.8524 58.7589 28.9572 178.4161 91 L 4.1011 7.9273 120.1142 58.0618 41.5744 179.4534 92 M 4.0648 8.2564 119.0396 56.7293 31.8851 177.7057 93 G 4.1355 7.6692 103.8084 44.2046 0.0000 172.3860 94 A 4.2214 8.0953 121.3904 52.1429 18.9109 178.0116 95 T 3.9125 8.3411 109.7965 64.4996 69.3791 174.5789 96 D 4.3623 7.9565 123.0479 53.0513 40.8853 175.7175 97 A 4.0661 8.3048 130.6077 55.5510 18.4890 179.5174 98 Q 4.0563 8.3004 113.0879 58.5496 28.8181 177.2593 99 D 4.6784 8.1548 115.5765 54.3161 42.1321 176.6917 100 A 4.2993 7.4107 120.6442 51.4810 19.2967 177.5089 101 A 4.2115 8.4858 122.2075 50.9900 19.8825 175.5491 102 P 4.4303 0.0000 0.0000 64.0005 31.6868 177.0918 103 G 3.9132 9.9987 111.7703 45.8743 0.0000 174.5699 104 T 4.5342 7.3083 110.1275 60.3851 71.6965 176.0221 105 I 3.7903 8.2136 122.8035 64.8088 37.1183 179.1704 106 R 4.0825 8.3560 119.3054 59.2822 29.6753 179.4543 107 G 3.5837 8.0923 104.5190 47.4338 0.0000 175.2562 108 D 4.3336 8.1665 120.8147 56.4291 41.0866 176.9062 109 Y 4.8101 8.1291 114.1683 57.5138 39.7564 175.8642 110 G 4.3171 8.1769 108.8048 43.8999 0.0000 172.5731 111 N 5.0285 8.3970 118.4309 52.4303 39.5411 173.2099 112 D 4.6257 7.7407 113.5542 52.5790 44.5461 175.5050 113 L 3.9770 8.4455 124.2045 57.7749 42.5774 178.3863 114 G 3.4883 8.0437 105.5716 48.8313 0.0000 174.4303 115 H 4.2121 7.5036 122.2561 53.5986 27.2826 174.6824 116 N 4.9814 8.0070 122.3050 52.1526 38.2055 177.6915 117 L 4.0580 9.4974 122.3301 56.8193 41.6344 174.1865 118 I 4.8091 7.4550 114.5606 60.4567 41.5873 173.2629 119 H 4.9982 9.0150 126.7572 54.4826 33.2154 172.2919 120 G 4.4548 8.3658 111.1068 44.1704 0.0000 172.3278 121 S 4.7692 8.5348 118.4327 57.5334 64.3815 173.5175 122 D 4.5060 8.8100 123.9248 54.3239 41.1935 176.7226 123 H 4.3348 8.9812 122.9629 57.9610 28.8032 175.8550 124 E 4.3376 8.3318 118.0961 55.7815 29.4230 174.8059 125 D 4.7469 7.8534 122.7852 52.6034 42.1372 175.9418 126 E 4.1703 8.6466 123.8900 57.1521 30.3947 173.6547 127 G 4.0688 9.0537 112.6140 44.7126 0.0000 175.1807 128 A 4.1259 7.7230 121.6848 55.6433 18.2409 178.3172 129 N 4.4315 8.3767 115.9167 56.3192 37.0125 176.8584 130 E 4.0280 9.8376 122.5193 58.1224 29.9048 179.6543 131 R 3.8766 8.6067 119.4179 59.6189 30.0418 178.4551 132 E 4.0210 8.3326 118.2578 59.0828 29.4034 179.2608 133 I 3.8042 7.9250 119.8350 64.4409 36.9913 178.2292 134 A 4.2142 7.7030 119.6389 54.5543 18.3801 179.3620 135 L 3.9539 7.5918 116.9846 57.6174 41.7560 178.8356 136 F 4.2022 7.9869 115.6444 56.8451 39.8485 176.2323 137 F 4.9816 8.1865 116.9743 55.2633 42.0248 174.7003 138 D 4.6056 8.8961 125.1443 54.0535 41.8028 177.0903 139 D 4.4181 8.9999 122.7817 57.9174 40.8813 178.8824 140 D 4.5418 8.1740 115.4630 56.0438 41.2433 175.9726 141 E 4.6756 8.3218 116.4911 56.5460 30.4895 175.4754 142 L 4.7632 7.6181 118.9427 53.3562 43.4190 176.1366 143 V 4.5225 8.3964 121.6696 61.2806 34.0788 174.3211 144 D 5.2037 8.4945 126.7731 52.6147 42.4874 175.6398 145 W 4.5228 8.1467 118.2291 56.2900 30.2395 173.2757 146 D 4.4885 8.7610 118.3944 52.0727 42.0384 176.2984 147 R 4.0714 7.7124 125.6470 56.0372 30.2335 176.8647 148 D 4.5162 8.8613 125.9983 56.5671 41.4218 178.5215 149 A 4.3569 8.0903 120.8435 54.7466 18.2896 179.3280 150 S 4.3791 8.1186 113.8572 61.6564 62.6113 176.4431 151 A 4.0301 7.5793 121.2878 53.7207 18.1492 178.5122 152 W 4.6933 8.3653 115.8517 57.3841 30.1819 178.1152 153 V 3.6744 7.6999 117.5727 63.9389 31.4672 175.2805 154 Y 4.8770 6.9915 114.0991 55.5544 41.2090 175.2927 155 E 4.1367 8.9192 121.0800 56.8886 29.5173 177.0105 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 *4 H 8.43 4.51 0.00 2.95 3.06 0.00 7.15 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 D 7.74 4.89 0.00 2.65 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 6 E 9.01 4.18 0.00 2.06 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 2.40 2.36 0.00 7 R 8.40 5.05 0.00 1.68 1.78 0.00 3.23 0.00 0.00 3.12 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.58 0.00 8 T 8.95 4.79 4.31 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 1.34 0.00 0.00 9 F 8.90 5.04 0.00 3.22 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 10 V 7.91 4.60 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 0.74 0.00 0.00 0.90 0.00 0.00 11 M 8.61 4.94 0.00 1.68 1.33 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.40 0.00 12 V 8.72 4.34 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 1.03 0.00 0.00 1.12 0.00 0.00 13 K 8.67 4.48 0.00 2.15 1.74 0.00 1.97 0.00 0.00 2.07 0.00 0.00 3.09 0.00 0.00 3.23 0.00 0.00 0.00 0.00 1.56 1.53 7.81 14 P 0.00 4.47 0.00 1.81 2.06 0.00 2.93 0.00 0.00 3.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.82 0.00 15 D 8.47 4.60 0.00 2.99 3.16 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 16 G 8.22 3.77 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 0.00 0.00 0.00 17 V 7.96 3.64 2.33 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 1.21 0.00 0.00 1.10 0.00 0.00 18 Q 8.18 4.10 0.00 2.22 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.85 0.00 0.00 0.00 0.00 0.00 2.44 2.64 0.00 19 R 7.94 4.29 0.00 1.89 1.95 0.00 3.28 0.00 0.00 3.28 7.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.67 0.00 20 G 7.89 3.77 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 0.00 0.00 0.00 21 L 7.68 4.49 0.00 1.74 1.40 0.69 0.32 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 22 I 7.68 3.81 1.75 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 1.66 0.72 0.67 0.00 0.00 23 G 7.99 3.67 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 0.00 0.00 0.00 24 D 8.00 4.39 0.00 2.56 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 25 I 7.80 3.75 2.04 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 1.43 0.75 0.92 0.00 0.00 26 V 8.07 3.81 2.38 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 1.61 0.00 0.00 1.36 0.00 0.00 27 T 8.27 3.91 4.56 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 1.25 0.00 0.00 28 R 7.74 3.62 0.00 1.96 1.96 0.00 3.19 0.00 0.00 3.19 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.75 0.00 29 L 7.41 3.76 0.00 1.11 0.14 -0.43 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 30 E 8.52 4.43 0.00 2.31 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 0.00 2.72 3.01 0.00 31 T 8.64 3.91 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 1.21 0.00 0.00 32 K 7.36 4.18 0.00 1.69 1.88 0.00 1.61 0.00 0.00 1.66 0.00 0.00 3.16 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.41 1.46 7.81 33 G 7.79 4.05 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 0.00 0.00 0.00 34 L 7.36 4.38 0.00 1.70 1.92 0.71 0.87 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 35 K 9.14 4.55 0.00 1.70 1.72 0.00 0.61 0.00 0.00 0.98 0.00 0.00 2.52 0.00 0.00 2.33 0.00 0.00 0.00 0.00 0.82 0.48 7.81 36 M 8.69 3.34 0.00 1.86 1.10 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 2.17 0.00 37 V 8.83 4.60 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 0.71 0.00 0.00 0.84 0.00 0.00 38 G 7.52 4.08 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 0.00 0.00 0.00 39 G 8.63 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 0.00 0.00 0.00 0.00 40 K 8.55 4.55 0.00 1.78 1.49 0.00 1.26 0.00 0.00 1.37 0.00 0.00 2.13 0.00 0.00 2.43 0.00 0.00 0.00 0.00 1.27 1.32 7.81 41 F 9.33 5.42 0.00 3.27 3.09 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 42 M 8.24 4.43 0.00 2.03 2.03 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 2.38 2.56 0.00 43 R 8.55 4.69 0.00 1.77 1.80 0.00 3.19 0.00 0.00 3.19 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.57 0.00 44 I 8.14 4.25 2.02 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.75 0.88 0.00 0.00 45 D 8.19 4.73 0.00 2.91 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 46 E 8.64 3.91 0.00 2.06 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 0.00 2.41 2.41 0.00 47 E 8.46 3.77 0.00 2.11 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 2.40 2.42 0.00 48 L 8.61 3.78 0.00 1.58 1.61 0.22 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 49 A 7.96 4.05 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 50 H 8.33 4.39 0.00 3.42 3.51 0.00 5.85 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 51 E 8.10 4.17 0.00 2.19 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 2.34 2.31 0.00 52 H 8.45 4.31 0.00 3.01 3.13 0.00 5.90 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 53 Y 8.11 4.97 0.00 3.32 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 54 A 8.17 4.35 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 55 E 8.20 4.19 0.00 2.07 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 0.00 2.25 2.00 0.00 56 H 8.31 4.82 0.00 3.64 3.34 0.00 5.63 0.00 0.00 0.00 0.00 6.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 E 7.20 2.68 0.00 1.88 1.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 1.73 0.00 58 D 8.07 4.47 0.00 2.74 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 59 K 7.25 4.04 0.00 1.33 1.06 0.00 1.91 0.00 0.00 1.79 0.00 0.00 3.06 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.37 1.41 7.81 60 P 0.00 4.27 0.00 2.16 2.19 0.00 3.67 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.12 0.00 61 F 7.31 4.74 0.00 3.22 3.26 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 62 F 7.89 3.93 0.00 3.12 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 63 D 8.25 4.30 0.00 2.77 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 64 G 8.11 3.71 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 0.00 0.00 0.00 65 L 8.45 3.97 0.00 1.89 1.68 0.81 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 66 V 7.37 3.45 1.68 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 0.66 0.00 0.00 0.13 0.00 0.00 67 S 8.13 4.27 0.00 4.17 3.96 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 0.00 0.00 0.00 68 F 8.65 4.37 0.00 3.07 3.33 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 69 I 7.68 3.54 1.97 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.72 1.12 0.00 0.00 70 T 7.24 4.49 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 1.29 0.00 0.00 71 S 7.70 4.58 0.00 4.11 4.19 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 72 G 6.58 3.94 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 P 0.00 4.40 0.00 1.30 1.92 0.00 3.63 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.02 0.00 74 V 8.14 4.40 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 0.97 0.00 0.00 0.89 0.00 0.00 75 F 8.79 5.44 0.00 3.30 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 76 A 9.24 4.61 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 77 M 8.46 5.18 0.00 1.83 2.07 0.00 0.00 0.00 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 1.50 0.00 78 V 8.18 4.87 1.67 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 0.94 0.00 0.00 0.35 0.00 0.00 79 W 9.52 5.27 0.00 3.27 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 80 E 10.62 5.10 0.00 1.94 1.67 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 2.13 2.47 0.00 81 G 7.78 4.14 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 A 8.15 3.97 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 83 D 9.14 4.61 0.00 2.90 2.69 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 84 A 8.02 4.06 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 85 T 7.77 3.91 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 1.35 0.00 0.00 86 R 7.89 3.75 0.00 1.75 2.14 0.00 3.10 0.00 0.00 3.26 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.32 0.00 87 Q 8.23 3.97 0.00 2.22 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.59 0.00 0.00 0.00 0.00 0.00 2.58 2.63 0.00 88 V 8.14 3.50 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 1.03 0.00 0.00 0.86 0.00 0.00 89 R 7.75 3.92 0.00 2.02 2.00 0.00 3.36 0.00 0.00 3.42 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.96 0.00 90 Q 8.00 4.00 0.00 2.14 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.95 0.00 0.00 0.00 0.00 0.00 2.36 2.48 0.00 91 L 7.93 4.10 0.00 1.98 1.64 0.87 0.80 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 92 M 8.26 4.06 0.00 2.04 2.25 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.72 2.54 0.00 93 G 7.67 4.14 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 A 8.10 4.22 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 95 T 8.34 3.91 4.20 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 1.23 0.00 0.00 96 D 7.96 4.36 0.00 2.65 2.59 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 97 A 8.30 4.07 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 98 Q 8.30 4.06 0.00 2.03 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.52 6.81 0.00 0.00 0.00 0.00 0.00 2.47 2.55 0.00 99 D 8.15 4.68 0.00 2.76 2.68 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 0.00 100 A 7.41 4.30 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 0.00 101 A 8.49 4.21 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 0.00 102 P 0.00 4.43 0.00 1.91 1.95 0.00 3.67 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.06 0.00 103 G 10.00 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 0.00 104 T 7.31 4.53 4.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 105 I 8.21 3.79 1.92 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 1.62 0.70 1.07 0.00 0.00 106 R 8.36 4.08 0.00 2.01 1.99 0.00 3.27 0.00 0.00 3.33 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.69 0.00 107 G 8.09 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 0.00 0.00 0.00 108 D 8.17 4.33 0.00 2.10 1.90 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 0.00 109 Y 8.13 4.81 0.00 3.14 2.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 G 8.18 4.32 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 0.00 111 N 8.40 5.03 0.00 2.61 2.72 0.00 0.00 6.74 8.47 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 0.00 112 D 7.74 4.63 0.00 2.68 2.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 L 8.45 3.98 0.00 1.54 1.56 0.80 0.87 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 0.00 114 G 8.04 3.49 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 0.00 0.00 0.00 115 H 7.50 4.21 0.00 2.90 3.29 0.00 5.62 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 0.00 116 N 8.01 4.98 0.00 2.84 3.12 0.00 0.00 6.19 6.67 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 0.00 117 L 9.50 4.06 0.00 2.01 1.94 1.02 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 0.00 0.00 0.00 0.00 0.00 0.00 118 I 7.45 4.81 1.91 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 0.64 1.01 0.00 0.00 119 H 9.02 5.00 0.00 3.44 3.10 0.00 5.77 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 0.00 120 G 8.37 4.45 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 0.00 121 S 8.53 4.77 0.00 3.90 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 0.00 122 D 8.81 4.51 0.00 2.72 2.60 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 0.00 123 H 8.98 4.33 0.00 3.33 3.50 0.00 5.56 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 0.00 124 E 8.33 4.34 0.00 1.98 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 2.02 0.00 125 D 7.85 4.75 0.00 2.71 2.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 126 E 8.65 4.17 0.00 2.03 1.74 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 2.23 1.88 0.00 127 G 9.05 4.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 A 7.72 4.13 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 0.00 129 N 8.38 4.43 0.00 3.19 3.09 0.00 0.00 6.74 7.66 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 0.00 130 E 9.84 4.03 0.00 1.89 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 2.36 2.48 0.00 131 R 8.61 3.88 0.00 1.93 2.11 0.00 3.09 0.00 0.00 3.18 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.68 0.00 132 E 8.33 4.02 0.00 2.00 1.54 0.00 0.00 0.00 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 2.62 0.00 133 I 7.92 3.80 1.92 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 1.60 0.95 0.94 0.00 0.00 134 A 7.70 4.21 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 0.00 135 L 7.59 3.95 0.00 1.87 1.49 0.88 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 136 F 7.99 4.20 0.00 2.99 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 0.00 137 F 8.19 4.98 0.00 3.15 2.96 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 0.00 0.00 0.00 138 D 8.90 4.61 0.00 2.87 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 0.00 139 D 9.00 4.42 0.00 2.72 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 0.00 140 D 8.17 4.54 0.00 2.66 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 0.00 141 E 8.32 4.68 0.00 2.30 2.15 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 2.30 2.32 0.00 142 L 7.62 4.76 0.00 1.71 1.55 0.91 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 143 V 8.40 4.52 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 0.75 0.00 0.00 0.89 0.00 0.00 144 D 8.49 5.20 0.00 2.65 2.61 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 0.00 145 W 8.15 4.52 0.00 3.48 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 0.00 146 D 8.76 4.49 0.00 2.68 2.58 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 0.00 147 R 7.71 4.07 0.00 1.13 1.66 0.00 3.38 0.00 0.00 3.46 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.47 0.00 148 D 8.86 4.52 0.00 2.85 2.79 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 0.00 149 A 8.09 4.36 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 0.00 150 S 8.12 4.38 0.00 4.18 4.05 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 0.00 151 A 7.58 4.03 1.11 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 0.00 0.00 152 W 8.37 4.69 0.00 3.36 3.21 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 0.00 153 V 7.70 3.67 1.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.28 0.00 0.00 0.88 0.00 0.00 154 Y 6.99 4.88 0.00 3.03 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 0.00 155 E 8.92 4.14 0.00 1.99 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 0.00 2.33 2.34 0.00 * Residues marked with a * may have inaccurate shift predictions.