NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 T 4.3656 8.1749 117.3769 63.2142 70.0815 173.3829 3 K 4.2712 8.4530 125.8490 55.8085 33.9140 174.8912 4 K 5.1881 9.8186 126.7651 53.4033 35.7188 175.0144 5 V 4.7476 8.6419 124.7138 60.1817 34.2209 173.9712 6 L 4.8517 8.8658 130.8428 54.1928 43.5205 174.9917 7 I 4.7850 9.0595 128.4599 59.9662 39.2470 175.0054 8 V 4.6527 8.9793 128.3424 61.5449 33.1667 173.8538 9 E 4.9910 9.0450 129.1288 55.2255 32.7437 175.6072 10 D 4.3687 8.9788 126.7255 55.3478 40.4762 176.5733 11 N 4.5165 8.5348 119.7459 52.5338 39.9417 174.8055 12 E 3.8521 8.7791 128.5526 59.5059 29.8175 178.7527 13 L 3.8921 7.8243 118.2870 57.9138 41.7125 179.1705 14 N 3.7485 8.2138 116.3742 56.0717 38.3028 177.1040 15 M 3.8693 7.9000 119.7124 58.6333 32.2281 178.5002 16 K 3.9628 8.0350 118.5959 59.1750 32.1497 179.1361 17 L 3.8747 7.6682 120.6010 58.1876 42.0405 179.0401 18 F 4.3608 7.9189 117.7870 60.8434 38.8174 177.1342 19 H 4.2434 8.5936 117.9154 59.4571 29.7315 176.9425 20 D 4.2997 8.3709 120.8465 57.4178 40.4514 178.9010 21 L 4.0062 7.8796 118.1015 57.8748 41.9475 179.3524 22 L 4.1556 8.2250 118.9588 57.7716 41.5865 179.1758 23 E 4.2662 8.8737 120.8564 58.6064 29.3246 178.6087 24 A 4.0286 7.7954 119.7207 54.2397 18.4957 178.5139 25 Q 4.1171 7.4897 114.7690 55.7204 29.0979 176.5933 26 G 3.9369 7.8665 108.7563 45.2382 0.0000 173.0285 27 Y 4.9526 7.4042 116.7801 56.9879 40.2575 174.4216 28 E 4.8337 8.9178 121.2937 55.3957 31.9833 175.3190 29 T 5.2760 8.4859 111.3341 60.0036 72.2917 172.9084 30 L 4.9678 8.9424 122.5731 53.1951 45.2197 175.5755 31 Q 5.1158 8.5101 120.1887 54.7262 32.6100 174.3838 32 T 4.6526 8.7590 115.9783 61.4900 71.0156 174.1921 33 R 4.6949 8.6667 123.5280 55.7408 31.3531 176.8300 34 E 5.0822 7.8386 118.0262 53.7124 33.3163 176.9200 35 G 3.6744 9.1152 110.3395 48.1089 0.0000 176.2529 36 L 3.9779 7.9133 121.3216 57.6187 41.6400 179.7270 37 S 4.1176 8.0879 114.3304 61.2754 62.7026 176.3047 38 A 4.0257 7.9148 123.7400 55.1176 18.0528 179.6852 39 L 3.9114 7.6427 117.0594 58.0115 41.7974 179.9048 40 S 4.0782 7.7497 115.1305 61.7731 62.7813 176.9204 41 I 3.7374 8.1848 122.6374 64.2170 36.7358 178.3742 42 A 4.0070 8.2717 121.9175 55.1947 17.9489 179.9606 43 R 3.8803 7.6299 115.4563 59.2844 30.2687 178.5444 44 E 4.1104 8.0574 117.9692 58.1955 29.7376 177.4119 45 N 4.9029 8.3153 116.1120 51.6908 41.8403 174.9605 46 K 3.8661 8.0970 121.0532 54.7900 29.1026 178.0758 47 P 4.5728 0.0000 0.0000 62.8946 32.5101 176.9544 48 D 4.6366 8.7860 118.7335 55.8473 41.5915 176.6501 49 L 4.6590 7.5496 118.7664 53.8182 45.9590 173.7122 50 I 4.8271 8.6852 125.3033 59.4556 40.4833 174.2699 51 L 4.9479 9.0721 130.3845 53.8091 43.2000 174.4796 52 M 5.2723 8.9311 126.7085 53.2452 35.8736 173.9524 53 D 4.9000 8.9864 125.8808 54.6402 41.3649 176.1411 54 I 3.9127 8.6983 128.1829 63.4731 38.4362 177.1125 55 Q 4.6761 7.8608 121.7101 55.4874 27.1927 175.8146 56 L 4.3635 7.5916 118.2192 53.8793 42.8007 177.2844 57 P 4.5710 0.0000 0.0000 65.1234 31.4828 177.0894 58 E 4.4223 7.9953 114.7897 56.7715 30.7068 175.3833 59 I 4.4047 6.8394 116.3946 59.6728 41.5943 173.5203 60 S 4.4815 8.5502 120.3271 57.7054 63.1174 175.5150 61 G 3.7440 8.8893 114.5574 47.7652 0.0000 175.9435 62 L 4.0811 7.8086 120.9863 57.6291 41.5644 179.2497 63 E 3.8701 8.0015 118.5035 59.0692 29.3501 179.4270 64 V 3.9549 7.7636 118.0321 66.4079 31.6667 178.0949 65 T 4.0441 8.3207 118.0088 66.9486 68.3204 177.5002 66 K 3.9841 7.8414 125.4642 59.5979 31.5193 182.3558 67 W 4.6425 7.7460 118.9376 59.5241 29.3617 178.3306 68 L 4.2177 8.1688 118.9248 57.9576 40.9615 179.8073 69 K 4.1595 8.1408 116.4225 58.7087 32.0528 178.4985 70 E 4.3506 7.9026 116.9966 56.1212 29.9963 175.5923 71 D 4.7977 7.4820 120.2543 52.3101 42.1302 176.8310 72 D 4.3320 8.9583 129.0131 56.6498 39.5163 177.5476 73 D 4.7063 8.4883 117.2146 53.6289 40.5106 181.1282 74 L 4.6810 7.6798 115.0986 55.3150 43.9312 178.1665 75 A 4.0652 8.2021 121.7950 55.3035 18.3030 178.4589 76 H 4.3887 8.1705 109.6106 57.6255 29.1437 175.5092 77 I 3.8847 7.2037 122.5898 60.1997 37.3039 174.4028 78 P 4.3693 0.0000 0.0000 62.8453 32.7315 175.2172 79 V 4.7257 8.3731 122.2446 61.1229 34.3376 173.8958 80 V 4.7003 8.8644 128.2873 61.0855 33.4930 174.3807 81 A 4.8152 8.7759 130.3971 51.4315 20.5004 175.9479 82 V 4.8496 8.7669 124.0767 61.1119 33.9492 174.1528 83 T 5.2151 9.0990 126.6424 61.3295 71.5011 172.6791 *90 D 4.5149 9.3077 121.7385 55.2570 42.2034 177.5004 91 E 4.1405 8.3908 121.1497 61.7306 29.4482 181.9518 92 E 4.2260 8.1885 121.0386 61.6342 30.0074 181.6064 93 R 4.1310 7.9370 121.5565 61.3055 29.6020 180.5286 94 I 3.9512 8.4252 123.6546 64.8193 37.1186 179.3872 95 R 4.1603 7.9663 123.2532 62.3035 29.1145 181.2554 96 E 4.3935 8.2705 118.0064 60.3944 29.7167 180.7971 97 G 3.9633 7.9275 103.3454 45.9645 0.0000 174.1640 98 G 4.0298 7.5046 106.8733 45.5025 0.0000 173.9950 99 C 4.5005 7.7633 118.1307 59.3747 28.8744 173.8247 100 E 4.2552 8.8506 123.6164 59.2567 29.9715 176.3010 101 A 4.6747 7.7490 121.5062 51.8889 23.1180 175.0768 *102 Y 5.2444 8.2266 117.7739 56.0517 41.2327 172.9062 103 I 4.8110 8.9889 122.7355 59.3791 41.2835 174.9045 104 S 5.8772 8.8907 123.2660 56.8395 65.9153 173.5043 105 K 5.1881 8.3771 124.0863 52.3597 34.4912 175.3578 106 P 4.2856 0.0000 0.0000 62.5185 31.5649 176.2632 107 I 4.5660 8.1524 115.6359 59.8213 38.7593 175.5599 108 S 4.5492 8.4692 116.8384 57.1057 63.5961 174.8931 109 V 3.6156 8.4468 128.8510 66.3445 31.3100 178.1238 110 V 3.6289 7.7773 117.3413 66.1873 31.5073 177.2605 111 H 4.1841 8.1129 118.1966 59.1216 29.6955 176.8913 112 F 4.0335 8.6107 122.6963 61.4760 39.2157 177.1384 113 L 3.8846 8.3637 118.6215 57.6343 41.4304 179.1313 114 E 3.9049 8.5847 119.7119 59.5293 29.0930 179.0085 115 T 3.7618 7.7941 115.6242 66.6290 68.4750 176.7146 116 I 3.5652 7.3291 121.4835 64.3502 37.1283 178.6558 117 K 4.0762 8.4560 122.1431 60.2299 31.6339 180.2494 118 R 4.0005 7.8810 119.9489 61.2818 29.3224 180.5707 119 L 4.3765 7.3551 116.9693 57.1658 41.8612 178.8375 120 L 4.1956 7.8853 118.0300 55.9052 43.2597 177.7162 121 E 4.4246 8.4200 122.3628 55.3476 28.0257 175.8063 122 R 4.7118 7.4892 120.0638 54.3392 33.9435 177.3642 123 Q 4.3342 8.3488 116.6838 54.3955 28.9591 175.7899 124 P 4.4840 0.0000 0.0000 63.5409 31.3251 176.7246 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 2 T 8.17 4.37 4.27 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 1.33 0.00 0.00 3 K 8.45 4.27 0.00 1.35 1.51 0.00 1.40 0.00 0.00 1.63 0.00 0.00 2.87 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.41 1.39 7.81 4 K 9.82 5.19 0.00 1.36 1.63 0.00 1.76 0.00 0.00 1.57 0.00 0.00 2.70 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.25 1.21 7.81 5 V 8.64 4.75 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 1.05 0.00 0.00 0.90 0.00 0.00 6 L 8.87 4.85 0.00 1.81 1.54 0.99 1.19 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 7 I 9.06 4.79 2.00 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 1.29 0.65 1.20 0.00 0.00 8 V 8.98 4.65 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.98 0.00 0.00 9 E 9.04 4.99 0.00 2.28 1.82 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 2.15 2.40 0.00 10 D 8.98 4.37 0.00 2.81 2.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 N 8.53 4.52 0.00 2.76 2.79 0.00 0.00 6.66 7.26 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 12 E 8.78 3.85 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 2.34 2.38 0.00 13 L 7.82 3.89 0.00 1.84 1.60 0.88 0.66 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 14 N 8.21 3.75 0.00 2.55 2.02 0.00 0.00 6.69 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 15 M 7.90 3.87 0.00 2.18 2.01 0.00 0.00 0.00 0.00 0.00 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.62 0.00 16 K 8.04 3.96 0.00 1.96 1.81 0.00 1.68 0.00 0.00 1.54 0.00 0.00 2.88 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.44 1.51 7.81 17 L 7.67 3.87 0.00 1.62 1.49 0.87 0.97 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 18 F 7.92 4.36 0.00 3.26 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 19 H 8.59 4.24 0.00 3.32 3.57 0.00 5.79 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 20 D 8.37 4.30 0.00 2.94 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 L 7.88 4.01 0.00 1.88 1.89 0.67 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 22 L 8.23 4.16 0.00 1.88 1.91 1.15 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 23 E 8.87 4.27 0.00 1.89 1.86 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 2.28 2.18 0.00 24 A 7.80 4.03 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 25 Q 7.49 4.12 0.00 1.29 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 5.68 0.00 0.00 0.00 0.00 0.00 2.38 2.27 0.00 26 G 7.87 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 27 Y 7.40 4.95 0.00 3.04 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 28 E 8.92 4.83 0.00 1.98 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 2.31 2.30 0.00 29 T 8.49 5.28 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 1.35 0.00 0.00 30 L 8.94 4.97 0.00 1.59 1.58 0.93 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 31 Q 8.51 5.12 0.00 1.89 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.57 6.71 0.00 0.00 0.00 0.00 0.00 2.30 2.37 0.00 32 T 8.76 4.65 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 1.31 0.00 0.00 33 R 8.67 4.69 0.00 1.84 1.96 0.00 3.25 0.00 0.00 2.25 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.60 0.00 34 E 7.84 5.08 0.00 1.97 1.82 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 2.22 2.29 0.00 35 G 9.12 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 36 L 7.91 3.98 0.00 1.69 1.66 0.92 0.80 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 37 S 8.09 4.12 0.00 3.99 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 38 A 7.91 4.03 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 39 L 7.64 3.91 0.00 1.76 1.62 0.74 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 40 S 7.75 4.08 0.00 3.92 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 41 I 8.18 3.74 1.99 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 1.45 0.76 0.92 0.00 0.00 42 A 8.27 4.01 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 43 R 7.63 3.88 0.00 1.89 1.98 0.00 3.12 0.00 0.00 3.13 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.80 0.00 44 E 8.06 4.11 0.00 1.97 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 2.31 2.38 0.00 45 N 8.32 4.90 0.00 2.80 2.81 0.00 0.00 7.00 7.20 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 46 K 8.10 3.87 0.00 1.89 1.67 0.00 1.81 0.00 0.00 1.75 0.00 0.00 2.96 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.30 1.23 7.81 47 P 0.00 4.57 0.00 2.31 2.08 0.00 3.82 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.98 0.00 48 D 8.79 4.64 0.00 2.51 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 49 L 7.55 4.66 0.00 1.58 1.35 0.81 0.86 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 50 I 8.69 4.83 1.86 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 1.11 0.49 0.93 0.00 0.00 51 L 9.07 4.95 0.00 1.72 1.61 0.87 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 52 M 8.93 5.27 0.00 2.10 1.87 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 2.53 2.49 0.00 53 D 8.99 4.90 0.00 2.98 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 54 I 8.70 3.91 1.90 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 1.40 0.83 0.92 0.00 0.00 55 Q 7.86 4.68 0.00 2.30 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.10 7.07 0.00 0.00 0.00 0.00 0.00 2.44 2.45 0.00 56 L 7.59 4.36 0.00 2.03 1.80 0.97 1.08 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 57 P 0.00 4.57 0.00 2.19 2.19 0.00 3.77 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.97 0.00 58 E 8.00 4.42 0.00 2.12 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 0.00 2.25 2.25 0.00 59 I 6.84 4.40 1.95 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.62 0.99 0.00 0.00 60 S 8.55 4.48 0.00 3.89 3.69 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 61 G 8.89 3.74 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 0.00 0.00 0.00 62 L 7.81 4.08 0.00 1.66 1.70 0.91 1.31 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 63 E 8.00 3.87 0.00 2.10 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 2.19 2.23 0.00 64 V 7.76 3.95 2.32 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 1.26 0.00 0.00 1.12 0.00 0.00 65 T 8.32 4.04 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 1.25 0.00 0.00 66 K 7.84 3.98 0.00 1.80 1.82 0.00 1.82 0.00 0.00 1.65 0.00 0.00 2.88 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.37 1.35 7.81 67 W 7.75 4.64 0.00 3.60 3.07 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 68 L 8.17 4.22 0.00 1.97 1.75 0.96 0.69 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 69 K 8.14 4.16 0.00 1.74 1.89 0.00 1.72 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 3.21 0.00 0.00 0.00 0.00 1.72 1.63 7.81 70 E 7.90 4.35 0.00 2.27 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 2.35 2.43 0.00 71 D 7.48 4.80 0.00 2.83 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 72 D 8.96 4.33 0.00 2.81 2.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 D 8.49 4.71 0.00 2.71 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 74 L 7.68 4.68 0.00 1.85 1.68 0.92 0.92 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 75 A 8.20 4.07 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 H 8.17 4.39 0.00 3.29 3.44 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 77 I 7.20 3.88 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 1.06 0.20 0.90 0.00 0.00 78 P 0.00 4.37 0.00 2.06 2.14 0.00 3.71 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.91 0.00 79 V 8.37 4.73 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 1.05 0.00 0.00 0.98 0.00 0.00 80 V 8.86 4.70 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.00 0.00 0.83 0.00 0.00 81 A 8.78 4.82 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 82 V 8.77 4.85 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 1.10 0.00 0.00 0.90 0.00 0.00 83 T 9.10 5.22 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 1.21 0.00 0.00 *90 D 9.31 4.51 0.00 2.62 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 91 E 8.39 4.14 0.00 1.96 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 2.32 1.97 0.00 92 E 8.19 4.23 0.00 1.97 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 2.31 1.94 0.00 93 R 7.94 4.13 0.00 1.81 1.97 0.00 3.23 0.00 0.00 3.34 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.30 0.00 94 I 8.43 3.95 2.00 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 1.39 0.84 0.91 0.00 0.00 95 R 7.97 4.16 0.00 1.85 1.94 0.00 3.27 0.00 0.00 3.20 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.52 0.00 96 E 8.27 4.39 0.00 2.05 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 2.26 2.20 0.00 97 G 7.93 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 0.00 0.00 0.00 98 G 7.50 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 C 7.76 4.50 0.00 3.14 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 0.00 100 E 8.85 4.26 0.00 1.80 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.29 0.00 101 A 7.75 4.67 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 *102 Y 8.23 5.24 0.00 2.04 1.99 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.99 4.81 1.93 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 1.29 0.64 1.09 0.00 0.00 104 S 8.89 5.88 0.00 3.91 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 K 8.38 5.19 0.00 1.53 1.59 0.00 1.82 0.00 0.00 1.76 0.00 0.00 2.94 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.25 0.96 7.81 106 P 0.00 4.29 0.00 2.18 2.12 0.00 3.74 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.97 0.00 107 I 8.15 4.57 1.92 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 1.24 1.84 1.06 0.00 0.00 108 S 8.47 4.55 0.00 3.94 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 0.00 109 V 8.45 3.62 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.93 0.00 0.00 110 V 7.78 3.63 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 1.07 0.00 0.00 0.96 0.00 0.00 111 H 8.11 4.18 0.00 3.26 3.50 0.00 5.84 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 0.00 112 F 8.61 4.03 0.00 3.09 3.27 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 0.00 113 L 8.36 3.88 0.00 1.79 1.72 0.98 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 114 E 8.58 3.90 0.00 2.08 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 2.29 2.35 0.00 115 T 7.79 3.76 4.16 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 1.07 0.00 0.00 116 I 7.33 3.57 1.70 0.00 0.00 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.01 0.84 0.00 0.00 117 K 8.46 4.08 0.00 1.81 1.90 0.00 1.67 0.00 0.00 1.74 0.00 0.00 2.98 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.61 1.67 7.81 118 R 7.88 4.00 0.00 1.92 1.85 0.00 3.26 0.00 0.00 3.22 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.55 0.00 119 L 7.36 4.38 0.00 1.71 1.68 0.84 0.92 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 0.00 120 L 7.89 4.20 0.00 1.54 1.48 0.45 0.56 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 0.00 121 E 8.42 4.42 0.00 2.01 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 2.40 2.47 0.00 122 R 7.49 4.71 0.00 1.77 1.64 0.00 3.27 0.00 0.00 3.26 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.15 0.00 123 Q 8.35 4.33 0.00 2.07 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 7.04 0.00 0.00 0.00 0.00 0.00 2.28 1.95 0.00 124 P 0.00 4.48 0.00 2.02 1.98 0.00 3.67 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 2.02 2.07 0.00 * Residues marked with a * may have inaccurate shift predictions.