NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 54 R 4.3096 8.2544 117.2797 55.7800 30.9801 173.3226 55 K 4.6576 7.8222 117.6928 54.2003 35.3818 170.6449 56 V 4.8121 10.2370 128.5011 61.2436 34.4705 173.9147 57 I 5.0414 8.8657 127.8557 59.5227 41.1350 174.1930 58 L 5.2141 8.6521 124.4764 53.1506 44.3757 174.8134 59 Y 5.2430 8.8135 124.1127 55.6968 41.5191 174.4576 60 A 4.5771 7.9996 127.5296 49.9644 22.1578 174.7028 61 R 5.0217 8.3468 121.3967 53.3786 33.6228 174.6513 62 V 4.6260 8.0967 116.8121 59.6731 35.4584 176.6731 63 S 4.6899 8.1977 116.0591 60.3957 64.0928 174.8490 64 S 4.5625 7.8479 114.6030 56.6278 63.0682 175.0397 65 S 4.2555 8.5900 121.4714 61.1651 62.9962 175.5627 66 T 4.0620 7.7574 110.3970 63.5544 68.7483 175.0321 67 Q 4.6738 7.7035 121.1491 55.5312 29.4193 177.7947 68 K 4.0094 8.1696 121.2027 59.3748 31.9712 178.5996 69 D 4.3687 8.0592 119.3163 56.5521 39.1044 178.2347 70 D 4.3684 7.9133 120.4000 56.8878 40.6831 178.4426 71 L 3.9515 7.7326 120.4107 58.3123 42.1871 179.3208 72 V 3.4335 7.5490 112.4053 64.5367 31.3211 178.3818 73 N 4.3839 8.2354 116.2885 56.1146 38.1861 177.3160 74 Q 3.9950 9.5477 121.2730 59.1745 29.1385 178.4287 75 V 3.5522 8.5864 122.7273 66.3952 31.5098 178.7953 76 K 3.9611 8.1925 123.5600 59.8833 31.4987 180.5325 77 Y 4.4430 7.7974 121.1487 60.5536 38.6350 178.2770 78 L 3.5806 7.5332 119.9188 57.6631 41.4812 179.3827 79 E 3.3655 7.9686 117.5721 59.2132 29.4401 179.0449 80 E 4.1306 8.4421 117.5189 59.4607 29.6439 179.1803 81 Q 4.2526 8.0200 116.9854 58.1102 29.7909 178.0827 82 V 3.9635 7.4818 125.0078 61.7055 30.0034 175.9961 83 K 4.1667 8.4517 129.0538 57.4592 32.5859 178.2008 84 E 4.4607 7.9781 116.0087 55.0286 28.3933 178.9814 85 Y 4.8844 7.2893 118.6651 55.0948 40.6647 176.3214 86 D 4.4323 8.9083 124.8792 57.2046 41.6775 176.1192 87 Q 4.7659 8.2194 117.1721 55.0810 33.2552 173.2200 88 V 5.0094 8.3928 122.0213 61.1739 34.4303 174.5010 89 I 4.8481 8.9494 128.5003 59.7261 40.5897 174.6963 90 T 5.2620 8.3450 114.3757 59.0757 72.6175 172.2100 91 D 5.0504 8.2568 120.3568 52.9035 45.9063 174.2312 92 I 4.5810 9.8161 122.2047 59.1640 39.3035 175.7639 93 G 4.2473 8.3223 115.5732 43.6527 0.0000 171.5704 94 S 4.5596 7.9608 114.5071 57.5489 62.9966 175.0646 95 G 3.6463 8.5217 113.0751 48.5016 0.0000 175.1477 96 L 4.0234 8.9001 119.8676 56.4821 41.7984 176.5400 97 N 4.5877 7.6416 117.7544 52.8792 38.2497 174.4700 98 M 4.2677 8.5200 124.9994 56.1613 32.5303 177.0811 99 K 4.4556 8.5136 118.4862 56.2857 32.4901 177.4130 100 R 4.1283 7.8053 120.3474 55.7887 31.2279 177.1379 101 K 4.0781 8.8686 125.0384 59.5279 32.3888 179.0714 102 G 3.8270 8.4651 106.8383 47.2624 0.0000 175.2735 103 F 3.9672 9.6042 124.4652 60.8584 39.4419 177.1795 104 L 3.8892 8.4089 119.0256 57.5895 41.4444 179.4386 105 K 3.8819 7.9168 119.2887 59.4483 32.0590 178.6187 106 L 3.8660 7.7688 120.6414 57.9405 41.9762 178.6835 107 L 3.6710 7.5303 120.2947 58.0353 41.9529 179.2067 108 R 3.8435 7.9164 118.0186 59.4335 29.8931 178.8788 109 M 4.3166 7.9071 119.7896 57.8672 31.9156 178.8926 110 I 3.6304 7.4115 119.6461 64.4478 37.0844 178.5942 111 L 3.6753 7.5287 118.2482 56.8980 41.4298 178.0081 112 N 4.6274 7.7332 114.6949 52.4514 39.1984 174.0280 113 N 4.2292 7.8164 114.7414 55.2884 36.2204 174.6042 114 E 4.4186 8.4350 116.1423 56.3411 30.1789 176.3823 115 V 4.8461 7.4005 118.1632 61.0125 34.8976 174.6310 116 S 4.9913 8.8206 119.3940 58.3526 65.8126 173.9119 117 R 5.1660 7.7476 119.1598 54.7256 33.7659 173.7380 118 V 4.8361 9.1924 125.8698 61.0885 34.4242 174.1717 119 V 5.0329 8.7043 127.5124 61.3131 34.3385 174.3972 120 V 4.7200 9.0711 125.9738 61.0305 35.1759 175.8783 121 A 4.0266 8.4294 127.1886 54.8336 19.1895 176.9148 122 Y 5.2306 7.1072 109.3938 54.8502 41.1785 172.3809 123 P 4.3352 0.0000 0.0000 63.9562 31.9601 176.9314 124 D 5.1568 8.5421 117.0287 55.4626 38.4176 175.8989 125 R 4.1691 7.6943 117.5939 59.5436 30.2273 178.3089 126 L 4.3081 8.1649 115.8577 57.2625 41.8882 177.5942 127 V 4.6421 7.4258 110.4153 59.4857 35.7444 176.3185 128 R 3.7154 8.6831 123.3109 58.4694 30.3689 176.6820 129 F 5.0425 7.7278 114.7565 56.3078 42.5015 174.6349 130 G 4.3130 9.0004 108.4527 46.8132 0.0000 175.9770 131 F 4.1951 7.8206 120.9756 60.8541 39.2792 175.8253 132 E 4.0269 8.3688 118.0681 59.4625 29.4389 179.1196 133 I 3.7341 7.5933 119.3398 64.3496 37.0513 178.4753 134 L 3.9405 7.7204 119.3516 57.7426 41.5224 179.2640 135 E 3.8184 7.5752 118.4824 59.3582 29.2227 179.2299 136 E 3.9771 7.9768 118.4147 59.2138 29.2389 179.6136 137 V 3.5952 7.3012 117.1032 66.1495 31.8444 177.6425 138 C 4.2531 8.2752 116.7802 62.7601 27.7785 175.9625 139 K 3.8855 7.7477 119.4741 59.5296 31.7925 178.3987 140 A 4.1733 7.7648 120.2271 54.2293 18.2271 177.7349 141 H 4.7612 8.1749 113.4551 55.6524 29.4778 175.0366 142 G 3.7948 8.4126 106.7111 45.6011 0.0000 172.5797 143 C 4.7879 7.6793 120.0042 57.3896 32.5540 172.9115 144 E 4.2352 9.3810 129.0374 56.1972 30.6849 175.3452 145 I 5.0524 8.3466 126.3657 59.5385 39.9806 174.9155 146 V 4.5235 9.2694 127.2436 61.0421 34.5816 174.3739 147 V 4.8812 8.2842 120.0756 59.7554 33.1673 175.9559 148 I 4.0747 9.1949 127.7801 63.5639 37.8369 175.8662 149 N 4.4057 9.3041 125.4793 53.7651 45.7800 178.4208 *153 K 4.2762 8.8677 118.3832 54.1672 31.6535 175.7648 154 E 3.9240 8.3448 128.7818 59.1658 29.3174 178.5683 155 E 3.9895 8.0047 118.1582 61.0332 29.9260 181.4077 156 E 4.9944 8.0157 121.5503 58.4736 29.6902 178.4742 157 L 3.8866 7.4281 120.1223 58.2244 42.1946 179.1909 158 V 3.5887 7.4682 117.2531 65.8182 31.3295 177.8377 159 E 3.9403 7.7563 117.5767 59.5972 29.3797 179.0944 160 D 4.3412 8.5254 119.2661 57.2250 40.8520 178.5933 161 L 3.9749 8.2127 121.2977 58.0754 41.9951 179.2049 162 V 3.5862 8.2765 118.5815 66.1891 31.4548 178.2236 163 S 4.1634 8.2438 115.0210 61.5930 62.5562 176.7839 164 I 3.8108 8.3547 122.8978 64.3603 36.8679 178.4762 165 L 3.9531 8.3510 120.2506 57.7570 41.2319 179.7475 166 V 3.6158 7.9279 117.3625 66.0373 31.3329 177.6870 167 S 4.3120 8.3660 112.9049 61.6207 61.7760 176.1886 168 F 4.0175 8.9138 120.8007 60.4292 38.6934 177.5792 169 S 4.4608 8.2995 113.2556 61.3936 62.0686 176.4658 170 G 3.7027 7.9739 107.9054 47.7244 0.0000 175.8704 171 K 4.0003 8.0032 120.3774 59.2458 32.1177 179.2682 172 L 4.0342 7.7083 118.3253 57.9259 41.5161 178.9507 173 Y 3.7139 7.9956 119.2835 60.2824 38.4024 178.3435 174 G 3.4931 7.6013 105.9142 48.1088 0.0000 175.3778 175 M 4.0965 7.9359 119.0766 55.1021 32.5929 176.1094 176 R 3.4801 7.5352 118.5753 56.9643 29.3272 176.1651 177 S 4.3948 8.2763 112.0188 58.2903 63.5176 174.1927 178 H 4.5721 9.2198 121.6206 57.6640 28.6357 177.5420 179 K 4.0602 7.9741 121.2290 58.9405 31.9019 178.0889 180 Y 4.3389 8.1194 122.7279 61.3436 38.6772 178.5237 181 E 3.8540 7.9291 118.4937 61.1022 29.9224 181.3213 182 K 4.1737 7.9775 119.2464 59.2064 32.1705 179.5348 183 V 3.5774 7.7340 118.4030 65.6423 31.4498 177.9290 184 K 3.7884 7.9982 121.9472 59.9194 31.9443 179.4867 185 K 3.9164 7.8711 123.7798 60.1192 31.7374 180.4318 186 C 4.3117 7.9387 119.9917 62.0248 31.2521 176.0851 187 V 3.5589 7.7264 120.1771 65.8469 31.3796 177.8507 188 E 3.9694 8.1832 117.4314 59.5978 29.1204 178.9632 189 E 4.0586 8.6519 118.9353 58.9322 29.5311 178.8377 190 L 4.2139 7.6831 118.3009 57.2389 41.9193 179.1480 191 K 4.1147 8.2702 118.2536 58.9481 32.0042 177.0917 192 N 4.6042 7.5791 120.2456 53.8349 39.0601 174.2877 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 54 R 8.25 4.31 0.00 1.93 2.05 0.00 2.94 0.00 0.00 3.22 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.62 0.00 55 K 7.82 4.66 0.00 1.85 1.85 0.00 1.48 0.00 0.00 1.61 0.00 0.00 2.91 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.32 1.51 7.81 56 V 10.24 4.81 2.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.00 0.00 0.94 0.00 0.00 57 I 8.87 5.04 1.90 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 1.05 0.98 0.00 0.00 58 L 8.65 5.21 0.00 1.52 1.44 0.42 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 59 Y 8.81 5.24 0.00 2.96 2.85 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 60 A 8.00 4.58 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 R 8.35 5.02 0.00 1.66 1.74 0.00 3.30 0.00 0.00 2.25 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.64 0.00 62 V 8.10 4.63 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 nan 0.00 0.00 0.92 0.00 0.00 63 S 8.20 4.69 0.00 3.82 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 0.00 64 S 7.85 4.56 0.00 3.99 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 65 S 8.59 4.26 0.00 4.02 3.99 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 66 T 7.76 4.06 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 67 Q 7.70 4.67 0.00 2.14 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.94 6.83 0.00 0.00 0.00 0.00 0.00 2.26 2.28 0.00 68 K 8.17 4.01 0.00 1.79 1.85 0.00 1.67 0.00 0.00 1.87 0.00 0.00 3.02 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.52 1.49 7.81 69 D 8.06 4.37 0.00 2.86 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 70 D 7.91 4.37 0.00 2.87 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 71 L 7.73 3.95 0.00 1.68 1.80 0.87 0.96 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 72 V 7.55 3.43 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 0.84 0.00 0.00 0.98 0.00 0.00 73 N 8.24 4.38 0.00 2.97 2.87 0.00 0.00 6.64 6.89 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 74 Q 9.55 4.00 0.00 2.21 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.80 0.00 0.00 0.00 0.00 0.00 2.23 2.27 0.00 75 V 8.59 3.55 2.17 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 0.85 0.00 0.00 0.93 0.00 0.00 76 K 8.19 3.96 0.00 1.81 1.80 0.00 1.87 0.00 0.00 1.57 0.00 0.00 2.83 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.37 1.32 7.81 77 Y 7.80 4.44 0.00 2.84 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 78 L 7.53 3.58 0.00 1.69 1.47 0.77 0.74 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 79 E 7.97 3.37 0.00 1.84 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 1.47 1.62 0.00 80 E 8.44 4.13 0.00 2.03 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 2.37 2.37 0.00 81 Q 8.02 4.25 0.00 1.78 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 7.21 0.00 0.00 0.00 0.00 0.00 2.43 2.14 0.00 82 V 7.48 3.96 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 0.80 0.00 0.00 0.87 0.00 0.00 83 K 8.45 4.17 0.00 1.81 1.72 0.00 1.85 0.00 0.00 1.74 0.00 0.00 2.97 0.00 0.00 2.60 0.00 0.00 0.00 0.00 1.36 1.01 7.81 84 E 7.98 4.46 0.00 1.98 1.80 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 2.20 1.86 0.00 85 Y 7.29 4.88 0.00 3.02 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 86 D 8.91 4.43 0.00 2.84 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 87 Q 8.22 4.77 0.00 2.09 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.76 0.00 0.00 0.00 0.00 0.00 2.32 2.36 0.00 88 V 8.39 5.01 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 0.81 0.00 0.00 0.86 0.00 0.00 89 I 8.95 4.85 2.07 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.59 1.15 0.00 0.00 90 T 8.35 5.26 4.17 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 1.11 0.00 0.00 91 D 8.26 5.05 0.00 2.80 2.64 0.00 0.00 0.00 0.00 0.00 0.00 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 I 9.82 4.58 1.89 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 1.28 0.45 0.92 0.00 0.00 93 G 8.32 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 0.00 0.00 0.00 0.00 94 S 7.96 4.56 0.00 3.87 3.75 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 95 G 8.52 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 96 L 8.90 4.02 0.00 1.53 1.80 1.01 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 97 N 7.64 4.59 0.00 2.71 2.85 0.00 0.00 7.18 7.67 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 98 M 8.52 4.27 0.00 2.11 2.12 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.69 0.00 99 K 8.51 4.46 0.00 1.78 1.86 0.00 1.73 0.00 0.00 1.73 0.00 0.00 3.02 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.46 1.52 7.81 100 R 7.81 4.13 0.00 1.98 2.45 0.00 3.25 0.00 0.00 3.52 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.74 0.00 101 K 8.87 4.08 0.00 1.91 1.86 0.00 1.65 0.00 0.00 1.85 0.00 0.00 3.06 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.54 1.60 7.81 102 G 8.47 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 F 9.60 3.97 0.00 3.04 3.06 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 0.00 0.00 0.00 104 L 8.41 3.89 0.00 1.93 1.70 1.03 0.87 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 0.00 105 K 7.92 3.88 0.00 1.86 2.11 0.00 1.64 0.00 0.00 1.60 0.00 0.00 2.92 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.43 1.43 7.81 106 L 7.77 3.87 0.00 1.72 1.47 0.87 0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 107 L 7.53 3.67 0.00 1.35 1.47 0.80 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 108 R 7.92 3.84 0.00 2.07 1.91 0.00 3.32 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 1.60 1.60 0.00 109 M 7.91 4.32 0.00 2.03 2.18 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.61 0.00 110 I 7.41 3.63 1.90 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.58 0.79 0.00 0.00 111 L 7.53 3.68 0.00 1.67 1.63 0.84 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 112 N 7.73 4.63 0.00 2.76 2.94 0.00 0.00 7.22 7.67 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 0.00 113 N 7.82 4.23 0.00 2.95 2.91 0.00 0.00 6.88 7.82 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 0.00 114 E 8.43 4.42 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 2.26 2.32 0.00 115 V 7.40 4.85 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 0.87 0.00 0.00 0.90 0.00 0.00 116 S 8.82 4.99 0.00 3.90 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 0.00 117 R 7.75 5.17 0.00 1.87 1.75 0.00 3.13 0.00 0.00 3.28 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.64 0.00 118 V 9.19 4.84 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 0.94 0.00 0.00 0.91 0.00 0.00 119 V 8.70 5.03 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 0.85 0.00 0.00 0.93 0.00 0.00 120 V 9.07 4.72 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 0.87 0.00 0.00 1.16 0.00 0.00 121 A 8.43 4.03 0.70 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 0.00 0.00 122 Y 7.11 5.23 0.00 3.05 2.94 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 0.00 123 P 0.00 4.34 0.00 2.21 2.07 0.00 3.62 0.00 0.00 4.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.11 0.00 124 D 8.54 5.16 0.00 2.89 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 0.00 125 R 7.69 4.17 0.00 1.95 2.24 0.00 3.35 0.00 0.00 3.10 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.61 0.00 126 L 8.16 4.31 0.00 1.88 1.95 1.01 0.73 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 0.00 127 V 7.43 4.64 2.21 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 0.64 0.00 0.00 1.16 0.00 0.00 128 R 8.68 3.72 0.00 1.59 1.81 0.00 2.85 0.00 0.00 2.82 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.56 0.00 129 F 7.73 5.04 0.00 3.13 2.85 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 0.00 130 G 9.00 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 0.00 0.00 0.00 0.00 131 F 7.82 4.20 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 0.00 132 E 8.37 4.03 0.00 2.16 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 2.48 2.59 0.00 133 I 7.59 3.73 2.08 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.05 0.92 0.00 0.00 134 L 7.72 3.94 0.00 1.50 1.48 1.03 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 135 E 7.58 3.82 0.00 1.96 1.93 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 2.22 1.85 0.00 136 E 7.98 3.98 0.00 2.06 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 2.32 2.46 0.00 137 V 7.30 3.60 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 0.96 0.00 0.00 138 C 8.28 4.25 0.00 2.89 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 0.00 139 K 7.75 3.89 0.00 1.77 1.97 0.00 1.79 0.00 0.00 1.70 0.00 0.00 3.03 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.44 1.46 7.81 140 A 7.76 4.17 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 141 H 8.17 4.76 0.00 3.05 3.43 0.00 5.70 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 142 G 8.41 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 143 C 7.68 4.79 0.00 2.97 2.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 144 E 9.38 4.24 0.00 2.05 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 2.32 2.30 0.00 145 I 8.35 5.05 1.94 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 1.22 0.78 1.03 0.00 0.00 146 V 9.27 4.52 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.00 0.00 0.95 0.00 0.00 147 V 8.28 4.88 2.12 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 0.83 0.00 0.00 0.97 0.00 0.00 148 I 9.19 4.07 1.73 0.00 0.00 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.33 0.89 0.00 0.00 149 N 9.30 4.41 0.00 2.80 2.09 0.00 0.00 7.05 7.27 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 *153 K 8.87 4.28 0.00 1.73 1.82 0.00 1.79 0.00 0.00 1.74 0.00 0.00 2.85 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.34 1.01 7.81 154 E 8.34 3.92 0.00 1.99 1.93 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 2.35 2.34 0.00 155 E 8.00 3.99 0.00 2.01 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 0.00 2.31 1.93 0.00 156 E 8.02 4.99 0.00 2.01 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 2.36 2.21 0.00 157 L 7.43 3.89 0.00 1.93 1.61 0.87 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 158 V 7.47 3.59 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 0.91 0.00 0.00 0.91 0.00 0.00 159 E 7.76 3.94 0.00 2.22 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 2.33 2.35 0.00 160 D 8.53 4.34 0.00 2.83 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 0.00 161 L 8.21 3.97 0.00 1.77 1.78 0.89 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 162 V 8.28 3.59 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 1.07 0.00 0.00 0.97 0.00 0.00 163 S 8.24 4.16 0.00 4.01 3.93 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 0.00 164 I 8.35 3.81 1.99 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.90 0.74 0.00 0.00 165 L 8.35 3.95 0.00 1.81 1.72 0.89 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 166 V 7.93 3.62 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 0.83 0.00 0.00 1.00 0.00 0.00 167 S 8.37 4.31 0.00 4.07 4.22 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 0.00 168 F 8.91 4.02 0.00 3.30 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 0.00 169 S 8.30 4.46 0.00 4.12 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 0.00 170 G 7.97 3.70 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 0.00 0.00 0.00 171 K 8.00 4.00 0.00 1.72 1.79 0.00 1.28 0.00 0.00 1.57 0.00 0.00 2.85 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.46 1.60 7.81 172 L 7.71 4.03 0.00 2.06 1.84 1.11 0.79 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 0.00 173 Y 8.00 3.71 0.00 2.47 2.89 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 0.00 174 G 7.60 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 0.00 175 M 7.94 4.10 0.00 1.98 2.11 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.75 2.50 0.00 176 R 7.54 3.48 0.00 1.66 1.80 0.00 3.03 0.00 0.00 2.85 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.27 0.00 177 S 8.28 4.39 0.00 3.90 3.80 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 0.00 178 H 9.22 4.57 0.00 3.43 3.55 0.00 5.51 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 179 K 7.97 4.06 0.00 1.83 1.93 0.00 1.63 0.00 0.00 1.48 0.00 0.00 2.80 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.41 1.42 7.81 180 Y 8.12 4.34 0.00 3.15 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 0.00 181 E 7.93 3.85 0.00 2.15 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 0.00 2.24 2.22 0.00 182 K 7.98 4.17 0.00 1.95 1.87 0.00 1.52 0.00 0.00 1.74 0.00 0.00 2.99 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.52 1.54 7.81 183 V 7.73 3.58 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 1.06 0.00 0.00 1.01 0.00 0.00 184 K 8.00 3.79 0.00 1.42 1.76 0.00 1.60 0.00 0.00 1.47 0.00 0.00 2.85 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.32 1.33 7.81 185 K 7.87 3.92 0.00 1.83 1.80 0.00 1.88 0.00 0.00 1.57 0.00 0.00 2.84 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.37 1.32 7.81 186 C 7.94 4.31 0.00 2.99 2.94 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 0.00 187 V 7.73 3.56 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 1.04 0.00 0.00 0.95 0.00 0.00 188 E 8.18 3.97 0.00 2.22 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 0.00 2.50 2.33 0.00 189 E 8.65 4.06 0.00 1.98 2.04 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 2.33 2.33 0.00 190 L 7.68 4.21 0.00 1.83 1.70 0.90 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 191 K 8.27 4.11 0.00 1.82 1.86 0.00 1.69 0.00 0.00 1.62 0.00 0.00 2.99 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.47 1.43 7.81 192 N 7.58 4.60 0.00 2.97 2.68 0.00 0.00 7.05 7.44 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 * Residues marked with a * may have inaccurate shift predictions.