NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 29 S 4.3663 8.3231 115.4122 58.0704 64.3131 172.0502 30 G 3.7229 8.2829 109.5924 44.3457 0.0000 171.5448 31 I 3.6893 8.4000 119.9880 61.6447 38.3145 173.9990 32 S 4.7166 8.5642 118.9400 56.5240 64.3463 173.2802 33 L 4.3741 8.6251 126.5857 54.3124 43.1574 176.0487 34 D 4.3744 7.8979 116.5204 55.4651 38.0999 173.7421 35 N 4.6552 8.0662 114.1217 53.6111 39.7202 175.9048 36 S 4.6740 7.4754 111.8361 55.8616 66.0561 173.4807 37 Y 4.2053 8.3699 119.9721 58.0206 38.1699 176.2890 38 K 4.1858 8.8929 124.7643 57.1681 31.9751 176.0925 39 M 4.8561 8.7522 126.0437 55.2636 32.4710 175.9567 40 D 4.9353 7.9181 116.5746 53.2334 39.9104 175.9301 41 Y 4.1916 7.7457 117.0350 57.8337 38.5589 174.2004 42 P 4.4902 0.0000 0.0000 65.3860 31.9054 176.8929 43 E 4.7069 8.4499 117.5655 54.5843 32.7139 177.6111 44 M 3.7432 8.4520 122.5695 58.3356 33.4035 175.4930 45 G 4.2557 7.6301 102.3043 44.0880 0.0000 172.2163 46 L 4.8558 8.5127 118.6876 54.3724 43.7617 176.3804 47 C 4.4609 8.8160 121.4329 57.6267 33.9803 172.1767 48 I 4.5552 8.3298 128.0863 60.0877 38.5295 174.9142 49 I 4.6476 8.6810 128.9629 59.5839 39.5773 174.7954 50 I 4.6187 8.7212 129.2384 59.8836 39.0269 174.6101 51 N 4.9402 9.3178 128.4823 52.0524 39.9827 173.0004 52 N 4.8636 8.9398 124.5602 51.9391 38.9632 174.5935 53 K 4.3102 9.3076 125.9958 57.1488 33.6279 175.8169 54 N 5.2167 7.9822 114.6235 51.3232 40.4601 173.9711 55 F 4.8305 8.5804 120.7567 55.3374 42.1761 175.0742 56 H 4.3879 8.8802 120.7302 55.7486 29.2573 176.8232 57 K 3.8650 8.9734 124.6489 59.8241 31.6387 178.9249 58 S 4.2163 8.2205 113.4247 61.3940 62.7301 175.8788 59 T 4.2447 8.1244 112.3139 61.7658 69.0388 176.0229 60 G 3.8760 7.8312 108.6765 45.7827 0.0000 173.3233 61 M 4.0461 7.6037 119.4294 54.5229 32.7009 176.3836 62 T 4.3627 7.8500 112.7043 60.4231 70.3521 174.8341 63 S 4.7276 8.4907 117.4085 58.9715 64.0754 174.9235 64 R 4.5074 8.6203 122.7494 53.8828 28.7560 175.3132 65 S 4.2913 7.9867 114.6010 59.8585 63.8443 175.9726 66 G 4.0031 8.9262 111.6876 45.9691 0.0000 175.2284 67 T 3.8945 7.7809 113.7301 65.2407 67.1454 175.7243 68 D 4.3331 8.0890 120.5516 57.0998 40.8349 178.6580 69 V 3.5901 7.6834 118.5608 65.9334 31.4188 177.8743 70 D 4.3219 7.9741 117.9270 57.3076 40.8114 178.2664 71 A 3.9641 8.2617 121.2783 55.2962 18.3640 179.6185 72 A 3.9598 8.2234 119.2857 55.1399 18.3666 179.3371 73 N 4.2284 8.2981 115.6185 56.8869 38.9671 177.1147 74 L 4.0866 8.2637 120.6794 57.7326 41.6973 179.4080 75 R 3.9111 8.0674 118.6838 59.4790 30.0468 178.2596 76 E 3.9355 8.2018 119.0301 59.4743 29.4053 178.7931 77 T 3.7235 8.0826 115.9174 66.8557 68.5664 176.6749 78 F 3.9164 8.4723 119.2337 59.7221 38.8073 177.9714 79 R 3.9873 7.9851 119.1064 59.5264 29.7642 178.0673 80 N 4.4778 8.0398 114.1535 55.0462 38.6018 176.2111 81 L 4.4638 7.1852 118.6574 53.8119 42.1398 176.5558 82 K 4.0056 8.0854 117.5712 57.5443 29.7141 175.6675 83 Y 4.3606 8.1011 115.6381 57.2786 39.5821 175.9715 84 E 4.3221 9.1344 124.2936 55.3972 29.7379 174.6569 85 V 4.4868 8.1787 126.2030 62.2064 32.8200 175.0677 86 R 4.6441 8.9325 126.3749 54.4575 33.3155 173.8978 87 N 5.4279 8.8569 122.3344 51.9530 41.5956 173.9283 88 K 4.7061 8.8763 122.6940 54.8932 36.6090 174.9916 89 N 5.2291 8.7960 121.1590 52.1059 41.2484 174.4848 90 D 4.1670 8.1319 119.0084 55.3369 38.8016 173.2462 91 L 4.6884 8.5507 120.8966 53.4238 43.8365 177.5217 92 T 4.6656 9.0050 115.4187 60.3796 71.2294 176.0743 93 R 3.9697 9.4824 118.7374 59.5537 29.2146 178.9360 94 E 4.0128 8.1183 118.7524 59.3181 29.5073 179.0050 95 E 4.0181 8.2528 118.6169 59.1584 29.4569 179.5473 96 I 3.7255 7.9438 120.1196 64.4400 37.1460 178.6232 97 V 3.7746 7.7317 118.7047 65.9658 31.2702 177.6604 98 E 3.8194 8.3883 119.2002 58.9976 29.3887 178.5299 99 L 3.9089 8.1324 120.5379 58.5019 42.1939 178.8970 100 M 4.2048 8.1215 118.5800 58.3053 31.6914 178.7402 101 R 2.5100 7.2647 117.8026 58.9569 30.5441 177.8846 102 D 4.3759 7.9865 118.8546 57.4783 40.8757 179.0360 103 V 3.7984 7.9436 119.0228 66.1043 31.3258 178.1832 104 S 3.8406 7.7543 112.6683 60.4335 62.7382 175.5384 105 K 4.2732 7.2444 119.8894 55.5396 32.2349 176.5552 106 E 4.1074 7.1770 119.5555 55.6171 30.2147 176.2610 107 D 4.5383 8.2672 120.4063 54.0561 40.5906 175.0236 108 H 4.7690 8.5472 123.5005 55.7681 29.0365 177.5408 109 S 4.0622 8.5320 119.1251 61.6903 62.8494 175.7082 110 K 4.5352 8.0157 116.7618 56.3941 32.1705 175.5295 111 R 5.0306 7.4706 118.7624 54.6580 31.2409 176.9488 112 S 4.1982 8.9620 120.2575 61.5813 63.9330 173.8149 113 S 4.6448 8.0489 112.5692 57.7321 66.6561 173.0096 114 F 5.1037 8.7754 120.7632 56.8226 42.9204 173.8590 115 V 4.1006 7.5795 124.9055 60.8111 34.8717 173.6144 116 C 4.6753 8.0060 127.0474 57.3321 34.8917 172.4222 117 V 4.7093 8.8778 126.1481 60.9898 33.9429 173.9009 118 L 4.9324 9.0652 128.1761 52.9812 44.2917 175.3736 119 L 4.9738 8.4278 124.6382 53.9812 44.4958 175.6106 120 S 5.1111 8.2199 117.9601 58.2849 67.3331 174.9263 121 H 4.7786 8.6996 117.2568 56.1329 30.0522 174.7131 122 G 4.6228 8.2850 105.9534 46.4688 0.0000 171.3678 123 E 4.9577 8.5516 118.2912 54.1408 34.8718 174.9031 124 E 3.9190 8.8333 121.3005 58.0726 29.7862 176.9033 125 G 3.9452 9.0576 113.2731 45.7687 0.0000 172.2170 126 I 4.9698 7.8990 119.9961 59.1789 41.5612 174.1754 127 I 4.8025 8.3015 124.8565 59.2254 41.2200 173.9884 128 F 4.9646 9.1315 128.3047 56.5217 39.9720 176.4962 129 G 4.0638 9.5659 114.0400 44.5475 0.0000 174.4043 130 T 4.0391 8.6781 109.2434 63.3890 68.7510 175.4883 131 N 4.9819 9.2932 117.7931 50.7904 38.1238 173.8281 132 G 4.4841 7.2550 108.5796 43.8991 0.0000 170.5680 133 P 4.5830 0.0000 0.0000 62.4481 32.6805 176.0372 134 V 4.3911 8.2967 120.1891 61.0199 35.0702 174.2738 135 D 4.7948 8.7015 127.9862 54.2674 41.2830 177.4716 136 L 3.9423 8.8717 124.2803 57.7417 41.5861 179.6787 137 K 3.8679 7.8667 120.5047 58.7339 31.9010 178.5703 138 K 3.7287 7.5889 118.9979 59.2874 32.5165 178.7194 139 I 4.1794 7.5888 119.8988 64.7778 37.3378 178.4245 140 T 4.0086 8.0071 110.5615 64.5616 68.5731 176.3144 141 N 4.3510 8.1576 119.5832 56.2182 38.2286 177.1212 142 F 4.2705 7.3659 117.1486 59.5890 38.9005 176.0184 143 F 4.6446 7.8497 114.9812 56.8355 39.4210 176.1641 144 R 4.1070 7.8105 121.3216 56.2513 30.4331 177.9165 145 G 3.7973 8.7909 109.4481 48.3263 0.0000 174.1724 146 D 4.6469 8.0035 116.9317 53.8222 40.3149 177.1625 147 R 4.3615 7.7712 117.3108 56.7529 31.4504 175.9013 148 C 4.6749 7.8939 117.9637 56.6685 31.7954 174.0475 149 R 4.4749 8.4616 123.6314 58.1327 30.1229 178.6762 150 S 4.4454 8.0275 109.6883 59.3810 63.4296 174.2417 151 L 4.6086 7.8555 120.4038 54.5042 43.0134 176.3788 152 T 4.0548 7.5772 117.3768 65.0625 68.6357 175.3790 153 G 4.1283 9.1055 114.0250 45.3266 0.0000 173.0388 154 K 4.5345 7.6927 118.8872 53.2791 34.6337 174.2547 155 P 4.1033 0.0000 0.0000 62.8040 32.4027 175.1012 156 K 4.6275 8.6855 123.0656 54.7895 34.2533 175.1592 157 L 4.6403 8.6916 126.4804 52.8824 43.8963 175.8188 158 F 4.8399 8.8544 122.1619 55.7764 41.6074 174.6097 159 I 4.3791 8.6667 126.1928 59.7091 38.9407 175.0034 160 I 4.8399 8.4375 128.0310 59.6374 39.8634 175.2328 161 Q 4.4988 8.7908 130.2647 55.2402 29.6997 174.0062 162 A 4.8867 7.8600 125.4320 51.6394 21.8025 175.4065 163 C 4.3751 8.9525 117.0660 59.7816 29.1246 173.9683 164 R 4.5948 9.5062 117.6264 54.2183 31.4905 176.6117 165 G 3.9146 6.9343 105.2687 45.9851 0.0000 173.5345 166 T 4.5925 7.9899 113.3289 61.3059 69.2440 173.5962 167 E 4.3873 8.1073 120.5070 56.2000 30.5633 175.7811 168 L 4.6743 8.1856 120.8571 52.9202 44.5523 175.7592 169 D 4.7069 8.5003 122.5337 52.7374 41.3049 176.0865 170 C 4.1148 8.7087 122.4154 58.7739 30.0942 174.6394 171 G 3.9830 8.5269 110.6166 44.7562 0.0000 172.5548 172 I 4.5543 7.7567 117.2931 58.6775 40.9184 174.1442 173 E 4.0332 8.8503 128.6504 56.4451 30.0175 175.5508 174 T 4.5166 8.1712 117.0214 60.2858 72.0400 174.2240 *175 D 4.4254 8.4798 118.8790 53.5518 40.5341 172.5585 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 29 S 8.32 4.37 0.00 3.99 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 30 G 8.28 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 I 8.40 3.69 1.87 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 1.30 0.57 0.91 0.00 0.00 32 S 8.56 4.72 0.00 3.78 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 33 L 8.63 4.37 0.00 1.65 1.68 0.91 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 34 D 7.90 4.37 0.00 2.77 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 35 N 8.07 4.66 0.00 2.68 2.82 0.00 0.00 6.96 7.57 0.00 0.00 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 S 7.48 4.67 0.00 3.95 3.78 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 37 Y 8.37 4.21 0.00 3.08 2.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 K 8.89 4.19 0.00 1.80 1.99 0.00 1.59 0.00 0.00 1.45 0.00 0.00 2.40 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.31 1.44 7.81 39 M 8.75 4.86 0.00 2.08 2.09 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.78 0.00 40 D 7.92 4.94 0.00 2.73 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 41 Y 7.75 4.19 0.00 3.15 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 42 P 0.00 4.49 0.00 1.99 2.17 0.00 4.02 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.18 0.00 43 E 8.45 4.71 0.00 1.99 1.76 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 2.20 2.25 0.00 44 M 8.45 3.74 0.00 0.68 1.67 0.00 0.00 0.00 0.00 0.00 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.31 0.00 45 G 7.63 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 0.00 0.00 0.00 0.00 46 L 8.51 4.86 0.00 1.85 1.68 1.15 0.76 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 47 C 8.82 4.46 0.00 2.43 2.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 I 8.33 4.56 1.76 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 1.23 1.13 0.93 0.00 0.00 49 I 8.68 4.65 1.93 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.62 0.91 0.00 0.00 50 I 8.72 4.62 1.89 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.70 0.93 0.00 0.00 51 N 9.32 4.94 0.00 2.76 2.86 0.00 0.00 6.75 6.64 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 52 N 8.94 4.86 0.00 2.78 2.32 0.00 0.00 6.80 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 K 9.31 4.31 0.00 1.73 1.72 0.00 1.60 0.00 0.00 1.87 0.00 0.00 2.87 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.36 1.57 7.81 54 N 7.98 5.22 0.00 2.80 2.70 0.00 0.00 6.72 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 55 F 8.58 4.83 0.00 2.99 2.99 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 56 H 8.88 4.39 0.00 3.33 3.25 0.00 5.65 0.00 0.00 0.00 0.00 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 K 8.97 3.86 0.00 1.84 1.84 0.00 1.74 0.00 0.00 1.88 0.00 0.00 3.00 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.53 1.53 7.81 58 S 8.22 4.22 0.00 4.10 4.04 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 59 T 8.12 4.24 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 1.37 0.00 0.00 60 G 7.83 3.88 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 0.00 61 M 7.60 4.05 0.00 1.29 1.68 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 2.28 1.93 0.00 62 T 7.85 4.36 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 1.16 0.00 0.00 63 S 8.49 4.73 0.00 4.13 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 64 R 8.62 4.51 0.00 1.96 1.94 0.00 2.92 0.00 0.00 3.68 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.65 0.00 65 S 7.99 4.29 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 66 G 8.93 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 0.00 0.00 0.00 67 T 7.78 3.89 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 1.29 0.00 0.00 68 D 8.09 4.33 0.00 2.73 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 69 V 7.68 3.59 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 1.04 0.00 0.00 0.94 0.00 0.00 70 D 7.97 4.32 0.00 2.95 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 71 A 8.26 3.96 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 72 A 8.22 3.96 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 73 N 8.30 4.23 0.00 2.98 2.95 0.00 0.00 7.23 6.20 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 74 L 8.26 4.09 0.00 1.92 1.80 0.96 1.14 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 75 R 8.07 3.91 0.00 2.01 2.09 0.00 3.10 0.00 0.00 3.10 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.66 0.00 76 E 8.20 3.94 0.00 2.15 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 2.30 2.38 0.00 77 T 8.08 3.72 4.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.00 0.00 78 F 8.47 3.92 0.00 3.15 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 79 R 7.99 3.99 0.00 2.09 2.16 0.00 3.11 0.00 0.00 3.19 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.71 0.00 80 N 8.04 4.48 0.00 2.88 2.85 0.00 0.00 7.06 7.88 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 81 L 7.19 4.46 0.00 2.10 1.95 0.62 0.87 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 82 K 8.09 4.01 0.00 1.85 1.94 0.00 1.71 0.00 0.00 1.72 0.00 0.00 3.16 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.35 1.53 7.81 83 Y 8.10 4.36 0.00 3.15 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 84 E 9.13 4.32 0.00 2.06 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 2.30 2.27 0.00 85 V 8.18 4.49 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 0.82 0.00 0.00 1.11 0.00 0.00 86 R 8.93 4.64 0.00 1.75 1.77 0.00 3.17 0.00 0.00 3.11 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.55 0.00 87 N 8.86 5.43 0.00 2.68 2.67 0.00 0.00 6.97 6.68 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 88 K 8.88 4.71 0.00 1.65 1.61 0.00 1.68 0.00 0.00 1.64 0.00 0.00 2.83 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.34 1.55 7.81 89 N 8.80 5.23 0.00 2.54 2.66 0.00 0.00 7.30 8.06 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 90 D 8.13 4.17 0.00 2.67 2.52 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.55 4.69 0.00 1.68 1.57 0.93 0.70 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 92 T 9.00 4.67 4.52 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 93 R 9.48 3.97 0.00 2.04 2.46 0.00 2.83 0.00 0.00 3.20 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.71 0.00 94 E 8.12 4.01 0.00 2.10 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 2.42 2.48 0.00 95 E 8.25 4.02 0.00 2.26 2.00 0.00 0.00 0.00 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 2.36 0.00 96 I 7.94 3.73 2.08 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 1.45 1.05 1.00 0.00 0.00 97 V 7.73 3.77 2.28 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 1.33 0.00 0.00 1.10 0.00 0.00 98 E 8.39 3.82 0.00 2.18 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 2.40 2.28 0.00 99 L 8.13 3.91 0.00 1.88 1.90 0.94 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 100 M 8.12 4.20 0.00 2.45 2.24 0.00 0.00 0.00 0.00 0.00 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.91 3.03 0.00 101 R 7.26 2.51 0.00 0.79 1.70 0.00 3.23 0.00 0.00 3.27 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.27 0.00 102 D 7.99 4.38 0.00 2.86 2.65 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 0.00 103 V 7.94 3.80 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 1.28 0.00 0.00 1.05 0.00 0.00 104 S 7.75 3.84 0.00 3.38 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 0.00 105 K 7.24 4.27 0.00 1.81 1.80 0.00 1.59 0.00 0.00 1.63 0.00 0.00 2.97 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.34 1.46 7.81 106 E 7.18 4.11 0.00 2.02 1.72 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 2.29 2.36 0.00 107 D 8.27 4.54 0.00 2.60 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 0.00 108 H 8.55 4.77 0.00 3.32 3.25 0.00 5.69 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 0.00 109 S 8.53 4.06 0.00 3.90 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 0.00 110 K 8.02 4.54 0.00 1.80 1.88 0.00 1.72 0.00 0.00 1.91 0.00 0.00 2.95 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.51 1.42 7.81 111 R 7.47 5.03 0.00 1.78 1.82 0.00 3.19 0.00 0.00 3.31 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.57 0.00 112 S 8.96 4.20 0.00 3.88 4.01 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 0.00 113 S 8.05 4.64 0.00 4.01 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 0.00 114 F 8.78 5.10 0.00 3.02 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 0.00 115 V 7.58 4.10 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 -0.07 0.00 0.00 0.32 0.00 0.00 116 C 8.01 4.68 0.00 2.30 1.77 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 0.00 117 V 8.88 4.71 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 0.99 0.00 0.00 0.58 0.00 0.00 118 L 9.07 4.93 0.00 1.62 1.60 1.02 0.40 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 0.00 119 L 8.43 4.97 0.00 1.64 1.59 0.98 0.60 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 0.00 120 S 8.22 5.11 0.00 4.03 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 0.00 121 H 8.70 4.78 0.00 2.92 2.97 0.00 5.71 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 0.00 122 G 8.29 4.62 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 0.00 123 E 8.55 4.96 0.00 1.93 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 2.38 2.63 0.00 124 E 8.83 3.92 0.00 2.09 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 2.29 2.37 0.00 125 G 9.06 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 126 I 7.90 4.97 1.69 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 1.10 0.35 0.00 0.00 127 I 8.30 4.80 1.89 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 1.68 0.99 0.00 0.00 128 F 9.13 4.96 0.00 3.23 3.15 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 0.00 0.00 0.00 129 G 9.57 4.06 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 0.00 0.00 0.00 130 T 8.68 4.04 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 0.95 0.00 0.00 131 N 9.29 4.98 0.00 2.85 2.76 0.00 0.00 5.99 7.00 0.00 0.00 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 G 7.25 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 0.00 0.00 0.00 0.00 133 P 0.00 4.58 0.00 1.76 1.31 0.00 3.80 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 1.94 1.95 0.00 134 V 8.30 4.39 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 0.99 0.00 0.00 0.95 0.00 0.00 135 D 8.70 4.79 0.00 2.61 2.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 136 L 8.87 3.94 0.00 1.61 1.63 0.89 0.61 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 0.00 137 K 7.87 3.87 0.00 1.79 1.72 0.00 1.56 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.44 1.33 7.81 138 K 7.59 3.73 0.00 1.73 1.91 0.00 1.82 0.00 0.00 1.72 0.00 0.00 3.10 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.35 1.29 7.81 139 I 7.59 4.18 2.07 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.76 1.20 0.00 0.00 140 T 8.01 4.01 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 0.39 0.00 0.00 141 N 8.16 4.35 0.00 2.60 2.66 0.00 0.00 6.87 7.73 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 0.00 142 F 7.37 4.27 0.00 2.90 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 0.00 0.00 0.00 0.00 143 F 7.85 4.64 0.00 3.32 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 0.00 144 R 7.81 4.11 0.00 1.98 2.07 0.00 3.17 0.00 0.00 3.21 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.59 0.00 145 G 8.79 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 0.00 0.00 0.00 146 D 8.00 4.65 0.00 2.79 2.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 147 R 7.77 4.36 0.00 1.78 1.99 0.00 3.29 0.00 0.00 3.10 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.57 0.00 148 C 7.89 4.67 0.00 2.94 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 0.00 149 R 8.46 4.47 0.00 1.88 1.97 0.00 3.77 0.00 0.00 3.49 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.53 0.00 150 S 8.03 4.45 0.00 3.99 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 0.00 151 L 7.86 4.61 0.00 1.84 1.68 0.74 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 152 T 7.58 4.05 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 1.25 0.00 0.00 153 G 9.11 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 0.00 0.00 0.00 154 K 7.69 4.53 0.00 1.83 1.73 0.00 1.70 0.00 0.00 1.61 0.00 0.00 2.13 0.00 0.00 2.68 0.00 0.00 0.00 0.00 1.30 1.31 7.81 155 P 0.00 4.10 0.00 1.85 1.24 0.00 3.48 0.00 0.00 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.51 0.00 156 K 8.69 4.63 0.00 1.79 2.01 0.00 1.96 0.00 0.00 1.89 0.00 0.00 3.00 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.42 1.66 7.81 157 L 8.69 4.64 0.00 1.23 1.44 0.88 0.86 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 0.00 158 F 8.85 4.84 0.00 2.85 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 0.00 159 I 8.67 4.38 1.78 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 1.21 0.56 0.92 0.00 0.00 160 I 8.44 4.84 1.91 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 1.30 0.69 0.95 0.00 0.00 161 Q 8.79 4.50 0.00 2.17 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.81 0.00 0.00 0.00 0.00 0.00 2.29 2.36 0.00 162 A 7.86 4.89 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 0.00 163 C 8.95 4.38 0.00 3.20 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 0.00 164 R 9.51 4.59 0.00 1.75 2.06 0.00 3.35 0.00 0.00 3.24 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.60 0.00 165 G 6.93 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 0.00 166 T 7.99 4.59 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 0.00 167 E 8.11 4.39 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 2.29 2.33 0.00 168 L 8.19 4.67 0.00 1.59 1.53 0.92 1.00 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 0.00 169 D 8.50 4.71 0.00 2.63 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 0.00 170 C 8.71 4.11 0.00 3.12 3.05 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 0.00 171 G 8.53 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 0.00 172 I 7.76 4.55 1.87 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 1.30 0.92 0.91 0.00 0.00 173 E 8.85 4.03 0.00 1.95 1.84 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 2.29 2.36 0.00 174 T 8.17 4.52 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 1.25 0.00 0.00 *175 D 8.48 4.43 0.00 2.47 2.52 0.00 0.00 0.00 0.00 0.00 0.00 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.