NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 A 4.5271 8.5004 122.9748 51.9952 19.7442 175.5831 *2 A 4.1134 8.2954 116.6263 51.7845 19.7250 176.6536 3 K 4.3803 8.5237 122.1943 56.8031 33.1246 176.0644 4 Q 5.0599 9.1845 125.1217 54.5065 32.7958 174.6019 5 T 5.2733 8.9791 117.5020 61.8631 72.4839 173.1584 6 I 5.1705 8.9486 119.4243 59.1192 41.3912 174.2451 7 I 4.8275 8.4718 124.3127 59.6547 39.6695 174.9345 8 V 5.1687 8.7946 126.1973 59.9743 34.9832 174.1465 *10 S 4.1018 8.3807 117.9763 58.1982 63.8178 172.5781 11 D 4.5589 8.5681 122.4786 55.5798 38.4266 174.9484 12 S 4.2778 7.7880 113.3546 58.5988 64.7865 173.8968 13 H 4.2949 9.1259 117.5054 56.8169 25.9825 175.3184 14 G 3.8699 8.9986 105.4956 45.6800 0.0000 172.8473 15 D 4.5973 7.8274 119.8429 53.4129 41.2685 176.2341 16 S 4.4470 8.3780 123.3273 60.4783 63.6239 176.1271 17 L 3.9456 7.8495 122.4676 57.6504 41.3877 179.0089 18 I 3.6893 8.4125 119.0434 63.8033 37.8032 178.1953 19 V 3.5100 7.2195 118.6182 65.8496 31.2899 177.5890 20 E 3.7867 8.1214 119.0780 59.2115 29.4589 178.3681 21 E 3.8649 8.2696 119.3827 59.3407 29.5795 179.0414 22 V 3.6238 7.7900 118.3106 65.8395 31.4935 177.5560 23 R 3.9090 8.1918 118.6988 59.9300 29.6554 177.9760 24 D 4.2655 8.2113 117.9275 57.5729 40.9450 178.7989 25 R 3.7951 7.7967 118.1176 58.6726 30.2185 176.6416 26 Y 4.6862 7.6198 115.0524 58.3578 40.3181 176.2296 27 V 3.8024 8.3623 120.5884 64.2024 31.7879 176.3021 28 G 4.0302 9.1065 115.3660 45.4022 0.0000 173.6025 29 K 4.4981 8.2681 117.1391 56.0886 33.6643 175.7950 30 V 4.6566 7.4009 110.4454 59.0903 35.4027 175.1468 31 D 4.6424 8.7383 120.4358 57.5341 41.2183 177.0590 32 A 4.3996 7.5726 116.7781 50.8892 22.7827 175.3142 33 V 4.8097 7.7930 119.3089 61.0364 34.5297 174.3079 34 F 5.3876 9.7919 126.8543 55.9137 42.7514 173.6823 35 H 4.9279 9.4067 121.9657 54.4610 32.6870 173.2753 36 N 4.5372 8.7399 121.9787 53.1817 38.8900 174.4071 37 G 3.5849 8.3607 105.2948 45.1465 0.0000 172.8440 38 D 4.3422 8.3779 114.3662 55.3099 38.2008 176.2428 39 S 4.4689 7.9116 114.0247 58.6635 64.0581 175.4978 40 E 3.9748 8.6705 117.7776 56.9242 27.1763 173.9492 41 L 4.8660 7.6304 118.5545 52.9218 43.9758 176.6083 42 R 3.5240 8.1581 119.3266 55.3039 30.5225 176.5884 43 P 3.8558 0.0000 0.0000 65.1082 31.3455 176.8604 44 D 4.6541 7.7736 115.1641 52.9572 40.0745 176.3565 45 S 4.0602 8.0369 116.3766 58.3256 62.7512 173.2507 46 P 4.4832 0.0000 0.0000 64.5303 31.3834 178.0785 47 L 3.8772 7.2540 118.7965 57.0189 41.6772 177.8322 48 W 4.9566 7.8011 117.3667 56.8989 29.4623 175.8984 49 E 4.3009 7.8302 119.8635 57.7857 28.9563 177.4358 50 G 3.9977 9.2256 112.8691 44.8369 0.0000 172.6229 51 I 4.6761 7.4992 120.0278 59.4807 39.8563 175.4607 52 R 4.5026 8.8226 126.3333 55.0020 31.2244 175.8153 53 V 5.3940 8.1416 123.2177 58.8231 33.9974 175.2748 54 V 4.6050 8.1097 115.5716 59.1093 35.1900 174.7540 55 K 3.8833 8.9355 124.5068 56.1165 32.5119 176.8090 56 G 3.9310 8.8454 115.1839 42.9455 0.0000 174.7099 57 N 4.3461 7.7870 117.0120 52.0737 36.2574 175.1774 *59 D 4.1174 8.0488 118.2536 55.5864 41.5497 175.4259 60 F 4.8264 8.2296 122.5792 58.3025 40.4678 176.4701 61 Y 4.3572 7.7202 117.8063 57.3881 38.2895 175.6354 62 A 4.1165 8.5200 126.9925 53.3730 19.0158 177.1815 63 G 3.8213 8.6674 107.5656 45.5503 0.0000 173.5950 64 Y 4.6079 7.6449 118.1294 55.7943 39.5082 173.6539 65 P 4.5798 0.0000 0.0000 62.3311 32.5360 177.2783 66 E 4.0541 8.8436 120.3210 59.0295 29.6923 177.4817 67 R 5.1374 7.6575 114.5545 54.3840 34.3810 174.8885 68 L 4.7978 9.0545 122.7257 53.6631 45.8913 174.7742 69 V 4.5664 8.6360 125.9146 61.6142 33.3655 174.7221 70 T 4.6323 9.0565 124.6607 61.9528 71.5574 172.6993 71 E 4.7868 8.8919 126.7358 54.6998 31.1286 175.7456 72 L 4.5545 9.2618 127.7625 53.4289 44.1036 177.9931 73 G 3.9046 8.3008 118.4795 46.9203 0.0000 173.0264 74 S 4.3641 8.9324 118.0806 58.3343 63.4226 173.5539 75 T 4.2872 8.4791 120.3263 62.0435 68.9011 173.4191 76 K 4.5185 8.4220 129.2963 55.4510 33.5486 175.0645 77 I 4.8271 8.5953 129.3911 59.4284 39.5973 175.0110 78 I 4.9034 8.2665 120.0921 59.3482 41.0477 174.3551 79 Q 5.1123 8.7360 123.9021 55.5413 32.7456 173.1326 80 T 5.0348 9.1177 119.7601 61.4693 71.3875 173.8170 81 H 4.6721 8.5817 125.0210 60.3791 30.2553 175.8828 82 G 3.8834 8.9047 109.4145 45.9733 0.0000 175.3633 83 H 4.0996 8.4736 116.6782 58.3851 28.5466 176.8922 84 L 4.0239 7.5784 117.3568 55.7044 41.6938 177.0402 85 F 4.4379 8.1034 116.3787 56.2650 39.9311 175.0552 86 D 4.4749 7.7961 120.7887 55.3088 38.6042 175.5739 87 I 4.1100 7.6739 110.9134 62.7915 38.1525 177.1185 88 N 4.3950 8.0607 117.8621 55.7060 38.1782 175.5330 89 F 4.5681 7.6365 121.2322 59.0934 40.2538 175.8113 90 N 4.3492 7.1844 114.7142 51.6099 39.7135 174.6642 91 F 4.7386 8.3098 114.7686 57.7560 39.1476 177.7785 92 Q 4.0595 8.0561 120.8075 58.9562 28.5725 178.9068 93 K 4.1906 8.0711 119.0794 59.4108 32.3118 178.9402 94 L 3.8099 8.1526 120.1900 58.3421 42.0680 178.4266 95 D 4.6447 8.6974 118.3649 57.3915 41.0776 177.4738 96 Y 4.1563 8.4692 120.3393 60.4612 38.8401 177.9639 97 W 4.4687 8.5525 128.7141 60.6393 30.9111 177.8781 98 A 3.4845 8.1863 120.6416 54.8608 17.6842 179.6781 99 Q 3.8835 8.0251 117.0134 58.8545 28.6971 178.4078 100 E 3.8688 7.8887 117.7385 59.3283 29.6070 178.6259 101 E 3.9343 7.9561 117.7966 56.2578 30.5747 176.2440 102 E 3.5998 7.6569 117.9257 57.0872 27.6192 174.9455 103 A 4.0694 7.4529 119.7277 51.8578 19.9748 178.2202 104 A 4.2628 8.8730 123.6971 54.5222 19.7830 178.0363 105 I 4.4973 7.2525 114.5738 59.5142 42.0244 174.1432 106 C 4.7735 8.6291 126.6692 57.5356 33.9883 172.2819 107 L 5.1606 8.9239 127.4570 53.2867 43.5155 175.4580 108 Y 6.1297 8.0878 120.4923 54.0527 42.0499 174.8136 109 G 4.0973 8.9074 109.2047 46.2493 0.0000 173.1499 110 H 4.8423 9.7902 126.4475 56.4402 28.6084 176.2011 111 L 4.1232 7.8311 117.5083 55.8547 42.0821 177.4868 112 H 4.1888 8.5431 114.1200 56.4411 26.1877 173.4109 113 V 4.7263 7.1454 117.7004 60.1036 33.4755 173.5059 114 P 4.6696 0.0000 0.0000 63.1587 31.9636 175.9208 115 S 4.7605 9.0308 118.2394 57.2344 67.9480 173.2210 116 A 5.0679 8.6253 124.7830 50.2219 21.6334 175.2639 117 W 5.3907 8.6408 119.0096 55.0190 32.4689 173.7411 118 L 5.0155 8.6042 123.1248 53.4506 43.2194 175.2063 119 E 4.6361 9.2412 127.3064 55.1867 33.0751 175.1918 120 G 3.9414 8.6826 114.3416 46.9811 0.0000 174.0882 121 K 4.4791 8.7099 124.7731 56.3672 32.4696 175.6100 122 I 4.3925 7.5371 121.2942 59.3423 39.2707 174.7336 123 L 4.1240 7.9384 129.8240 54.7158 43.0759 175.2840 124 F 5.0162 9.1118 125.9620 55.6467 41.4384 174.7063 125 L 4.9181 8.5875 124.9711 53.2634 45.5870 174.1202 126 N 5.0713 8.5554 125.1479 50.1133 40.5388 173.3456 127 P 4.5270 0.0000 0.0000 63.3179 31.7804 176.9320 128 G 3.7533 8.2059 107.6242 45.0426 0.0000 172.1085 129 S 4.7675 8.1156 112.3539 56.6255 63.2780 174.6152 130 I 4.2860 8.0773 126.5941 61.8603 37.7740 176.2602 131 S 4.6687 7.9517 113.1096 59.4573 65.7711 173.4328 132 Q 4.8231 8.4586 118.3049 53.1682 29.1618 172.7113 133 P 4.3964 0.0000 0.0000 62.7973 32.3975 176.7262 134 R 4.6656 8.0399 119.0613 55.3366 34.7071 176.7373 135 G 3.8955 8.5702 105.7219 46.1026 0.0000 174.4296 136 T 3.9942 8.5684 108.9991 63.6873 69.3894 174.8100 137 I 4.2499 7.6054 122.9465 60.1031 37.8055 175.1629 138 R 4.4283 8.5436 123.7475 55.7657 30.2332 175.4386 139 E 4.4643 7.5275 118.8145 54.2969 31.0737 175.2109 140 C 4.5775 8.3843 123.5472 60.0048 28.8887 172.9774 141 L 5.2148 8.8331 122.4348 53.4051 46.4921 174.8275 142 Y 5.2201 8.6906 118.5469 55.3993 42.2113 173.5050 143 A 4.8107 9.2351 119.7981 50.0553 22.7463 175.0526 144 R 4.8676 8.5574 121.3682 54.4230 32.7804 174.6706 145 V 4.7906 8.5922 126.2700 61.1681 34.2263 173.7636 146 E 5.1565 9.3693 127.7866 54.8093 31.8731 174.8923 147 I 5.1543 9.0458 125.5901 59.7286 40.1794 174.6017 148 D 4.7888 8.7436 125.4483 52.2160 42.5555 175.6574 149 D 4.4301 8.8669 116.6473 57.1154 41.1801 178.5782 150 S 4.0811 7.5784 114.8813 59.4010 64.1771 173.4811 151 Y 5.4102 7.8350 116.4238 56.3965 42.7123 174.2064 152 F 5.5243 9.0330 121.6934 56.0837 41.4539 174.6250 153 K 4.9705 9.3587 125.4837 54.6219 34.6698 174.5880 154 V 4.7862 9.0484 128.0623 61.2044 33.8614 173.9109 155 D 5.2299 8.7475 127.2597 52.5025 44.5359 174.8240 156 F 5.0084 8.7648 120.3578 55.9887 41.4877 174.7190 157 L 5.2454 8.8393 122.8728 53.0381 45.2926 176.8444 158 T 4.6151 8.5804 113.0668 60.5245 70.2220 175.7431 159 R 4.1710 8.4549 119.3711 58.2923 30.0030 177.3023 160 D 4.6271 7.8134 116.4120 53.9171 41.1035 175.9302 161 H 4.4038 8.4026 115.6476 57.2250 26.4117 174.4525 162 E 4.7625 7.8674 117.1595 54.0732 31.9462 175.7012 163 V 4.0682 8.2546 122.2599 63.4161 32.3078 174.4758 164 Y 4.6223 9.0719 130.5014 55.8064 39.2585 173.3794 165 P 4.3322 0.0000 0.0000 63.7981 32.2228 176.8606 166 G 3.9922 9.2911 109.6726 45.3312 0.0000 173.7402 167 L 4.7085 7.4344 116.7614 54.4538 43.8632 176.9782 168 S 4.7246 8.0078 114.5914 58.6588 63.6949 173.8320 169 K 4.5594 9.0814 121.4435 54.6220 36.6939 174.7697 170 E 4.9962 8.3805 123.5144 54.3700 32.2223 174.7265 171 F 5.2159 9.4853 126.0584 55.7238 41.9002 174.8344 172 S 5.0531 9.0120 118.1288 57.6835 64.6569 174.3267 173 R 4.2259 8.1450 120.2316 56.3446 29.6608 176.0999 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 0 A 8.50 4.53 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 *2 A 8.30 4.11 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 3 K 8.52 4.38 0.00 1.80 1.74 0.00 1.76 0.00 0.00 1.73 0.00 0.00 2.90 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.45 1.69 7.81 4 Q 9.18 5.06 0.00 2.04 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.54 0.00 0.00 0.00 0.00 0.00 2.29 2.49 0.00 5 T 8.98 5.27 4.28 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 1.22 0.00 0.00 6 I 8.95 5.17 2.19 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.75 1.08 0.00 0.00 7 I 8.47 4.83 1.65 0.00 0.00 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 -0.03 0.63 0.00 0.00 8 V 8.79 5.17 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 1.22 0.00 0.00 0.86 0.00 0.00 *10 S 8.38 4.10 0.00 3.92 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 11 D 8.57 4.56 0.00 2.70 2.51 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.79 4.28 0.00 4.07 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 0.00 13 H 9.13 4.29 0.00 3.36 3.41 0.00 5.67 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 14 G 9.00 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 0.00 0.00 0.00 15 D 7.83 4.60 0.00 2.74 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 16 S 8.38 4.45 0.00 3.97 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 17 L 7.85 3.95 0.00 1.83 1.74 0.91 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 18 I 8.41 3.69 2.00 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 1.42 1.21 1.00 0.00 0.00 19 V 7.22 3.51 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 0.57 0.00 0.00 0.97 0.00 0.00 20 E 8.12 3.79 0.00 2.04 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.24 0.00 21 E 8.27 3.86 0.00 2.14 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 0.00 2.34 2.31 0.00 22 V 7.79 3.62 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 0.83 0.00 0.00 0.66 0.00 0.00 23 R 8.19 3.91 0.00 1.95 2.03 0.00 3.24 0.00 0.00 3.31 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.75 0.00 24 D 8.21 4.27 0.00 2.82 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 25 R 7.80 3.80 0.00 1.62 1.46 0.00 2.51 0.00 0.00 2.29 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.19 0.00 26 Y 7.62 4.69 0.00 3.11 2.87 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 27 V 8.36 3.80 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 0.74 0.00 0.00 1.02 0.00 0.00 28 G 9.11 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 29 K 8.27 4.50 0.00 1.89 1.88 0.00 1.81 0.00 0.00 1.69 0.00 0.00 2.78 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.38 1.38 7.81 30 V 7.40 4.66 2.31 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 0.88 0.00 0.00 1.06 0.00 0.00 31 D 8.74 4.64 0.00 2.74 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 32 A 7.57 4.40 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 33 V 7.79 4.81 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 0.88 0.00 0.00 0.93 0.00 0.00 34 F 9.79 5.39 0.00 2.91 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 35 H 9.41 4.93 0.00 3.36 3.05 0.00 5.57 0.00 0.00 0.00 0.00 6.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 N 8.74 4.54 0.00 2.80 2.85 0.00 0.00 7.32 7.78 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 37 G 8.36 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 38 D 8.38 4.34 0.00 3.02 2.43 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 39 S 7.91 4.47 0.00 4.24 4.21 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 40 E 8.67 3.97 0.00 2.32 2.22 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 2.22 2.25 0.00 41 L 7.63 4.87 0.00 2.01 1.69 0.57 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 42 R 8.16 3.52 0.00 1.69 1.70 0.00 2.97 0.00 0.00 3.19 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.65 0.83 0.00 43 P 0.00 3.86 0.00 1.65 1.13 0.00 3.29 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.77 0.00 44 D 7.77 4.65 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 45 S 8.04 4.06 0.00 3.87 3.45 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 46 P 0.00 4.48 0.00 2.21 2.26 0.00 3.66 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 1.94 0.00 47 L 7.25 3.88 0.00 0.90 1.28 0.70 1.22 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 48 W 7.80 4.96 0.00 3.52 3.14 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 49 E 7.83 4.30 0.00 1.96 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 0.00 *59 D 8.05 4.12 0.00 2.72 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 60 F 8.23 4.83 0.00 2.81 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 61 Y 7.72 4.36 0.00 2.98 2.82 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 0.00 0.00 0.00 62 A 8.52 4.12 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 63 G 8.67 3.82 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 0.00 0.00 0.00 0.00 0.00 0.00 64 Y 7.64 4.61 0.00 2.96 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 65 P 0.00 4.58 0.00 2.49 2.21 0.00 3.92 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.02 0.00 66 E 8.84 4.05 0.00 1.95 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 2.30 2.33 0.00 67 R 7.66 5.14 0.00 1.74 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 76 K 8.42 4.52 0.00 1.78 1.60 0.00 1.62 0.00 0.00 1.81 0.00 0.00 2.73 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.32 1.39 7.81 77 I 8.60 4.83 1.91 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 1.10 0.57 0.38 0.00 0.00 78 I 8.27 4.90 1.10 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 0.66 0.27 0.49 0.00 0.00 79 Q 8.74 5.11 0.00 2.06 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.64 0.00 0.00 0.00 0.00 0.00 2.35 2.42 0.00 80 T 9.12 5.03 4.33 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 1.26 0.00 0.00 81 H 8.58 4.67 0.00 3.51 3.47 0.00 5.95 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 82 G 8.90 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 83 H 8.47 4.10 0.00 3.23 3.17 0.00 5.46 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.30 6.82 0.00 0.00 0.00 0.00 0.00 2.35 2.31 0.00 93 K 8.07 4.19 0.00 2.19 2.19 0.00 1.91 0.00 0.00 1.75 0.00 0.00 2.90 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.60 1.59 7.81 94 L 8.15 3.81 0.00 1.80 1.93 0.68 1.01 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 95 D 8.70 4.64 0.00 2.80 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 96 Y 8.47 4.16 0.00 3.31 3.28 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 97 W 8.55 4.47 0.00 3.75 3.41 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.19 3.48 1.22 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 0.00 0.00 99 Q 8.03 3.88 0.00 2.10 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.74 0.00 0.00 0.00 0.00 0.00 2.51 2.60 0.00 100 E 7.89 3.87 0.00 1.98 1.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 0.00 0.00 0.00 109 G 8.91 4.10 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 0.00 0.00 0.00 0.00 0.00 0.00 110 H 9.79 4.84 0.00 3.21 3.60 0.00 5.95 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 L 7.83 4.12 0.00 1.91 1.83 1.35 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 0.00 0.00 0.00 0.00 0.00 0.00 112 H 8.54 4.19 0.00 3.33 3.50 0.00 5.57 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 0.00 113 V 7.15 4.73 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 1.12 0.00 0.00 114 P 0.00 4.67 0.00 0.96 1.60 0.00 3.73 0.00 0.00 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.71 0.00 115 S 9.03 4.76 0.00 3.15 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 0.00 116 A 8.63 5.07 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 W 8.64 5.39 0.00 3.32 3.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 L 8.60 5.02 0.00 1.24 1.67 0.94 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 119 E 9.24 4.64 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 2.09 2.31 0.00 120 G 8.68 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 0.00 121 K 8.71 4.48 0.00 1.76 1.85 0.00 1.71 0.00 0.00 1.70 0.00 0.00 2.95 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.39 1.46 7.81 122 I 7.54 4.39 1.86 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.76 0.11 0.00 0.00 123 L 7.94 4.12 0.00 0.77 0.54 0.37 -0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 124 F 9.11 5.02 0.00 2.35 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 0.00 125 L 8.59 4.92 0.00 1.46 1.18 0.80 0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 126 N 8.56 5.07 0.00 1.49 2.37 0.00 0.00 6.83 7.28 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 0.00 127 P 0.00 4.53 0.00 2.32 2.20 0.00 3.78 0.00 0.00 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.93 0.00 128 G 8.21 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 0.00 0.00 0.00 129 S 8.12 4.77 0.00 3.66 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 0.00 130 I 8.08 4.29 1.93 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 1.37 1.51 0.93 0.00 0.00 131 S 7.95 4.67 0.00 3.93 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 132 Q 8.46 4.82 0.00 1.99 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.84 0.00 0.00 0.00 0.00 0.00 2.30 2.31 0.00 133 P 0.00 4.40 0.00 2.29 2.18 0.00 3.71 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 1.98 2.02 0.00 134 R 8.04 4.67 0.00 1.82 1.84 0.00 3.39 0.00 0.00 3.23 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.64 0.00 135 G 8.57 3.90 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 0.00 0.00 0.00 136 T 8.57 3.99 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 1.23 0.00 0.00 137 I 7.61 4.25 1.79 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.83 0.77 0.00 0.00 138 R 8.54 4.43 0.00 1.78 1.92 0.00 3.35 0.00 0.00 3.15 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.55 0.00 139 E 7.53 4.46 0.00 1.54 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 1.47 1.99 0.00 140 C 8.38 4.58 0.00 2.89 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 0.00 141 L 8.83 5.21 0.00 1.57 1.56 0.72 0.45 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 0.00 142 Y 8.69 5.22 0.00 3.30 3.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 143 A 9.24 4.81 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 144 R 8.56 4.87 0.00 1.75 1.65 0.00 3.06 0.00 0.00 3.11 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.46 0.00 145 V 8.59 4.79 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 0.75 0.00 0.00 146 E 9.37 5.16 0.00 1.94 1.87 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 2.26 2.27 0.00 147 I 9.05 5.15 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 1.56 0.95 1.01 0.00 0.00 148 D 8.74 4.79 0.00 2.66 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 0.00 149 D 8.87 4.43 0.00 2.65 2.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 150 S 7.58 4.08 0.00 3.60 3.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 151 Y 7.83 5.41 0.00 2.98 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 0.00 152 F 9.03 5.52 0.00 3.29 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 0.00 153 K 9.36 4.97 0.00 1.83 1.67 0.00 1.63 0.00 0.00 1.49 0.00 0.00 2.93 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.29 1.37 7.81 154 V 9.05 4.79 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 0.46 0.00 0.00 1.03 0.00 0.00 155 D 8.75 5.23 0.00 2.50 2.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 156 F 8.76 5.01 0.00 2.97 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 0.00 157 L 8.84 5.25 0.00 0.41 0.89 0.80 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 158 T 8.58 4.62 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 1.34 0.00 0.00 159 R 8.45 4.17 0.00 1.85 2.05 0.00 3.48 0.00 0.00 3.24 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.73 0.00 160 D 7.81 4.63 0.00 2.69 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 H 8.40 4.40 0.00 3.42 3.67 0.00 5.61 0.00 0.00 0.00 0.00 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 162 E 7.87 4.76 0.00 2.03 1.87 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 2.50 2.25 0.00 163 V 8.25 4.07 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 0.80 0.00 0.00 0.94 0.00 0.00 164 Y 9.07 4.62 0.00 2.92 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 0.00 165 P 0.00 4.33 0.00 1.96 1.92 0.00 2.99 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.78 0.00 166 G 9.29 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 0.00 0.00 0.00 167 L 7.43 4.71 0.00 1.80 1.63 0.84 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 168 S 8.01 4.72 0.00 3.76 3.81 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 0.00 169 K 9.08 4.56 0.00 1.53 0.95 0.00 1.74 0.00 0.00 1.57 0.00 0.00 2.90 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.36 1.52 7.81 170 E 8.38 5.00 0.00 1.78 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 2.03 2.39 0.00 171 F 9.49 5.22 0.00 3.24 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 0.00 172 S 9.01 5.05 0.00 3.79 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173 R 8.15 4.23 0.00 1.58 1.60 0.00 2.21 0.00 0.00 2.88 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 1.08 0.00 * Residues marked with a * may have inaccurate shift predictions.