NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 56 W 4.6738 8.2749 120.6092 56.5215 30.4708 174.6125 57 R 4.2939 8.7628 121.5700 55.0410 30.1212 175.3092 58 R 4.6298 8.0701 123.6151 52.7154 31.5523 174.1364 59 P 4.2665 0.0000 0.0000 65.8974 31.5106 178.7077 60 S 4.0933 8.0137 114.1087 60.8246 63.0690 175.9809 61 L 3.9172 7.9012 123.3361 57.7492 41.9193 178.6558 62 A 4.0292 8.3732 121.1728 55.1507 18.3301 179.4382 63 Q 3.9358 8.3700 118.3223 59.1303 29.1174 178.1185 64 Q 3.9691 8.2692 120.8576 59.3651 29.1358 178.5532 65 R 4.0244 8.0374 118.4064 58.8447 30.0833 178.8579 66 A 4.0300 7.9293 121.0155 54.9358 18.2943 179.7005 67 R 3.8367 8.0315 117.3990 59.5794 29.9820 178.7346 68 R 3.8836 7.9171 117.2476 59.3456 30.1094 178.0593 69 A 4.1576 7.8227 119.9443 55.0296 18.4565 179.3674 70 Q 4.1129 7.9514 115.8888 58.0533 29.1491 177.2104 71 L 4.2990 7.2994 118.1471 53.3186 42.4317 175.0995 72 P 4.3867 0.0000 0.0000 62.1653 32.0039 174.9507 73 P 4.5679 0.0000 0.0000 63.4475 32.4736 174.9895 74 A 4.9616 8.3963 122.7484 51.7654 22.1293 174.8824 75 F 5.0172 8.1825 113.2743 55.6851 41.9168 173.1367 76 D 5.0244 8.7775 118.6821 52.4621 43.6571 176.2009 77 V 4.0580 8.5237 123.1396 61.3514 33.1465 174.2804 78 V 3.7306 7.9696 128.4525 60.6404 32.6427 175.7138 79 H 4.9821 7.6162 125.9895 54.4668 28.2537 173.7255 80 W 5.1348 7.6786 117.9183 57.2750 30.4890 177.1627 81 N 5.0773 10.0569 119.5890 51.8893 38.9334 174.4412 82 D 4.3789 8.3991 121.6816 56.7946 41.6245 177.7202 83 E 4.0870 8.2231 118.7529 59.0942 29.9954 176.6452 84 D 4.7620 8.1710 118.0114 52.2090 42.3542 175.0658 85 I 3.7519 8.1205 124.9711 64.0819 37.6841 178.2377 86 S 4.3316 8.2214 112.9343 60.4229 62.9409 174.8438 87 R 4.4840 8.4106 119.1228 56.3779 30.9180 176.6833 88 G 4.2180 7.9825 107.1499 46.4710 0.0000 172.6573 89 H 5.2206 8.9242 118.0161 54.5462 32.9300 172.0479 90 L 4.5677 8.3342 120.0854 53.1866 45.5952 174.2156 91 L 5.0362 8.5979 128.4606 53.3746 44.5295 174.8724 92 R 4.6634 8.7519 125.8942 54.4804 32.6015 175.3320 93 V 4.5374 7.8197 124.1840 60.8532 33.6028 174.3949 94 L 5.4380 8.8915 127.4012 54.3136 44.7004 174.7111 95 H 5.4565 9.0998 119.3259 54.5480 31.9891 173.2300 96 R 4.4319 8.9959 126.5018 55.8500 32.9527 174.5754 97 D 4.6370 9.7603 126.5696 55.8311 38.2382 174.7352 98 T 3.6754 7.9526 105.1698 62.2413 68.3407 171.4883 99 F 5.0063 8.0292 121.1414 56.0157 42.1991 174.6563 100 V 4.7375 8.3793 121.5104 61.8470 33.0752 174.7124 101 V 4.8441 9.1277 128.0815 61.0961 34.4044 174.1469 102 L 4.8939 9.0519 128.1764 53.4286 43.6869 175.4406 103 D 5.0494 8.9358 126.2485 52.9141 42.4055 175.1375 104 Y 4.5633 8.4469 126.5124 56.5560 40.2934 174.0316 105 H 5.2288 8.5708 123.7523 53.8236 32.7240 173.2884 106 R 4.7374 8.6039 118.2641 54.6933 32.1581 175.0968 107 Q 4.7209 8.6080 122.1165 56.3851 29.0268 175.5323 108 A 4.5636 8.9951 128.6593 53.5930 20.1043 177.2310 109 R 4.4935 7.3623 108.5979 54.8313 32.3229 174.6345 110 M 4.2959 8.3907 118.1997 55.3903 32.4205 177.8244 111 L 3.8736 8.9081 122.0369 56.9525 41.9159 178.7626 112 T 4.0253 7.6414 108.6227 63.4305 69.3345 174.7794 113 E 4.3141 7.4845 120.0383 54.8612 31.2604 175.1676 114 E 4.2512 8.2785 116.4623 56.0969 31.0235 175.9865 115 G 3.8253 8.5451 106.0083 44.3358 0.0000 172.8250 116 N 4.2625 8.2976 115.8098 53.8345 38.8327 175.8447 117 K 4.0222 8.5849 121.8622 57.8554 33.2570 176.4003 118 A 5.3088 7.8670 120.0335 49.9373 22.6550 174.8907 119 E 4.5995 8.9296 119.9140 54.1555 32.9151 174.9640 120 R 4.0732 8.7321 127.5954 56.5744 30.3790 175.5614 121 V 4.1815 8.5955 126.0841 64.0054 33.4579 175.9992 122 V 4.5304 7.1940 117.3984 60.2757 34.8720 173.3548 123 S 4.9608 8.5304 116.1990 56.5457 65.2821 172.9293 124 V 4.4187 8.9901 127.4214 61.5014 33.5975 173.9721 125 M 4.7534 8.7257 128.1172 54.1927 33.4228 175.4364 126 L 4.8139 9.1530 124.7966 52.1832 44.0531 175.0320 127 P 4.1434 0.0000 0.0000 62.1351 32.2955 176.9610 128 A 3.9749 8.4025 122.5851 55.6677 17.6536 180.5990 129 V 3.5679 7.7240 116.8216 65.0858 31.2780 177.8333 130 Y 4.1488 8.2140 116.8008 60.1907 37.6085 177.9681 131 T 3.8948 8.0203 117.4068 66.8455 68.5781 176.3064 132 A 4.0455 8.0101 121.8426 55.1200 17.8945 179.7412 133 R 3.9142 7.5983 113.8488 59.3803 30.0280 179.2838 134 F 3.9539 8.7409 117.8088 60.4080 38.8509 177.7401 135 L 3.9794 8.3589 118.6058 57.8354 41.3821 179.4619 136 A 4.0160 8.3533 120.9093 55.0093 18.2850 179.9821 137 V 4.0949 7.3719 117.0935 65.8052 31.5005 178.2923 138 L 3.3474 7.9119 117.5620 57.3785 41.5110 178.5288 139 E 4.4464 8.4248 116.0699 56.2405 29.8007 177.5148 140 G 4.0274 8.1708 107.8173 45.4457 0.0000 174.5522 141 R 4.1415 7.8325 119.4719 57.3927 30.8091 176.1003 142 S 4.8180 8.1083 111.6455 56.4265 64.8836 173.9518 143 E 4.4366 8.4635 123.6154 56.5816 30.0524 175.9787 144 K 4.6560 7.3465 117.5434 55.5892 36.0904 174.3936 145 V 4.5389 8.1248 124.5151 59.8927 34.5381 174.0155 146 E 5.0851 8.9247 122.8432 54.4795 32.2977 175.2725 147 V 4.3596 8.6619 124.2770 61.4476 33.8199 173.9350 148 H 5.4604 8.9158 124.7525 54.1990 31.6814 173.0818 149 S 4.5857 8.9352 117.1647 57.0289 66.1532 173.9052 150 R 3.7802 8.5562 119.6680 59.3109 29.7910 176.7436 151 Y 4.9229 7.5943 112.5315 58.2556 39.0826 174.8982 152 T 5.2515 8.1179 116.9154 61.8145 73.4858 172.6923 153 N 5.2746 9.0769 122.9389 51.9982 41.7545 172.7794 154 A 5.2009 9.0455 127.7437 50.4155 23.4936 174.4446 155 T 5.0574 8.7825 108.5563 59.8735 73.0853 172.7635 156 F 5.4344 8.9488 125.0873 56.8421 42.4123 173.6858 157 T 5.0328 8.2278 115.4642 59.0313 72.6276 171.5068 158 P 4.1648 0.0000 0.0000 62.7082 32.5771 175.4111 159 N 4.6593 8.2363 121.7864 51.5707 39.1605 174.0361 160 P 4.1691 0.0000 0.0000 65.1713 31.4518 177.3508 161 A 4.0752 7.8199 120.3165 53.8047 19.0155 177.1028 162 A 4.5255 7.6224 118.4175 49.9091 22.5927 174.3186 163 P 4.1592 0.0000 0.0000 63.9460 31.5714 175.4004 164 Y 3.7433 7.8677 115.6130 59.4541 35.5506 169.3970 165 T 4.9452 6.7280 106.7679 59.1211 72.7241 172.4339 166 F 5.1064 9.1876 119.6689 56.4643 44.4051 173.5394 167 T 5.1389 8.7986 116.7848 61.8367 72.2341 172.7913 168 L 5.2021 9.2756 128.6833 53.3878 44.2346 174.7501 169 K 4.7669 8.8074 127.8107 54.6796 35.0121 174.2910 170 C 4.8365 8.4956 126.5281 57.8834 35.8603 172.5515 171 T 4.8091 8.6800 120.5123 61.9840 71.2442 173.0423 172 S 5.5007 9.6330 123.6911 57.0113 65.6349 173.5747 173 T 5.2865 8.7827 113.1205 60.1794 71.8468 173.1127 174 R 4.5930 8.8475 121.9578 53.9187 34.2920 172.6297 175 P 4.9339 0.0000 0.0000 62.0765 30.9669 176.0619 *188 D 5.2229 8.2900 123.0625 54.4557 41.0756 174.7389 189 E 4.6311 8.2788 123.7342 55.6442 31.5901 175.4513 190 T 5.3010 8.2709 110.8577 60.4575 72.8316 173.1442 191 F 4.9020 9.4479 124.2475 57.6029 42.9375 172.4560 192 E 4.9622 8.4389 126.2731 54.6628 31.1207 175.4124 193 W 4.9586 8.3354 119.8441 55.5184 31.9667 173.6436 194 T 5.0204 8.3488 116.7405 61.9318 72.1360 173.4174 195 V 4.6045 9.0964 125.3714 61.2568 34.5728 174.0557 196 E 4.8833 9.0955 127.3580 55.5635 31.1796 175.6072 197 F 5.0297 9.7674 123.2078 55.9225 41.6665 175.7423 198 D 5.0915 9.6227 126.3860 52.5132 42.6104 176.8347 199 V 4.0469 8.7035 119.2311 64.8293 31.1250 178.0042 200 A 4.0012 8.1038 120.8785 55.0090 18.3697 179.3183 201 E 4.0939 9.0123 117.5066 59.6752 29.0533 179.8665 202 S 4.3825 8.8519 115.7506 61.6342 62.9318 176.4824 203 L 4.0647 8.0661 122.9951 58.3778 41.7337 178.8986 204 M 3.8125 8.3736 119.1005 58.1139 31.7151 178.4519 205 L 4.0527 8.0769 120.6089 58.2378 42.3079 178.8494 206 Q 3.9522 8.3812 119.7797 59.2856 28.9138 178.4582 207 R 3.9539 8.2414 119.3435 58.9250 30.0360 178.7743 208 F 4.0544 8.4750 120.8608 61.4312 39.3966 177.2952 209 L 4.0334 8.3834 118.7510 57.8656 41.3417 179.5735 210 T 3.8547 7.9846 115.7999 66.8541 68.3447 176.6523 211 Q 4.0451 8.2792 119.7953 58.7948 28.7090 178.5083 212 A 3.6306 8.0043 122.2479 55.0479 18.3544 179.4895 213 L 3.9483 8.2065 119.1015 58.3425 42.0319 178.5442 214 H 4.2090 8.2762 118.2258 59.7529 29.9151 176.9472 215 Y 3.8311 8.4839 118.6657 61.0019 37.8094 177.8214 216 N 4.4398 8.8295 118.3230 56.7993 38.8028 176.8176 217 T 4.1051 7.8308 116.2102 64.4234 68.9911 175.3383 218 G 3.9589 7.7416 108.3626 45.1347 0.0000 175.3219 219 F 4.1414 7.5524 118.1764 59.1187 38.8359 175.7516 220 A 4.4999 7.4733 121.5940 51.6257 19.6154 176.7799 221 R 4.1079 7.6715 120.6519 56.5380 30.0137 176.5258 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 56 W 8.27 4.67 0.00 3.30 3.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 R 8.76 4.29 0.00 1.98 1.96 0.00 3.16 0.00 0.00 3.24 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.74 0.00 58 R 8.07 4.63 0.00 1.86 1.83 0.00 3.11 0.00 0.00 3.33 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.69 0.00 59 P 0.00 4.27 0.00 2.27 2.34 0.00 3.80 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.06 0.00 60 S 8.01 4.09 0.00 4.07 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 0.00 61 L 7.90 3.92 0.00 1.69 1.88 0.93 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 62 A 8.37 4.03 1.40 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 0.00 0.00 0.00 63 Q 8.37 3.94 0.00 2.30 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.75 0.00 0.00 0.00 0.00 0.00 2.36 2.37 0.00 64 Q 8.27 3.97 0.00 2.29 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.59 0.00 0.00 0.00 0.00 0.00 2.36 2.41 0.00 65 R 8.04 4.02 0.00 1.95 1.97 0.00 3.19 0.00 0.00 3.18 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.89 0.00 66 A 7.93 4.03 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 67 R 8.03 3.84 0.00 2.02 2.10 0.00 3.10 0.00 0.00 3.10 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.64 0.00 68 R 7.92 3.88 0.00 1.87 2.09 0.00 3.33 0.00 0.00 3.24 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.66 0.00 69 A 7.82 4.16 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 70 Q 7.95 4.11 0.00 2.06 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.90 0.00 0.00 0.00 0.00 0.00 2.40 2.56 0.00 71 L 7.30 4.30 0.00 1.80 1.62 0.93 0.92 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 72 P 0.00 4.39 0.00 2.08 2.23 0.00 3.70 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.13 0.00 73 P 0.00 4.57 0.00 2.14 1.98 0.00 3.90 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.07 0.00 74 A 8.40 4.96 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 75 F 8.18 5.02 0.00 3.11 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 76 D 8.78 5.02 0.00 2.47 2.40 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 0.00 77 V 8.52 4.06 1.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.00 0.00 0.79 0.00 0.00 78 V 7.97 3.73 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 -0.20 0.00 0.00 0.66 0.00 0.00 79 H 7.62 4.98 0.00 2.65 2.88 0.00 5.69 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 0.00 0.00 0.00 80 W 7.68 5.13 0.00 3.28 2.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 N 10.06 5.08 0.00 2.74 2.91 0.00 0.00 7.36 8.21 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 82 D 8.40 4.38 0.00 2.70 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 83 E 8.22 4.09 0.00 1.92 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 2.31 2.39 0.00 84 D 8.17 4.76 0.00 2.71 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 85 I 8.12 3.75 1.88 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 1.46 0.62 0.95 0.00 0.00 86 S 8.22 4.33 0.00 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 0.00 87 R 8.41 4.48 0.00 2.14 2.10 0.00 3.39 0.00 0.00 3.28 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.75 0.00 88 G 7.98 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 0.00 0.00 0.00 89 H 8.92 5.22 0.00 2.86 3.38 0.00 5.23 0.00 0.00 0.00 0.00 6.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 L 8.33 4.57 0.00 0.86 1.16 0.61 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 91 L 8.60 5.04 0.00 1.86 1.35 1.16 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 92 R 8.75 4.66 0.00 1.70 1.66 0.00 3.00 0.00 0.00 3.03 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.39 0.00 93 V 7.82 4.54 0.67 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 0.63 0.00 0.00 0.55 0.00 0.00 94 L 8.89 5.44 0.00 1.77 1.90 0.92 0.86 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 95 H 9.10 5.46 0.00 3.25 3.28 0.00 5.71 0.00 0.00 0.00 0.00 6.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 R 9.00 4.43 0.00 1.81 1.72 0.00 3.28 0.00 0.00 3.16 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.60 0.00 97 D 9.76 4.64 0.00 3.01 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 98 T 7.95 3.68 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 1.24 0.00 0.00 99 F 8.03 5.01 0.00 3.06 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 0.00 100 V 8.38 4.74 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 0.80 0.00 0.00 1.07 0.00 0.00 101 V 9.13 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 1.07 0.00 0.00 0.94 0.00 0.00 102 L 9.05 4.89 0.00 1.76 1.76 1.00 0.75 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 0.00 103 D 8.94 5.05 0.00 2.53 2.48 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 0.00 104 Y 8.45 4.56 0.00 1.92 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 0.00 105 H 8.57 5.23 0.00 2.93 3.16 0.00 5.85 0.00 0.00 0.00 0.00 6.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 R 8.60 4.74 0.00 1.90 2.08 0.00 2.73 0.00 0.00 2.99 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.53 0.00 107 Q 8.61 4.72 0.00 2.41 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.89 0.00 0.00 0.00 0.00 0.00 2.34 2.18 0.00 108 A 9.00 4.56 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 R 7.36 4.49 0.00 2.02 1.78 0.00 3.05 0.00 0.00 3.17 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.47 0.00 110 M 8.39 4.30 0.00 2.02 1.95 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.51 0.00 111 L 8.91 3.87 0.00 1.56 1.57 0.92 -0.10 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 0.00 112 T 7.64 4.03 4.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 113 E 7.48 4.31 0.00 1.99 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 2.15 0.00 114 E 8.28 4.25 0.00 2.03 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 2.19 2.31 0.00 115 G 8.55 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 0.00 116 N 8.30 4.26 0.00 2.68 2.76 0.00 0.00 6.91 7.61 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 0.00 117 K 8.58 4.02 0.00 1.42 0.78 0.00 1.38 0.00 0.00 1.62 0.00 0.00 2.74 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.00 1.15 7.81 118 A 7.87 5.31 1.38 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 0.00 0.00 0.00 119 E 8.93 4.60 0.00 1.98 1.71 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 2.12 2.18 0.00 120 R 8.73 4.07 0.00 1.69 1.68 0.00 3.08 0.00 0.00 3.01 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.34 0.00 121 V 8.60 4.18 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 0.06 0.00 0.00 0.71 0.00 0.00 122 V 7.19 4.53 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 0.26 0.00 0.00 1.02 0.00 0.00 123 S 8.53 4.96 0.00 3.77 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 V 8.99 4.42 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 1.03 0.00 0.00 1.25 0.00 0.00 125 M 8.73 4.75 0.00 1.60 1.88 0.00 0.00 0.00 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.38 0.00 126 L 9.15 4.81 0.00 1.66 1.65 0.46 0.59 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 0.00 127 P 0.00 4.14 0.00 2.28 1.96 0.00 4.22 0.00 0.00 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.37 0.00 128 A 8.40 3.97 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 129 V 7.72 3.57 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 0.60 0.00 0.00 0.74 0.00 0.00 130 Y 8.21 4.15 0.00 3.30 3.30 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 0.00 0.00 0.00 0.00 131 T 8.02 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 1.23 0.00 0.00 132 A 8.01 4.05 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 133 R 7.60 3.91 0.00 2.26 2.06 0.00 2.91 0.00 0.00 3.16 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.64 0.00 134 F 8.74 3.95 0.00 3.05 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 0.00 135 L 8.36 3.98 0.00 1.88 1.75 0.95 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 136 A 8.35 4.02 1.40 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 0.00 0.00 0.00 137 V 7.37 4.09 2.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.99 0.00 0.00 138 L 7.91 3.35 0.00 1.71 1.59 0.84 0.64 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 0.00 139 E 8.42 4.45 0.00 2.04 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 2.36 2.47 0.00 140 G 8.17 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 0.00 141 R 7.83 4.14 0.00 1.81 2.10 0.00 3.20 0.00 0.00 3.16 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.62 0.00 142 S 8.11 4.82 0.00 3.87 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 0.00 143 E 8.46 4.44 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 2.25 2.21 0.00 144 K 7.35 4.66 0.00 1.69 1.59 0.00 1.73 0.00 0.00 1.74 0.00 0.00 2.98 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.22 1.24 7.81 145 V 8.12 4.54 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 -0.03 0.00 0.00 0.93 0.00 0.00 146 E 8.92 5.09 0.00 1.87 1.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.27 0.00 147 V 8.66 4.36 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 0.75 0.00 0.00 0.67 0.00 0.00 148 H 8.92 5.46 0.00 3.10 3.17 0.00 5.75 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 149 S 8.94 4.59 0.00 3.95 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 0.00 150 R 8.56 3.78 0.00 1.46 0.97 0.00 3.16 0.00 0.00 2.34 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.25 0.00 151 Y 7.59 4.92 0.00 3.14 3.08 0.00 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 189 E 8.28 4.63 0.00 1.95 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 2.38 2.32 0.00 190 T 8.27 5.30 4.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 191 F 9.45 4.90 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 0.00 192 E 8.44 4.96 0.00 1.73 1.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.23 0.00 193 W 8.34 4.96 0.00 2.53 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 0.00 0.00 0.00 0.00 194 T 8.35 5.02 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 1.28 0.00 0.00 195 V 9.10 4.60 2.41 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 0.81 0.00 0.00 1.45 0.00 0.00 196 E 9.10 4.88 0.00 1.95 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 2.34 2.32 0.00 197 F 9.77 5.03 0.00 3.29 3.36 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 0.00 198 D 9.62 5.09 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 0.00 199 V 8.70 4.05 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 1.04 0.00 0.00 1.00 0.00 0.00 200 A 8.10 4.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 201 E 9.01 4.09 0.00 2.35 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 0.00 2.42 2.52 0.00 202 S 8.85 4.38 0.00 4.42 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 0.00 203 L 8.07 4.06 0.00 1.99 1.87 0.91 0.98 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 0.00 204 M 8.37 3.81 0.00 1.18 1.79 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.80 2.39 0.00 205 L 8.08 4.05 0.00 2.12 1.89 1.07 0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 206 Q 8.38 3.95 0.00 2.22 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.59 0.00 0.00 0.00 0.00 0.00 2.36 2.56 0.00 207 R 8.24 3.95 0.00 1.81 1.94 0.00 3.33 0.00 0.00 3.07 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.75 0.00 208 F 8.47 4.05 0.00 3.05 3.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 209 L 8.38 4.03 0.00 1.76 1.73 0.88 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 210 T 7.98 3.85 4.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 211 Q 8.28 4.05 0.00 2.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.78 0.00 0.00 0.00 0.00 0.00 2.53 2.49 0.00 212 A 8.00 3.63 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 213 L 8.21 3.95 0.00 1.92 1.72 0.95 1.07 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 0.00 214 H 8.28 4.21 0.00 3.42 3.53 0.00 5.83 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 0.00 215 Y 8.48 3.83 0.00 2.99 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 0.00 216 N 8.83 4.44 0.00 2.98 2.84 0.00 0.00 7.25 7.15 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 0.00 217 T 7.83 4.11 4.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 218 G 7.74 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 0.00 219 F 7.55 4.14 0.00 2.63 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 220 A 7.47 4.50 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 0.00 221 R 7.67 4.11 0.00 1.87 1.83 0.00 3.11 0.00 0.00 3.22 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.53 0.00 * Residues marked with a * may have inaccurate shift predictions.