NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 7 L 4.2619 8.1849 120.6321 53.9016 43.2831 176.2879 8 P 4.4587 0.0000 0.0000 60.5163 32.2852 173.5495 9 P 4.4324 0.0000 0.0000 64.8039 32.5536 176.7131 10 G 3.6773 9.0818 111.4403 44.6579 0.0000 172.9118 11 W 4.8760 7.6385 118.9961 56.2751 30.2922 175.8510 12 E 4.6673 8.7085 121.2690 54.6171 33.6940 174.2930 13 K 4.4641 8.4150 122.6819 55.2913 34.3568 174.9463 14 A 4.5370 8.0072 126.1121 51.1600 23.4546 174.0414 15 M 4.9962 8.3160 117.5916 53.9869 34.8344 174.8025 16 S 4.7858 9.3019 121.6547 57.3927 63.4453 174.6918 17 R 3.9676 9.0195 128.0174 59.7161 30.2621 177.6681 18 S 4.3297 8.2421 112.2397 61.5840 63.0262 175.6568 19 S 4.2476 7.9519 114.5883 59.0536 63.0034 175.6824 20 G 3.9782 8.4943 106.4375 45.4180 0.0000 172.9054 21 R 4.8287 7.5309 117.8745 53.9583 33.2349 176.1271 22 V 4.5179 8.4978 115.3841 61.9801 32.8793 174.4699 23 Y 5.2960 8.3768 120.0116 56.2904 42.2465 172.9925 24 Y 5.4556 9.7308 116.2638 56.4093 42.1770 175.1567 25 F 5.6452 9.1163 116.1389 55.5272 42.2785 172.5252 26 N 4.8620 8.6758 119.8654 51.9556 40.3361 174.8304 27 H 4.7394 8.3775 121.3462 56.6861 29.5212 176.4406 28 I 4.0166 7.8788 121.7505 63.7252 37.4189 176.9231 29 T 4.1368 7.7672 108.5255 61.0374 69.4601 175.3115 30 N 4.4090 8.3325 118.4424 53.9122 36.9177 173.7003 31 A 4.3612 7.6024 120.5538 52.5302 19.6117 177.5729 32 S 5.4947 8.3454 113.2060 57.6464 65.9877 173.3857 33 Q 4.4721 8.9104 117.9578 55.4494 31.4012 175.2701 34 W 4.5618 8.8530 120.8979 59.5733 29.5513 176.8889 35 E 4.5142 8.0023 116.2251 54.7277 30.2691 175.8668 36 R 2.5100 7.9432 122.5213 54.7352 30.5395 174.8411 37 P 3.9814 0.0000 0.0000 61.7302 31.8901 175.4743 38 S 4.9644 7.9462 121.4237 57.9959 64.1285 175.9080 *51 E 4.1213 8.3056 127.2763 55.0858 29.7718 173.6767 52 P 4.4556 0.0000 0.0000 62.2686 32.0091 175.9926 53 A 4.1325 8.5683 121.6148 55.2041 18.3780 177.7368 54 R 5.1091 7.7128 112.7641 54.4409 33.4469 175.1821 55 V 4.3097 7.9512 113.9944 59.3348 35.5303 174.3947 56 R 4.8593 8.6940 122.9290 54.8389 32.4878 174.4703 57 C 5.0080 8.6906 122.3230 58.2762 32.7789 173.2074 58 S 5.5356 8.8651 117.9810 57.6378 65.4601 172.6363 59 H 5.9185 9.3895 116.8972 54.5312 32.4106 172.2009 60 L 4.6066 9.4464 120.2579 53.1512 45.0091 174.4818 61 L 4.9612 8.4526 128.0216 53.2401 44.9028 174.7809 62 V 4.7415 8.4635 126.3276 61.0588 33.3667 175.2986 63 K 4.6459 8.8209 128.1629 56.4810 33.4479 175.6555 64 H 4.9898 8.6430 116.5534 54.1575 31.5975 174.2650 65 S 4.2634 8.7334 113.3194 60.5519 62.8251 174.9239 66 Q 4.4765 8.0778 118.1705 55.3865 29.1917 175.7668 67 S 4.2391 7.4652 114.8366 58.7984 63.5423 174.3982 68 R 3.9841 8.8279 125.4993 59.0633 29.7350 177.0703 69 R 4.4455 7.5551 119.4018 53.7121 30.3404 173.2115 70 P 4.5887 0.0000 0.0000 59.9065 30.0923 175.7925 71 S 4.7145 7.3411 113.4028 58.4017 65.6332 173.7365 72 S 4.6469 8.5919 120.2374 56.6189 65.8208 174.6344 73 W 4.4389 8.8025 116.6067 59.0977 27.7694 177.3182 74 R 3.6273 7.1544 117.8843 57.8957 30.0448 177.1293 75 Q 4.4433 7.4637 115.3348 54.2887 32.9507 175.1841 76 E 3.8648 8.9670 124.2515 58.0944 30.0133 176.7041 77 K 4.6124 7.7068 118.6872 54.3383 34.5823 174.8620 78 I 4.1893 8.5077 128.5089 60.6638 37.6399 175.7577 79 T 4.5503 8.2703 113.9362 60.8098 70.3753 174.5458 80 R 4.2193 7.7269 120.2068 56.1816 30.3811 176.3383 81 T 4.3924 8.3821 111.0455 61.1856 70.8967 175.4412 82 K 3.6194 8.6532 123.1116 59.9606 31.9885 178.4643 83 E 3.9189 8.1037 118.6384 59.4355 29.6475 178.4560 84 E 3.9216 8.3535 118.4064 59.4513 29.4798 179.3127 85 A 3.9792 8.2242 120.8053 54.8001 18.3186 179.4229 86 L 3.8499 8.1872 119.3808 58.2159 42.0558 178.8812 87 E 3.8538 8.0801 119.3255 59.0732 29.4938 178.6285 88 L 3.5307 7.8381 119.0275 57.7648 41.5969 179.5997 89 I 3.7526 7.6958 119.4769 64.4981 36.9867 178.0479 90 N 4.3671 8.4429 117.7841 56.3910 38.4217 177.6219 91 G 3.4210 8.1178 107.0833 47.8745 0.0000 175.1832 92 Y 4.3700 7.6377 119.6797 60.9500 37.8564 178.5381 93 I 3.7809 8.0414 120.9140 64.9446 37.3147 178.1037 94 Q 4.0273 8.2999 118.5051 59.3042 28.6485 179.6110 95 K 4.1047 8.1299 119.1185 59.3689 32.1045 179.6333 96 I 4.3407 7.9142 121.6203 63.9066 36.8435 178.6723 97 K 4.1278 8.3006 118.9295 59.2424 32.0366 178.5103 98 S 4.2156 8.0333 112.0702 59.0280 63.1719 175.4232 99 G 4.0072 7.9746 108.9849 45.5128 0.0000 174.2533 100 E 4.1646 8.3643 119.6819 58.8908 29.7886 177.3576 101 E 4.8164 8.2414 116.4831 53.8320 33.7265 174.5143 102 D 5.1256 8.2930 120.8885 51.6197 42.9855 177.0138 103 F 3.8521 8.8750 122.7069 62.0934 39.1985 177.5546 104 E 4.1800 8.5373 117.2368 59.4354 29.1667 179.3113 105 S 4.0297 8.0617 113.1861 61.4561 62.5396 176.2933 106 L 4.0180 7.8499 121.1682 57.3787 41.2431 179.4682 107 A 3.8038 7.9228 121.1132 55.1531 18.3654 179.6406 108 S 4.2256 8.1847 113.8448 61.7717 62.6490 176.6761 109 Q 4.0997 7.3254 118.8320 56.6683 28.9502 176.4718 110 F 5.0103 7.7948 115.0248 56.7169 41.0039 175.4135 111 S 4.3690 8.1492 116.4011 58.4135 62.5445 173.4174 112 D 4.4720 9.1222 126.5767 54.8296 40.8504 175.7236 113 C 4.7279 7.9988 121.1860 57.7374 33.1939 174.7027 114 S 4.3234 8.7087 120.8401 60.8553 62.4386 176.1223 115 S 4.3343 8.1287 116.9199 59.6381 62.9082 175.3360 116 A 3.9983 8.2268 126.1012 55.5551 17.8586 179.5418 117 K 3.8934 7.3342 113.9486 58.6706 32.7072 177.4760 118 A 4.5527 8.0513 123.6261 51.8569 19.2036 177.1662 119 R 4.1930 8.3315 115.3655 58.3799 28.0515 178.0309 120 G 4.0773 8.3226 105.0983 45.4713 0.0000 173.7197 121 D 4.9279 8.0491 119.5529 53.7366 41.6077 175.8107 122 L 4.4802 8.6950 124.7726 53.6198 42.9732 177.8243 123 G 3.8885 8.5482 108.7215 44.3010 0.0000 172.7961 124 A 4.6869 8.3124 120.0110 51.6793 19.5770 177.0250 125 F 5.1651 8.6530 115.1465 55.8004 41.7797 173.2248 126 S 5.6439 8.7719 113.7111 56.1925 66.3094 173.6204 127 R 4.1244 8.3010 119.0390 57.5161 30.1688 176.5376 128 G 4.1463 9.1120 111.1669 46.3601 0.0000 175.5912 129 Q 4.1386 7.8747 117.2779 58.5449 29.1605 176.3521 130 M 4.2643 7.5497 115.1634 53.6599 33.6410 176.5572 131 Q 3.9737 8.4079 119.0518 56.5722 30.3430 178.1502 132 K 3.8874 8.8867 124.9852 59.6110 32.2159 177.1743 133 P 4.4114 0.0000 0.0000 65.3175 31.2343 178.4818 134 F 3.8395 8.1972 119.1733 61.1316 39.3939 176.2664 135 E 4.4075 8.5737 119.0502 59.9546 29.4373 178.4733 136 D 4.4555 8.7417 118.6660 57.4001 41.0013 178.8720 137 A 3.9389 7.8512 120.5303 55.2702 18.1925 179.7606 138 S 3.9437 7.8481 112.1841 61.9363 63.1044 176.9239 139 F 4.0947 8.5164 118.0883 59.5386 38.6988 177.0335 140 A 4.2343 7.8613 119.8651 53.2085 18.8647 177.8767 141 L 4.3477 7.1760 116.9528 54.6865 42.5432 177.0804 142 R 4.4004 9.4575 121.5567 54.7314 31.5423 176.1872 143 T 3.7923 8.2427 115.4967 65.8952 68.5550 174.8684 144 G 3.9253 9.2773 115.3107 45.1170 0.0000 173.1988 145 E 4.5022 8.0881 119.5774 55.7754 31.4041 174.9921 146 M 5.2232 8.4194 121.2285 53.7533 34.8812 175.5060 147 S 4.4182 8.9320 120.7724 58.0976 64.6996 174.2568 148 G 4.1700 8.2876 108.0470 44.2612 0.0000 171.0660 149 P 4.5517 0.0000 0.0000 63.2161 32.0277 176.1735 150 V 4.5196 8.6589 124.4140 61.0952 34.3266 174.0370 151 F 5.1440 9.2745 127.0895 56.6304 40.0128 175.1499 152 T 4.9038 9.1309 114.1768 59.5544 71.7839 174.3199 153 D 4.5767 8.6025 119.4705 57.3863 40.9848 179.1557 154 S 4.2835 8.1053 115.1238 59.1715 64.0713 175.4767 155 G 3.9076 6.2910 107.7002 45.8109 0.0000 171.2040 156 I 4.6409 7.8308 124.1623 59.7007 39.9834 174.7766 157 H 5.5495 9.2980 123.4691 54.1455 32.5819 172.8478 158 I 4.9720 8.7621 121.4390 59.8010 39.8815 174.8474 159 I 5.2004 8.6211 126.1437 59.4128 41.0456 174.2281 160 L 4.8038 8.5945 127.5684 53.0430 45.0065 175.1263 161 R 4.5068 8.5121 127.7319 56.3181 30.4774 176.5476 162 T 4.5518 9.6645 117.2868 62.2405 71.1029 174.6758 163 E 4.1538 7.6527 126.0071 56.4653 30.7271 174.8392 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 7 L 8.18 4.26 0.00 1.73 1.77 1.06 0.76 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 8 P 0.00 4.46 0.00 2.50 2.03 0.00 3.57 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 1.95 2.09 0.00 9 P 0.00 4.43 0.00 2.07 2.05 0.00 3.76 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.15 0.00 10 G 9.08 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 0.00 0.00 0.00 11 W 7.64 4.88 0.00 3.29 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 12 E 8.71 4.67 0.00 1.16 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 1.88 2.15 0.00 13 K 8.42 4.46 0.00 1.56 1.50 0.00 1.64 0.00 0.00 1.57 0.00 0.00 2.77 0.00 0.00 2.95 0.00 0.00 0.00 0.00 0.85 0.44 7.81 14 A 8.01 4.54 0.91 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 15 M 8.32 5.00 0.00 2.00 1.93 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.59 0.00 16 S 9.30 4.79 0.00 4.24 4.35 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 17 R 9.02 3.97 0.00 1.87 1.99 0.00 3.48 0.00 0.00 3.25 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.63 0.00 18 S 8.24 4.33 0.00 3.96 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 19 S 7.95 4.25 0.00 3.95 3.77 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 20 G 8.49 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 21 R 7.53 4.83 0.00 1.67 1.87 0.00 2.80 0.00 0.00 3.10 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.50 0.00 22 V 8.50 4.52 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 0.69 0.00 0.00 0.99 0.00 0.00 23 Y 8.38 5.30 0.00 3.09 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 24 Y 9.73 5.46 0.00 3.01 3.10 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 25 F 9.12 5.65 0.00 3.27 3.35 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 26 N 8.68 4.86 0.00 1.44 1.85 0.00 0.00 7.05 7.87 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 27 H 8.38 4.74 0.00 3.36 3.66 0.00 5.80 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 I 7.88 4.02 1.88 0.00 0.00 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 1.38 0.43 0.95 0.00 0.00 29 T 7.77 4.14 4.14 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 1.07 0.00 0.00 30 N 8.33 4.41 0.00 3.16 2.99 0.00 0.00 6.71 7.66 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 31 A 7.60 4.36 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 32 S 8.35 5.49 0.00 3.91 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 33 Q 8.91 4.47 0.00 2.36 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.84 0.00 0.00 0.00 0.00 0.00 2.48 2.56 0.00 34 W 8.85 4.56 0.00 3.47 3.43 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 35 E 8.00 4.51 0.00 1.90 1.81 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 2.31 2.44 0.00 36 R 7.94 2.51 0.00 1.32 1.51 0.00 3.22 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 1.20 1.08 0.00 37 P 0.00 3.98 0.00 1.38 0.73 0.00 2.73 0.00 0.00 2.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.44 0.00 38 S 7.95 4.96 0.00 3.78 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 *51 E 8.31 4.12 0.00 2.08 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.65 0.00 52 P 0.00 4.46 0.00 2.41 2.05 0.00 3.95 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 1.92 0.00 53 A 8.57 4.13 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 54 R 7.71 5.11 0.00 1.65 1.76 0.00 3.18 0.00 0.00 3.24 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.66 0.00 55 V 7.95 4.31 1.50 0.00 0.00 0.00 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 -0.47 0.00 0.00 56 R 8.69 4.86 0.00 1.70 1.74 0.00 3.14 0.00 0.00 3.14 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.65 0.00 57 C 8.69 5.01 0.00 3.30 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 58 S 8.87 5.54 0.00 3.69 4.02 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 59 H 9.39 5.92 0.00 3.67 3.68 0.00 5.52 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 L 9.45 4.61 0.00 1.18 1.32 0.33 0.44 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 61 L 8.45 4.96 0.00 1.76 1.43 0.85 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 62 V 8.46 4.74 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 0.93 0.00 0.00 1.09 0.00 0.00 63 K 8.82 4.65 0.00 1.64 1.65 0.00 1.67 0.00 0.00 1.86 0.00 0.00 2.95 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.68 1.34 7.81 64 H 8.64 4.99 0.00 3.40 3.40 0.00 5.46 0.00 0.00 0.00 0.00 6.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 S 8.73 4.26 0.00 4.03 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 66 Q 8.08 4.48 0.00 2.19 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.89 0.00 0.00 0.00 0.00 0.00 2.32 2.40 0.00 67 S 7.47 4.24 0.00 3.90 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 68 R 8.83 3.98 0.00 1.81 1.98 0.00 3.19 0.00 0.00 3.15 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.60 0.00 69 R 7.56 4.45 0.00 1.76 1.79 0.00 3.29 0.00 0.00 3.28 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.56 0.00 70 P 0.00 4.59 0.00 2.24 2.18 0.00 3.77 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 2.06 1.94 0.00 71 S 7.34 4.71 0.00 3.78 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 72 S 8.59 4.65 0.00 3.99 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 73 W 8.80 4.44 0.00 3.54 3.25 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 74 R 7.15 3.63 0.00 1.26 1.49 0.00 2.86 0.00 0.00 2.95 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.50 0.00 75 Q 7.46 4.44 0.00 1.98 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.89 6.80 0.00 0.00 0.00 0.00 0.00 2.22 2.19 0.00 76 E 8.97 3.86 0.00 1.91 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 2.30 2.25 0.00 77 K 7.71 4.61 0.00 1.68 1.61 0.00 1.81 0.00 0.00 1.69 0.00 0.00 2.96 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.29 1.40 7.81 78 I 8.51 4.19 1.84 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.90 0.88 0.00 0.00 79 T 8.27 4.55 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 1.20 0.00 0.00 80 R 7.73 4.22 0.00 2.09 2.08 0.00 3.14 0.00 0.00 3.37 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.63 0.00 81 T 8.38 4.39 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 1.20 0.00 0.00 82 K 8.65 3.62 0.00 1.66 1.83 0.00 1.73 0.00 0.00 1.88 0.00 0.00 2.96 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.62 1.35 7.81 83 E 8.10 3.92 0.00 2.07 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.40 0.00 84 E 8.35 3.92 0.00 2.21 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 2.30 2.31 0.00 85 A 8.22 3.98 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 86 L 8.19 3.85 0.00 1.94 1.91 1.01 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 87 E 8.08 3.85 0.00 2.04 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 2.21 2.29 0.00 88 L 7.84 3.53 0.00 1.75 1.37 0.85 0.38 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 89 I 7.70 3.75 1.94 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.92 0.91 0.00 0.00 90 N 8.44 4.37 0.00 2.86 2.84 0.00 0.00 6.97 7.17 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 91 G 8.12 3.42 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 0.00 92 Y 7.64 4.37 0.00 3.13 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 93 I 8.04 3.78 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 1.61 0.93 0.96 0.00 0.00 94 Q 8.30 4.03 0.00 2.22 2.18 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 2.39 2.63 0.00 95 K 8.13 4.10 0.00 2.07 1.93 0.00 1.77 0.00 0.00 1.72 0.00 0.00 3.00 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.50 1.65 7.81 96 I 7.91 4.34 2.11 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 1.72 2.14 1.07 0.00 0.00 97 K 8.30 4.13 0.00 1.86 1.93 0.00 1.74 0.00 0.00 1.80 0.00 0.00 3.08 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.54 1.57 7.81 98 S 8.03 4.22 0.00 4.04 4.11 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 0.00 0.00 0.00 0.00 99 G 7.97 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 0.00 0.00 0.00 100 E 8.36 4.16 0.00 2.14 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 0.00 2.38 2.33 0.00 101 E 8.24 4.82 0.00 2.04 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 2.28 2.46 0.00 102 D 8.29 5.13 0.00 2.94 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 0.00 103 F 8.87 3.85 0.00 3.25 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 0.00 104 E 8.54 4.18 0.00 2.29 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 2.47 2.58 0.00 105 S 8.06 4.03 0.00 3.86 4.02 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 0.00 106 L 7.85 4.02 0.00 1.66 1.45 0.98 0.93 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 0.00 107 A 7.92 3.80 1.30 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 0.00 0.00 108 S 8.18 4.23 0.00 3.95 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 0.00 109 Q 7.33 4.10 0.00 0.93 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.69 0.00 0.00 0.00 0.00 0.00 2.07 2.34 0.00 110 F 7.79 5.01 0.00 2.73 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 0.00 111 S 8.15 4.37 0.00 3.85 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 0.00 112 D 9.12 4.47 0.00 2.78 2.62 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 0.00 113 C 8.00 4.73 0.00 3.03 2.84 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 0.00 0.00 0.00 114 S 8.71 4.32 0.00 4.09 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 0.00 115 S 8.13 4.33 0.00 4.28 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 0.00 116 A 8.23 4.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.33 3.89 0.00 1.83 1.60 0.00 1.47 0.00 0.00 1.53 0.00 0.00 3.11 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.51 1.33 7.81 118 A 8.05 4.55 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 0.00 119 R 8.33 4.19 0.00 1.97 2.09 0.00 3.19 0.00 0.00 3.08 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.50 0.00 120 G 8.32 4.08 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 0.00 0.00 0.00 121 D 8.05 4.93 0.00 2.66 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 0.00 122 L 8.69 4.48 0.00 1.96 1.70 0.74 0.70 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 0.00 123 G 8.55 3.89 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 0.00 0.00 0.00 124 A 8.31 4.69 1.20 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 0.00 0.00 125 F 8.65 5.17 0.00 3.19 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 0.00 126 S 8.77 5.64 0.00 3.99 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 0.00 127 R 8.30 4.12 0.00 1.66 1.84 0.00 2.89 0.00 0.00 3.17 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.60 0.87 0.00 128 G 9.11 4.15 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 0.00 0.00 0.00 129 Q 7.87 4.14 0.00 2.14 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.77 0.00 0.00 0.00 0.00 0.00 2.42 2.56 0.00 130 M 7.55 4.26 0.00 1.59 1.86 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 1.67 0.00 131 Q 8.41 3.97 0.00 2.14 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.83 0.00 0.00 0.00 0.00 0.00 2.41 2.38 0.00 132 K 8.89 3.89 0.00 1.89 1.87 0.00 1.65 0.00 0.00 1.84 0.00 0.00 3.31 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.54 1.80 7.81 133 P 0.00 4.41 0.00 2.40 2.18 0.00 3.69 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.21 0.00 134 F 8.20 3.84 0.00 3.10 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 0.00 135 E 8.57 4.41 0.00 2.29 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.70 0.00 136 D 8.74 4.46 0.00 2.80 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 0.00 137 A 7.85 3.94 1.24 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 0.00 0.00 0.00 138 S 7.85 3.94 0.00 4.06 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 0.00 139 F 8.52 4.09 0.00 3.02 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 0.00 140 A 7.86 4.23 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 0.00 141 L 7.18 4.35 0.00 1.74 1.58 0.89 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 142 R 9.46 4.40 0.00 2.00 1.82 0.00 3.27 0.00 0.00 3.25 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.64 0.00 143 T 8.24 3.79 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 0.00 144 G 9.28 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 0.00 0.00 0.00 145 E 8.09 4.50 0.00 2.16 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 2.27 0.00 146 M 8.42 5.22 0.00 2.04 1.91 0.00 0.00 0.00 0.00 0.00 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.60 0.00 147 S 8.93 4.42 0.00 4.01 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 0.00 148 G 8.29 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 0.00 0.00 0.00 149 P 0.00 4.55 0.00 2.12 1.94 0.00 3.67 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 2.13 2.13 0.00 150 V 8.66 4.52 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 1.08 0.00 0.00 0.94 0.00 0.00 151 F 9.27 5.14 0.00 2.96 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 0.00 152 T 9.13 4.90 4.35 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 1.37 0.00 0.00 153 D 8.60 4.58 0.00 2.92 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 0.00 154 S 8.11 4.28 0.00 3.94 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 0.00 155 G 6.29 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 0.00 156 I 7.83 4.64 1.67 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 0.39 0.57 0.36 0.00 0.00 157 H 9.30 5.55 0.00 3.12 3.44 0.00 5.58 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 158 I 8.76 4.97 2.05 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 1.33 0.80 1.28 0.00 0.00 159 I 8.62 5.20 1.72 0.00 0.00 0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.80 0.82 0.00 0.00 160 L 8.59 4.80 0.00 0.63 0.49 0.79 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 161 R 8.51 4.51 0.00 1.85 1.85 0.00 3.02 0.00 0.00 3.23 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.54 0.00 162 T 9.66 4.55 4.19 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 0.00 0.00 0.00 1.16 0.00 0.00 163 E 7.65 4.15 0.00 1.89 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 2.24 2.23 0.00 * Residues marked with a * may have inaccurate shift predictions.