NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 9 A 4.4600 8.2649 123.5730 51.9829 20.5562 176.3852 10 R 4.3093 7.9449 121.9746 54.9970 32.9169 176.8503 11 N 5.1582 9.0384 126.5453 51.7052 42.0372 170.6392 12 P 5.3403 0.0000 0.0000 62.3268 32.4226 175.3693 13 I 4.2377 7.8873 114.7625 59.3198 39.3683 174.8683 14 Y 4.6932 8.1960 122.0566 55.7273 40.2089 176.1364 15 F 4.2743 9.4858 124.1292 61.6894 39.5196 177.5382 16 E 3.8466 8.3124 117.4194 58.9049 29.7244 178.9953 17 S 4.2169 8.0243 115.6649 60.9380 63.1221 174.8128 18 I 4.0126 7.1796 122.0583 60.7085 37.5277 175.2359 19 Q 4.4843 9.4934 123.6843 53.5846 30.8306 175.1117 20 I 3.7936 8.2130 122.0375 63.0999 37.5103 175.6014 21 G 4.0837 8.7958 113.4000 45.5726 0.0000 174.2289 22 E 4.1598 8.0941 119.9046 56.3305 30.4431 176.1069 23 K 5.1484 8.6570 124.4324 54.6785 35.4534 174.8316 24 I 4.5220 9.4898 128.1545 59.5217 39.8294 174.0525 25 E 4.6850 8.8217 128.1839 54.4219 30.4984 175.7149 26 G 3.9243 8.8646 115.2731 45.5360 0.0000 172.2544 27 L 4.3727 8.2574 122.8701 53.3960 42.7558 174.9795 28 P 4.8434 0.0000 0.0000 63.0066 32.3109 175.8637 29 R 4.7058 8.4631 117.5495 55.1480 33.3043 174.1137 30 T 4.7781 8.4662 118.8392 62.8715 69.1733 174.9398 31 V 3.9496 8.6307 128.0616 62.0162 32.2791 175.5403 32 T 4.8276 8.9790 117.9128 59.2921 70.9143 174.1768 33 E 4.0837 8.8275 123.2691 59.8217 29.4239 178.4966 34 T 3.9427 8.0179 115.1370 66.8718 68.4663 175.8920 35 D 4.3722 8.0084 119.9371 57.4797 40.8796 178.5891 36 I 3.7442 7.8935 120.0027 64.4495 37.2129 178.5448 37 W 3.2641 8.9124 119.9392 59.7493 28.7305 178.7195 38 T 3.7693 8.2094 116.0157 66.5864 67.9336 176.4209 39 F 3.9140 8.1894 122.2647 61.0987 39.3505 176.9361 40 A 3.6232 7.8641 120.6001 55.0961 17.9326 179.1156 41 Y 4.4064 8.0638 115.4049 61.4149 37.8248 178.4657 42 L 3.9407 7.9056 120.1561 58.0343 42.2126 178.2604 43 T 4.1212 7.4371 105.7935 60.2860 69.2880 174.1163 44 A 3.8447 7.5769 123.1888 53.4430 16.8289 176.8729 45 D 4.7661 7.7175 118.9326 54.4120 42.4414 176.5057 46 F 4.2687 8.4430 129.9503 55.7482 38.1720 176.3497 47 F 4.0421 8.1045 123.5056 57.2859 40.2943 173.8141 48 P 3.8282 0.0000 0.0000 65.5997 30.5605 178.1054 49 L 4.1892 7.1053 119.9981 57.5501 42.3457 177.8741 50 H 4.7049 8.2083 115.1075 56.8408 29.5286 175.8667 51 T 4.4082 7.6415 106.1160 60.7625 69.3064 173.1458 52 D 4.7720 8.2699 121.9883 52.0992 41.9473 175.9823 53 V 3.7451 8.7205 126.8593 66.2795 31.2533 177.4360 54 E 4.0612 8.2852 116.5011 59.3126 29.7981 178.6609 55 F 4.1871 8.8892 120.5760 61.2738 39.4393 176.8885 56 A 4.2577 8.4779 120.4672 55.3958 17.8981 179.5358 57 K 4.3498 7.5273 116.4010 58.7391 32.2233 178.1026 58 K 4.1909 7.6432 115.4056 56.7186 32.2323 176.6712 59 T 4.3686 7.6659 111.1534 59.7621 70.5154 175.3676 60 I 3.7356 8.0261 120.6150 62.7043 37.9663 176.0364 61 F 4.7108 8.0289 117.3545 57.6164 40.2249 176.6661 62 G 4.4064 8.4597 113.8090 45.2422 0.0000 173.6411 63 K 5.0114 7.8439 116.4554 53.1427 35.0598 173.8912 64 P 4.8210 0.0000 0.0000 62.7152 32.1345 175.2581 65 I 4.7590 7.5844 111.9578 58.6661 40.7350 174.8608 66 A 4.1159 8.4311 124.9562 51.7617 19.1706 177.6502 67 Q 3.5879 8.1267 118.9116 54.6526 30.3797 179.0914 68 G 2.7809 7.8716 111.8856 45.2047 0.0000 175.4595 *70 L 3.2162 8.1564 122.3136 54.2860 43.8841 178.7357 71 V 3.4748 7.3259 117.6323 65.7969 31.2239 177.7312 72 L 3.9405 8.0655 120.1188 58.2227 41.9716 179.0938 73 S 4.0882 7.8755 114.5311 61.8136 62.6465 176.6647 74 I 3.6762 7.8087 121.2243 64.1263 36.8261 178.1142 75 A 4.0715 7.8161 120.8089 55.2987 18.6139 179.2231 76 L 4.0105 8.1695 117.4428 57.6895 41.5918 180.5701 77 G 3.6998 7.9474 102.6154 45.3668 0.0000 175.3662 *79 V 3.9877 7.7429 122.4463 62.5527 33.4302 177.1189 80 D 4.2499 8.0786 118.6451 57.1312 40.7778 177.7859 81 Q 3.9808 8.0290 120.3733 59.1572 28.7108 178.7594 82 V 3.5922 7.3364 118.5253 65.9567 31.9304 177.8172 83 I 4.0464 7.7002 119.0789 64.5236 36.8394 178.0979 84 L 4.0749 8.3656 119.1482 57.2048 41.4786 178.2533 85 S 4.7032 7.4834 110.6548 58.1769 63.2161 173.9957 86 N 4.8158 8.0180 116.4454 53.0577 40.3750 173.6720 87 Y 5.0217 7.6529 114.2472 56.1991 42.9962 174.3823 88 D 4.5627 8.5867 121.0534 53.2293 42.1399 176.6040 89 V 3.9808 8.2952 119.6428 61.5792 31.5156 178.6169 90 S 4.1921 8.2388 117.4224 60.7743 63.0473 175.4917 91 S 4.1595 7.8099 114.9625 59.6271 63.3379 173.5460 92 V 4.1669 7.4100 121.5943 62.4804 30.1599 176.0235 93 I 4.0395 8.4039 128.3782 63.8115 37.3502 176.1927 94 A 4.6149 7.6985 120.9516 50.8174 22.8950 174.8248 95 F 4.8243 8.7883 122.2255 57.5906 39.1390 175.4134 96 F 4.0757 9.6177 129.5802 59.4023 39.4348 175.4088 97 G 3.9396 7.4880 100.1796 46.0676 0.0000 171.0011 98 I 5.1278 8.2774 119.8491 59.5887 39.2053 175.9592 99 K 4.3217 9.4277 129.0469 57.9777 33.4356 176.3196 100 D 4.5565 7.6900 118.1030 53.2428 44.6729 174.1570 101 V 4.7155 8.3596 125.2836 61.0917 34.5207 174.4268 102 R 4.3227 8.9456 126.8412 54.3617 33.1451 174.9355 103 F 4.6895 8.5421 123.4308 56.7064 38.5660 176.0125 104 L 4.2641 8.6868 123.6930 57.0901 41.7964 177.2822 105 R 4.9201 7.9117 117.4007 53.5757 33.1264 172.8641 106 P 4.3394 0.0000 0.0000 62.4841 32.8407 175.4376 107 V 4.2934 7.7649 121.1464 61.3341 33.4378 175.2818 108 F 4.8964 9.3358 127.3561 56.1852 40.1216 176.8918 109 I 3.7052 8.6947 123.1805 64.0238 36.8996 177.2999 110 G 4.0933 7.9984 106.1391 45.0794 0.0000 173.0605 111 D 4.8564 8.3177 120.6763 53.9519 42.0256 175.7354 112 T 4.9424 8.5161 118.0753 62.0094 70.9406 173.2372 113 I 4.6619 8.2700 120.3065 59.6065 40.2896 174.7295 114 A 4.9876 9.0823 125.1752 50.2672 22.3214 174.9038 115 A 5.4257 8.6708 123.2806 50.2048 22.6984 175.2685 116 S 5.1809 9.1863 113.4626 56.6662 66.9454 172.8088 117 A 5.3755 9.1548 123.2077 50.2691 22.4732 174.5865 118 E 5.1327 9.0630 121.6133 54.1077 33.5394 174.8882 119 V 3.7392 8.9567 127.6464 63.1787 31.9755 176.3870 120 V 4.4413 8.3705 120.3915 61.2321 33.8327 175.3038 121 E 4.7207 7.5397 119.7739 55.0566 33.0661 173.7915 122 K 5.2191 8.3776 123.1628 55.1029 36.2624 175.7123 123 Q 4.6861 9.2352 122.7262 53.9770 33.1229 174.3240 124 D 4.5089 8.9564 122.8532 54.6864 41.7877 174.5891 125 F 4.6402 8.6223 123.8315 59.2414 41.6838 174.2339 126 D 4.5151 7.9065 117.4803 52.3040 41.7603 175.0759 127 E 4.2099 8.7226 115.9015 58.2725 29.9016 177.2414 128 K 4.5124 8.2646 118.3778 56.1616 33.8136 175.1063 129 S 4.8788 7.5952 111.5531 57.7470 66.7130 174.1408 130 G 3.3206 8.1406 106.5730 44.3552 0.0000 171.6523 131 V 4.6099 8.2777 114.1037 59.4447 33.8807 175.2750 132 V 4.8188 8.8554 125.2364 61.4255 34.0554 174.2039 133 T 4.9439 8.6650 124.4516 62.0339 71.0264 173.0215 134 Y 4.8828 9.1773 124.0806 55.9167 41.7267 174.4817 135 K 4.8212 9.0658 124.1250 54.8638 34.2899 174.5971 136 L 5.2415 9.4335 131.0590 53.9056 44.1653 174.9465 137 E 5.1199 9.3890 125.0464 54.5953 33.6805 174.5587 138 V 4.8611 8.8374 124.1387 61.0309 34.3579 174.4024 139 K 5.2739 9.2301 127.1448 54.6833 36.2091 175.7322 140 N 5.2832 8.9850 121.0381 50.5866 39.8419 175.6091 141 Q 4.0876 8.8860 115.9221 58.7063 28.1236 177.8235 142 R 4.3878 8.3092 115.4573 55.7852 29.8578 178.4414 143 G 4.0127 8.2043 107.3826 46.8452 0.0000 175.0204 144 E 3.9877 7.7177 119.5635 56.1660 29.9708 176.0676 145 L 4.6636 8.3597 124.7880 54.6743 42.2358 176.3336 146 V 4.2323 8.7763 121.1088 62.9791 33.3645 176.1764 147 L 5.1824 7.6145 120.2887 53.9065 45.8966 174.6292 148 T 5.1800 8.6437 118.0069 60.8130 71.2970 172.2311 149 A 5.6263 8.7569 127.0659 52.0042 23.8115 174.7205 150 L 5.3036 8.5296 120.6698 53.5403 44.9742 174.8516 151 Y 5.6469 8.8881 123.7580 55.5134 42.3296 174.2464 152 S 5.3980 9.8708 114.1565 56.8327 67.0251 172.6303 153 A 5.3169 9.2789 123.0538 50.2124 22.6967 174.8537 154 L 4.7916 8.9384 123.3330 53.6496 43.5830 175.3354 155 I 4.9093 8.3278 120.4260 58.6099 40.7872 175.2161 156 R 4.5927 9.1631 125.4708 56.8572 31.1102 175.6608 157 K 5.1690 8.5300 124.2791 54.4449 33.8492 176.9745 158 T 2.8006 8.3155 120.0627 63.0504 68.9412 172.8539 159 P 4.3582 0.0000 0.0000 63.0384 31.4961 176.0920 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 9 A 8.26 4.46 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 10 R 7.94 4.31 0.00 1.85 1.12 0.00 3.31 0.00 0.00 3.14 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.53 0.00 11 N 9.04 5.16 0.00 2.89 2.74 0.00 0.00 6.65 7.71 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 12 P 0.00 5.34 0.00 1.59 1.91 0.00 3.44 0.00 0.00 4.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 1.85 0.00 13 I 7.89 4.24 1.58 0.00 0.00 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.47 0.22 0.00 0.00 14 Y 8.20 4.69 0.00 3.13 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 15 F 9.49 4.27 0.00 3.16 3.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 E 8.31 3.85 0.00 2.13 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 2.29 0.00 17 S 8.02 4.22 0.00 3.99 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 18 I 7.18 4.01 1.65 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.71 0.76 0.00 0.00 19 Q 9.49 4.48 0.00 2.06 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.12 6.91 0.00 0.00 0.00 0.00 0.00 2.34 2.22 0.00 20 I 8.21 3.79 1.79 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 1.21 0.40 0.92 0.00 0.00 21 G 8.80 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 22 E 8.09 4.16 0.00 1.96 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.51 0.00 23 K 8.66 5.15 0.00 1.73 1.65 0.00 1.75 0.00 0.00 1.73 0.00 0.00 2.92 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.33 1.64 7.81 24 I 9.49 4.52 1.92 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 1.20 0.71 0.94 0.00 0.00 25 E 8.82 4.68 0.00 1.95 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 2.21 2.36 0.00 26 G 8.86 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 0.00 0.00 0.00 27 L 8.26 4.37 0.00 1.61 1.58 0.92 0.94 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 28 P 0.00 4.84 0.00 1.98 1.97 0.00 3.73 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.09 0.00 29 R 8.46 4.71 0.00 1.84 1.96 0.00 2.76 0.00 0.00 3.15 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.60 0.00 30 T 8.47 4.78 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 31 V 8.63 3.95 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 0.73 0.00 0.00 0.89 0.00 0.00 32 T 8.98 4.83 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 33 E 8.83 4.08 0.00 2.04 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.10 0.00 34 T 8.02 3.94 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 1.25 0.00 0.00 35 D 8.01 4.37 0.00 2.98 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 36 I 7.89 3.74 2.31 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.08 0.69 0.00 0.00 37 W 8.91 3.26 0.00 3.37 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 38 T 8.21 3.77 4.44 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 1.28 0.00 0.00 39 F 8.19 3.91 0.00 3.14 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 40 A 7.86 3.62 0.15 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 41 Y 8.06 4.41 0.00 3.11 2.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 L 7.91 3.94 0.00 1.63 1.62 0.89 1.09 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 43 T 7.44 4.12 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.33 0.00 0.00 44 A 7.58 3.84 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 D 7.72 4.77 0.00 2.63 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 46 F 8.44 4.27 0.00 2.98 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 47 F 8.10 4.04 0.00 3.23 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 48 P 0.00 3.83 0.00 0.49 1.63 0.00 2.28 0.00 0.00 3.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 0.80 0.00 49 L 7.11 4.19 0.00 1.91 1.71 0.97 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 0.00 0.00 0.00 0.00 0.00 0.00 50 H 8.21 4.70 0.00 3.06 3.09 0.00 5.65 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 51 T 7.64 4.41 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 -0.29 0.00 0.00 52 D 8.27 4.77 0.00 2.62 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 53 V 8.72 3.75 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 1.05 0.00 0.00 54 E 8.29 4.06 0.00 2.15 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 2.36 2.46 0.00 55 F 8.89 4.19 0.00 3.07 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 56 A 8.48 4.26 1.51 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 0.00 0.00 57 K 7.53 4.35 0.00 1.96 1.92 0.00 1.69 0.00 0.00 1.58 0.00 0.00 3.07 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.52 1.61 7.81 58 K 7.64 4.19 0.00 1.51 1.69 0.00 1.53 0.00 0.00 1.66 0.00 0.00 3.01 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.39 1.29 7.81 59 T 7.67 4.37 4.39 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 1.26 0.00 0.00 60 I 8.03 3.74 1.66 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.65 0.06 0.00 0.00 61 F 8.03 4.71 0.00 3.26 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 62 G 8.46 4.41 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 0.00 0.00 0.00 63 K 7.84 5.01 0.00 1.97 1.88 0.00 1.78 0.00 0.00 1.79 0.00 0.00 2.86 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.31 1.15 7.81 64 P 0.00 4.82 0.00 2.33 2.20 0.00 3.85 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 2.15 2.11 0.00 65 I 7.58 4.76 1.44 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.45 0.14 0.00 0.00 66 A 8.43 4.12 1.11 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 0.00 0.00 67 Q 8.13 3.59 0.00 1.47 1.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 7.18 0.00 0.00 0.00 0.00 0.00 2.24 1.54 0.00 68 G 7.87 2.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *70 L 8.16 3.22 0.00 0.50 1.36 0.71 0.69 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 71 V 7.33 3.47 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 0.91 0.00 0.00 0.86 0.00 0.00 72 L 8.07 3.94 0.00 1.99 1.67 0.90 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 73 S 7.88 4.09 0.00 3.97 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 74 I 7.81 3.68 1.80 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 1.42 0.55 0.88 0.00 0.00 75 A 7.82 4.07 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 L 8.17 4.01 0.00 1.56 1.46 0.86 0.33 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 77 G 7.95 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *79 V 7.74 3.99 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 0.92 0.00 0.00 0.98 0.00 0.00 80 D 8.08 4.25 0.00 2.83 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 81 Q 8.03 3.98 0.00 2.34 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.59 0.00 0.00 0.00 0.00 0.00 2.34 2.36 0.00 82 V 7.34 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 0.91 0.00 0.00 0.97 0.00 0.00 83 I 7.70 4.05 2.02 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.78 1.01 0.00 0.00 84 L 8.37 4.07 0.00 1.85 1.74 0.91 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 85 S 7.48 4.70 0.00 3.88 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 86 N 8.02 4.82 0.00 2.28 1.99 0.00 0.00 6.65 6.77 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 87 Y 7.65 5.02 0.00 2.79 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 88 D 8.59 4.56 0.00 2.98 2.60 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.30 3.98 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 0.80 0.00 0.00 0.93 0.00 0.00 90 S 8.24 4.19 0.00 3.99 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 91 S 7.81 4.16 0.00 3.83 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 92 V 7.41 4.17 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 0.74 0.00 0.00 0.89 0.00 0.00 93 I 8.40 4.04 2.04 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 1.19 0.86 0.94 0.00 0.00 94 A 7.70 4.61 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 95 F 8.79 4.82 0.00 3.03 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 96 F 9.62 4.08 0.00 3.17 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 97 G 7.49 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 98 I 8.28 5.13 1.86 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 1.43 0.50 1.02 0.00 0.00 99 K 9.43 4.32 0.00 1.77 1.86 0.00 1.88 0.00 0.00 1.68 0.00 0.00 2.80 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.43 1.42 7.81 100 D 7.69 4.56 0.00 2.80 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 0.00 101 V 8.36 4.72 1.82 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 0.21 0.00 0.00 0.87 0.00 0.00 102 R 8.95 4.32 0.00 1.61 1.71 0.00 3.13 0.00 0.00 3.14 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.62 0.00 103 F 8.54 4.69 0.00 2.95 2.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 L 8.69 4.26 0.00 1.81 1.75 0.93 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 105 R 7.91 4.92 0.00 1.81 1.78 0.00 3.38 0.00 0.00 3.34 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.66 0.00 106 P 0.00 4.34 0.00 1.34 1.73 0.00 3.88 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 1.92 2.24 0.00 107 V 7.76 4.29 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 1.04 0.00 0.00 0.86 0.00 0.00 108 F 9.34 4.90 0.00 3.32 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 0.00 109 I 8.69 3.71 1.98 0.00 0.00 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 1.45 0.59 0.96 0.00 0.00 110 G 8.00 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 0.00 0.00 0.00 0.00 111 D 8.32 4.86 0.00 2.77 2.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 T 8.52 4.94 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 1.22 0.00 0.00 113 I 8.27 4.66 1.86 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 1.27 0.68 0.90 0.00 0.00 114 A 9.08 4.99 1.21 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 0.00 0.00 115 A 8.67 5.43 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 0.00 116 S 9.19 5.18 0.00 3.86 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 0.00 117 A 9.15 5.38 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 0.00 118 E 9.06 5.13 0.00 2.04 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 2.16 2.33 0.00 119 V 8.96 3.74 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 0.57 0.00 0.00 0.72 0.00 0.00 120 V 8.37 4.44 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 0.72 0.00 0.00 0.88 0.00 0.00 121 E 7.54 4.72 0.00 1.94 1.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.30 0.00 122 K 8.38 5.22 0.00 1.53 1.56 0.00 1.56 0.00 0.00 1.43 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.13 1.28 7.81 123 Q 9.24 4.69 0.00 1.95 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.96 0.00 0.00 0.00 0.00 0.00 2.29 2.36 0.00 124 D 8.96 4.51 0.00 2.73 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 0.00 125 F 8.62 4.64 0.00 2.68 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 0.00 126 D 7.91 4.52 0.00 2.77 2.54 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.72 4.21 0.00 2.09 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 0.00 2.28 2.27 0.00 128 K 8.26 4.51 0.00 2.02 1.87 0.00 1.73 0.00 0.00 1.73 0.00 0.00 2.95 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.37 1.35 7.81 129 S 7.60 4.88 0.00 3.95 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 0.00 130 G 8.14 3.32 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 0.00 131 V 8.28 4.61 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 -0.35 0.00 0.00 0.74 0.00 0.00 132 V 8.86 4.82 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.43 0.00 0.00 1.09 0.00 0.00 133 T 8.67 4.94 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 1.21 0.00 0.00 134 Y 9.18 4.88 0.00 1.43 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 0.00 135 K 9.07 4.82 0.00 1.75 1.67 0.00 1.61 0.00 0.00 1.58 0.00 0.00 2.80 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.37 1.37 7.81 136 L 9.43 5.24 0.00 2.12 1.77 1.08 0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 137 E 9.39 5.12 0.00 1.91 1.79 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 2.23 2.24 0.00 138 V 8.84 4.86 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 1.13 0.00 0.00 0.94 0.00 0.00 139 K 9.23 5.27 0.00 1.68 1.66 0.00 1.72 0.00 0.00 1.83 0.00 0.00 2.92 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.35 1.35 7.81 140 N 8.98 5.28 0.00 2.87 3.00 0.00 0.00 6.61 7.01 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 0.00 141 Q 8.89 4.09 0.00 2.24 2.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.66 7.06 0.00 0.00 0.00 0.00 0.00 2.44 2.34 0.00 142 R 8.31 4.39 0.00 2.03 2.18 0.00 2.92 0.00 0.00 3.20 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.65 0.00 143 G 8.20 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 0.00 144 E 7.72 3.99 0.00 2.21 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 2.44 0.00 145 L 8.36 4.66 0.00 1.60 1.61 1.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 146 V 8.78 4.23 2.23 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 0.76 0.00 0.00 0.98 0.00 0.00 147 L 7.61 5.18 0.00 1.74 1.45 1.10 0.60 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 0.00 148 T 8.64 5.18 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 1.17 0.00 0.00 149 A 8.76 5.63 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 0.00 150 L 8.53 5.30 0.00 1.77 1.54 0.96 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 151 Y 8.89 5.65 0.00 3.56 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 0.00 152 S 9.87 5.40 0.00 3.96 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 0.00 153 A 9.28 5.32 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 0.00 154 L 8.94 4.79 0.00 1.69 1.57 0.53 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 155 I 8.33 4.91 1.91 0.00 0.00 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 1.32 0.94 0.98 0.00 0.00 156 R 9.16 4.59 0.00 2.05 1.94 0.00 3.21 0.00 0.00 3.23 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.94 0.00 157 K 8.53 5.17 0.00 1.74 1.93 0.00 1.85 0.00 0.00 1.60 0.00 0.00 3.04 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.73 1.30 7.81 158 T 8.32 2.80 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 0.75 0.00 0.00 159 P 0.00 4.36 0.00 2.13 2.00 0.00 3.05 0.00 0.00 3.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.89 0.00 * Residues marked with a * may have inaccurate shift predictions.