NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 20 Q 4.2500 8.3331 119.6836 55.6582 30.1028 174.7507 21 G 3.7746 8.4922 109.8356 45.9384 0.0000 170.7228 22 H 5.6052 8.5153 116.7376 53.9993 32.6235 171.6749 23 H 5.0917 8.5671 116.0394 53.7924 31.3705 173.3365 24 I 4.2131 8.3914 121.6214 61.6594 37.2851 175.5091 25 I 4.2462 8.6365 127.1736 62.6578 39.1199 175.7460 26 G 4.2207 7.5240 106.3337 46.2652 0.0000 172.1945 27 I 5.2059 7.9364 112.6178 59.0329 41.3756 174.6166 28 G 4.2975 8.9070 109.2732 45.1050 0.0000 171.5021 29 T 5.2454 8.3975 116.3752 60.3703 70.9935 172.3437 30 D 4.8247 9.0612 125.0744 52.9562 45.2299 173.6170 31 I 4.9948 8.3903 124.6426 59.2428 40.9583 174.0771 32 L 4.7876 8.9923 129.7619 53.6901 46.3325 173.9108 33 C 4.8833 8.5119 125.4302 58.0090 32.7759 174.1505 34 V 3.6612 9.1528 128.3816 65.6156 31.0222 177.5569 35 N 4.2372 7.8321 115.9581 56.6524 38.5527 176.6383 36 R 3.8572 7.7603 119.7297 59.1565 30.0895 178.6190 37 I 3.5720 7.4285 119.3418 64.0767 37.2308 177.0969 38 Y 4.0900 8.2975 120.9570 61.0651 38.2971 178.7813 39 K 4.0653 7.8909 117.5145 59.3780 32.5525 179.0973 40 I 3.6039 7.2813 120.2684 64.3626 36.8531 178.5195 41 L 4.1066 7.9039 120.0249 57.4680 41.2642 179.2495 42 E 3.8831 7.9983 116.9474 57.9625 29.5544 178.1532 43 K 4.4900 7.1210 116.2184 56.1912 34.9594 176.5826 44 N 4.9391 7.6499 117.6850 51.3910 40.4482 174.1698 45 I 3.6833 7.8590 121.9903 63.8014 38.2965 175.9876 46 N 4.4203 8.3675 117.0561 55.8088 38.7841 176.0988 47 F 4.1944 8.4560 122.9018 61.6925 39.3215 177.2714 48 I 3.6586 7.7732 112.1445 63.6451 36.9472 178.1139 49 K 4.1681 8.0743 119.8049 58.4680 32.0722 178.6889 50 K 3.9795 7.5992 119.3382 58.8914 32.1047 177.8004 51 V 3.7765 7.0794 117.0667 64.4820 32.2041 175.9861 52 L 4.4838 7.8616 119.4457 53.6778 42.4905 176.3504 53 N 4.6910 9.4665 121.7533 52.0772 39.9038 173.8358 54 P 4.1701 0.0000 0.0000 66.1532 31.4276 178.9714 55 F 4.4461 8.0265 116.1509 60.4060 38.7267 177.6889 56 E 4.1816 8.7031 119.0260 59.1507 29.3719 178.7060 57 L 4.0076 8.1007 119.7400 58.3587 41.6457 178.5876 58 A 4.0504 7.9984 120.4692 55.4220 18.0588 179.2850 59 E 3.9715 7.9446 116.1615 59.1108 29.8031 178.4485 60 F 4.0290 8.5426 120.3187 61.4203 39.5574 176.7599 61 E 4.0171 8.7044 117.1872 58.1670 30.5604 178.4939 62 T 4.4357 6.9546 109.8602 58.7076 66.2201 174.8726 63 Q 4.1995 7.8480 129.9652 56.6526 28.7235 177.5329 *75 N 4.8158 9.0985 126.9376 54.5758 40.7458 175.2727 76 E 4.0799 8.1321 116.9801 59.4725 29.4451 179.1288 77 L 4.1375 8.0460 119.8480 57.7834 42.2656 179.0240 78 K 4.2119 8.1245 118.2775 59.4309 32.2186 179.2604 79 K 4.1164 8.2397 118.8438 59.3311 31.9157 179.1486 80 L 3.8422 8.2297 120.4100 58.1904 42.0415 178.8045 81 A 4.1054 8.4823 121.0242 55.2820 18.2654 179.7896 82 I 3.7097 8.0156 118.2237 64.6013 37.3333 177.8801 83 Y 3.9946 8.0029 120.1508 60.9073 38.6212 178.3296 84 V 3.5322 8.2620 119.4268 66.1712 31.3214 178.1456 85 S 4.2000 8.2468 114.9656 61.3834 62.6391 176.8642 86 K 4.0118 8.0412 121.1871 59.3487 31.8579 179.2810 87 K 3.7614 7.6294 118.5874 59.5505 31.9064 179.0384 88 F 3.8696 8.5977 120.6437 61.1846 39.3901 177.0090 89 A 4.4740 8.6443 121.5324 54.6687 18.1436 179.2245 90 A 3.9316 7.9692 119.3075 55.5744 18.4049 180.0458 91 K 3.8946 8.0967 116.5139 59.0087 32.0440 179.5918 92 E 3.7562 8.2347 119.2923 59.1986 29.3033 178.9451 93 A 3.9626 7.9773 120.7164 55.3032 18.2887 179.6224 94 I 3.6018 7.9153 118.3112 64.7113 37.3571 178.7277 95 L 3.9789 8.0164 119.7003 57.7111 41.4140 179.7713 96 K 4.3613 8.5904 120.3157 58.8826 31.5913 179.5007 97 S 4.5059 8.3580 115.9084 60.5096 62.5168 175.3291 98 M 4.5629 7.3675 121.1666 54.8933 31.9083 176.9073 99 G 3.9867 8.0008 106.9562 45.6251 0.0000 175.2408 100 R 4.3249 7.4874 122.3912 55.5548 30.5443 175.5882 *110 L 4.0825 8.1563 121.9522 55.8057 43.1155 175.8939 111 S 4.7814 8.0869 116.0763 56.7956 64.9629 175.4925 112 M 4.0222 8.6752 124.9743 58.4156 31.6567 177.8695 113 N 4.5056 8.0414 114.3127 54.4291 38.0528 175.6050 114 D 4.8218 8.2039 118.9942 54.7681 41.3010 175.1989 115 I 5.0217 7.7955 121.3270 59.4361 39.2785 174.5195 116 E 4.9489 9.6601 128.7341 54.5818 31.8616 174.3176 117 I 5.0320 9.3999 128.3255 59.5407 39.2820 175.1129 118 K 4.7602 9.0322 127.6135 54.6598 35.4230 175.1303 119 N 5.2952 8.9317 124.3914 53.1763 40.3415 174.9374 120 D 4.7550 9.0172 122.7514 51.7288 41.3958 177.2728 121 K 3.8729 8.2875 117.3681 59.5152 32.3819 177.0973 122 Y 4.4662 7.9275 115.7423 57.6861 38.0875 175.7465 123 G 3.9187 8.2771 108.0795 46.0130 0.0000 173.2673 124 K 4.4631 8.6019 122.5673 54.5473 33.2789 174.2810 125 P 5.0980 0.0000 0.0000 62.4412 32.4831 175.2228 126 H 4.9102 9.3422 119.3134 53.9171 32.8165 172.5501 127 V 4.7427 7.7828 119.8574 61.3287 33.7236 174.3713 128 Y 4.6978 8.9298 124.4026 56.1285 41.8046 174.4360 129 L 5.2448 8.2941 121.6584 53.3381 45.4865 175.0439 130 Y 4.6080 8.4193 117.7260 56.5523 42.9692 176.1670 131 G 3.8029 8.9843 108.2800 46.5269 0.0000 176.0962 132 K 3.9787 8.6744 118.9217 59.3229 32.2082 178.9874 133 A 3.9739 7.9742 120.8550 55.0271 18.4024 179.2816 134 K 3.8800 8.0259 118.1901 59.3507 32.1909 179.0319 135 K 3.9724 7.9059 119.4877 59.5205 32.0296 178.9090 136 V 3.6162 7.9095 117.2600 65.9348 31.6923 177.6396 137 A 4.0951 8.1676 120.3536 55.2806 18.3130 178.5393 138 Y 4.0935 7.9502 118.1372 61.3581 38.6282 178.5863 139 E 3.9252 8.2204 116.7875 58.7296 29.6310 178.4270 140 M 4.2622 7.6650 117.4858 55.8958 32.0579 177.1591 141 G 3.8636 7.9921 108.0482 44.8267 0.0000 173.1284 142 I 4.3265 7.3610 120.9471 61.4102 37.3355 175.9422 143 V 4.3351 8.1863 118.3911 61.4290 33.3744 175.9944 144 K 4.2861 7.4935 119.6738 55.2377 35.5404 173.8851 145 I 4.8922 7.9039 126.8199 59.4675 39.5906 175.3093 146 F 4.4373 9.2493 126.8830 57.0936 40.3164 174.6225 147 L 5.3179 8.4040 122.7992 53.6168 45.2690 175.2916 148 S 4.8218 9.1862 118.8045 56.8799 66.3834 172.5702 149 I 5.1732 8.2782 124.3645 59.7962 41.0035 174.4032 150 S 4.9414 9.5944 119.6730 56.8838 66.3480 172.0945 151 D 5.3260 8.4973 121.5970 52.3124 42.8077 174.1588 152 E 4.4352 9.3100 119.8192 56.5424 33.0264 174.3189 153 K 4.0960 9.2921 131.5485 56.7477 28.8029 176.8506 *169 F 4.4359 7.4442 119.7326 56.4270 41.1402 173.0915 170 I 4.9288 7.8269 115.7009 59.9390 39.8684 174.9073 171 I 5.0169 9.2636 128.3864 59.6023 40.1855 174.4657 172 Q 5.0561 9.5399 126.4624 54.4216 32.4681 173.6603 173 A 5.3606 9.2373 127.1368 50.2967 23.0700 174.6697 174 Q 5.1339 9.2866 117.2450 54.5644 32.8011 173.8675 175 A 5.2493 9.0232 120.9659 50.3616 23.4145 174.9659 176 L 5.1090 8.9647 120.9032 53.5272 45.7420 174.8086 177 A 5.1842 9.1873 128.9517 50.6023 21.1377 176.0302 178 V 4.7425 8.6899 114.8859 59.5252 36.3699 175.1931 179 G 4.3482 8.8463 110.3838 45.1622 0.0000 172.1153 180 S 5.3864 8.5208 115.4033 57.2004 65.4244 174.6881 181 N 4.5077 8.7615 118.4946 53.5831 38.4326 174.0349 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 20 Q 8.33 4.25 0.00 2.05 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 7.01 0.00 0.00 0.00 0.00 0.00 2.26 2.32 0.00 21 G 8.49 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 0.00 0.00 0.00 22 H 8.52 5.61 0.00 3.03 3.16 0.00 5.65 0.00 0.00 0.00 0.00 6.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 H 8.57 5.09 0.00 3.20 3.38 0.00 5.26 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 24 I 8.39 4.21 1.88 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 1.35 0.80 0.91 0.00 0.00 25 I 8.64 4.25 1.96 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.54 0.90 0.00 0.00 26 G 7.52 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 27 I 7.94 5.21 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.94 0.91 0.00 0.00 28 G 8.91 4.30 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 0.00 29 T 8.40 5.25 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 1.22 0.00 0.00 30 D 9.06 4.82 0.00 2.80 2.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 I 8.39 4.99 1.90 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 1.23 0.94 0.00 0.00 32 L 8.99 4.79 0.00 1.84 1.48 0.90 1.06 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 33 C 8.51 4.88 0.00 2.98 2.68 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 34 V 9.15 3.66 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 1.25 0.00 0.00 0.95 0.00 0.00 35 N 7.83 4.24 0.00 2.53 2.59 0.00 0.00 6.84 7.65 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 36 R 7.76 3.86 0.00 1.84 1.97 0.00 3.07 0.00 0.00 3.10 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.55 0.00 37 I 7.43 3.57 1.94 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 1.35 0.61 1.01 0.00 0.00 38 Y 8.30 4.09 0.00 2.97 3.11 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 39 K 7.89 4.07 0.00 1.73 1.80 0.00 1.74 0.00 0.00 1.68 0.00 0.00 3.06 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.67 1.73 7.81 40 I 7.28 3.60 1.49 0.00 0.00 0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.64 -0.11 0.00 0.00 41 L 7.90 4.11 0.00 1.69 1.61 0.96 0.89 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 42 E 8.00 3.88 0.00 1.87 1.48 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 2.23 2.17 0.00 43 K 7.12 4.49 0.00 1.94 1.86 0.00 1.57 0.00 0.00 1.68 0.00 0.00 2.88 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.51 1.32 7.81 44 N 7.65 4.94 0.00 2.71 2.76 0.00 0.00 6.74 9.25 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 45 I 7.86 3.68 1.86 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 1.53 1.07 0.92 0.00 0.00 46 N 8.37 4.42 0.00 3.01 2.84 0.00 0.00 6.81 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 47 F 8.46 4.19 0.00 3.15 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 48 I 7.77 3.66 1.83 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 1.77 0.96 0.95 0.00 0.00 49 K 8.07 4.17 0.00 1.78 1.87 0.00 1.70 0.00 0.00 1.61 0.00 0.00 2.97 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.45 1.57 7.81 50 K 7.60 3.98 0.00 1.69 1.67 0.00 1.91 0.00 0.00 1.78 0.00 0.00 3.07 0.00 0.00 3.23 0.00 0.00 0.00 0.00 1.37 1.43 7.81 51 V 7.08 3.78 1.85 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 0.91 0.00 0.00 0.37 0.00 0.00 52 L 7.86 4.48 0.00 1.72 1.63 1.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 53 N 9.47 4.69 0.00 2.97 2.86 0.00 0.00 7.05 7.62 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 54 P 0.00 4.17 0.00 1.68 1.87 0.00 3.40 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 1.84 2.04 0.00 55 F 8.03 4.45 0.00 3.25 3.01 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 56 E 8.70 4.18 0.00 2.22 2.21 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 2.48 2.46 0.00 57 L 8.10 4.01 0.00 1.75 1.86 0.97 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 58 A 8.00 4.05 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 7.94 3.97 0.00 2.24 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 2.39 2.38 0.00 60 F 8.54 4.03 0.00 2.38 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 61 E 8.70 4.02 0.00 2.01 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 2.42 2.58 0.00 62 T 6.95 4.44 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 1.19 0.00 0.00 63 Q 7.85 4.20 0.00 1.88 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.68 0.00 0.00 0.00 0.00 0.00 1.82 2.13 0.00 *75 N 9.10 4.82 0.00 2.82 2.88 0.00 0.00 6.90 7.65 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 76 E 8.13 4.08 0.00 2.07 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 2.43 2.35 0.00 77 L 8.05 4.14 0.00 1.81 1.81 0.86 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 78 K 8.12 4.21 0.00 1.91 1.87 0.00 1.68 0.00 0.00 1.75 0.00 0.00 2.77 0.00 0.00 2.56 0.00 0.00 0.00 0.00 1.27 1.40 7.81 79 K 8.24 4.12 0.00 1.96 2.03 0.00 1.72 0.00 0.00 1.63 0.00 0.00 2.92 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.55 1.63 7.81 80 L 8.23 3.84 0.00 1.99 1.91 0.42 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 81 A 8.48 4.11 1.60 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 0.00 0.00 82 I 8.02 3.71 2.14 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.87 1.00 0.00 0.00 83 Y 8.00 3.99 0.00 3.24 3.01 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 84 V 8.26 3.53 2.20 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 1.11 0.00 0.00 0.97 0.00 0.00 85 S 8.25 4.20 0.00 4.13 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 K 8.04 4.01 0.00 1.88 1.80 0.00 1.71 0.00 0.00 1.67 0.00 0.00 3.20 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.48 1.66 7.81 87 K 7.63 3.76 0.00 1.83 1.78 0.00 1.78 0.00 0.00 1.40 0.00 0.00 2.40 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.08 1.24 7.81 88 F 8.60 3.87 0.00 3.31 3.24 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 89 A 8.64 4.47 1.41 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 90 A 7.97 3.93 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 91 K 8.10 3.89 0.00 1.70 1.71 0.00 1.59 0.00 0.00 1.75 0.00 0.00 3.04 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.40 1.52 7.81 92 E 8.23 3.76 0.00 2.13 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 1.76 2.23 0.00 93 A 7.98 3.96 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 94 I 7.92 3.60 1.95 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 1.48 0.75 0.87 0.00 0.00 95 L 8.02 3.98 0.00 1.62 1.67 0.85 0.52 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 96 K 8.59 4.36 0.00 1.94 1.85 0.00 1.78 0.00 0.00 1.79 0.00 0.00 3.00 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.45 1.48 7.81 97 S 8.36 4.51 0.00 4.23 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 98 M 7.37 4.56 0.00 1.96 2.22 0.00 0.00 0.00 0.00 0.00 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.73 2.52 0.00 99 G 8.00 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 0.00 100 R 7.49 4.32 0.00 2.05 1.77 0.00 3.32 0.00 0.00 3.16 7.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.72 0.00 *110 L 8.16 4.08 0.00 1.64 1.63 0.93 0.76 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 0.00 111 S 8.09 4.78 0.00 4.03 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 0.00 112 M 8.68 4.02 0.00 2.07 2.20 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.36 0.00 113 N 8.04 4.51 0.00 2.95 3.18 0.00 0.00 6.27 8.07 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 0.00 114 D 8.20 4.82 0.00 2.98 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 0.00 115 I 7.80 5.02 1.99 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 1.12 0.61 0.92 0.00 0.00 116 E 9.66 4.95 0.00 2.55 2.27 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 2.46 2.49 0.00 117 I 9.40 5.03 1.90 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.78 0.93 0.00 0.00 118 K 9.03 4.76 0.00 1.98 1.89 0.00 1.70 0.00 0.00 1.57 0.00 0.00 2.71 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.40 1.46 7.81 119 N 8.93 5.30 0.00 2.77 2.78 0.00 0.00 6.87 8.08 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 0.00 120 D 9.02 4.75 0.00 2.92 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 0.00 121 K 8.29 3.87 0.00 1.67 1.81 0.00 1.26 0.00 0.00 1.47 0.00 0.00 2.13 0.00 0.00 2.90 0.00 0.00 0.00 0.00 0.88 0.39 7.81 122 Y 7.93 4.47 0.00 3.22 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 0.00 123 G 8.28 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 0.00 124 K 8.60 4.46 0.00 2.00 2.23 0.00 1.54 0.00 0.00 1.73 0.00 0.00 3.05 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.44 1.33 7.81 125 P 0.00 5.10 0.00 2.10 2.14 0.00 3.36 0.00 0.00 2.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.84 0.00 126 H 9.34 4.91 0.00 3.03 2.96 0.00 5.56 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 127 V 7.78 4.74 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 0.70 0.00 0.00 0.87 0.00 0.00 128 Y 8.93 4.70 0.00 2.96 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 0.00 129 L 8.29 5.24 0.00 1.38 1.56 0.88 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 130 Y 8.42 4.61 0.00 2.91 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 0.00 131 G 8.98 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 132 K 8.67 3.98 0.00 1.85 1.84 0.00 1.74 0.00 0.00 1.83 0.00 0.00 3.03 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.52 1.52 7.81 133 A 7.97 3.97 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 0.00 134 K 8.03 3.88 0.00 1.87 2.01 0.00 1.72 0.00 0.00 1.53 0.00 0.00 2.82 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.40 1.40 7.81 135 K 7.91 3.97 0.00 1.91 1.93 0.00 1.72 0.00 0.00 1.61 0.00 0.00 2.91 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.49 1.52 7.81 136 V 7.91 3.62 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 0.88 0.00 0.00 0.96 0.00 0.00 137 A 8.17 4.10 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 0.00 138 Y 7.95 4.09 0.00 3.19 3.24 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 0.00 139 E 8.22 3.93 0.00 2.01 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 2.46 2.74 0.00 140 M 7.66 4.26 0.00 2.00 2.24 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.79 2.53 0.00 141 G 7.99 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 142 I 7.36 4.33 1.95 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.55 0.94 0.00 0.00 143 V 8.19 4.34 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 0.68 0.00 0.00 0.92 0.00 0.00 144 K 7.49 4.29 0.00 1.60 1.40 0.00 1.37 0.00 0.00 1.48 0.00 0.00 2.13 0.00 0.00 2.31 0.00 0.00 0.00 0.00 0.45 0.79 7.81 145 I 7.90 4.89 1.73 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.70 0.87 0.00 0.00 146 F 9.25 4.44 0.00 2.94 2.98 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 0.00 147 L 8.40 5.32 0.00 1.54 1.44 1.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 148 S 9.19 4.82 0.00 3.89 3.62 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 0.00 149 I 8.28 5.17 1.89 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 1.23 0.79 0.93 0.00 0.00 150 S 9.59 4.94 0.00 3.81 3.65 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 0.00 151 D 8.50 5.33 0.00 2.69 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 0.00 152 E 9.31 4.44 0.00 2.11 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 0.00 2.22 2.34 0.00 153 K 9.29 4.10 0.00 1.77 1.93 0.00 1.48 0.00 0.00 1.46 0.00 0.00 2.13 0.00 0.00 2.46 0.00 0.00 0.00 0.00 1.17 1.21 7.81 *169 F 7.44 4.44 0.00 3.18 3.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 170 I 7.83 4.93 1.98 0.00 0.00 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 1.33 0.65 0.97 0.00 0.00 171 I 9.26 5.02 1.92 0.00 0.00 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 1.15 1.04 1.00 0.00 0.00 172 Q 9.54 5.06 0.00 2.02 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.74 0.00 0.00 0.00 0.00 0.00 2.47 2.45 0.00 173 A 9.24 5.36 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 0.00 174 Q 9.29 5.13 0.00 2.11 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.66 0.00 0.00 0.00 0.00 0.00 2.23 2.30 0.00 175 A 9.02 5.25 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 0.00 176 L 8.96 5.11 0.00 1.75 1.60 0.95 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 177 A 9.19 5.18 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 0.00 178 V 8.69 4.74 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 0.76 0.00 0.00 0.86 0.00 0.00 179 G 8.85 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 0.00 0.00 0.00 180 S 8.52 5.39 0.00 3.78 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 0.00 181 N 8.76 4.51 0.00 2.95 2.86 0.00 0.00 5.93 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.