NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 29 S 4.3100 8.3344 116.7969 58.1111 63.4807 173.4885 30 E 3.8752 8.5189 127.9439 54.3565 28.5845 170.4442 31 V 3.6514 8.9879 127.7606 62.0630 32.8866 173.7160 32 P 4.7050 0.0000 0.0000 62.5416 31.8080 176.4144 33 L 4.2159 8.6887 121.5046 56.3312 43.1336 176.2930 34 F 5.3360 8.3297 117.7532 55.8327 41.6385 174.5773 35 D 5.2093 9.1607 121.9151 52.5326 45.1622 174.5486 36 I 4.7205 8.3987 123.7863 59.3487 39.9761 175.8156 37 N 5.0591 8.9082 125.2904 51.3861 38.7185 175.9030 38 A 3.9289 8.5733 120.3490 54.9028 18.3919 178.4002 39 L 4.2146 8.0126 113.4094 55.2689 42.1099 177.5627 40 G 4.0223 8.4944 107.7192 45.2654 0.0000 173.2167 41 D 4.9095 8.5401 120.0504 53.2927 42.1121 175.3800 42 W 5.4884 8.9089 122.6269 55.4925 31.8963 175.1442 43 T 5.3432 9.2525 112.9427 60.1447 72.3008 171.9826 44 Y 4.7844 8.6350 123.4193 56.2532 41.8443 175.3533 45 L 3.4178 9.2824 126.8074 55.6241 39.8481 175.9352 46 G 3.8976 8.3472 105.5407 45.6358 0.0000 174.1397 47 T 4.4368 7.6639 117.6923 61.4709 69.9475 174.0541 48 S 4.6245 8.6625 120.9649 58.9977 62.9396 173.1488 49 L 4.6825 8.6570 127.4318 52.8851 42.7811 175.1163 50 P 4.4712 0.0000 0.0000 62.6618 32.3730 177.0486 51 A 3.9656 9.0200 124.1865 55.6049 18.1995 180.4873 52 K 3.8289 7.9513 116.4436 59.9211 32.6744 179.3725 53 F 3.7063 8.0738 118.4417 60.0502 38.8791 177.1945 54 A 3.0289 8.0235 120.4995 54.7267 17.8769 179.6256 55 K 3.6711 8.0731 118.4107 59.2256 32.0036 178.6462 56 L 3.7101 7.2361 119.5533 58.3714 42.2741 178.9256 57 F 4.3427 7.6479 117.1343 60.2607 38.7563 177.5950 58 A 4.3728 8.0365 121.1736 54.9487 17.8990 179.6655 59 S 4.2563 7.7427 112.5560 60.5422 63.0298 175.0759 60 I 4.5734 7.6427 114.9464 60.3725 38.8458 174.5130 61 L 5.0385 7.9494 125.1852 55.3309 42.7871 175.6720 62 H 5.2773 9.6334 122.4472 54.2072 33.5702 171.8178 63 C 4.9188 9.0391 121.6764 57.7514 33.3114 173.3313 64 I 4.4228 8.7577 127.7438 60.5380 39.2951 175.6570 65 D 4.2883 9.7707 126.7606 55.6360 38.2709 174.3634 66 D 4.5465 8.2886 114.6097 54.3531 38.9131 174.0969 67 E 4.6967 7.8037 118.8766 54.6170 32.9882 174.4387 68 Y 5.2230 8.0837 119.3502 56.5232 40.9480 174.7585 69 F 5.3154 9.2191 120.5267 56.0241 44.3618 173.3344 70 L 5.0564 9.0193 122.3711 53.7517 43.3769 175.6658 71 I 4.9466 8.8246 125.0778 59.7840 39.3244 175.1226 72 T 4.7788 8.6541 116.3871 58.7993 72.0780 172.2483 73 P 4.3554 0.0000 0.0000 65.6746 31.4103 178.0909 74 V 3.9425 7.7323 115.4391 64.0119 32.2911 175.6933 75 E 4.6609 8.4780 119.3115 54.2600 32.2590 174.3766 76 K 5.1997 8.7796 122.6588 54.8179 34.9256 175.9884 77 V 4.8785 8.8813 117.6396 59.5887 36.3217 175.3401 78 R 4.5480 9.0832 121.7437 55.8082 31.1753 176.3073 79 V 4.5693 8.1460 121.5329 61.1647 34.3094 174.5302 80 Q 4.3777 8.9430 129.4442 55.0417 30.6839 174.3302 81 V 4.3381 7.9195 125.2972 60.9964 33.3089 174.6391 82 E 3.7860 9.0087 130.1387 60.4420 29.8634 176.6464 83 D 4.6222 8.3717 112.3930 54.0028 41.7483 175.5529 84 A 4.9301 5.8000 112.9960 49.4322 22.2525 176.5318 85 P 4.1879 0.0000 0.0000 64.7238 31.9981 176.6360 86 L 4.9694 7.6138 119.0069 52.7412 46.3177 175.1977 87 L 4.9859 8.4925 124.3248 53.3444 44.3160 175.1459 88 I 4.5359 8.8776 128.8898 61.4862 37.6723 176.9419 89 V 4.4122 8.8126 119.3900 61.3676 33.7967 174.9960 90 D 4.8267 7.9533 118.9146 53.4282 44.6825 173.4413 91 F 5.4349 7.8893 115.5356 56.5047 40.6661 172.6338 92 E 4.8681 9.2057 119.3788 55.2983 33.4219 174.2035 93 R 4.7290 8.6761 124.1185 55.6378 30.6185 176.5535 94 A 4.1599 8.1757 127.3357 54.9098 18.7586 177.7254 95 Q 4.6388 8.2151 112.7298 53.0611 33.0182 172.7709 96 P 4.2719 0.0000 0.0000 64.9734 31.6170 176.6331 97 H 4.0050 8.7703 117.7168 56.0962 26.3319 174.9923 98 S 4.4839 8.0125 115.0711 57.0256 62.9385 173.3643 99 L 4.2870 8.1946 120.3566 55.1393 42.8268 176.1826 100 L 5.0389 8.8664 120.1859 53.6542 44.1646 175.5946 101 N 5.3667 9.2157 119.9841 52.2100 40.5311 174.6979 102 V 5.0884 8.9315 116.2959 59.6091 35.9836 174.7190 103 S 5.9615 9.3577 116.7479 55.8583 66.9383 172.6220 104 T 5.3679 8.2088 110.0846 59.5498 71.8277 174.9815 105 S 4.1728 8.9999 116.3960 60.6620 63.0354 175.1407 106 I 4.0916 7.8914 112.5640 60.5614 37.7367 176.0809 107 G 3.8763 8.3279 109.3778 45.9324 0.0000 173.7304 108 T 4.3357 7.8279 109.8742 60.6838 70.6389 173.2842 109 L 5.2000 8.1871 124.4709 53.7025 44.8607 175.1664 110 H 4.9102 9.2423 122.0530 54.4141 32.9592 172.2732 111 H 5.3503 8.6142 117.9879 53.0365 32.1735 172.9178 112 N 4.1709 8.6254 113.3788 54.4234 35.9594 174.8060 113 V 3.8649 8.0542 117.9936 61.8933 32.6978 173.9773 114 D 5.0367 8.4170 126.6683 52.3631 41.5941 176.1646 115 I 3.8738 8.6401 128.7123 64.5360 37.2643 177.7305 116 K 4.0425 8.2092 120.0938 58.9969 32.0436 176.4970 117 Q 4.3928 7.7756 118.0506 54.2444 28.1181 174.6557 *119 K 4.1854 8.1493 124.1291 56.0359 33.8660 173.8734 120 L 5.4127 8.6322 125.9383 53.4993 44.5300 176.2428 121 T 4.7903 8.2727 113.0054 60.3429 71.1127 173.6279 122 D 4.5912 8.6392 119.2995 56.0747 41.2593 176.5427 123 D 4.7940 7.8486 117.7884 54.8203 43.1310 176.2141 124 S 4.3794 7.5220 112.7813 57.1449 67.0553 172.5889 125 V 4.9067 7.7518 121.1956 61.3978 34.1725 173.7835 126 Y 5.3920 9.1840 124.5365 56.2504 41.2660 174.8726 127 L 5.1318 9.2780 123.2314 52.3015 45.1036 173.8815 128 P 3.6111 0.0000 0.0000 62.0665 32.2657 175.5363 129 L 4.8519 7.9929 124.5063 53.0111 44.5304 175.7355 130 E 4.2160 8.4709 117.3540 56.9191 30.8784 176.1854 131 R 3.9355 9.3506 114.0026 57.2852 27.4951 178.3330 132 G 4.0203 8.3661 103.8015 45.5466 0.0000 174.1865 133 L 4.6384 7.8017 120.4675 54.0019 42.5715 175.8720 134 W 5.0407 9.1327 121.9397 54.8774 32.6928 174.5566 135 G 4.3960 9.1225 111.2804 44.4016 0.0000 172.5105 136 K 4.4895 8.9758 127.2948 55.5975 33.6615 175.8920 137 L 4.3205 8.5043 128.7726 54.4279 42.1499 177.5497 138 G 3.7350 9.1104 112.0439 46.0907 0.0000 174.7733 139 R 3.9504 8.7128 120.0961 59.0326 29.9142 179.1140 140 A 4.2365 8.0165 118.6576 53.7343 18.8126 177.9633 141 C 4.7404 7.8124 111.3237 58.1179 30.3483 175.0766 142 Y 4.0977 7.7551 123.2138 61.4791 38.4527 177.5026 143 Y 4.3111 7.8244 117.0336 61.2739 38.0788 178.2438 144 N 4.5067 8.4470 116.9688 56.2385 38.4510 177.0721 145 F 3.8570 8.3647 121.4113 61.1615 39.6012 176.9774 146 V 3.5210 7.7831 117.8214 66.1833 31.0922 177.7479 147 N 4.3396 8.0964 114.7910 56.2355 38.3929 176.7039 148 E 4.0407 7.8142 119.8036 57.5393 30.1001 176.9375 149 F 4.0990 7.0371 120.5660 58.6474 40.0097 173.9047 150 N 4.7434 7.8676 123.5898 50.4203 41.8308 175.2799 151 L 3.7557 8.3232 123.1707 58.4031 41.9929 179.5369 152 S 4.1872 7.8827 113.1449 60.9520 62.6436 175.7977 153 D 4.4017 7.7377 122.1895 56.5132 40.5497 177.4992 154 L 4.3901 7.4966 117.5706 55.4109 42.0249 176.4395 155 N 4.5371 7.8954 121.8164 53.4905 38.5067 174.7787 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 29 S 8.33 4.31 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 30 E 8.52 3.88 0.00 2.09 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 2.42 2.36 0.00 31 V 8.99 3.65 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.00 0.00 0.92 0.00 0.00 32 P 0.00 4.71 0.00 2.07 2.01 0.00 3.75 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.04 0.00 33 L 8.69 4.22 0.00 1.69 1.50 0.97 1.07 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 34 F 8.33 5.34 0.00 2.94 2.89 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 35 D 9.16 5.21 0.00 2.52 2.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 I 8.40 4.72 1.40 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 -0.20 0.67 0.00 0.00 37 N 8.91 5.06 0.00 3.05 2.95 0.00 0.00 6.42 7.48 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 38 A 8.57 3.93 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 39 L 8.01 4.21 0.00 1.66 1.74 0.92 0.97 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 40 G 8.49 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 0.00 0.00 0.00 41 D 8.54 4.91 0.00 2.92 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 42 W 8.91 5.49 0.00 3.35 3.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 T 9.25 5.34 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 1.27 0.00 0.00 44 Y 8.63 4.78 0.00 2.66 2.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 L 9.28 3.42 0.00 1.20 1.36 0.29 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.33 0.00 0.00 0.00 0.00 0.00 0.00 46 G 8.35 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 T 7.66 4.44 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 1.21 0.00 0.00 48 S 8.66 4.62 0.00 3.92 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 L 8.66 4.68 0.00 1.80 1.79 1.37 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 50 P 0.00 4.47 0.00 2.34 2.09 0.00 3.72 0.00 0.00 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.18 0.00 51 A 9.02 3.97 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 52 K 7.95 3.83 0.00 1.73 1.94 0.00 1.29 0.00 0.00 1.73 0.00 0.00 3.03 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.41 0.94 7.81 53 F 8.07 3.71 0.00 3.27 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 54 A 8.02 3.03 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 K 8.07 3.67 0.00 1.92 1.80 0.00 1.70 0.00 0.00 1.46 0.00 0.00 2.82 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.29 1.34 7.81 56 L 7.24 3.71 0.00 1.34 1.27 0.68 0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 57 F 7.65 4.34 0.00 2.67 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 58 A 8.04 4.37 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 S 7.74 4.26 0.00 3.96 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 60 I 7.64 4.57 2.15 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.94 0.95 0.00 0.00 61 L 7.95 5.04 0.00 2.10 1.96 1.06 1.13 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 62 H 9.63 5.28 0.00 3.17 3.20 0.00 5.62 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 C 9.04 4.92 0.00 2.70 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 64 I 8.76 4.42 1.96 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 1.30 0.68 0.86 0.00 0.00 65 D 9.77 4.29 0.00 2.80 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 66 D 8.29 4.55 0.00 2.81 2.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 E 7.80 4.70 0.00 2.19 1.57 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 2.19 2.41 0.00 68 Y 8.08 5.22 0.00 3.00 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 F 9.22 5.32 0.00 3.01 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 70 L 9.02 5.06 0.00 1.54 1.59 -0.22 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 71 I 8.82 4.95 1.87 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 1.37 0.72 0.86 0.00 0.00 72 T 8.65 4.78 4.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 73 P 0.00 4.36 0.00 2.07 2.18 0.00 3.68 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.10 0.00 74 V 7.73 3.94 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 0.84 0.00 0.00 0.95 0.00 0.00 75 E 8.48 4.66 0.00 2.10 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 2.27 2.30 0.00 76 K 8.78 5.20 0.00 1.60 1.70 0.00 1.65 0.00 0.00 1.62 0.00 0.00 2.74 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.32 1.51 7.81 77 V 8.88 4.88 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 0.89 0.00 0.00 1.04 0.00 0.00 78 R 9.08 4.55 0.00 1.94 1.71 0.00 3.43 0.00 0.00 3.09 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.79 0.00 79 V 8.15 4.57 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 0.34 0.00 0.00 0.81 0.00 0.00 80 Q 8.94 4.38 0.00 2.14 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.52 0.00 0.00 0.00 0.00 0.00 2.25 2.26 0.00 81 V 7.92 4.34 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 0.41 0.00 0.00 -0.24 0.00 0.00 82 E 9.01 3.79 0.00 1.95 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 2.29 2.22 0.00 83 D 8.37 4.62 0.00 2.62 2.34 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 84 A 5.80 4.93 1.57 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 0.00 0.00 85 P 0.00 4.19 0.00 2.23 1.91 0.00 4.05 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.29 0.00 86 L 7.61 4.97 0.00 1.84 1.62 0.99 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 87 L 8.49 4.99 0.00 1.79 1.57 0.94 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 88 I 8.88 4.54 1.98 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.59 1.04 0.00 0.00 89 V 8.81 4.41 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 0.71 0.00 0.00 1.02 0.00 0.00 90 D 7.95 4.83 0.00 2.75 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 91 F 7.89 5.43 0.00 3.17 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 92 E 9.21 4.87 0.00 2.01 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 2.25 2.29 0.00 93 R 8.68 4.73 0.00 1.77 2.06 0.00 3.25 0.00 0.00 3.40 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.70 0.00 94 A 8.18 4.16 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 95 Q 8.22 4.64 0.00 2.12 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.14 6.84 0.00 0.00 0.00 0.00 0.00 2.27 2.36 0.00 96 P 0.00 4.27 0.00 2.09 2.04 0.00 3.79 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.14 0.00 97 H 8.77 4.00 0.00 3.30 3.42 0.00 5.69 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 S 8.01 4.48 0.00 3.97 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 99 L 8.19 4.29 0.00 1.65 1.80 0.95 0.53 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 0.00 100 L 8.87 5.04 0.00 1.64 1.68 0.91 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 101 N 9.22 5.37 0.00 2.67 2.77 0.00 0.00 6.85 7.48 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 0.00 102 V 8.93 5.09 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 0.90 0.00 0.00 0.99 0.00 0.00 103 S 9.36 5.96 0.00 3.92 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 0.00 104 T 8.21 5.37 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 1.32 0.00 0.00 105 S 9.00 4.17 0.00 4.05 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 0.00 106 I 7.89 4.09 1.78 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 1.45 0.67 0.99 0.00 0.00 107 G 8.33 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 T 7.83 4.34 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 1.21 0.00 0.00 109 L 8.19 5.20 0.00 1.56 1.45 0.91 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 110 H 9.24 4.91 0.00 3.03 3.09 0.00 5.62 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 H 8.61 5.35 0.00 3.03 3.20 0.00 5.91 0.00 0.00 0.00 0.00 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 N 8.63 4.17 0.00 2.89 2.91 0.00 0.00 6.83 7.68 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 0.00 113 V 8.05 3.86 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 0.98 0.00 0.00 114 D 8.42 5.04 0.00 2.70 2.53 0.00 0.00 0.00 0.00 0.00 0.00 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 8.64 3.87 1.90 0.00 0.00 nan 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 0.72 1.03 0.00 0.00 116 K 8.21 4.04 0.00 1.98 2.06 0.00 1.82 0.00 0.00 1.88 0.00 0.00 3.03 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.51 1.49 7.81 117 Q 7.78 4.39 0.00 2.15 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.57 6.18 0.00 0.00 0.00 0.00 0.00 2.39 2.45 0.00 *119 K 8.15 4.19 0.00 1.78 1.53 0.00 1.17 0.00 0.00 1.11 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.17 1.31 7.81 120 L 8.63 5.41 0.00 1.56 1.58 1.02 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 121 T 8.27 4.79 4.27 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 1.25 0.00 0.00 122 D 8.64 4.59 0.00 2.68 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 D 7.85 4.79 0.00 2.65 2.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 S 7.52 4.38 0.00 3.57 3.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 V 7.75 4.91 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 0.92 0.00 0.00 1.09 0.00 0.00 126 Y 9.18 5.39 0.00 2.80 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 0.00 127 L 9.28 5.13 0.00 1.55 1.53 0.85 0.91 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 0.00 128 P 0.00 3.61 0.00 1.38 0.49 0.00 3.62 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 1.71 1.70 0.00 129 L 7.99 4.85 0.00 1.54 1.52 0.76 0.83 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 0.00 130 E 8.47 4.22 0.00 2.11 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 2.36 2.28 0.00 131 R 9.35 3.94 0.00 2.03 1.94 0.00 2.75 0.00 0.00 3.26 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.58 0.00 132 G 8.37 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 0.00 0.00 0.00 133 L 7.80 4.64 0.00 1.72 1.70 1.07 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 134 W 9.13 5.04 0.00 3.32 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 0.00 135 G 9.12 4.40 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 0.00 136 K 8.98 4.49 0.00 1.85 1.65 0.00 1.41 0.00 0.00 1.63 0.00 0.00 2.81 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.19 0.78 7.81 137 L 8.50 4.32 0.00 1.37 1.53 -0.13 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 138 G 9.11 3.73 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 0.00 0.00 0.00 139 R 8.71 3.95 0.00 1.79 1.92 0.00 3.07 0.00 0.00 3.19 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.55 0.00 140 A 8.02 4.24 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 C 7.81 4.74 0.00 3.42 3.26 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 0.00 142 Y 7.76 4.10 0.00 2.90 2.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 143 Y 7.82 4.31 0.00 3.12 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 0.00 144 N 8.45 4.51 0.00 3.13 3.06 0.00 0.00 6.77 8.13 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 0.00 145 F 8.36 3.86 0.00 2.93 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 0.00 146 V 7.78 3.52 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 0.91 0.00 0.00 0.53 0.00 0.00 147 N 8.10 4.34 0.00 3.00 2.91 0.00 0.00 7.05 7.26 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 0.00 148 E 7.81 4.04 0.00 2.25 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 2.35 2.27 0.00 149 F 7.04 4.10 0.00 2.74 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 0.00 150 N 7.87 4.74 0.00 2.45 2.44 0.00 0.00 6.43 6.14 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 0.00 151 L 8.32 3.76 0.00 1.73 1.63 1.10 0.81 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 0.00 152 S 7.88 4.19 0.00 4.05 4.07 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 0.00 0.00 0.00 153 D 7.74 4.40 0.00 2.42 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 0.00 154 L 7.50 4.39 0.00 1.69 1.77 1.08 1.22 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 0.00 155 N 7.90 4.54 0.00 2.83 2.72 0.00 0.00 6.78 7.44 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 * Residues marked with a * may have inaccurate shift predictions.