NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 G 3.9926 8.3393 109.7413 45.7308 0.0000 173.1297 3 V 4.4253 7.3960 117.3183 59.5555 34.8525 175.1987 4 T 4.5882 8.5752 119.3720 62.2100 72.2849 177.9254 5 V 3.3993 8.2185 122.5702 64.9164 31.1545 178.3660 6 Q 3.6054 7.9403 119.7445 58.8841 29.0038 177.6204 7 D 4.2859 7.9628 119.3843 57.4944 40.8891 178.7322 8 I 3.6433 7.6576 120.0315 64.6386 37.0693 178.4313 9 C 3.9651 7.8697 117.6114 62.5352 27.8464 176.0838 10 F 3.8169 8.5786 119.4321 60.6021 38.6328 177.6006 11 A 4.0686 8.1523 120.3014 54.9880 18.0649 179.4562 12 F 4.0059 8.3754 119.2423 61.5340 39.4252 177.4705 13 L 2.9119 8.1000 118.9776 57.1555 41.3821 178.9759 14 Q 3.9539 7.9790 119.6305 59.5137 28.9839 178.3640 15 N 4.2875 8.0315 117.6747 56.6414 38.9589 176.2036 16 Y 2.7981 7.3319 120.9925 60.6458 38.7442 177.6689 17 Y 4.3759 7.8040 117.8561 60.8768 37.9873 178.2207 18 E 3.9227 8.1443 120.4169 59.2799 29.7089 178.8574 19 R 3.8916 7.9842 118.7766 59.5415 29.8811 178.1069 20 M 3.8544 7.7146 117.3546 58.5655 32.2245 178.0821 21 R 4.1129 7.6434 117.3833 58.3474 30.3750 177.9783 22 T 4.5443 7.5062 107.7842 62.3743 70.9912 174.6978 23 D 4.5633 8.2510 121.2034 51.2498 42.8401 173.2959 24 P 4.2348 0.0000 0.0000 64.7638 31.2924 177.6404 25 S 4.3985 8.0388 111.4563 60.0721 63.3588 175.3940 26 K 4.4992 7.9821 121.1449 56.3284 32.5402 177.8035 27 L 4.2771 7.8343 120.4181 57.8672 41.5141 179.0306 28 A 4.4056 8.3998 120.1089 55.2248 18.0508 178.6489 29 Y 4.1650 7.9754 117.1129 60.6313 38.9452 177.1764 30 F 4.2838 8.8644 117.5217 58.7947 39.5960 174.8201 31 Y 4.7960 7.9961 118.3258 56.1538 39.3237 175.4204 32 A 4.2697 8.7917 126.1228 52.1122 19.5172 178.9737 33 S 4.2053 8.9139 116.0949 61.6778 62.9226 176.8591 34 T 4.5832 7.6705 107.1833 61.1416 69.1847 174.3146 35 A 4.5240 7.9617 123.7615 53.1647 19.9786 177.0913 36 E 5.1676 9.1480 118.7097 54.4527 33.1076 175.1104 37 L 5.3111 8.9858 124.9760 53.5876 45.7786 175.1290 38 T 4.9662 8.9077 122.3129 62.0149 71.8400 172.5150 39 H 4.9444 8.9312 126.3906 54.2439 33.4132 172.6666 40 T 4.1118 7.6120 122.1993 63.8065 68.7336 173.8109 41 N 4.6264 9.0591 124.6282 53.3595 39.9644 174.0805 42 Y 4.5759 8.3244 120.2419 57.3327 38.3783 174.8513 *55 P 4.2634 0.0000 0.0000 63.0201 33.0007 176.3071 56 T 4.9006 8.4709 114.3188 59.6931 71.6151 173.5536 57 V 4.3014 8.4387 123.0532 61.1272 34.0477 174.2988 58 K 4.8637 8.4207 127.5332 54.7689 34.2385 175.3315 59 V 4.6246 8.9449 119.8883 60.0183 36.4947 174.5204 60 T 4.9386 8.3145 117.8774 63.0526 72.2948 174.0942 61 G 4.0282 9.4058 113.7977 46.1179 0.0000 174.4662 62 R 3.9482 8.6936 122.4596 59.4450 29.9991 179.0159 63 E 4.0216 8.1263 117.8389 59.5877 29.5847 178.9414 64 N 4.4333 8.1010 115.9769 56.1301 38.6265 177.5314 65 I 3.5572 7.8381 121.4787 64.1802 37.1415 177.7499 66 N 4.4632 8.7142 118.3115 56.8696 38.6896 176.9552 67 K 3.9770 8.1732 119.7365 59.3413 32.0334 179.1378 68 F 4.0770 8.3020 120.8455 61.4628 39.1153 177.3356 69 F 4.2613 8.0192 116.0231 60.5009 38.8619 177.6983 70 S 4.3674 9.0537 117.7759 62.3574 62.4622 177.6268 71 R 4.0307 8.2103 122.3858 60.5047 29.1862 179.3521 72 N 4.9229 7.4246 114.1044 53.0909 39.0457 176.2649 73 D 4.3241 7.6794 122.1344 57.6998 41.1819 178.3525 74 A 3.9553 7.8552 120.3725 55.2183 18.3260 179.6424 75 K 4.0099 7.8289 116.5238 59.2828 31.9445 179.6276 76 V 3.4499 7.4396 118.1124 66.1644 31.5614 178.1835 77 R 4.0554 7.9445 116.6339 58.9069 29.9126 178.7134 78 S 4.4475 7.7302 112.7339 59.0820 63.3979 173.8666 79 L 4.7797 7.3383 122.7917 53.1450 42.3261 176.2192 80 K 4.2737 8.8426 126.9709 55.6175 33.6232 175.1157 81 L 4.9460 8.4268 129.5069 53.6992 43.3823 175.3369 82 K 4.6824 9.4194 126.1948 54.4053 35.0155 175.0915 83 L 4.5399 8.7354 127.6876 55.2815 42.5733 175.5544 84 D 4.9812 9.4801 126.1506 55.3877 43.5090 176.4613 85 T 4.9593 7.6476 106.5719 59.8643 72.5867 172.8804 86 I 5.1394 8.1494 122.0335 59.8288 41.2754 173.7459 87 D 4.6187 9.3726 127.9516 52.7646 45.4843 174.2150 88 F 5.4616 7.4329 114.7100 56.3690 41.3753 173.3118 89 Q 4.7024 8.8971 116.9310 54.6592 33.4496 174.0291 90 Y 4.8495 8.5137 120.3231 59.1967 39.1721 174.9911 91 T 4.4192 9.3211 116.1845 62.3149 71.8902 173.4148 92 G 4.0364 8.6778 109.9583 45.3142 0.0000 171.8207 93 H 4.3188 8.7064 120.3296 57.2108 30.0667 176.2281 94 L 3.2932 8.9015 125.4420 55.6053 39.0725 173.8930 95 H 4.2813 7.8661 112.3073 57.0878 26.6431 175.8878 96 K 4.3701 7.9716 118.0405 56.8748 33.1420 177.2231 97 S 4.9840 7.9510 115.5958 57.9925 65.0118 173.0792 98 I 4.9148 8.7818 121.4712 59.5830 40.8710 174.3835 99 L 5.0794 9.0431 129.2728 53.6303 44.0663 175.0168 100 I 5.2482 8.8164 126.6136 59.7168 40.8023 174.0488 101 M 5.2726 9.3657 125.8691 53.7170 35.1868 173.9845 102 A 5.4459 9.3232 127.3872 50.6212 22.8958 174.8670 103 T 4.3508 8.5314 115.8364 61.3072 73.1335 174.0515 104 G 4.2962 6.3131 111.6107 45.6060 0.0000 171.9991 105 E 5.2106 8.9683 121.7973 54.9033 34.0061 174.6469 106 M 5.1104 9.1774 123.3926 53.8531 34.5524 175.0728 107 F 5.0839 9.4267 121.8179 55.2935 43.1925 173.9874 108 W 4.8353 9.3749 133.2463 55.8915 32.4664 176.1046 109 T 3.1620 8.7497 127.1579 64.5703 65.2661 173.4225 110 G 3.9305 8.2860 107.1530 45.5966 0.0000 172.7059 111 T 4.7405 8.0450 117.6116 60.5337 70.3791 172.2025 112 P 3.9090 0.0000 0.0000 62.9024 31.8621 174.9232 113 V 3.8808 8.0692 122.1802 64.0294 32.9113 174.8560 114 Y 4.9473 6.9585 115.0036 56.4619 43.0091 173.9321 115 K 4.9161 9.0082 120.2307 56.3394 33.7904 176.4329 116 F 5.7247 8.9798 116.8041 55.4970 41.9054 173.5769 117 C 5.1941 9.0167 116.8388 58.2069 32.0322 173.0019 118 Q 5.1027 9.7677 124.5472 54.5389 32.6249 173.6741 119 T 5.1569 8.9565 115.3383 59.9364 72.3352 172.7080 120 F 5.4555 9.0981 121.2696 55.8377 43.3690 173.8865 121 I 4.9390 8.6049 121.8580 59.6101 39.9374 174.4597 122 L 5.0143 8.9210 127.3248 52.7931 44.3157 175.0558 123 L 5.1628 8.6615 125.9521 52.2581 44.4366 174.0302 124 P 4.0861 0.0000 0.0000 62.6437 31.9491 176.3427 125 S 4.4190 8.1978 118.0924 58.2847 63.0553 175.0737 126 S 4.1309 8.7796 118.7275 61.6099 63.2336 176.1449 127 N 4.5878 8.0560 117.7296 52.6661 39.3214 179.6628 128 G 3.8070 7.6985 113.8881 46.0504 0.0000 174.8275 129 S 4.0148 9.4525 120.3741 60.1138 63.7653 172.9162 130 T 4.7127 7.1689 110.1550 60.5020 71.1957 173.6270 131 F 5.0922 8.7054 119.8058 55.7753 42.4479 174.3795 132 D 5.1904 8.6561 120.9165 52.4211 44.5060 175.4795 133 I 4.3316 8.4978 123.8222 61.5949 37.6687 176.6778 134 T 4.7048 9.0286 117.5179 62.5510 70.8165 174.3551 135 N 5.5075 7.9431 119.4322 52.0146 43.5057 172.9846 136 D 5.0907 9.2692 122.6014 52.8846 45.2182 173.8056 137 I 4.9316 8.6306 126.3848 59.4705 40.9160 174.3396 138 I 5.0128 8.8482 127.0532 59.1758 41.5749 173.8962 139 R 4.6743 8.8212 127.6516 54.2915 33.2333 174.6373 140 F 5.4113 8.4040 123.3681 56.6103 39.8793 175.3329 141 I 4.6351 8.6186 117.3288 58.4982 40.7646 175.0376 142 S 4.6034 8.7228 118.6679 58.4063 63.1093 173.8011 143 N 4.5281 8.7742 122.1453 53.7611 38.2825 174.9165 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 2 G 8.34 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 3 V 7.40 4.43 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 0.87 0.00 0.00 1.03 0.00 0.00 4 T 8.58 4.59 4.49 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 5 V 8.22 3.40 1.43 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 0.80 0.00 0.00 0.26 0.00 0.00 6 Q 7.94 3.61 0.00 2.30 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.93 0.00 0.00 0.00 0.00 0.00 2.48 3.01 0.00 7 D 7.96 4.29 0.00 2.87 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 I 7.66 3.64 1.68 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 1.53 0.65 0.27 0.00 0.00 9 C 7.87 3.97 0.00 2.18 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 10 F 8.58 3.82 0.00 3.12 3.19 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 0.00 11 A 8.15 4.07 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 12 F 8.38 4.01 0.00 2.89 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 13 L 8.10 2.91 0.00 1.57 1.50 0.94 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 14 Q 7.98 3.95 0.00 2.17 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.80 0.00 0.00 0.00 0.00 0.00 2.37 2.41 0.00 15 N 8.03 4.29 0.00 3.13 2.76 0.00 0.00 6.95 7.04 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 16 Y 7.33 2.80 0.00 1.43 1.77 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 17 Y 7.80 4.38 0.00 3.05 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 18 E 8.14 3.92 0.00 2.13 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 0.00 2.31 2.35 0.00 19 R 7.98 3.89 0.00 2.16 1.96 0.00 3.42 0.00 0.00 3.08 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.69 0.00 20 M 7.71 3.85 0.00 2.20 1.89 0.00 0.00 0.00 0.00 0.00 2.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.62 0.00 21 R 7.64 4.11 0.00 1.95 1.94 0.00 3.17 0.00 0.00 3.26 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.62 0.00 22 T 7.51 4.54 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 1.24 0.00 0.00 23 D 8.25 4.56 0.00 2.60 2.51 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 24 P 0.00 4.23 0.00 2.20 2.09 0.00 3.89 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.26 0.00 25 S 8.04 4.40 0.00 4.07 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 26 K 7.98 4.50 0.00 1.93 1.81 0.00 1.71 0.00 0.00 1.54 0.00 0.00 2.86 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.33 1.52 7.81 27 L 7.83 4.28 0.00 1.75 1.64 -0.07 -0.19 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 28 A 8.40 4.41 1.54 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 0.00 0.00 29 Y 7.98 4.16 0.00 2.91 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 30 F 8.86 4.28 0.00 3.52 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 31 Y 8.00 4.80 0.00 3.29 3.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 A 8.79 4.27 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 33 S 8.91 4.21 0.00 3.92 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 0.00 34 T 7.67 4.58 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 1.23 0.00 0.00 35 A 7.96 4.52 1.62 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 0.00 0.00 36 E 9.15 5.17 0.00 1.93 1.83 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 2.21 2.23 0.00 37 L 8.99 5.31 0.00 1.63 1.27 1.16 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 38 T 8.91 4.97 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 1.10 0.00 0.00 39 H 8.93 4.94 0.00 2.84 2.49 0.00 5.79 0.00 0.00 0.00 0.00 6.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 T 7.61 4.11 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 1.04 0.00 0.00 41 N 9.06 4.63 0.00 2.84 2.79 0.00 0.00 7.18 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 42 Y 8.32 4.58 0.00 3.18 3.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *55 P 0.00 4.26 0.00 2.21 2.25 0.00 3.34 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.09 0.00 56 T 8.47 4.90 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 1.09 0.00 0.00 57 V 8.44 4.30 1.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.00 0.00 1.00 0.00 0.00 58 K 8.42 4.86 0.00 1.67 1.57 0.00 1.72 0.00 0.00 1.66 0.00 0.00 2.91 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.24 1.35 7.81 59 V 8.94 4.62 1.98 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 0.59 0.00 0.00 0.66 0.00 0.00 60 T 8.31 4.94 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 1.21 0.00 0.00 61 G 9.41 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 R 8.69 3.95 0.00 2.15 2.02 0.00 3.26 0.00 0.00 3.48 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.87 0.00 63 E 8.13 4.02 0.00 2.07 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 2.43 2.44 0.00 64 N 8.10 4.43 0.00 2.98 2.83 0.00 0.00 7.12 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 65 I 7.84 3.56 1.90 0.00 0.00 0.69 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 0.52 0.52 0.00 0.00 66 N 8.71 4.46 0.00 2.80 3.08 0.00 0.00 7.26 6.79 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 67 K 8.17 3.98 0.00 2.04 1.88 0.00 1.74 0.00 0.00 1.59 0.00 0.00 2.93 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.49 1.59 7.81 68 F 8.30 4.08 0.00 2.91 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 69 F 8.02 4.26 0.00 3.21 3.19 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 0.00 70 S 9.05 4.37 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 71 R 8.21 4.03 0.00 1.89 1.85 0.00 3.24 0.00 0.00 3.22 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.54 0.00 72 N 7.42 4.92 0.00 2.28 2.25 0.00 0.00 6.51 9.28 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 73 D 7.68 4.32 0.00 2.88 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 74 A 7.86 3.96 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 75 K 7.83 4.01 0.00 1.68 1.83 0.00 1.73 0.00 0.00 1.87 0.00 0.00 2.94 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.59 1.49 7.81 76 V 7.44 3.45 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 0.87 0.00 0.00 0.70 0.00 0.00 77 R 7.94 4.06 0.00 1.94 1.95 0.00 3.31 0.00 0.00 3.25 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.67 0.00 78 S 7.73 4.45 0.00 4.11 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 0.00 79 L 7.34 4.78 0.00 1.70 1.77 1.01 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 80 K 8.84 4.27 0.00 1.88 1.76 0.00 1.54 0.00 0.00 1.50 0.00 0.00 2.70 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.39 1.34 7.81 81 L 8.43 4.95 0.00 1.47 1.35 0.25 -0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.39 0.00 0.00 0.00 0.00 0.00 0.00 82 K 9.42 4.68 0.00 1.98 1.76 0.00 1.60 0.00 0.00 1.48 0.00 0.00 2.47 0.00 0.00 2.14 0.00 0.00 0.00 0.00 1.35 1.24 7.81 83 L 8.74 4.54 0.00 1.76 1.65 1.02 1.46 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 84 D 9.48 4.98 0.00 2.67 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 85 T 7.65 4.96 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 1.17 0.00 0.00 86 I 8.15 5.14 1.91 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 1.41 0.96 0.90 0.00 0.00 87 D 9.37 4.62 0.00 2.48 2.32 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 88 F 7.43 5.46 0.00 2.80 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 89 Q 8.90 4.70 0.00 2.03 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.99 0.00 0.00 0.00 0.00 0.00 2.28 2.32 0.00 90 Y 8.51 4.85 0.00 2.93 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 91 T 9.32 4.42 4.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 92 G 8.68 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 0.00 0.00 0.00 93 H 8.71 4.32 0.00 3.17 3.22 0.00 5.83 0.00 0.00 0.00 0.00 6.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 L 8.90 3.29 0.00 1.73 1.63 0.89 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 95 H 7.87 4.28 0.00 3.22 3.34 0.00 5.63 0.00 0.00 0.00 0.00 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 K 7.97 4.37 0.00 1.94 1.90 0.00 1.69 0.00 0.00 1.70 0.00 0.00 2.99 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.36 1.55 7.81 97 S 7.95 4.98 0.00 4.05 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 98 I 8.78 4.91 1.56 0.00 0.00 0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.75 0.67 0.63 0.00 0.00 99 L 9.04 5.08 0.00 1.71 1.70 0.94 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 100 I 8.82 5.25 2.13 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.52 1.19 0.00 0.00 101 M 9.37 5.27 0.00 2.03 1.88 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 2.47 2.44 0.00 102 A 9.32 5.45 1.54 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 0.00 0.00 103 T 8.53 4.35 4.12 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 1.07 0.00 0.00 104 G 6.31 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 0.00 105 E 8.97 5.21 0.00 2.01 1.72 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 2.19 2.33 0.00 106 M 9.18 5.11 0.00 1.75 1.88 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.74 0.00 107 F 9.43 5.08 0.00 3.00 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 0.00 108 W 9.37 4.84 0.00 3.31 3.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 T 8.75 3.16 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.00 0.00 110 G 8.29 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 0.00 111 T 8.04 4.74 4.57 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 1.27 0.00 0.00 112 P 0.00 3.91 0.00 1.96 1.65 0.00 3.80 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 1.99 2.07 0.00 113 V 8.07 3.88 1.44 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 -0.37 0.00 0.00 0.87 0.00 0.00 114 Y 6.96 4.95 0.00 2.84 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 0.00 115 K 9.01 4.92 0.00 1.71 1.68 0.00 1.56 0.00 0.00 1.79 0.00 0.00 2.86 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.79 1.52 7.81 116 F 8.98 5.72 0.00 3.33 3.34 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 0.00 117 C 9.02 5.19 0.00 2.86 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 0.00 118 Q 9.77 5.10 0.00 2.27 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.73 0.00 0.00 0.00 0.00 0.00 1.52 2.03 0.00 119 T 8.96 5.16 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 0.00 120 F 9.10 5.46 0.00 2.88 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 0.00 121 I 8.60 4.94 1.90 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 1.25 0.75 0.93 0.00 0.00 122 L 8.92 5.01 0.00 1.31 1.44 0.02 -0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 123 L 8.66 5.16 0.00 1.72 1.51 0.91 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 124 P 0.00 4.09 0.00 1.84 1.40 0.00 3.85 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 1.93 2.12 0.00 125 S 8.20 4.42 0.00 3.64 3.75 0.00 0.00 0.00 0.00 0.00 0.00 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 8.78 4.13 0.00 3.94 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 0.00 127 N 8.06 4.59 0.00 2.76 2.76 0.00 0.00 6.49 7.51 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 0.00 128 G 7.70 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 0.00 0.00 0.00 129 S 9.45 4.01 0.00 3.85 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 0.00 130 T 7.17 4.71 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 1.24 0.00 0.00 131 F 8.71 5.09 0.00 2.77 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 0.00 132 D 8.66 5.19 0.00 2.56 2.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 133 I 8.50 4.33 1.25 0.00 0.00 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.36 0.98 0.00 0.00 134 T 9.03 4.70 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 1.24 0.00 0.00 135 N 7.94 5.51 0.00 2.65 2.72 0.00 0.00 6.53 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 0.00 136 D 9.27 5.09 0.00 3.02 2.77 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 0.00 137 I 8.63 4.93 1.79 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 1.05 0.48 0.83 0.00 0.00 138 I 8.85 5.01 1.92 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 0.91 1.71 0.55 0.00 0.00 139 R 8.82 4.67 0.00 1.69 1.72 0.00 3.24 0.00 0.00 3.02 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.64 0.00 140 F 8.40 5.41 0.00 2.37 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 0.00 0.00 0.00 141 I 8.62 4.64 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 1.14 0.99 0.90 0.00 0.00 142 S 8.72 4.60 0.00 3.96 3.84 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 0.00 143 N 8.77 4.53 0.00 2.74 2.71 0.00 0.00 6.84 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.