NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.4318 8.2649 122.4663 51.2758 21.1144 176.3451 3 I 4.3926 8.0699 117.1194 59.1091 40.9395 172.6851 4 T 4.9819 8.8290 123.8888 61.8275 70.8931 173.4960 5 V 4.2502 8.8330 127.3425 61.2990 33.6107 174.3537 6 S 5.0034 8.5895 124.1726 57.1399 64.3428 173.5633 7 I 4.5332 8.9742 125.9350 59.3614 40.3509 174.3788 8 E 5.1391 8.5962 126.2535 54.5654 32.5153 174.0527 9 L 4.9082 8.9371 125.8177 54.7419 44.6073 174.4142 10 N 5.7129 8.6053 115.4933 51.9292 42.8800 174.2580 11 R 4.8311 9.3377 120.0331 54.7077 34.8037 173.7553 12 D 5.6985 8.8616 122.2545 52.6148 43.4122 175.3957 13 L 4.8431 8.9310 121.6219 54.3468 44.6343 174.1523 14 E 5.0235 8.7459 120.2373 54.4905 32.1687 174.7628 15 I 4.4764 8.5189 127.8340 58.0380 39.6408 174.9789 16 P 4.5771 0.0000 0.0000 62.3164 30.8312 175.0304 17 A 4.6767 7.1061 119.1142 50.0389 23.0150 176.9090 18 S 4.5337 8.6596 116.0668 57.7456 64.9643 174.8517 19 Y 4.1346 8.5102 124.8201 60.4405 38.4977 178.3034 20 D 4.3609 8.2181 119.0448 57.4849 41.0286 178.5129 21 E 4.0256 7.9401 118.8612 59.3664 29.4853 179.6799 22 V 3.2416 7.6289 118.0918 65.8065 31.6077 177.5156 23 F 3.5884 7.9929 120.7079 61.6231 38.8574 176.9797 24 D 4.4609 8.0128 116.8286 57.0727 40.8812 178.3313 25 L 4.0495 7.8291 120.4574 58.2843 41.9836 179.1374 26 L 3.7956 7.5435 117.1242 57.2768 41.4815 178.6997 27 A 4.3958 7.7132 118.7898 52.3712 19.4151 177.6506 28 D 4.5219 7.6786 117.7649 52.2728 40.7709 176.6360 29 V 3.1935 7.7476 125.6464 65.2659 31.4470 175.5468 30 P 3.7858 0.0000 0.0000 65.3867 30.9126 178.8242 31 K 3.8924 7.7905 115.9107 59.2745 32.2911 179.0439 32 S 4.3230 8.5718 113.5437 61.5346 62.4013 176.1699 33 A 4.2880 8.7891 124.1327 54.9492 17.7399 179.5222 34 S 4.0600 7.5174 112.1863 61.1845 62.9054 175.4229 35 H 4.8057 8.0583 117.4586 54.5414 29.2844 174.3257 36 F 4.1447 7.7631 124.7844 56.0949 39.7240 173.6003 37 P 4.4443 0.0000 0.0000 63.5664 31.9765 176.1451 38 K 4.1674 8.6348 117.1977 57.5271 29.4321 175.7330 39 V 3.9179 7.2906 119.7010 62.7251 31.8827 175.2321 40 D 4.5734 9.0318 128.3076 56.8815 41.7647 176.2915 41 K 4.4988 7.6898 117.1498 54.9864 35.9047 174.0140 42 L 4.6352 8.2610 127.7828 53.2246 44.1029 175.3330 43 V 4.1176 8.6672 127.5785 61.2080 33.3203 174.6310 44 D 4.3490 8.6801 127.9199 53.7827 40.0332 175.4850 45 L 4.0658 8.0200 126.1616 54.4623 42.3493 178.4820 46 G 3.9076 8.2979 105.8650 46.1927 0.0000 172.6772 47 N 4.3615 8.8429 114.0758 54.8681 37.1361 173.3436 48 N 4.2371 8.1582 109.8633 54.2024 37.9922 172.2652 49 A 5.5912 7.4108 115.9495 50.2061 22.2806 176.2193 50 Y 5.1501 9.0524 116.6787 56.6592 43.2159 173.9738 51 R 5.0790 8.9243 123.6569 54.7302 32.4542 174.7290 52 W 4.8441 9.3401 126.7255 55.2864 31.0390 175.3206 53 E 4.9122 8.8925 123.3613 54.3220 33.3677 174.8189 *55 E 4.2859 8.5299 119.2475 56.0624 30.5558 176.5363 56 K 4.5212 8.4104 121.7428 56.8884 33.4823 176.7104 57 V 4.4466 9.2774 112.7500 60.2120 35.8335 173.5675 58 G 3.9413 8.5481 113.2271 45.4639 0.0000 173.8958 59 V 4.5338 7.4957 109.1420 59.2952 37.4090 176.2531 60 D 4.3010 8.3754 120.4387 55.9247 40.5705 175.9228 61 K 4.2249 8.6654 114.5679 57.7751 32.2049 176.9841 62 H 4.6723 7.6933 114.3238 55.2685 29.0892 174.9171 63 A 4.5094 7.5841 122.4730 51.9070 18.9611 177.3934 64 I 4.6625 9.6997 114.0133 59.3482 41.1210 174.5612 65 Q 4.7066 8.3213 124.2158 54.9627 31.9432 173.8390 66 S 4.5651 8.8800 121.9354 58.1049 63.3082 173.0612 67 V 4.8580 9.1226 127.3557 61.4299 34.7011 173.5873 68 Y 5.2854 8.5964 123.8674 56.0092 41.7194 173.2323 69 A 5.5076 8.8572 121.7032 50.6476 22.8300 174.7822 70 C 5.4343 9.3396 117.4690 58.4397 33.1060 173.1535 71 T 5.0383 9.0644 119.0531 62.6585 70.0109 173.3870 72 Y 5.3359 9.3207 124.4089 56.8449 40.3109 174.8620 73 H 5.0847 9.7791 122.5059 54.5825 33.3504 171.5303 74 A 5.1081 8.8144 127.3558 50.4584 21.3104 175.6997 75 D 4.6911 9.5474 122.4592 52.0784 42.2994 175.9689 76 K 2.9782 8.5536 126.9512 58.4275 32.7860 178.6774 77 E 3.8176 8.3219 118.6120 58.8764 29.5602 177.1949 78 A 4.2868 8.8526 119.5672 51.8261 19.4401 176.9058 79 G 4.7699 8.0531 104.5796 46.2825 0.0000 173.3124 80 K 5.3664 8.5233 119.0931 54.5547 36.4935 174.8522 81 I 5.3992 9.1868 127.2040 59.8579 40.6920 174.5685 82 T 5.0678 9.5012 117.1627 59.4763 72.4599 172.8525 83 W 5.4927 8.3285 119.6018 54.8785 31.6671 174.1684 84 S 5.1595 8.9421 118.4395 55.8189 65.9234 171.8905 85 P 4.8846 0.0000 0.0000 63.0381 31.9527 175.6682 86 I 4.3307 8.7335 123.7429 59.5878 38.4229 175.5157 87 K 3.9853 8.6322 129.1640 57.6757 32.6205 177.1020 88 G 3.9666 9.0077 113.5766 45.2131 0.0000 172.7672 89 E 4.4298 7.6587 118.9921 55.6119 31.0784 177.3950 90 G 3.8883 8.7486 113.5143 46.0765 0.0000 173.5406 91 N 5.0926 9.0486 122.0763 52.2553 39.0468 174.5084 92 G 4.4381 8.3340 104.9237 44.7321 0.0000 172.9383 93 V 4.4575 8.7358 121.9712 60.8829 33.9521 174.4131 94 V 4.8522 8.4135 127.7452 61.0431 34.0647 174.5576 95 S 4.7056 9.0521 121.3998 56.8036 67.1809 173.2840 96 G 3.3806 6.9289 105.8967 47.2463 0.0000 171.7969 97 S 4.3200 6.4293 111.9013 57.2034 66.6739 174.1111 98 W 5.5792 9.4179 121.3366 55.4749 31.9122 175.1777 99 T 5.2377 9.2948 120.2671 61.9373 71.0638 172.9359 100 L 5.5911 9.3550 127.1206 53.0507 44.8691 176.4325 101 S 4.7659 9.0890 116.1604 56.4424 66.4902 173.2222 102 A 4.2900 8.7791 126.3302 51.7411 18.6757 178.0779 103 K 4.3014 8.8526 122.8684 54.0917 31.6324 175.9569 104 G 3.9021 7.9042 107.8067 44.5727 0.0000 171.0018 105 D 4.5207 8.4271 116.5863 56.4981 41.0026 177.5763 106 N 5.1997 8.0985 114.0681 52.4231 40.4603 173.9850 107 A 4.9064 7.9289 119.6091 50.6537 22.8172 175.9857 108 T 5.0291 8.9131 116.8825 61.7459 72.7322 173.2184 109 A 4.5138 9.1078 129.0481 51.4190 20.5269 176.2757 110 V 5.0144 8.9414 121.0935 61.0792 35.3265 174.2186 111 K 5.2800 9.4459 127.1605 54.6888 34.8623 174.6468 112 F 5.0802 9.4657 127.9815 56.4705 41.7011 174.0875 113 Q 4.7401 7.8124 125.9555 54.6630 32.8032 173.7702 114 T 4.6752 8.4970 121.1721 62.0555 73.5106 172.7286 115 S 5.2030 8.8598 121.7525 56.6959 65.7072 173.1483 116 A 4.8364 8.9832 125.8822 50.2347 22.5687 174.4364 117 E 4.7508 9.0394 122.6325 54.6375 32.1130 175.0694 118 L 4.8414 8.7316 125.7918 53.1537 44.3208 175.7551 119 T 4.9733 8.7254 121.7024 62.0852 70.0027 174.5423 120 V 4.4701 8.9044 120.7864 58.6784 34.7886 174.1639 121 P 5.2934 0.0000 0.0000 61.4592 29.2430 174.9263 122 L 4.8863 7.5723 124.3138 52.4423 45.8230 174.9584 123 P 4.3257 0.0000 0.0000 63.0806 31.9238 178.0187 124 S 4.1389 8.7167 117.3231 60.9339 62.6889 176.0572 125 L 3.9146 8.0228 123.2727 57.9839 41.7811 177.7844 126 L 4.4339 7.8905 116.6191 54.2347 41.8948 177.9605 127 K 3.8060 8.0294 121.7443 59.9717 31.8593 178.5069 128 L 4.0014 7.8463 116.6319 57.5729 42.1961 178.9140 129 A 4.1736 7.8795 120.2825 55.0335 18.6491 179.4168 130 I 3.7156 8.1782 118.4262 63.7630 37.2766 178.5170 131 S 4.1247 8.1071 116.3912 61.4935 62.6815 175.1805 132 P 4.2880 0.0000 0.0000 65.2089 31.0200 179.0432 133 V 3.5887 7.1607 115.7092 66.0930 31.4815 177.9712 134 I 3.7750 7.8765 119.5914 64.4922 36.8579 178.5906 135 K 4.0190 8.2693 119.1885 59.6623 31.9098 178.7475 136 H 4.1213 8.5651 118.8278 59.4181 29.6738 176.9301 137 E 3.9675 8.3908 121.0066 59.1570 29.5064 178.4321 138 F 4.1123 8.5513 120.8852 61.5282 39.3997 176.9059 139 N 4.4239 8.7147 116.4102 56.2498 38.3013 177.4162 140 S 3.9984 8.1164 114.7108 61.1356 62.3865 176.1234 141 L 3.7488 8.0576 122.0131 57.8004 41.1588 179.6922 142 V 3.3435 7.2109 116.6258 65.9488 31.4835 177.3978 143 D 4.4443 7.9710 117.8311 57.7741 40.8812 178.6720 144 T 4.0113 7.8526 116.1659 66.4255 68.3255 176.4890 145 Y 4.4264 7.7862 118.4650 58.5914 38.8302 177.5313 *147 A 4.2512 7.9650 123.1242 51.8224 20.8881 179.6389 148 N 4.3524 8.4481 113.6077 56.2934 38.0567 177.7173 149 L 3.6568 7.9094 120.4228 57.6106 41.5071 179.4164 150 K 4.0451 7.8966 117.7244 59.5648 32.2303 178.4762 151 K 4.1345 7.8449 117.2814 58.8418 32.0982 178.8255 152 A 4.0098 7.6476 119.9812 53.6029 18.6455 177.9184 153 F 4.7884 7.4868 116.2277 57.6634 39.7077 175.8951 154 L 4.4000 7.6561 123.1195 55.0496 42.4793 176.9380 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 A 8.26 4.43 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 I 8.07 4.39 1.87 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 1.23 0.90 0.90 0.00 0.00 4 T 8.83 4.98 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 1.17 0.00 0.00 5 V 8.83 4.25 2.01 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 1.04 0.00 0.00 0.91 0.00 0.00 6 S 8.59 5.00 0.00 3.73 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 7 I 8.97 4.53 1.50 0.00 0.00 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.60 0.82 0.00 0.00 8 E 8.60 5.14 0.00 1.84 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 2.13 2.21 0.00 9 L 8.94 4.91 0.00 1.86 1.79 1.17 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 10 N 8.61 5.71 0.00 2.59 2.72 0.00 0.00 6.69 7.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 R 9.34 4.83 0.00 1.83 1.83 0.00 3.27 0.00 0.00 3.23 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.76 0.00 12 D 8.86 5.70 0.00 2.58 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 13 L 8.93 4.84 0.00 1.69 1.74 0.93 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 14 E 8.75 5.02 0.00 1.97 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 2.15 2.43 0.00 15 I 8.52 4.48 1.56 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 1.21 0.56 0.38 0.00 0.00 16 P 0.00 4.58 0.00 2.16 2.10 0.00 3.66 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.95 0.00 17 A 7.11 4.68 0.99 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 18 S 8.66 4.53 0.00 4.10 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 19 Y 8.51 4.13 0.00 3.07 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 20 D 8.22 4.36 0.00 2.77 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 21 E 7.94 4.03 0.00 2.07 2.14 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 2.38 2.34 0.00 22 V 7.63 3.24 1.80 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 0.63 0.00 0.00 0.30 0.00 0.00 23 F 7.99 3.59 0.00 2.36 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 24 D 8.01 4.46 0.00 2.82 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 25 L 7.83 4.05 0.00 1.75 1.92 0.84 0.21 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 26 L 7.54 3.80 0.00 1.10 0.85 -0.33 -0.08 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 27 A 7.71 4.40 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 D 7.68 4.52 0.00 2.83 2.67 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 0.00 29 V 7.75 3.19 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.02 0.00 0.00 0.02 0.00 0.00 30 P 0.00 3.79 0.00 2.06 1.91 0.00 3.67 0.00 0.00 3.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 1.93 0.00 31 K 7.79 3.89 0.00 1.69 1.80 0.00 1.67 0.00 0.00 1.76 0.00 0.00 2.94 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.40 1.55 7.81 32 S 8.57 4.32 0.00 4.12 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 0.00 33 A 8.79 4.29 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 S 7.52 4.06 0.00 3.84 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 35 H 8.06 4.81 0.00 3.52 3.49 0.00 5.84 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 F 7.76 4.14 0.00 2.70 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 37 P 0.00 4.44 0.00 2.21 2.08 0.00 2.50 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.71 0.00 38 K 8.63 4.17 0.00 2.04 2.02 0.00 1.79 0.00 0.00 1.67 0.00 0.00 2.94 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.37 1.44 7.81 39 V 7.29 3.92 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 0.65 0.00 0.00 1.24 0.00 0.00 40 D 9.03 4.57 0.00 2.79 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 41 K 7.69 4.50 0.00 1.78 1.51 0.00 1.66 0.00 0.00 1.70 0.00 0.00 2.73 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.33 1.35 7.81 42 L 8.26 4.64 0.00 1.05 1.18 -0.67 0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 43 V 8.67 4.12 2.03 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 0.89 0.00 0.00 0.87 0.00 0.00 44 D 8.68 4.35 0.00 2.69 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 45 L 8.02 4.07 0.00 1.70 1.64 0.92 0.96 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 46 G 8.30 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 N 8.84 4.36 0.00 2.83 2.90 0.00 0.00 7.00 7.79 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 48 N 8.16 4.24 0.00 3.10 3.11 0.00 0.00 6.79 8.55 0.00 0.00 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 A 7.41 5.59 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 Y 9.05 5.15 0.00 2.95 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 51 R 8.92 5.08 0.00 1.90 1.75 0.00 3.09 0.00 0.00 3.19 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.76 0.00 52 W 9.34 4.84 0.00 2.12 2.59 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.89 4.91 0.00 1.83 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 2.19 2.20 0.00 *55 E 8.53 4.29 0.00 2.03 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.44 0.00 56 K 8.41 4.52 0.00 2.02 1.85 0.00 1.60 0.00 0.00 1.72 0.00 0.00 2.96 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.42 1.48 7.81 57 V 9.28 4.45 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 0.77 0.00 0.00 0.96 0.00 0.00 58 G 8.55 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 59 V 7.50 4.53 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 0.90 0.00 0.00 0.95 0.00 0.00 60 D 8.38 4.30 0.00 2.80 2.33 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 61 K 8.67 4.22 0.00 1.72 1.80 0.00 1.73 0.00 0.00 1.69 0.00 0.00 3.01 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.47 1.41 7.81 62 H 7.69 4.67 0.00 3.14 3.33 0.00 5.85 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 A 7.58 4.51 1.29 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 0.00 0.00 0.00 0.00 0.00 64 I 9.70 4.66 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 1.44 0.98 0.94 0.00 0.00 65 Q 8.32 4.71 0.00 2.06 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.60 6.98 0.00 0.00 0.00 0.00 0.00 2.29 2.40 0.00 66 S 8.88 4.57 0.00 4.01 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 67 V 9.12 4.86 2.14 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 1.04 0.00 0.00 0.96 0.00 0.00 68 Y 8.60 5.29 0.00 3.07 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 69 A 8.86 5.51 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 C 9.34 5.43 0.00 2.97 2.81 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 71 T 9.06 5.04 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 1.33 0.00 0.00 72 Y 9.32 5.34 0.00 3.19 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 73 H 9.78 5.08 0.00 3.30 3.24 0.00 5.74 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 A 8.81 5.11 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 0.00 0.00 0.00 0.00 0.00 0.00 75 D 9.55 4.69 0.00 2.77 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 76 K 8.55 2.98 0.00 1.31 1.53 0.00 1.42 0.00 0.00 1.56 0.00 0.00 2.89 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.20 0.21 7.81 77 E 8.32 3.82 0.00 1.96 2.12 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 2.28 2.30 0.00 78 A 8.85 4.29 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 0.00 0.00 0.00 0.00 0.00 79 G 8.05 4.77 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 80 K 8.52 5.37 0.00 1.97 1.74 0.00 1.64 0.00 0.00 1.70 0.00 0.00 2.90 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.41 1.52 7.81 81 I 9.19 5.40 2.34 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 1.16 0.43 1.39 0.00 0.00 82 T 9.50 5.07 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 1.21 0.00 0.00 83 W 8.33 5.49 0.00 2.71 2.12 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 84 S 8.94 5.16 0.00 3.76 3.74 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 85 P 0.00 4.88 0.00 2.09 2.26 0.00 3.72 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.96 0.00 86 I 8.73 4.33 1.95 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 1.20 0.95 0.00 0.00 87 K 8.63 3.99 0.00 1.72 1.72 0.00 1.79 0.00 0.00 1.71 0.00 0.00 3.04 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.43 1.44 7.81 88 G 9.01 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 0.00 0.00 0.00 89 E 7.66 4.43 0.00 2.07 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.43 0.00 90 G 8.75 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 N 9.05 5.09 0.00 2.98 3.01 0.00 0.00 7.04 6.70 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 92 G 8.33 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 0.00 0.00 0.00 0.00 93 V 8.74 4.46 2.03 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 0.98 0.00 0.00 0.92 0.00 0.00 94 V 8.41 4.85 1.94 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 0.88 0.00 0.00 -0.01 0.00 0.00 95 S 9.05 4.71 0.00 3.68 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 96 G 6.93 3.38 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 S 6.43 4.32 0.00 3.76 3.49 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 0.00 98 W 9.42 5.58 0.00 3.40 3.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 T 9.29 5.24 4.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 100 L 9.35 5.59 0.00 1.82 1.82 1.05 0.58 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 0.00 101 S 9.09 4.77 0.00 3.87 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 0.00 102 A 8.78 4.29 1.18 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 0.00 0.00 103 K 8.85 4.30 0.00 1.68 1.75 0.00 1.75 0.00 0.00 1.72 0.00 0.00 3.00 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.38 1.50 7.81 104 G 7.90 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 0.00 105 D 8.43 4.52 0.00 2.72 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 0.00 106 N 8.10 5.20 0.00 2.52 2.75 0.00 0.00 6.61 7.35 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 0.00 107 A 7.93 4.91 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 T 8.91 5.03 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 1.25 0.00 0.00 109 A 9.11 4.51 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 0.00 110 V 8.94 5.01 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 1.30 0.00 0.00 0.86 0.00 0.00 111 K 9.45 5.28 0.00 1.82 1.76 0.00 1.73 0.00 0.00 1.62 0.00 0.00 2.87 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.62 1.44 7.81 112 F 9.47 5.08 0.00 2.94 2.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 Q 7.81 4.74 0.00 1.88 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.53 0.00 0.00 0.00 0.00 0.00 2.35 2.29 0.00 114 T 8.50 4.68 4.33 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 1.38 0.00 0.00 115 S 8.86 5.20 0.00 3.58 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 0.00 116 A 8.98 4.84 0.71 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 0.00 0.00 117 E 9.04 4.75 0.00 1.82 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 2.12 2.17 0.00 118 L 8.73 4.84 0.00 1.47 1.52 0.71 0.60 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 0.00 119 T 8.73 4.97 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 0.00 120 V 8.90 4.47 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 0.86 0.00 0.00 0.99 0.00 0.00 121 P 0.00 5.29 0.00 2.08 2.09 0.00 3.72 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.00 0.00 122 L 7.57 4.89 0.00 1.62 1.58 0.94 1.15 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 0.00 123 P 0.00 4.33 0.00 2.18 2.00 0.00 3.61 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.11 0.00 124 S 8.72 4.14 0.00 4.04 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 0.00 125 L 8.02 3.91 0.00 1.64 1.78 0.92 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 126 L 7.89 4.43 0.00 1.81 1.67 0.93 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 127 K 8.03 3.81 0.00 1.93 1.82 0.00 1.63 0.00 0.00 1.63 0.00 0.00 2.92 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.44 1.50 7.81 128 L 7.85 4.00 0.00 1.65 1.71 0.92 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 129 A 7.88 4.17 1.31 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 0.00 0.00 130 I 8.18 3.72 2.04 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 0.50 0.92 0.00 0.00 131 S 8.11 4.12 0.00 3.92 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 132 P 0.00 4.29 0.00 2.16 2.11 0.00 3.67 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.14 0.00 133 V 7.16 3.59 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 1.06 0.00 0.00 0.99 0.00 0.00 134 I 7.88 3.77 2.00 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.69 0.92 0.00 0.00 135 K 8.27 4.02 0.00 2.01 1.90 0.00 1.68 0.00 0.00 1.58 0.00 0.00 2.89 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.43 1.62 7.81 136 H 8.57 4.12 0.00 3.39 3.53 0.00 5.78 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 137 E 8.39 3.97 0.00 2.21 2.24 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 2.39 2.46 0.00 138 F 8.55 4.11 0.00 3.31 3.21 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 0.00 139 N 8.71 4.42 0.00 3.02 2.87 0.00 0.00 6.69 8.25 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 0.00 140 S 8.12 4.00 0.00 3.91 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 0.00 141 L 8.06 3.75 0.00 1.65 1.41 1.06 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 142 V 7.21 3.34 2.12 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 0.79 0.00 0.00 0.86 0.00 0.00 143 D 7.97 4.44 0.00 2.78 2.67 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 0.00 144 T 7.85 4.01 4.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 145 Y 7.79 4.43 0.00 2.34 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 *147 A 7.96 4.25 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 0.00 148 N 8.45 4.35 0.00 2.98 2.92 0.00 0.00 7.01 7.19 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 0.00 149 L 7.91 3.66 0.00 1.50 1.58 0.22 0.40 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 0.00 150 K 7.90 4.05 0.00 1.74 1.84 0.00 1.77 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 3.25 0.00 0.00 0.00 0.00 1.44 1.55 7.81 151 K 7.84 4.13 0.00 1.77 1.83 0.00 1.74 0.00 0.00 1.70 0.00 0.00 3.12 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.46 1.58 7.81 152 A 7.65 4.01 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 153 F 7.49 4.79 0.00 3.16 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 0.00 154 L 7.66 4.40 0.00 1.63 1.51 0.92 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.