NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.8947 8.1633 120.7134 55.2482 33.7442 173.7682 2 R 4.9631 8.7083 123.5928 51.7209 32.9921 170.4776 3 V 5.0665 8.9369 122.0893 60.0638 36.1252 174.3446 4 V 4.7389 9.0759 122.8160 61.5590 33.7763 174.0061 5 I 4.9414 8.8275 130.1534 60.2921 38.8964 175.2338 6 Q 5.7070 9.2174 125.3339 53.1355 33.0616 174.4451 7 R 4.7694 8.5225 123.3321 55.5101 31.3868 175.2708 8 V 4.9959 9.2776 120.5640 59.7188 34.8819 176.7900 9 K 4.1835 9.0670 122.6594 57.1454 32.9353 176.7099 10 G 4.5590 7.6878 106.4805 45.8886 0.0000 172.1328 11 A 5.1080 8.4195 120.9400 50.9438 23.2798 175.3510 12 I 4.7609 8.6133 124.2083 59.5092 39.7279 174.4167 13 L 5.0979 8.9077 129.7536 53.5051 44.2283 175.4577 14 S 5.2604 9.2247 121.6446 57.1590 67.2549 172.9113 15 V 4.7422 8.1654 111.6553 60.1724 36.2229 174.9301 16 R 4.4441 8.6385 121.3721 56.5935 30.2302 177.3553 17 K 4.0818 8.4873 121.7362 58.2202 32.4023 177.9335 18 E 3.6628 8.0105 113.6796 57.1747 27.9357 175.5987 *26 E 4.3581 7.7646 118.5702 56.3406 31.2372 174.5011 27 L 4.9392 7.7723 119.1568 52.8912 44.9867 174.8966 28 E 4.6333 9.1089 122.7969 54.2702 31.8700 175.3631 29 I 4.4860 8.7711 128.2488 61.1298 37.4044 175.9151 30 I 4.5208 8.6019 117.7162 61.5448 39.9451 175.9017 31 S 4.8100 7.8403 116.3791 56.7762 67.4378 172.8913 32 E 5.2682 8.4936 122.3281 55.1112 32.4872 174.0192 33 I 4.8393 8.6517 119.0737 58.5821 42.0280 177.2186 34 K 4.7276 9.9646 126.5947 56.1907 30.4363 180.2948 35 N 4.7101 8.7699 127.2755 52.9309 39.4619 174.2532 36 G 4.3026 7.5054 110.3080 45.7741 0.0000 171.1129 37 L 5.3575 8.1346 121.9699 52.9064 45.5590 175.5820 38 I 4.6742 8.7930 122.6107 59.3758 40.7784 173.7990 39 C 5.1545 8.6884 127.1572 58.0981 31.0205 173.2299 40 F 5.0194 9.0823 124.3004 56.1923 39.8012 174.4646 41 L 5.0962 9.1998 127.6721 53.2340 44.3613 175.2405 42 G 4.5604 9.3902 113.6600 44.5488 0.0000 171.7057 43 I 4.9119 8.8410 126.0318 60.9211 39.2756 174.0861 44 H 4.4633 10.8581 127.9317 55.7074 30.9294 176.5580 45 K 4.3962 8.2094 126.8252 58.4913 31.9663 178.3037 46 N 4.8781 7.8909 115.9375 52.7813 38.9696 175.0558 47 D 4.7783 7.7016 118.6479 53.6229 42.2451 177.4640 48 T 4.4629 8.7411 114.7095 60.4021 70.2939 175.5076 49 W 4.7020 8.8288 130.5471 59.6728 30.6300 177.5792 50 E 4.0025 8.5169 118.6841 59.8124 28.7123 178.6017 51 D 4.3910 7.9497 117.8792 57.0728 41.0930 178.4147 52 A 3.9349 7.7332 120.7582 55.1753 18.3609 179.6262 53 L 3.4880 6.9792 116.8739 57.4019 41.5974 179.0274 54 Y 3.8929 7.7392 119.8799 60.0237 38.6641 177.6541 55 I 3.7375 7.7345 121.0842 64.2887 37.5217 178.0777 56 I 2.9322 7.2178 120.0085 64.2014 36.8067 177.9280 57 R 3.7339 7.3375 118.8819 59.4693 29.8535 178.3876 58 K 3.7228 7.4712 117.2650 59.9179 31.9305 179.0543 59 C 4.1843 8.3312 115.5284 62.7173 27.1643 175.6539 60 L 4.5264 7.9353 119.4877 55.8585 41.5484 177.6681 61 N 4.5333 7.8095 113.0845 52.5349 39.6514 174.8179 62 L 3.9315 8.0134 120.7473 54.9404 41.8169 176.7614 63 R 5.3761 8.4738 123.1504 55.4113 29.0381 175.8886 64 L 5.1243 8.6557 121.1095 54.0454 43.5822 176.5111 65 W 4.8278 8.4450 118.9780 55.2786 32.2367 174.7220 66 N 5.1416 8.7423 118.4267 52.3323 40.8071 175.7387 67 N 4.9168 8.7565 117.3897 52.7275 41.1287 176.4287 68 D 4.3594 8.1084 126.9638 55.0882 39.8506 177.3438 69 N 4.4523 9.0610 126.7699 55.8367 37.5116 175.0471 70 K 4.4268 8.1021 119.5978 55.3157 33.3440 175.7449 71 T 4.7163 8.0726 111.7884 60.2981 71.5899 173.7738 72 W 3.8634 7.4554 119.2500 58.0836 26.6632 172.9701 73 D 4.9022 9.7018 118.1351 54.7217 43.6437 176.1272 74 K 5.0655 8.2888 116.2467 54.6439 35.6881 175.0053 75 N 6.0127 9.0260 119.0398 49.9840 40.3149 175.8141 76 V 3.5365 9.0842 118.3427 64.9207 31.5183 178.7147 77 K 3.5853 7.8697 120.0184 58.8735 32.2929 178.6364 78 D 4.2472 8.3739 118.3289 57.4988 40.6875 178.0303 79 L 3.9647 7.0443 115.4255 53.8673 41.2919 175.9969 80 N 4.6115 7.6100 114.5824 53.5007 37.8367 173.7316 81 Y 4.8619 7.7322 113.2575 57.2201 39.8872 174.7782 82 E 4.7865 8.7808 119.6961 55.1115 32.6121 175.4236 83 L 5.1093 8.5673 120.2226 52.8998 46.0134 175.7797 84 L 5.3824 8.3473 124.6967 52.6366 44.4479 174.9632 85 I 4.3400 7.9579 127.9367 60.4728 38.9765 175.3961 86 V 4.6763 8.6623 126.3563 61.0203 34.5629 174.4590 87 S 4.8776 8.9443 123.1398 59.0912 63.5529 174.1156 88 Q 4.3091 9.5081 127.6659 55.3851 30.5637 174.5302 89 F 4.5300 8.1992 122.3525 59.2163 38.8164 177.9098 90 T 4.0061 6.9172 111.1920 63.7290 68.3309 175.2995 91 L 4.1484 7.6197 120.9447 56.4393 41.5002 177.1591 92 F 5.0144 8.6402 116.4600 56.8230 40.8290 175.2357 93 G 4.0671 8.3787 106.3058 46.8512 0.0000 173.0670 94 N 4.7548 9.2688 127.6254 52.8559 39.7342 175.2365 95 T 4.5879 8.3680 115.6433 61.4126 69.3445 175.6969 96 K 4.0338 8.2862 126.1746 59.7220 32.7092 178.9073 97 K 4.3537 7.6031 120.1259 52.2597 30.9282 175.6806 98 G 3.7862 7.7777 107.0183 44.7931 0.0000 171.8292 99 N 4.4664 8.6157 116.5737 54.1245 38.8857 176.6577 100 K 4.3431 7.5435 120.3240 51.6598 31.3814 179.0985 101 P 4.1130 0.0000 0.0000 61.9180 32.0062 176.3284 102 D 4.4915 8.2772 121.4273 52.4098 41.3091 176.6456 103 F 4.9847 7.5391 130.6404 57.2575 38.2046 176.1931 104 H 4.4270 8.0109 117.3773 57.4259 29.8234 176.8958 105 L 4.2251 7.8156 117.4210 55.1386 42.8847 176.1817 106 A 4.4256 7.7309 121.7635 50.7643 18.8831 177.2086 107 K 3.7257 8.3416 124.2662 57.0386 32.9620 176.5349 108 E 4.0599 8.9213 125.2829 56.3629 30.3526 176.2140 109 P 4.4254 0.0000 0.0000 66.1154 31.2129 178.6125 110 N 4.2582 8.2881 114.5537 56.6234 38.3819 177.2118 111 E 3.9054 8.1469 118.9132 59.2248 29.6933 178.7859 112 A 4.1892 8.6443 121.1769 55.3032 18.5094 179.1106 113 L 2.5859 8.6586 119.8586 58.2960 42.0972 179.1248 114 I 3.8540 7.3978 117.6626 63.5151 37.8693 177.6280 115 F 4.3901 8.5423 122.1595 61.3845 39.2268 176.5205 116 Y 4.1199 9.1415 120.0647 60.9477 38.7373 177.7843 117 N 4.5162 8.5029 117.2366 55.7535 38.5253 177.4835 118 K 3.8979 7.9129 121.2368 59.5051 32.2159 178.3943 119 I 3.6500 7.9035 120.0453 64.9263 37.0710 178.0045 120 I 3.5915 8.0969 120.3830 65.0424 37.0503 178.2778 121 D 4.4496 8.1715 119.1815 56.9785 40.5955 178.4108 122 E 4.0856 8.4289 120.2473 58.9508 29.7209 178.4485 123 F 4.2086 8.9756 119.0528 60.7063 38.1414 177.8225 124 K 3.9823 8.3040 117.6366 59.3937 31.7181 178.9850 125 K 3.9590 7.8811 118.5099 59.9790 32.0716 178.3225 126 Q 4.1529 8.3877 116.7732 59.8685 29.1767 176.9835 127 Y 4.2931 8.3916 121.0607 56.5627 38.8259 173.6941 128 N 4.6625 7.2723 118.0676 52.7937 43.6227 174.4365 129 D 4.4914 8.6338 124.0291 57.7187 41.3577 178.5773 130 D 4.4127 7.9854 116.3913 56.6641 41.1340 177.2284 131 K 4.1339 9.3513 118.4440 56.3077 32.2429 175.6942 132 I 4.7610 7.0419 119.5140 59.2594 39.7690 175.1736 133 K 4.7402 9.5399 126.7335 54.4393 35.9005 175.5022 134 I 5.3420 7.8757 116.3906 58.6531 40.8136 174.5476 135 G 4.1157 7.8284 109.7355 45.0984 0.0000 172.6918 136 K 4.4704 8.4181 122.6275 54.3274 32.5419 176.6273 137 F 3.8406 8.9459 129.2219 59.7033 39.5351 174.6267 138 G 3.8420 7.7069 114.4772 46.3071 0.0000 172.4971 139 N 5.0290 7.4775 115.0011 50.7568 41.2365 173.9075 140 Y 4.2014 8.4207 121.2318 57.7956 39.5065 174.6121 141 M 4.9157 7.5721 125.4279 53.3863 36.1109 174.1641 142 N 4.7309 8.5157 119.9100 51.9429 41.3352 173.4276 143 I 4.8984 8.2153 126.6839 59.5096 39.9963 174.9484 144 D 4.5989 8.8483 128.8399 53.8424 41.7921 175.8428 145 V 4.5648 8.3596 123.7260 61.4822 34.0029 175.8264 146 T 4.3603 8.6961 125.7095 62.2281 68.1192 172.1607 147 N 4.6103 8.4741 121.9736 53.3829 39.3243 174.4318 148 D 4.2130 10.4199 126.4087 54.4864 40.3939 175.7488 149 G 4.2927 8.4864 119.7798 45.1014 0.0000 169.3044 150 P 4.3573 0.0000 0.0000 61.3532 32.9439 176.2817 151 V 4.3725 8.1605 118.5511 61.7482 34.0381 173.9008 152 T 5.1708 8.5951 124.6699 61.8623 70.5398 174.0825 153 I 4.6659 9.0977 126.7323 59.6846 41.1590 174.2721 154 Y 5.1706 8.4258 124.7735 56.4403 41.3274 174.0555 155 I 4.2326 8.0015 127.2592 59.3807 40.5328 174.5988 156 D 4.9007 8.0776 125.0257 52.3041 42.9894 175.6767 157 T 3.4791 8.9380 118.3020 65.0801 68.6544 176.0995 158 H 4.2594 8.2449 115.2327 57.1569 28.4085 175.2627 159 D 4.8321 8.0973 118.4682 53.9413 41.0975 175.4403 160 I 4.6174 7.8989 119.7733 59.7349 41.2780 175.1695 161 N 4.5051 8.4820 117.3943 53.5861 38.6745 175.2651 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 1 M 8.16 4.89 0.00 1.73 2.04 0.00 0.00 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.15 0.00 2 R 8.71 4.96 0.00 1.36 1.84 0.00 2.21 0.00 0.00 3.14 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.58 0.00 3 V 8.94 5.07 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 0.00 0.00 1.08 0.00 0.00 4 V 9.08 4.74 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 1.09 0.00 0.00 1.05 0.00 0.00 5 I 8.83 4.94 1.91 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 1.30 0.76 0.94 0.00 0.00 6 Q 9.22 5.71 0.00 2.03 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.87 0.00 0.00 0.00 0.00 0.00 2.32 2.22 0.00 7 R 8.52 4.77 0.00 1.72 1.72 0.00 2.21 0.00 0.00 2.81 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.05 0.00 8 V 9.28 5.00 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 0.78 0.00 0.00 0.98 0.00 0.00 9 K 9.07 4.18 0.00 1.61 1.84 0.00 1.93 0.00 0.00 1.71 0.00 0.00 2.90 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.45 1.41 7.81 10 G 7.69 4.56 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 A 8.42 5.11 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 12 I 8.61 4.76 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 1.10 0.64 0.90 0.00 0.00 13 L 8.91 5.10 0.00 1.64 1.47 0.87 0.68 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 14 S 9.22 5.26 0.00 3.74 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 V 8.17 4.74 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 0.74 0.00 0.00 0.96 0.00 0.00 16 R 8.64 4.44 0.00 1.71 1.86 0.00 3.07 0.00 0.00 3.14 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.68 0.00 17 K 8.49 4.08 0.00 1.77 1.87 0.00 1.88 0.00 0.00 1.77 0.00 0.00 3.03 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.55 1.55 7.81 18 E 8.01 3.66 0.00 2.15 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.34 0.00 *26 E 7.76 4.36 0.00 2.15 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 0.00 2.29 2.43 0.00 27 L 7.77 4.94 0.00 1.57 1.58 0.96 0.89 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 28 E 9.11 4.63 0.00 1.97 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 0.00 2.19 2.25 0.00 29 I 8.77 4.49 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 1.03 1.65 0.96 0.00 0.00 30 I 8.60 4.52 1.88 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 1.38 0.67 0.99 0.00 0.00 31 S 7.84 4.81 0.00 3.71 3.69 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 32 E 8.49 5.27 0.00 1.91 1.74 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 2.17 2.28 0.00 33 I 8.65 4.84 1.95 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 1.22 0.84 0.00 0.00 34 K 9.96 4.73 0.00 1.62 0.86 0.00 1.65 0.00 0.00 1.61 0.00 0.00 2.90 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.37 1.51 7.81 35 N 8.77 4.71 0.00 1.62 1.42 0.00 0.00 6.69 7.58 0.00 0.00 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 G 7.51 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 37 L 8.13 5.36 0.00 1.72 1.60 1.10 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 0.00 0.00 0.00 0.00 0.00 0.00 38 I 8.79 4.67 1.83 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 1.76 1.03 0.00 0.00 39 C 8.69 5.15 0.00 2.82 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 40 F 9.08 5.02 0.00 3.00 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 41 L 9.20 5.10 0.00 1.90 1.75 1.07 1.12 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 42 G 9.39 4.56 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 I 8.84 4.91 2.10 0.00 0.00 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 1.64 1.46 0.88 0.00 0.00 44 H 10.86 4.46 0.00 3.07 3.52 0.00 5.61 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 K 8.21 4.40 0.00 1.49 1.70 0.00 1.65 0.00 0.00 1.71 0.00 0.00 2.89 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.38 1.35 7.81 46 N 7.89 4.88 0.00 2.73 2.80 0.00 0.00 6.90 8.06 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 47 D 7.70 4.78 0.00 2.44 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 48 T 8.74 4.46 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 1.25 0.00 0.00 49 W 8.83 4.70 0.00 3.54 3.20 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 50 E 8.52 4.00 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 2.42 2.54 0.00 51 D 7.95 4.39 0.00 3.03 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 52 A 7.73 3.93 0.38 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 53 L 6.98 3.49 0.00 1.60 1.49 0.92 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.47 0.00 0.00 0.00 0.00 0.00 0.00 54 Y 7.74 3.89 0.00 3.17 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 55 I 7.73 3.74 1.96 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.69 0.95 0.00 0.00 56 I 7.22 2.93 1.34 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 0.47 -0.36 0.48 0.00 0.00 57 R 7.34 3.73 0.00 1.68 1.79 0.00 2.95 0.00 0.00 3.05 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.54 0.00 58 K 7.47 3.72 0.00 1.86 1.76 0.00 1.64 0.00 0.00 1.47 0.00 0.00 2.61 0.00 0.00 2.87 0.00 0.00 0.00 0.00 0.82 1.26 7.81 59 C 8.33 4.18 0.00 3.36 3.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 L 7.94 4.53 0.00 2.05 1.75 1.11 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 61 N 7.81 4.53 0.00 2.67 2.81 0.00 0.00 7.05 8.01 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 62 L 8.01 3.93 0.00 1.89 1.63 0.90 0.65 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 63 R 8.47 5.38 0.00 1.91 1.99 0.00 3.24 0.00 0.00 3.93 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.86 0.00 64 L 8.66 5.12 0.00 0.66 1.37 0.75 0.90 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 65 W 8.45 4.83 0.00 3.41 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 66 N 8.74 5.14 0.00 2.56 2.75 0.00 0.00 6.69 8.00 0.00 0.00 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 N 8.76 4.92 0.00 2.69 2.68 0.00 0.00 7.42 8.82 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 68 D 8.11 4.36 0.00 2.80 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 0.00 0.00 0.00 0.00 69 N 9.06 4.45 0.00 2.82 2.95 0.00 0.00 5.87 7.13 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 70 K 8.10 4.43 0.00 1.84 1.77 0.00 1.61 0.00 0.00 1.71 0.00 0.00 2.96 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.42 1.52 7.81 71 T 8.07 4.72 3.61 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 1.07 0.00 0.00 72 W 7.46 3.86 0.00 3.40 3.27 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 73 D 9.70 4.90 0.00 2.64 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 74 K 8.29 5.07 0.00 1.83 1.67 0.00 1.67 0.00 0.00 1.90 0.00 0.00 2.91 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.48 1.32 7.81 75 N 9.03 6.01 0.00 3.11 3.12 0.00 0.00 6.61 7.59 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 76 V 9.08 3.54 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 1.06 0.00 0.00 1.22 0.00 0.00 77 K 7.87 3.59 0.00 1.87 1.39 0.00 1.14 0.00 0.00 1.33 0.00 0.00 2.79 0.00 0.00 2.89 0.00 0.00 0.00 0.00 0.30 1.00 7.81 78 D 8.37 4.25 0.00 2.82 2.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 L 7.04 3.96 0.00 0.27 0.13 0.11 1.20 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 80 N 7.61 4.61 0.00 2.68 2.77 0.00 0.00 7.17 8.15 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 81 Y 7.73 4.86 0.00 2.72 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 82 E 8.78 4.79 0.00 1.88 1.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.24 0.00 83 L 8.57 5.11 0.00 1.33 1.18 1.04 0.38 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 84 L 8.35 5.38 0.00 1.65 1.39 0.92 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 85 I 7.96 4.34 1.70 0.00 0.00 0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.55 0.90 0.00 0.00 86 V 8.66 4.68 1.78 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 0.98 0.00 0.00 0.70 0.00 0.00 87 S 8.94 4.88 0.00 3.64 3.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 Q 9.51 4.31 0.00 2.25 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.58 0.00 0.00 0.00 0.00 0.00 2.16 2.13 0.00 89 F 8.20 4.53 0.00 3.30 3.36 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 90 T 6.92 4.01 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 0.75 0.00 0.00 91 L 7.62 4.15 0.00 1.62 1.42 1.04 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 92 F 8.64 5.01 0.00 3.30 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 93 G 8.38 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 0.00 0.00 0.00 94 N 9.27 4.75 0.00 2.92 2.72 0.00 0.00 6.48 6.93 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 95 T 8.37 4.59 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 96 K 8.29 4.03 0.00 1.95 1.91 0.00 1.69 0.00 0.00 1.75 0.00 0.00 3.08 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.48 1.39 7.81 97 K 7.60 4.35 0.00 1.75 1.61 0.00 1.78 0.00 0.00 1.71 0.00 0.00 2.92 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.26 0.97 7.81 98 G 7.78 3.79 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 0.00 0.00 0.00 99 N 8.62 4.47 0.00 2.71 2.86 0.00 0.00 6.60 7.61 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 0.00 100 K 7.54 4.34 0.00 1.76 1.63 0.00 1.85 0.00 0.00 1.70 0.00 0.00 2.94 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.27 1.00 7.81 101 P 0.00 4.11 0.00 1.13 1.81 0.00 3.53 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 2.12 2.12 0.00 102 D 8.28 4.49 0.00 2.63 2.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 F 7.54 4.98 0.00 3.00 2.86 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 0.00 104 H 8.01 4.43 0.00 3.44 3.34 0.00 5.69 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 L 7.82 4.23 0.00 1.27 1.18 1.02 0.96 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 0.00 106 A 7.73 4.43 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 0.00 107 K 8.34 3.73 0.00 1.77 1.77 0.00 1.74 0.00 0.00 1.66 0.00 0.00 2.62 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.50 1.43 7.81 108 E 8.92 4.06 0.00 2.21 1.90 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 2.37 2.32 0.00 109 P 0.00 4.43 0.00 2.24 2.26 0.00 3.63 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.19 0.00 110 N 8.29 4.26 0.00 2.75 2.90 0.00 0.00 7.05 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 0.00 111 E 8.15 3.91 0.00 2.22 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 0.00 2.40 2.45 0.00 112 A 8.64 4.19 1.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 L 8.66 2.59 0.00 1.12 1.77 0.39 0.89 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 0.00 114 I 7.40 3.85 1.88 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.47 1.08 0.00 0.00 115 F 8.54 4.39 0.00 3.34 3.39 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 0.00 116 Y 9.14 4.12 0.00 3.36 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 0.00 117 N 8.50 4.52 0.00 2.89 2.88 0.00 0.00 6.70 6.22 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 0.00 118 K 7.91 3.90 0.00 1.90 1.91 0.00 1.28 0.00 0.00 1.01 0.00 0.00 2.13 0.00 0.00 2.41 0.00 0.00 0.00 0.00 0.30 1.07 7.81 119 I 7.90 3.65 1.88 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 1.27 0.18 0.87 0.00 0.00 120 I 8.10 3.59 1.81 0.00 0.00 0.50 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 0.84 0.89 0.00 0.00 121 D 8.17 4.45 0.00 2.87 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 0.00 122 E 8.43 4.09 0.00 2.59 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 2.80 2.43 0.00 123 F 8.98 4.21 0.00 3.27 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 0.00 124 K 8.30 3.98 0.00 1.85 1.87 0.00 1.71 0.00 0.00 1.69 0.00 0.00 2.89 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.46 1.83 7.81 125 K 7.88 3.96 0.00 1.80 2.15 0.00 1.83 0.00 0.00 1.74 0.00 0.00 3.04 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.51 1.56 7.81 126 Q 8.39 4.15 0.00 2.20 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.71 0.00 0.00 0.00 0.00 0.00 2.41 2.38 0.00 127 Y 8.39 4.29 0.00 3.13 2.72 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 0.00 0.00 0.00 128 N 7.27 4.66 0.00 3.01 2.82 0.00 0.00 7.30 8.35 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 0.00 129 D 8.63 4.49 0.00 2.79 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 0.00 130 D 7.99 4.41 0.00 2.73 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 0.00 131 K 9.35 4.13 0.00 0.79 1.10 0.00 1.69 0.00 0.00 1.53 0.00 0.00 2.86 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.38 1.37 7.81 132 I 7.04 4.76 1.72 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 0.83 0.28 0.72 0.00 0.00 133 K 9.54 4.74 0.00 1.53 1.59 0.00 1.60 0.00 0.00 1.65 0.00 0.00 2.83 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.28 1.26 7.81 134 I 7.88 5.34 2.09 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 1.32 1.26 0.94 0.00 0.00 135 G 7.83 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 0.00 0.00 0.00 0.00 136 K 8.42 4.47 0.00 1.82 1.72 0.00 1.77 0.00 0.00 1.90 0.00 0.00 2.88 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.48 1.46 7.81 137 F 8.95 3.84 0.00 2.82 2.88 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 0.00 138 G 7.71 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 0.00 0.00 0.00 139 N 7.48 5.03 0.00 2.88 2.77 0.00 0.00 6.82 7.95 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 0.00 140 Y 8.42 4.20 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 0.00 141 M 7.57 4.92 0.00 1.77 1.72 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.43 0.00 142 N 8.52 4.73 0.00 2.93 2.68 0.00 0.00 7.14 7.54 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 0.00 143 I 8.22 4.90 1.91 0.00 0.00 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 1.31 0.63 0.91 0.00 0.00 144 D 8.85 4.60 0.00 2.62 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 0.00 145 V 8.36 4.56 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 0.89 0.00 0.00 0.99 0.00 0.00 146 T 8.70 4.36 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 1.21 0.00 0.00 147 N 8.47 4.61 0.00 2.62 2.80 0.00 0.00 7.05 8.06 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 0.00 148 D 10.42 4.21 0.00 2.63 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 0.00 149 G 8.49 4.29 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 0.00 150 P 0.00 4.36 0.00 2.21 2.07 0.00 3.72 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.95 0.00 151 V 8.16 4.37 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 1.21 0.00 0.00 1.03 0.00 0.00 152 T 8.60 5.17 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 1.23 0.00 0.00 153 I 9.10 4.67 1.88 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 1.04 0.90 0.00 0.00 154 Y 8.43 5.17 0.00 2.86 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 0.00 155 I 8.00 4.23 1.82 0.00 0.00 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 1.09 0.99 1.01 0.00 0.00 156 D 8.08 4.90 0.00 2.43 2.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 157 T 8.94 3.48 4.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 158 H 8.24 4.26 0.00 3.37 3.37 0.00 5.81 0.00 0.00 0.00 0.00 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 159 D 8.10 4.83 0.00 2.70 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 0.00 160 I 7.90 4.62 1.48 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.36 0.73 0.00 0.00 161 N 8.48 4.51 0.00 2.67 2.67 0.00 0.00 6.73 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.