NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 K 4.3119 8.3149 120.1405 56.1583 33.5124 175.1445 7 L 4.4405 8.1920 120.9456 52.7873 42.8617 174.6017 8 H 5.0622 8.9795 116.3081 54.0601 32.4688 172.7075 9 K 4.6042 8.6581 120.0152 56.1770 33.2731 176.0448 10 E 5.0242 9.0249 122.4293 53.7350 33.6947 173.7110 11 P 5.0037 0.0000 0.0000 63.2748 32.3909 174.9641 12 A 4.9459 8.4586 121.8115 51.3900 23.1306 175.5032 13 T 4.6143 8.7229 115.3463 61.2671 71.8824 173.8980 14 L 4.1808 8.7493 128.6889 55.9774 42.2868 175.4300 15 I 4.3713 8.3832 126.2079 62.0600 38.9340 175.9639 16 K 4.4648 7.5589 119.6981 55.4279 35.5613 173.7176 17 A 4.5146 8.7536 130.7476 51.9684 19.4827 176.5370 18 I 4.1911 8.4397 123.2462 62.6482 38.2846 174.8268 19 D 4.6701 8.2149 117.6333 52.7514 44.3629 175.6049 20 G 3.7207 8.7868 108.8078 47.8223 0.0000 174.0505 21 D 4.9345 8.0854 116.8372 52.9653 40.1078 175.1098 22 T 5.2251 7.7815 115.7025 62.5600 73.0053 173.3383 23 V 4.7622 8.7876 118.1412 59.5956 36.8411 173.9600 24 K 5.0452 9.3871 125.3009 55.1507 34.0035 175.2767 25 L 5.3515 9.4540 126.3995 53.2355 46.7291 175.2089 26 M 4.9259 9.2588 121.5818 54.6359 33.6441 174.1657 27 Y 4.9815 9.0974 128.6472 55.8495 41.8059 175.7352 28 K 3.7232 9.3224 127.4188 57.5453 29.5581 176.5375 29 G 3.9126 8.3067 104.3484 45.6263 0.0000 173.1515 30 Q 4.7963 7.8532 122.2269 53.3338 31.4063 172.8164 31 P 5.1637 0.0000 0.0000 63.1422 32.4606 175.3377 32 M 4.8151 9.4028 119.4533 54.5913 35.1407 173.4762 33 T 4.8610 8.3972 117.1701 62.8917 70.5844 173.5456 34 F 5.1022 9.4552 125.3215 55.6282 41.8884 174.2816 35 R 4.9646 9.0257 124.2579 54.4301 31.9709 175.1686 36 L 4.4247 8.6938 127.5861 54.5495 42.2913 177.2392 37 L 3.9103 8.6349 124.7700 55.6010 42.8438 177.8702 38 L 3.6547 8.8358 119.9138 55.4308 39.6170 174.1272 39 V 5.0244 7.3461 109.8888 59.6132 35.4833 175.1605 40 D 4.9245 9.2628 123.3706 52.9851 43.5096 175.0883 41 T 4.5172 8.3548 113.7856 59.0364 71.4958 173.0759 42 P 4.2862 0.0000 0.0000 62.8695 31.9748 175.6835 43 E 4.8010 8.9365 122.1568 55.3271 31.2652 176.9826 44 T 4.1684 8.2294 110.5127 62.8253 70.3345 176.0984 45 K 4.4891 7.4021 120.2805 55.4921 31.6733 176.3160 46 H 4.7201 8.3079 119.1619 54.2089 30.8059 173.0915 47 P 4.1465 0.0000 0.0000 65.4644 30.9203 176.1687 48 K 4.3802 7.4376 117.9829 55.0567 34.3676 177.2341 49 K 4.0565 9.6687 121.8001 56.8114 34.8014 177.2475 50 G 3.8118 8.3779 107.2228 44.6477 0.0000 174.7271 51 V 4.5508 8.7707 117.3594 61.7298 33.3062 174.5611 52 E 4.6835 8.6882 126.8961 54.0767 32.9262 175.2695 53 K 4.0352 8.2126 120.6355 58.0380 32.3447 177.5079 54 Y 4.4386 8.1129 121.1434 59.4463 35.7820 171.1716 55 G 3.9274 8.1429 107.9456 47.5313 0.0000 174.4339 56 P 4.3101 0.0000 0.0000 64.8724 31.4657 178.7316 57 E 4.0330 8.1784 116.9982 59.2929 29.5579 178.9808 58 A 4.0281 8.4027 121.2118 55.3117 18.3909 179.9090 59 S 4.1800 8.3522 113.5524 61.7286 62.8330 176.8416 60 A 4.0086 8.2498 123.5540 54.8433 18.0437 179.4990 61 F 3.9597 8.4247 119.2253 61.7792 39.5063 177.4634 62 T 3.8882 8.1524 115.2956 66.4685 68.2008 176.3662 63 K 3.8394 8.2064 121.5548 59.4658 32.3571 178.5667 64 K 3.8121 8.2537 120.0764 59.6493 31.8760 178.3006 65 M 3.8243 7.6107 117.0695 58.8620 31.9956 178.3641 66 V 3.7706 7.9077 112.5089 64.2335 31.5041 178.4768 67 E 4.0465 8.3084 117.9571 58.7055 29.4187 177.9989 68 N 4.6228 7.7569 113.3697 52.3626 39.4004 175.3077 69 A 4.3788 6.9916 123.7871 51.9072 19.2048 177.7128 70 K 4.2043 9.0582 122.8237 58.0758 32.9344 177.5602 71 K 4.7010 8.6371 117.6671 54.5640 36.4462 175.5365 72 I 4.9281 8.4204 124.7870 59.6219 40.0948 174.3995 73 E 5.1554 9.2609 125.2945 54.6820 33.8269 174.9829 74 V 4.5860 8.8061 116.4906 59.4804 34.9616 174.6906 75 E 4.9332 9.1291 124.9195 54.3739 32.0047 175.0119 76 F 4.5833 8.8197 125.7550 57.6195 40.0568 175.8941 77 D 4.9625 8.4400 121.2426 53.4559 43.1486 175.7107 78 K 4.3555 8.7540 116.4632 57.8457 33.9873 177.8603 79 G 4.1001 8.0764 113.0480 44.7867 0.0000 173.4758 80 Q 4.0601 8.5584 121.2322 56.6147 29.2469 176.8072 81 R 4.5354 8.4694 118.6102 56.6897 30.9801 176.0411 82 T 5.0690 7.4020 107.3349 59.8374 71.9271 173.4107 83 D 4.7654 8.6555 124.0864 51.7196 41.4634 177.0613 84 K 3.9188 8.4355 117.2661 59.3576 32.3851 176.9682 85 Y 4.3610 8.1377 115.7782 57.7158 38.2180 176.2733 86 G 3.9414 8.3070 108.6346 45.1375 0.0000 173.7904 87 R 4.3125 8.4152 120.0668 55.2456 31.5671 176.4727 88 G 3.4845 8.5812 111.7930 46.1448 0.0000 172.3499 89 L 5.3256 8.7040 124.2269 53.1970 43.3415 175.6104 90 A 4.2757 8.2694 124.3747 51.3694 23.7182 173.8619 91 Y 4.8153 8.6440 117.3354 56.9189 39.9247 175.3207 92 I 4.7759 8.6171 124.9102 59.7120 39.9277 174.1366 93 Y 5.1170 9.2901 124.1664 56.0391 41.1515 174.6127 94 A 4.8473 9.0349 125.7136 50.1420 21.4925 176.0745 95 D 4.4865 9.9245 124.4768 55.9962 39.0828 175.6262 96 G 4.0269 8.5861 106.9125 45.1508 0.0000 174.0196 97 K 4.5146 7.9440 119.9059 55.0719 33.7225 175.4254 98 M 4.0308 8.4508 122.9288 54.8232 33.2626 177.1564 99 V 3.6180 8.6238 127.1464 66.0782 31.6175 177.6081 100 N 4.3008 8.0474 115.7530 56.4627 38.4609 176.8112 101 E 3.8550 8.0366 119.6814 59.1009 29.9087 178.1630 102 A 4.0672 8.0328 120.8611 55.3824 18.3720 179.5780 103 L 3.5119 8.0410 117.1381 57.8196 41.6440 179.9819 104 V 3.7039 7.4246 118.0900 66.1156 31.2922 177.9163 105 R 3.8820 8.1806 117.4624 59.3898 29.9371 177.5348 106 Q 4.2591 7.7201 114.7938 55.0477 29.1107 175.9667 107 G 3.8413 8.1455 108.8580 46.8741 0.0000 174.8167 108 L 4.3559 7.6278 116.7451 53.8350 42.3440 176.2298 109 A 4.6177 7.3783 118.7492 50.8673 22.1253 175.7448 110 K 4.8296 8.5621 120.7535 54.3168 35.4229 175.5561 111 V 4.3000 8.6227 126.4193 62.6594 31.7148 175.9101 112 A 4.6405 8.7839 130.5235 51.3205 19.2893 176.3314 113 Y 4.1258 8.6296 121.2000 57.3536 39.5753 175.6026 114 V 4.7593 7.7989 125.3290 60.6120 34.4867 174.1630 115 Y 4.8286 8.2906 115.9653 57.1273 41.3037 174.8282 116 D 4.0281 7.4260 119.7870 51.5795 40.2001 174.4614 117 P 4.3214 0.0000 0.0000 64.8832 31.3343 177.0939 118 N 4.8292 7.9293 118.8677 52.1334 36.9723 174.3524 119 N 5.1325 7.8527 113.9935 52.7190 39.1940 177.3379 120 T 3.8256 8.4661 118.1042 67.3670 68.7216 174.8260 121 H 4.8801 8.1272 115.9922 55.6604 29.1619 176.3448 122 E 3.9689 8.3094 123.5321 59.4708 29.3370 178.7419 123 Q 3.9262 8.0340 119.0215 59.3821 29.1378 177.3847 124 H 4.1896 8.2268 118.7077 59.4839 29.8666 177.0394 125 L 3.9139 8.0616 120.6942 57.5902 41.4046 179.3577 126 R 3.8646 8.2970 119.0210 59.4539 30.0152 178.7121 127 K 3.9477 8.0713 118.0933 59.7049 32.0278 179.5973 128 S 4.1409 7.8687 115.1295 61.4402 62.6991 176.3761 129 E 3.9791 8.5230 122.1647 59.0001 29.3791 178.6942 130 A 3.7481 8.0315 120.9066 55.1148 18.4919 179.2870 131 Q 3.8333 8.0362 117.7887 59.3721 29.1371 178.4276 132 A 4.0664 8.1648 122.0383 55.0266 18.4945 179.6599 133 K 3.7306 7.8215 117.1182 59.4031 32.3951 179.4393 134 K 3.9201 7.6938 120.4823 58.9494 32.2075 177.7074 135 E 4.2776 8.1056 115.9318 55.1450 30.2104 176.1381 136 K 4.6546 7.6098 116.9965 56.1920 30.5595 175.4893 137 L 4.2014 8.2506 117.9924 55.9016 43.9389 179.3097 138 N 3.4162 9.2505 117.6371 54.1065 39.0967 175.3237 139 I 3.3790 5.4200 127.3270 64.8372 38.2035 177.5225 140 W 5.1107 8.0149 119.5065 57.2332 28.9086 176.0185 141 S 4.4462 7.8198 118.3715 57.9227 62.4180 175.1809 *142 E 4.1515 8.6374 120.7860 56.0579 30.1640 172.3051 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 6 K 8.31 4.31 0.00 1.77 1.85 0.00 1.61 0.00 0.00 1.72 0.00 0.00 3.04 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.36 1.55 7.81 7 L 8.19 4.44 0.00 1.87 1.69 1.02 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 8 H 8.98 5.06 0.00 3.10 3.25 0.00 5.71 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 K 8.66 4.60 0.00 1.58 1.68 0.00 1.38 0.00 0.00 1.16 0.00 0.00 2.13 0.00 0.00 2.56 0.00 0.00 0.00 0.00 1.10 1.28 7.81 10 E 9.02 5.02 0.00 2.11 2.05 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 2.44 2.39 0.00 11 P 0.00 5.00 0.00 2.11 2.08 0.00 3.85 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 2.04 2.01 0.00 12 A 8.46 4.95 1.26 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 0.00 0.00 13 T 8.72 4.61 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 1.23 0.00 0.00 14 L 8.75 4.18 0.00 1.63 1.58 0.92 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 15 I 8.38 4.37 2.07 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 1.15 1.01 0.94 0.00 0.00 16 K 7.56 4.46 0.00 1.80 1.61 0.00 1.72 0.00 0.00 1.83 0.00 0.00 2.85 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.40 1.42 7.81 17 A 8.75 4.51 1.25 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 0.00 0.00 0.00 18 I 8.44 4.19 2.03 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 1.31 0.84 0.91 0.00 0.00 19 D 8.21 4.67 0.00 2.61 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 20 G 8.79 3.72 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 0.00 0.00 0.00 21 D 8.09 4.93 0.00 2.81 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 22 T 7.78 5.23 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 1.28 0.00 0.00 23 V 8.79 4.76 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 0.68 0.00 0.00 0.94 0.00 0.00 24 K 9.39 5.05 0.00 1.83 1.77 0.00 1.60 0.00 0.00 1.68 0.00 0.00 2.88 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.43 1.55 7.81 25 L 9.45 5.35 0.00 1.74 1.55 0.38 0.64 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 26 M 9.26 4.93 0.00 2.15 2.01 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.55 0.00 27 Y 9.10 4.98 0.00 3.29 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 28 K 9.32 3.72 0.00 1.56 1.63 0.00 1.55 0.00 0.00 1.41 0.00 0.00 2.80 0.00 0.00 2.86 0.00 0.00 0.00 0.00 0.89 0.21 7.81 29 G 8.31 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 30 Q 7.85 4.80 0.00 2.20 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.96 0.00 0.00 0.00 0.00 0.00 2.31 2.39 0.00 31 P 0.00 5.16 0.00 2.16 2.08 0.00 3.89 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 2.02 1.99 0.00 32 M 9.40 4.82 0.00 2.06 2.04 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.77 0.00 33 T 8.40 4.86 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 1.22 0.00 0.00 34 F 9.46 5.10 0.00 3.03 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 35 R 9.03 4.96 0.00 1.89 1.79 0.00 3.35 0.00 0.00 3.17 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.64 0.00 36 L 8.69 4.42 0.00 1.56 1.60 0.99 1.23 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 37 L 8.63 3.91 0.00 1.12 1.26 0.21 0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 38 L 8.84 3.65 0.00 1.99 1.83 1.14 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 39 V 7.35 5.02 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 0.81 0.00 0.00 0.94 0.00 0.00 40 D 9.26 4.92 0.00 2.54 2.56 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 41 T 8.35 4.52 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 42 P 0.00 4.29 0.00 2.20 2.10 0.00 3.55 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.06 0.00 43 E 8.94 4.80 0.00 2.17 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 2.26 2.40 0.00 44 T 8.23 4.17 4.24 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 1.19 0.00 0.00 45 K 7.40 4.49 0.00 1.94 1.81 0.00 1.69 0.00 0.00 1.62 0.00 0.00 2.97 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.38 1.34 7.81 46 H 8.31 4.72 0.00 3.24 3.36 0.00 5.69 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 P 0.00 4.15 0.00 2.11 2.12 0.00 3.68 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.88 0.00 48 K 7.44 4.38 0.00 1.85 1.79 0.00 1.52 0.00 0.00 1.66 0.00 0.00 3.06 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.28 1.34 7.81 49 K 9.67 4.06 0.00 2.06 2.06 0.00 1.58 0.00 0.00 1.73 0.00 0.00 3.02 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.36 1.53 7.81 50 G 8.38 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 51 V 8.77 4.55 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 0.80 0.00 0.00 0.97 0.00 0.00 52 E 8.69 4.68 0.00 1.91 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 2.17 2.21 0.00 53 K 8.21 4.04 0.00 1.52 1.32 0.00 1.63 0.00 0.00 1.55 0.00 0.00 2.20 0.00 0.00 2.64 0.00 0.00 0.00 0.00 1.24 1.35 7.81 54 Y 8.11 4.44 0.00 3.12 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 55 G 8.14 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 56 P 0.00 4.31 0.00 2.17 2.11 0.00 3.58 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 2.08 2.16 0.00 57 E 8.18 4.03 0.00 2.35 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.51 0.00 58 A 8.40 4.03 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 59 S 8.35 4.18 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 60 A 8.25 4.01 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 F 8.42 3.96 0.00 3.30 3.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 T 8.15 3.89 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 1.28 0.00 0.00 63 K 8.21 3.84 0.00 1.92 2.00 0.00 1.64 0.00 0.00 1.57 0.00 0.00 3.07 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.54 1.52 7.81 64 K 8.25 3.81 0.00 1.82 1.83 0.00 1.58 0.00 0.00 1.45 0.00 0.00 2.60 0.00 0.00 2.64 0.00 0.00 0.00 0.00 1.32 1.38 7.81 65 M 7.61 3.82 0.00 1.98 1.71 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.49 0.00 66 V 7.91 3.77 2.05 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 0.81 0.00 0.00 1.01 0.00 0.00 67 E 8.31 4.05 0.00 1.96 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.51 0.00 68 N 7.76 4.62 0.00 2.74 2.81 0.00 0.00 6.99 6.73 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 69 A 6.99 4.38 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 70 K 9.06 4.20 0.00 1.74 2.21 0.00 1.74 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.42 1.40 7.81 71 K 8.64 4.70 0.00 1.69 1.63 0.00 1.67 0.00 0.00 1.65 0.00 0.00 2.80 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.34 1.39 7.81 72 I 8.42 4.93 2.05 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 1.33 1.45 0.84 0.00 0.00 73 E 9.26 5.16 0.00 1.91 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 0.00 2.21 2.26 0.00 74 V 8.81 4.59 1.25 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 -0.10 0.00 0.00 0.52 0.00 0.00 75 E 9.13 4.93 0.00 2.21 2.30 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 2.46 2.52 0.00 76 F 8.82 4.58 0.00 3.01 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 77 D 8.44 4.96 0.00 2.63 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 78 K 8.75 4.36 0.00 1.88 1.95 0.00 1.66 0.00 0.00 1.73 0.00 0.00 3.06 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.48 1.43 7.81 79 G 8.08 4.10 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 0.00 0.00 0.00 80 Q 8.56 4.06 0.00 2.15 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.93 6.84 0.00 0.00 0.00 0.00 0.00 2.31 2.31 0.00 81 R 8.47 4.54 0.00 1.68 1.63 0.00 2.84 0.00 0.00 2.72 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.67 0.00 82 T 7.40 5.07 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 1.16 0.00 0.00 83 D 8.66 4.77 0.00 2.96 2.90 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 84 K 8.44 3.92 0.00 1.61 1.83 0.00 1.33 0.00 0.00 1.59 0.00 0.00 2.97 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.15 0.51 7.81 85 Y 8.14 4.36 0.00 3.14 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 G 8.31 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 87 R 8.42 4.31 0.00 2.10 1.82 0.00 3.12 0.00 0.00 3.14 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.64 0.00 88 G 8.58 3.48 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 0.00 89 L 8.70 5.33 0.00 1.54 1.58 0.97 0.59 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 90 A 8.27 4.28 0.75 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 0.00 0.00 91 Y 8.64 4.82 0.00 2.98 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 92 I 8.62 4.78 1.75 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.44 0.79 0.00 0.00 93 Y 9.29 5.12 0.00 2.85 2.82 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 94 A 9.03 4.85 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 95 D 9.92 4.49 0.00 2.80 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 96 G 8.59 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 97 K 7.94 4.51 0.00 1.91 1.76 0.00 1.76 0.00 0.00 1.58 0.00 0.00 2.99 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.42 1.44 7.81 98 M 8.45 4.03 0.00 1.88 1.55 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 2.36 0.00 99 V 8.62 3.62 2.02 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 1.01 0.00 0.00 0.92 0.00 0.00 100 N 8.05 4.30 0.00 2.87 2.92 0.00 0.00 6.76 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 0.00 101 E 8.04 3.86 0.00 1.89 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 2.20 2.09 0.00 102 A 8.03 4.07 1.64 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 0.00 0.00 103 L 8.04 3.51 0.00 1.85 1.63 1.00 0.61 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 0.00 104 V 7.42 3.70 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.97 0.00 0.00 105 R 8.18 3.88 0.00 2.03 2.10 0.00 3.35 0.00 0.00 3.22 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.73 0.00 106 Q 7.72 4.26 0.00 1.72 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.47 0.00 0.00 0.00 0.00 0.00 2.37 1.90 0.00 107 G 8.15 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 0.00 108 L 7.63 4.36 0.00 1.31 1.47 0.40 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 109 A 7.38 4.62 1.13 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 0.00 0.00 0.00 110 K 8.56 4.83 0.00 1.79 1.70 0.00 1.66 0.00 0.00 1.70 0.00 0.00 3.13 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.83 1.46 7.81 111 V 8.62 4.30 2.15 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 0.85 0.00 0.00 0.98 0.00 0.00 112 A 8.78 4.64 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 0.00 113 Y 8.63 4.13 0.00 2.95 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 0.00 114 V 7.80 4.76 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 0.80 0.00 0.00 1.04 0.00 0.00 115 Y 8.29 4.83 0.00 3.08 3.07 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 0.00 116 D 7.43 4.03 0.00 2.54 2.26 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 0.00 117 P 0.00 4.32 0.00 2.17 2.18 0.00 3.58 0.00 0.00 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 1.94 0.00 118 N 7.93 4.83 0.00 2.85 2.78 0.00 0.00 6.70 8.14 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 0.00 119 N 7.85 5.13 0.00 2.90 2.94 0.00 0.00 6.10 7.22 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 0.00 120 T 8.47 3.83 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 1.08 0.00 0.00 121 H 8.13 4.88 0.00 2.98 3.12 0.00 5.62 0.00 0.00 0.00 0.00 6.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 E 8.31 3.97 0.00 2.10 1.97 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 2.31 2.34 0.00 123 Q 8.03 3.93 0.00 2.21 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.66 0.00 0.00 0.00 0.00 0.00 2.43 2.48 0.00 124 H 8.23 4.19 0.00 3.25 3.44 0.00 5.92 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 0.00 125 L 8.06 3.91 0.00 1.90 1.71 1.02 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 126 R 8.30 3.86 0.00 2.19 1.92 0.00 3.28 0.00 0.00 3.15 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.71 0.00 127 K 8.07 3.95 0.00 2.02 1.84 0.00 1.74 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.45 1.64 7.81 128 S 7.87 4.14 0.00 3.90 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 0.00 129 E 8.52 3.98 0.00 2.15 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 0.00 2.21 2.64 0.00 130 A 8.03 3.75 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 0.00 131 Q 8.04 3.83 0.00 2.16 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.74 0.00 0.00 0.00 0.00 0.00 2.35 2.51 0.00 132 A 8.16 4.07 1.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 133 K 7.82 3.73 0.00 1.39 0.74 0.00 0.61 0.00 0.00 0.61 0.00 0.00 2.48 0.00 0.00 2.60 0.00 0.00 0.00 0.00 1.12 1.00 7.81 134 K 7.69 3.92 0.00 1.85 1.96 0.00 1.75 0.00 0.00 1.65 0.00 0.00 2.99 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.41 1.42 7.81 135 E 8.11 4.28 0.00 2.00 1.97 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 2.31 2.58 0.00 136 K 7.61 4.65 0.00 1.94 1.91 0.00 1.71 0.00 0.00 1.85 0.00 0.00 3.01 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.53 1.52 7.81 137 L 8.25 4.20 0.00 1.79 1.67 0.96 0.57 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 0.00 138 N 9.25 3.42 0.00 2.42 1.42 0.00 0.00 7.03 7.45 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 0.00 139 I 5.42 3.38 0.94 0.00 0.00 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.43 -0.27 0.00 0.00 140 W 8.01 5.11 0.00 3.38 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 0.00 141 S 7.82 4.45 0.00 3.99 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 *142 E 8.64 4.15 0.00 1.73 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 2.13 2.37 0.00 * Residues marked with a * may have inaccurate shift predictions.