NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 E 4.2906 8.4444 121.7346 55.5321 31.9833 174.7173 3 L 3.7899 8.1644 120.5411 55.2480 42.6651 174.9460 4 T 4.2069 9.4308 124.9621 63.8542 69.5033 173.7449 5 V 4.4838 8.3180 117.6017 60.0226 36.9887 173.6346 6 E 5.0671 9.3410 119.5786 54.9550 33.4458 175.4622 7 V 5.0974 8.6728 122.9819 60.9328 34.6289 174.4822 8 R 3.4064 8.5537 129.2673 55.9933 29.9243 176.0372 9 G 4.0512 9.0710 114.5190 44.7458 0.0000 175.0576 10 S 4.1335 8.7345 116.9031 60.8646 62.8057 175.1628 11 N 4.5192 8.0435 117.3289 53.3705 38.5296 176.7287 12 G 3.7649 9.1930 107.7842 45.4179 0.0000 173.7552 13 A 4.1394 6.7452 121.1757 50.8045 21.1248 175.9270 14 F 5.2320 7.8570 115.6530 56.2629 43.1412 174.1907 15 Y 4.9931 9.3092 121.2776 55.6278 41.3294 175.4270 16 K 4.3210 9.3066 125.5602 57.1250 34.0072 175.3619 17 G 3.8353 7.0855 108.7913 46.6240 0.0000 171.5459 18 F 5.0498 7.9718 116.7649 55.8488 43.9203 174.4648 19 I 4.2214 8.5439 124.0338 60.9565 36.6885 175.7678 20 K 4.2190 9.1644 129.9663 58.1202 33.2407 176.1472 21 D 4.6089 7.6436 116.8522 53.1018 44.5454 174.0790 22 V 4.6721 8.3174 124.1899 61.6077 33.8810 174.1492 23 H 4.9348 8.7178 123.4506 53.7431 32.3088 172.7084 24 E 3.9385 8.7165 120.3598 59.2966 28.2369 177.0908 25 D 4.8571 7.8781 116.2443 53.4162 41.2942 175.0842 26 S 5.0944 7.7177 113.7241 57.4293 66.4062 173.1795 27 L 5.0607 10.1771 122.1318 53.7948 44.5407 175.5883 28 T 4.9202 9.0182 117.7573 62.0690 71.3542 173.6361 29 V 5.2620 8.1472 119.6136 58.5315 35.5706 175.0647 30 V 4.3989 7.9504 123.0944 61.4412 34.2211 174.7305 31 F 5.2211 8.5782 124.1549 55.5152 42.3966 174.3620 32 E 4.3675 8.9382 119.6512 56.6781 29.5791 176.3169 33 N 4.4759 9.4870 122.6837 54.0374 36.4383 174.4138 34 N 5.1342 8.0454 113.9477 54.1550 40.5075 177.4789 35 W 4.6192 8.9039 118.1740 59.7515 29.2401 178.4527 36 Q 4.1186 8.0769 115.2201 58.1886 28.2334 175.8827 37 P 4.7299 0.0000 0.0000 60.2669 30.1652 172.5742 38 E 4.5524 8.8717 121.1329 56.2507 29.8177 178.7016 39 R 4.4065 9.1194 122.9024 55.8638 32.3298 174.5665 40 Q 4.7794 8.5315 121.1040 54.5776 30.5439 174.6580 41 V 4.6839 10.8185 125.9406 60.3507 34.9120 172.8524 42 P 4.8520 0.0000 0.0000 62.9185 32.8989 177.0333 43 F 3.7277 8.9877 113.1218 59.8331 39.0558 177.1904 44 N 4.6334 6.5342 121.2795 52.7013 38.0103 175.8419 45 E 4.1060 7.8582 118.6197 57.4929 30.0819 176.1971 46 V 4.9991 7.4757 119.8245 61.8376 34.3569 174.3563 47 R 4.8903 8.4555 119.7450 55.2069 33.1102 173.8294 48 L 4.5744 8.2490 119.6364 53.2080 42.5352 175.5497 49 P 4.2459 0.0000 0.0000 62.0222 31.8208 174.0563 50 P 4.4124 0.0000 0.0000 61.3772 32.2762 175.0400 51 P 4.4984 0.0000 0.0000 61.7384 32.9864 172.7627 52 P 4.5762 0.0000 0.0000 60.9173 32.8624 174.2477 *57 E 4.1146 8.4499 123.2664 56.1812 30.4871 174.7706 58 I 4.4603 7.9454 121.0403 59.9790 40.1386 174.7763 59 S 4.6133 8.2211 118.7880 56.6178 65.8400 173.4101 60 E 4.1097 8.5991 119.1902 56.8411 29.8574 178.1102 61 G 3.9677 8.8808 106.4154 46.1221 0.0000 173.8908 62 D 4.6701 7.7028 119.8162 53.9778 42.4911 174.7304 63 E 4.8964 8.5351 121.3121 55.3755 30.9338 175.3292 64 V 4.6085 8.8016 119.0046 59.9410 36.9123 173.8235 65 E 5.0204 8.9404 121.0353 55.1637 31.6095 175.9855 66 V 4.9296 10.3605 121.1541 60.3671 35.7486 173.9376 67 Y 4.3934 8.3488 122.8067 56.3307 39.5249 173.9910 68 S 4.6057 9.2395 121.9384 57.5730 66.5200 171.8335 69 R 5.1019 8.1229 115.4425 55.4963 32.1739 174.9537 70 A 3.9434 8.3707 120.8343 54.1034 19.3685 177.9157 *74 E 4.0428 7.8077 113.0709 55.1999 30.5631 174.0804 75 P 4.5141 0.0000 0.0000 63.1292 32.1007 174.7509 76 C 4.7159 8.3078 115.5887 59.0539 29.8225 173.9632 77 G 3.2003 8.3892 107.9321 45.2636 0.0000 170.6758 78 W 5.2412 8.1984 120.0523 55.0836 30.6523 175.9297 79 W 5.0028 10.4803 124.7001 54.4044 32.2077 174.9810 80 L 4.5149 8.6396 125.4059 55.4857 43.1398 175.4256 81 A 4.7820 9.5707 127.1301 50.9815 23.7387 174.4410 82 K 4.8815 8.7414 119.2258 54.6688 35.8758 175.5952 83 V 4.0916 8.8772 127.8337 63.1477 31.6501 176.1811 84 R 4.4795 8.5594 127.0752 56.6455 30.8441 176.1967 85 M 4.5922 7.5601 117.1518 55.2027 35.4710 172.9508 86 M 5.2260 8.3461 119.3342 53.9737 35.1000 174.4688 87 K 4.1600 9.4376 118.6378 56.7052 36.8016 174.9178 88 G 3.8189 8.6165 115.9645 46.6206 0.0000 174.8270 89 E 3.9957 9.1389 121.8634 58.5048 29.5336 176.8219 90 F 5.4209 8.4611 116.7592 56.2978 41.6866 174.8707 91 Y 5.0965 9.3413 119.2163 56.2913 41.6368 174.6703 92 V 4.8460 8.6226 124.2498 61.8194 33.0411 174.8141 93 I 5.7702 8.9078 120.4942 58.2613 41.9821 173.6929 94 E 4.8366 8.4680 121.7669 56.8939 32.9653 172.1611 95 Y 4.4658 9.6717 124.6476 58.8070 38.2118 176.7710 *100 A 4.2408 9.0426 127.4171 54.9250 20.6951 178.7044 101 T 4.5179 8.9149 113.9079 64.0058 65.4333 169.9478 102 Y 4.5329 7.7875 122.1642 57.9376 41.2783 175.1627 103 N 5.6039 8.1134 115.3082 51.6587 43.0716 173.7878 104 E 4.8355 8.3335 118.1982 56.0255 33.1245 174.6509 105 I 4.9662 8.5969 125.7118 60.3019 38.7786 175.2042 106 V 4.8544 8.6855 121.1284 59.6617 35.8374 174.1394 107 T 5.0091 8.0680 109.8109 59.8832 72.0316 174.9135 108 F 3.4832 9.1250 123.8951 61.3413 39.2459 176.5433 109 E 4.2886 7.7475 116.0492 58.7860 29.6939 177.3992 110 R 4.5631 8.5276 119.1918 56.0282 30.0856 175.3272 111 L 5.1180 7.4399 116.5110 53.5668 45.8805 175.4877 112 R 4.3620 8.3984 115.2844 54.6238 32.9399 172.0891 113 P 4.3676 0.0000 0.0000 62.7961 31.9879 176.3750 114 V 3.3257 8.4846 122.5990 63.3621 31.5965 175.1697 115 N 4.2685 8.7317 126.0139 54.0288 37.6290 173.8339 116 Q 4.4268 8.0917 124.9302 55.8572 29.3265 175.6546 117 N 4.6502 8.6097 117.3584 54.3158 39.4408 174.2312 118 K 4.7472 8.1348 117.7121 55.1425 35.6754 176.3959 119 T 4.8728 8.3704 112.3354 61.1624 70.4990 174.4368 120 V 3.7930 8.1602 120.2805 63.2576 31.6456 175.5665 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 E 8.44 4.29 0.00 1.96 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 2.08 2.09 0.00 3 L 8.16 3.79 0.00 1.89 1.57 0.92 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 4 T 9.43 4.21 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 0.85 0.00 0.00 5 V 8.32 4.48 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 0.87 0.00 0.00 0.77 0.00 0.00 6 E 9.34 5.07 0.00 1.69 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.11 0.00 7 V 8.67 5.10 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 1.10 0.00 0.00 0.94 0.00 0.00 8 R 8.55 3.41 0.00 0.67 1.43 0.00 3.13 0.00 0.00 3.07 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 1.11 0.00 9 G 9.07 4.05 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 0.00 0.00 0.00 10 S 8.73 4.13 0.00 3.94 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.04 4.52 0.00 2.81 2.75 0.00 0.00 7.13 7.85 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 12 G 9.19 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 0.00 0.00 0.00 13 A 6.75 4.14 -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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 F 7.86 5.23 0.00 2.93 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 15 Y 9.31 4.99 0.00 3.03 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 16 K 9.31 4.32 0.00 2.08 1.92 0.00 2.01 0.00 0.00 2.11 0.00 0.00 3.00 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.30 1.44 7.81 17 G 7.09 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 18 F 7.97 5.05 0.00 2.76 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 19 I 8.54 4.22 1.84 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 1.06 0.41 0.88 0.00 0.00 20 K 9.16 4.22 0.00 1.62 1.82 0.00 1.81 0.00 0.00 1.61 0.00 0.00 2.95 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.34 1.26 7.81 21 D 7.64 4.61 0.00 2.70 2.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 V 8.32 4.67 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 0.85 0.00 0.00 0.90 0.00 0.00 23 H 8.72 4.93 0.00 3.36 3.17 0.00 5.72 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 E 8.72 3.94 0.00 1.90 1.93 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 2.27 2.33 0.00 25 D 7.88 4.86 0.00 2.79 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 26 S 7.72 5.09 0.00 3.97 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 27 L 10.18 5.06 0.00 1.82 1.59 0.94 0.60 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 28 T 9.02 4.92 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 1.20 0.00 0.00 29 V 8.15 5.26 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 0.57 0.00 0.00 0.63 0.00 0.00 30 V 7.95 4.40 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 0.45 0.00 0.00 0.68 0.00 0.00 31 F 8.58 5.22 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 E 8.94 4.37 0.00 2.47 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 0.00 2.57 2.66 0.00 33 N 9.49 4.48 0.00 3.03 2.99 0.00 0.00 6.84 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 34 N 8.05 5.13 0.00 2.62 2.63 0.00 0.00 7.24 7.62 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 35 W 8.90 4.62 0.00 3.45 3.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 Q 8.08 4.12 0.00 2.20 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 7.13 0.00 0.00 0.00 0.00 0.00 2.49 2.44 0.00 37 P 0.00 4.73 0.00 2.22 2.12 0.00 4.20 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 2.22 1.96 0.00 38 E 8.87 4.55 0.00 2.13 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 0.00 2.38 2.37 0.00 39 R 9.12 4.41 0.00 1.88 1.99 0.00 3.25 0.00 0.00 3.34 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 1.72 0.00 40 Q 8.53 4.78 0.00 2.05 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.97 6.78 0.00 0.00 0.00 0.00 0.00 2.26 2.34 0.00 41 V 10.82 4.68 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 0.97 0.00 0.00 0.98 0.00 0.00 42 P 0.00 4.85 0.00 2.26 2.32 0.00 3.81 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.02 0.00 43 F 8.99 3.73 0.00 3.41 2.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 N 6.53 4.63 0.00 2.50 2.25 0.00 0.00 6.45 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 45 E 7.86 4.11 0.00 1.97 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 2.22 2.13 0.00 46 V 7.48 5.00 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 0.95 0.00 0.00 47 R 8.46 4.89 0.00 1.83 1.87 0.00 2.40 0.00 0.00 2.34 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 1.32 0.00 48 L 8.25 4.57 0.00 1.47 1.55 0.88 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 49 P 0.00 4.25 0.00 2.08 1.97 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 1.92 1.88 0.00 50 P 0.00 4.41 0.00 2.05 1.90 0.00 3.53 0.00 0.00 3.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.64 0.00 51 P 0.00 4.50 0.00 2.16 2.10 0.00 3.63 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.93 0.00 52 P 0.00 4.58 0.00 2.01 1.97 0.00 3.68 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 2.00 0.00 *57 E 8.45 4.11 0.00 1.96 1.91 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 2.20 2.36 0.00 58 I 7.95 4.46 1.68 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 1.39 0.79 0.71 0.00 0.00 59 S 8.22 4.61 0.00 3.93 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 60 E 8.60 4.11 0.00 2.19 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 2.37 2.32 0.00 61 G 8.88 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 62 D 7.70 4.67 0.00 3.01 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 63 E 8.54 4.90 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 2.22 2.65 0.00 64 V 8.80 4.61 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 0.70 0.00 0.00 0.91 0.00 0.00 65 E 8.94 5.02 0.00 2.00 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 0.00 2.21 2.10 0.00 66 V 10.36 4.93 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 0.65 0.00 0.00 1.07 0.00 0.00 67 Y 8.35 4.39 0.00 1.51 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 68 S 9.24 4.61 0.00 3.91 3.46 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.12 5.10 0.00 1.88 2.03 0.00 3.07 0.00 0.00 3.20 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.60 0.00 70 A 8.37 3.94 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 *74 E 7.81 4.04 0.00 2.02 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 2.19 2.32 0.00 75 P 0.00 4.51 0.00 2.29 2.11 0.00 3.65 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.77 0.00 76 C 8.31 4.72 0.00 2.70 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 0.00 0.00 0.00 0.00 77 G 8.39 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 0.00 0.00 0.00 78 W 8.20 5.24 0.00 3.39 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 79 W 10.48 5.00 0.00 3.05 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 80 L 8.64 4.51 0.00 1.76 1.58 0.99 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 81 A 9.57 4.78 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 K 8.74 4.88 0.00 1.84 1.64 0.00 1.66 0.00 0.00 1.60 0.00 0.00 2.80 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.34 1.47 7.81 83 V 8.88 4.09 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 0.99 0.00 0.00 84 R 8.56 4.48 0.00 1.80 1.98 0.00 3.34 0.00 0.00 3.24 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.60 0.00 85 M 7.56 4.59 0.00 2.06 1.85 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 2.47 2.44 0.00 86 M 8.35 5.23 0.00 1.71 1.13 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.43 0.00 87 K 9.44 4.16 0.00 1.70 1.66 0.00 1.77 0.00 0.00 1.64 0.00 0.00 2.90 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.30 1.33 7.81 88 G 8.62 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 E 9.14 4.00 0.00 1.16 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 1.96 0.00 90 F 8.46 5.42 0.00 2.95 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 91 Y 9.34 5.10 0.00 2.83 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 92 V 8.62 4.85 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 1.02 0.00 0.00 0.97 0.00 0.00 93 I 8.91 5.77 2.01 0.00 0.00 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 1.24 0.60 1.01 0.00 0.00 94 E 8.47 4.84 0.00 2.09 1.85 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 2.37 2.63 0.00 95 Y 9.67 4.47 0.00 2.95 2.76 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 *100 A 9.04 4.24 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 0.00 101 T 8.91 4.52 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 1.32 0.00 0.00 102 Y 7.79 4.53 0.00 2.57 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 0.00 103 N 8.11 5.60 0.00 2.52 2.67 0.00 0.00 7.08 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 0.00 104 E 8.33 4.84 0.00 1.99 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 2.24 2.25 0.00 105 I 8.60 4.97 1.96 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 1.39 0.79 1.14 0.00 0.00 106 V 8.69 4.85 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 0.84 0.00 0.00 0.90 0.00 0.00 107 T 8.07 5.01 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 1.21 0.00 0.00 108 F 9.13 3.48 0.00 3.10 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 E 7.75 4.29 0.00 2.29 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 0.00 2.36 2.32 0.00 110 R 8.53 4.56 0.00 2.05 2.03 0.00 3.17 0.00 0.00 3.25 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.66 0.00 111 L 7.44 5.12 0.00 1.66 1.25 0.32 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 112 R 8.40 4.36 0.00 1.60 1.81 0.00 2.21 0.00 0.00 2.25 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 1.08 0.00 113 P 0.00 4.37 0.00 1.86 1.99 0.00 3.60 0.00 0.00 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.04 0.00 114 V 8.48 3.33 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 0.68 0.00 0.00 0.87 0.00 0.00 115 N 8.73 4.27 0.00 2.38 2.58 0.00 0.00 7.19 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 Q 8.09 4.43 0.00 2.11 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.83 6.74 0.00 0.00 0.00 0.00 0.00 2.20 2.54 0.00 117 N 8.61 4.65 0.00 2.64 2.72 0.00 0.00 6.59 7.99 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 0.00 118 K 8.13 4.75 0.00 1.67 1.68 0.00 1.57 0.00 0.00 1.71 0.00 0.00 2.91 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.25 1.33 7.81 119 T 8.37 4.87 4.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 120 V 8.16 3.79 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.00 0.00 0.95 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.