NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 27 C 4.2342 8.4445 120.8162 59.1745 32.7539 174.3966 28 Q 4.3811 8.2897 128.5657 54.5304 29.8696 170.1902 29 E 4.2736 9.1212 129.0202 60.6022 30.1626 176.5496 30 A 4.2038 7.9623 120.7981 55.2862 18.6226 179.3673 31 N 4.3042 8.1278 114.5001 56.5201 38.3642 176.8559 32 Y 4.2170 8.2445 121.0659 60.5537 38.4687 178.2435 33 G 3.5810 8.2488 106.3589 47.7568 0.0000 175.3161 34 A 3.9138 7.8466 125.7278 55.4380 18.5051 180.4574 35 L 4.1798 7.8621 120.2860 59.0723 40.7531 181.4914 36 L 3.8131 7.3471 119.8969 58.9302 41.8248 180.3061 37 R 4.1192 7.3711 120.1448 61.1763 29.0071 180.5415 38 E 4.1396 7.5964 116.0505 59.1405 29.7601 178.4346 39 L 4.3197 7.5225 116.9866 56.9796 42.3134 178.1630 40 C 4.4183 8.0895 116.2240 59.6248 38.3135 175.7318 41 L 4.0498 7.9377 121.3059 58.5378 41.5380 178.6177 42 T 3.8806 7.2948 114.0606 67.1075 68.4772 176.1782 43 Q 4.0360 8.1884 122.9472 59.6558 29.0858 178.7340 *44 F 3.9663 7.7470 120.4145 61.9113 38.2096 179.6854 45 Q 4.3767 8.3636 120.8582 58.1374 28.3554 179.5868 46 V 3.6816 7.7296 121.5396 66.7845 31.6098 178.3874 47 D 4.4265 8.0584 120.8840 58.8725 39.4986 180.2254 48 M 4.4175 8.5016 120.1501 57.6771 31.7316 178.1994 49 E 4.4605 8.1900 116.8079 58.0638 29.8793 178.0548 50 A 4.4180 7.6854 122.9203 55.0685 19.1323 180.2327 51 V 3.8673 7.6155 117.2710 63.5291 32.2193 179.5043 52 G 4.0898 8.3021 109.2732 45.8354 0.0000 173.6396 53 E 2.0000 8.5117 126.5878 59.8048 29.3759 180.4675 54 T 3.8673 7.6951 110.3631 63.2314 68.7387 176.9305 55 L 4.8435 7.9502 118.8761 54.3559 42.0612 183.8665 56 W 4.6507 8.0745 119.8934 60.8637 29.0185 176.7576 57 C 4.4289 8.2139 113.7551 58.1792 38.1694 173.7117 58 D 4.6398 8.2353 122.4413 53.8346 40.7668 176.9375 *59 W 4.1290 8.5876 132.6091 61.2139 28.1752 175.5574 60 G 3.9322 8.0216 106.4416 47.9588 0.0000 175.9639 61 R 4.4248 8.0128 123.6773 61.0342 30.4492 183.2634 62 T 4.5469 8.0815 115.8179 64.9518 68.7216 180.3609 63 I 4.0244 7.8556 123.4814 66.8182 35.3051 184.0498 64 R 4.2598 8.2058 124.4023 62.1021 29.1870 181.5294 65 S 4.3898 8.0015 118.8092 63.1249 62.4133 177.8025 66 Y 4.2659 8.3642 125.6960 61.3338 38.6015 178.7910 67 R 3.9851 8.7492 121.9159 61.6124 29.4345 180.4366 68 E 4.2053 8.0473 119.0713 58.9002 29.4347 179.1685 69 L 3.9198 7.9175 120.2779 58.1936 42.2296 178.9516 70 A 4.5441 8.3540 123.3179 56.0340 18.2636 179.9920 71 D 4.1557 8.1469 119.4886 58.0617 39.6884 180.3594 72 C 4.5022 8.0911 118.1099 60.5147 38.3725 175.5927 73 T 3.8308 8.0105 117.3909 66.3961 68.0256 176.3249 74 W 3.4608 8.1971 130.1209 60.7010 30.6556 177.7454 75 H 4.3425 8.1172 115.7593 59.2138 28.1587 177.6534 76 M 4.1228 8.4811 120.3781 58.4800 31.7841 178.7089 77 A 3.7594 8.1789 120.4754 55.0314 18.5590 179.5122 78 E 3.7808 8.0439 117.0163 59.6330 29.3806 179.7222 79 K 3.9690 8.1747 117.2888 58.9456 32.2185 178.4135 80 L 4.4817 7.7797 116.2712 53.6801 42.1086 176.8976 81 G 3.7002 7.4970 106.5102 46.5873 0.0000 173.5031 82 C 4.1415 8.0003 116.6104 57.7109 29.5464 174.0942 83 F 4.6857 7.8129 120.9933 56.8781 39.4998 174.9272 84 W 4.7485 8.3300 131.5181 54.9175 33.0024 173.6121 85 P 3.6253 0.0000 0.0000 61.9727 32.4839 174.1848 86 N 4.8499 7.8703 114.4543 50.7155 41.1423 174.5989 87 A 4.0517 8.7333 123.7026 56.2813 18.2313 180.1415 88 E 4.1833 8.5047 117.9529 61.2349 30.0010 181.8244 89 V 4.1460 7.7803 118.4846 66.4665 31.6987 183.4974 90 D 4.6328 8.1902 119.3255 57.3229 40.8121 178.5963 91 R 3.9183 8.2176 119.3568 59.4932 30.0585 178.2219 92 F 4.0887 8.0763 119.9387 61.5604 39.4220 177.2254 93 F 4.1329 8.4072 119.2683 60.9359 38.6767 178.4063 94 L 4.1981 8.4334 122.2155 59.1783 40.7066 182.5763 95 A 4.1621 7.8457 120.5147 55.0765 18.2962 179.9475 96 V 3.4842 7.5634 116.7266 66.5091 31.5385 177.9801 97 H 4.2570 8.8618 116.5567 58.8888 28.3278 178.0420 98 G 3.6844 8.2202 109.0126 48.3153 0.0000 176.3114 99 R 4.0223 7.6622 121.4922 60.8413 29.6699 179.9619 100 Y 4.6782 8.2512 119.2559 58.9273 38.7556 177.9809 *101 F 4.8757 8.0369 116.1075 56.2430 39.3157 179.1622 102 R 3.9486 8.4408 123.3175 60.4912 29.6688 177.4902 103 S 4.4997 7.9427 108.4349 58.8006 62.9552 174.5678 104 C 4.5799 7.6567 117.6921 56.6537 40.6463 171.8295 105 P 4.4410 0.0000 0.0000 63.1098 31.1367 176.0751 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 27 C 8.44 4.23 0.00 2.70 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 28 Q 8.29 4.38 0.00 2.13 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.82 6.68 0.00 0.00 0.00 0.00 0.00 2.24 2.05 0.00 29 E 9.12 4.27 0.00 1.96 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 2.32 1.97 0.00 30 A 7.96 4.20 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 31 N 8.13 4.30 0.00 2.93 2.90 0.00 0.00 6.68 7.48 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 32 Y 8.24 4.22 0.00 3.08 3.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 G 8.25 3.58 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 A 7.85 3.91 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 0.00 0.00 0.00 0.00 0.00 35 L 7.86 4.18 0.00 1.68 1.70 0.92 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 36 L 7.35 3.81 0.00 1.26 0.46 0.08 0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 37 R 7.37 4.12 0.00 1.64 1.94 0.00 3.26 0.00 0.00 3.17 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.54 0.00 38 E 7.60 4.14 0.00 1.94 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 2.33 2.33 0.00 39 L 7.52 4.32 0.00 1.70 1.67 0.91 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 40 C 8.09 4.42 0.00 2.88 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 41 L 7.94 4.05 0.00 2.06 2.00 0.83 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 42 T 7.29 3.88 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 1.22 0.00 0.00 43 Q 8.19 4.04 0.00 2.08 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.88 6.92 0.00 0.00 0.00 0.00 0.00 2.43 2.37 0.00 *44 F 7.75 3.97 0.00 2.37 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 0.00 0.00 0.00 0.00 45 Q 8.36 4.38 0.00 2.25 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.79 0.00 0.00 0.00 0.00 0.00 2.54 2.48 0.00 46 V 7.73 3.68 2.23 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 1.01 0.00 0.00 1.02 0.00 0.00 47 D 8.06 4.43 0.00 2.74 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 48 M 8.50 4.42 0.00 1.42 1.83 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 2.41 0.00 49 E 8.19 4.46 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 2.46 2.50 0.00 50 A 7.69 4.42 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 51 V 7.62 3.87 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 0.80 0.00 0.00 0.93 0.00 0.00 52 G 8.30 4.09 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 0.00 0.00 0.00 53 E 8.51 2.00 0.00 1.53 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 1.47 1.84 0.00 54 T 7.70 3.87 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 1.21 0.00 0.00 55 L 7.95 4.84 0.00 1.49 1.62 0.92 0.85 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 56 W 8.07 4.65 0.00 3.49 3.24 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 0.00 57 C 8.21 4.43 0.00 3.01 3.18 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 58 D 8.24 4.64 0.00 2.80 2.75 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 *59 W 8.59 4.13 0.00 2.54 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 0.00 0.00 0.00 0.00 60 G 8.02 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 61 R 8.01 4.42 0.00 1.92 1.84 0.00 3.26 0.00 0.00 3.26 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.24 0.00 62 T 8.08 4.55 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 1.21 0.00 0.00 63 I 7.86 4.02 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 1.38 0.53 0.91 0.00 0.00 64 R 8.21 4.26 0.00 1.81 1.98 0.00 3.21 0.00 0.00 3.37 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.28 0.00 65 S 8.00 4.39 0.00 3.73 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 66 Y 8.36 4.27 0.00 3.14 3.12 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 67 R 8.75 3.99 0.00 1.80 1.93 0.00 3.32 0.00 0.00 3.17 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.55 0.00 68 E 8.05 4.21 0.00 1.96 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 2.31 2.41 0.00 69 L 7.92 3.92 0.00 1.85 1.80 1.02 1.02 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 70 A 8.35 4.54 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 0.00 0.00 0.00 0.00 0.00 71 D 8.15 4.16 0.00 2.72 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 72 C 8.09 4.50 0.00 3.13 3.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 T 8.01 3.83 4.98 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 1.72 0.00 0.00 74 W 8.20 3.46 0.00 2.83 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 75 H 8.12 4.34 0.00 3.42 3.35 0.00 5.68 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 76 M 8.48 4.12 0.00 2.21 2.43 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.85 0.00 77 A 8.18 3.76 1.50 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 0.00 0.00 0.00 78 E 8.04 3.78 0.00 2.29 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 2.15 2.15 0.00 79 K 8.17 3.97 0.00 1.90 1.89 0.00 1.72 0.00 0.00 1.71 0.00 0.00 3.01 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.48 1.63 7.81 80 L 7.78 4.48 0.00 1.75 1.62 1.01 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 81 G 7.50 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 0.00 0.00 0.00 82 C 8.00 4.14 0.00 2.50 2.35 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 0.00 83 F 7.81 4.69 0.00 2.98 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 84 W 8.33 4.75 0.00 2.92 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 85 P 0.00 3.63 0.00 1.74 0.70 0.00 3.68 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.32 0.00 86 N 7.87 4.85 0.00 2.95 2.92 0.00 0.00 5.83 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 87 A 8.73 4.05 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 88 E 8.50 4.18 0.00 1.99 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 1.94 0.00 89 V 7.78 4.15 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 0.76 0.00 0.00 0.93 0.00 0.00 90 D 8.19 4.63 0.00 2.95 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 91 R 8.22 3.92 0.00 2.17 2.02 0.00 3.13 0.00 0.00 3.13 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.69 0.00 92 F 8.08 4.09 0.00 3.07 3.14 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 0.00 0.00 0.00 93 F 8.41 4.13 0.00 3.44 3.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 L 8.43 4.20 0.00 1.65 1.67 0.92 0.71 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 95 A 7.85 4.16 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 96 V 7.56 3.48 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 0.98 0.00 0.00 -0.01 0.00 0.00 97 H 8.86 4.26 0.00 3.41 3.41 0.00 5.68 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 G 8.22 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.66 4.02 0.00 1.94 1.85 0.00 3.25 0.00 0.00 3.22 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.53 0.00 100 Y 8.25 4.68 0.00 2.79 2.45 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 0.00 0.00 0.00 0.00 *101 F 8.04 4.88 0.00 2.16 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 R 8.44 3.95 0.00 1.98 2.04 0.00 3.35 0.00 0.00 3.17 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.67 0.00 103 S 7.94 4.50 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 0.00 104 C 7.66 4.58 0.00 3.15 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 0.00 105 P 0.00 4.44 0.00 2.19 2.04 0.00 3.82 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 1.99 1.97 0.00 * Residues marked with a * may have inaccurate shift predictions.