NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 M 4.4519 8.2893 120.3498 55.0660 32.8659 175.1640 4 S 4.1221 8.3306 121.5363 56.9444 63.8205 173.5083 5 L 4.0842 8.7019 122.7002 56.9026 42.1324 179.3028 6 E 4.1843 8.2337 118.5829 59.1211 30.3729 177.6254 7 V 3.6122 7.5369 117.7514 66.0374 31.5371 177.3026 8 F 4.1879 8.4308 119.7505 61.8762 39.1848 176.9791 9 E 4.0177 8.0257 117.1169 58.8867 27.9879 179.0271 10 K 4.0503 7.9148 118.7562 58.3337 32.1448 178.6343 11 L 4.0215 7.1901 117.9480 57.3843 42.0094 178.2433 12 E 3.6647 8.0214 119.2434 59.2515 29.1354 178.5381 13 A 4.1146 7.5157 119.4183 54.1359 18.8013 179.5384 14 K 3.9475 7.3614 114.7622 59.1135 32.0895 179.6787 15 V 3.5003 7.9020 118.8215 66.4387 31.4125 177.1062 16 Q 3.8028 7.7173 118.4546 60.0590 28.4791 178.4859 17 Q 3.8806 7.9319 120.7395 59.2650 29.6204 178.5594 18 A 4.1335 8.2238 121.7173 55.4425 18.4174 179.7661 19 I 3.7328 8.0909 118.6419 64.3811 36.9730 177.8991 20 D 4.6285 8.5099 117.5747 56.1233 40.8236 176.9557 21 T 4.4398 8.0056 115.0963 64.6563 71.5710 176.1642 22 I 3.6596 7.6577 120.7523 62.9970 37.5038 178.3281 23 T 3.9718 8.9847 114.2477 65.0310 68.0222 178.4801 24 L 3.5147 8.3594 130.2085 57.4126 44.8947 175.2586 25 L 3.9589 8.3755 117.7454 58.0744 41.6760 179.5058 26 Q 4.0099 8.9409 120.3078 59.3402 28.8557 178.2586 27 M 4.0196 7.9180 119.1975 58.6194 32.0127 178.1285 28 E 3.9600 8.5798 118.9101 59.6648 29.6191 179.7702 29 I 3.6749 8.1757 119.9587 64.4698 37.3174 177.7535 30 E 3.9705 8.3877 120.2905 59.7937 29.2668 178.9378 31 E 4.0307 8.4031 118.3151 59.2457 29.4764 179.2611 32 L 4.0742 7.6928 119.2185 57.3503 41.9640 179.0905 33 K 3.9086 8.6155 119.9439 58.8139 31.8796 177.7224 34 E 4.3284 7.4998 118.0733 57.8721 30.0934 177.6725 35 K 3.9443 8.4387 119.7754 58.9299 32.1488 177.9951 36 N 4.4779 8.1153 117.3713 56.0308 39.1464 176.4233 37 N 4.4558 7.7186 117.2624 56.4706 39.0766 176.8794 38 S 4.0821 8.2850 114.9383 61.3723 62.4244 176.1685 39 L 4.0577 7.5707 120.4686 57.3613 41.3993 179.1357 40 S 4.0591 8.4965 113.7810 61.6719 62.1927 176.0570 41 Q 4.0620 7.9898 121.9132 59.0993 28.6180 178.0946 42 E 3.8862 8.0271 120.0325 59.2799 29.9112 178.7757 43 V 3.6740 8.0474 117.6244 64.9723 31.3760 176.9569 44 Q 4.1901 7.5397 117.1487 58.8087 29.2578 176.8174 45 N 4.4374 8.0290 116.7230 55.4502 38.6090 177.3212 46 A 4.0199 8.2302 122.9782 54.8216 18.4255 179.4770 47 Q 3.8744 7.6294 117.5161 59.5774 29.0804 177.6888 48 H 4.2092 8.3488 117.7358 58.4919 30.0982 176.3134 49 Q 4.1709 7.6488 121.1528 58.3865 29.2920 177.6768 50 R 3.8559 8.0887 119.1581 59.3553 30.1751 178.1344 51 E 4.1874 8.2244 115.5749 57.3815 29.8656 176.8125 52 E 4.5361 7.9420 117.1605 56.8560 30.9242 177.2863 53 L 4.1108 7.7563 118.7133 58.3914 41.5755 178.8158 54 E 3.9628 7.9189 117.9961 59.2743 29.3708 179.7281 55 R 4.0505 7.8591 118.1677 58.8651 30.5529 177.8365 56 E 3.9586 7.7786 117.8421 59.0096 29.6305 178.0178 57 N 4.2724 8.7792 117.5492 57.0706 38.9363 176.5741 58 N 4.3618 7.8468 116.6659 56.4919 38.5872 176.7611 59 H 4.1341 8.3859 119.6745 59.3653 29.8815 177.2430 60 L 3.9059 8.1783 120.5984 57.6484 41.5814 179.0686 61 K 3.9021 8.1429 119.4482 59.8058 31.9984 178.1645 62 E 3.8764 8.0526 118.9019 59.4687 29.8067 178.5944 63 Q 3.9882 8.0247 119.4642 58.9759 28.9560 177.9719 64 Q 4.2127 8.6792 120.9968 58.8856 29.0548 177.4689 65 N 4.7095 8.3945 116.6691 56.4660 38.7877 176.3289 66 G 3.5813 8.4673 107.6944 47.5438 0.0000 175.1884 67 W 4.2861 8.6761 120.0957 59.1378 28.9323 178.3423 68 Q 4.3249 8.8601 119.4888 58.3778 28.2259 177.7442 69 E 4.3579 8.2071 118.6669 58.4410 30.7189 177.8524 70 R 3.3571 8.0380 118.0974 59.5608 29.6474 177.8493 71 L 4.1142 8.5974 120.4190 57.7518 41.8793 178.4709 72 Q 4.0015 7.4116 119.1453 59.0998 29.3359 176.8587 73 A 3.9438 8.8929 122.3893 55.2488 17.8624 179.2508 74 L 3.8803 8.2672 115.6843 58.0587 41.9586 180.1992 75 L 4.2401 7.8318 118.8681 57.3127 41.4943 179.5779 76 G 3.5758 8.0737 105.8225 47.9331 0.0000 175.5632 77 R 3.8308 8.0159 119.7385 59.4117 30.0159 177.6459 78 M 4.2178 7.5066 115.7488 57.8091 32.3677 177.0364 79 E 4.4163 7.8126 116.2091 55.8523 30.3463 176.1643 80 E 4.5291 8.0650 121.6845 57.0169 29.9437 177.0026 *81 V 3.9215 8.5789 126.1088 62.0024 32.3887 174.3814 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 3 M 8.29 4.45 0.00 2.04 2.13 0.00 0.00 0.00 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.68 0.00 4 S 8.33 4.12 0.00 4.13 3.99 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 5 L 8.70 4.08 0.00 1.71 1.71 0.89 0.82 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 6 E 8.23 4.18 0.00 2.06 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 2.26 2.45 0.00 7 V 7.54 3.61 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 0.98 0.00 0.00 0.96 0.00 0.00 8 F 8.43 4.19 0.00 3.23 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 9 E 8.03 4.02 0.00 2.32 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 2.49 2.70 0.00 10 K 7.91 4.05 0.00 2.05 1.80 0.00 1.62 0.00 0.00 1.65 0.00 0.00 2.93 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.43 1.48 7.81 11 L 7.19 4.02 0.00 1.87 1.49 0.89 0.65 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 12 E 8.02 3.66 0.00 1.52 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 2.23 2.24 0.00 13 A 7.52 4.11 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 14 K 7.36 3.95 0.00 1.89 1.83 0.00 1.65 0.00 0.00 1.55 0.00 0.00 2.86 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.43 1.54 7.81 15 V 7.90 3.50 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 1.00 0.00 0.00 0.91 0.00 0.00 16 Q 7.72 3.80 0.00 2.29 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.52 0.00 0.00 0.00 0.00 0.00 2.35 2.43 0.00 17 Q 7.93 3.88 0.00 2.22 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.71 0.00 0.00 0.00 0.00 0.00 2.37 2.38 0.00 18 A 8.22 4.13 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 19 I 8.09 3.73 2.07 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 1.51 0.54 0.97 0.00 0.00 20 D 8.51 4.63 0.00 2.74 2.71 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 21 T 8.01 4.44 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 22 I 7.66 3.66 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 1.72 0.68 0.91 0.00 0.00 23 T 8.98 3.97 4.37 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 1.21 0.00 0.00 24 L 8.36 3.51 0.00 1.86 1.78 0.92 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 25 L 8.38 3.96 0.00 1.71 1.71 0.92 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 26 Q 8.94 4.01 0.00 2.21 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.81 0.00 0.00 0.00 0.00 0.00 2.35 2.45 0.00 27 M 7.92 4.02 0.00 2.10 2.25 0.00 0.00 0.00 0.00 0.00 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.69 2.63 0.00 28 E 8.58 3.96 0.00 2.11 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 2.33 2.50 0.00 29 I 8.18 3.67 2.04 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 1.56 0.80 0.91 0.00 0.00 30 E 8.39 3.97 0.00 2.27 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 2.31 2.42 0.00 31 E 8.40 4.03 0.00 2.18 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 2.33 2.54 0.00 32 L 7.69 4.07 0.00 1.63 1.70 0.92 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 33 K 8.62 3.91 0.00 1.92 1.93 0.00 1.61 0.00 0.00 1.74 0.00 0.00 2.88 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.44 1.46 7.81 34 E 7.50 4.33 0.00 2.38 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 2.22 2.28 0.00 35 K 8.44 3.94 0.00 1.91 1.88 0.00 1.56 0.00 0.00 1.57 0.00 0.00 2.98 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.43 1.49 7.81 36 N 8.12 4.48 0.00 2.90 2.91 0.00 0.00 6.66 6.82 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 37 N 7.72 4.46 0.00 3.15 2.79 0.00 0.00 6.81 7.32 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 38 S 8.28 4.08 0.00 3.93 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 39 L 7.57 4.06 0.00 1.90 1.69 0.92 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 40 S 8.50 4.06 0.00 3.84 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 41 Q 7.99 4.06 0.00 2.23 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.59 0.00 0.00 0.00 0.00 0.00 2.36 2.42 0.00 42 E 8.03 3.89 0.00 2.11 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 2.31 2.31 0.00 43 V 8.05 3.67 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 0.94 0.00 0.00 0.93 0.00 0.00 44 Q 7.54 4.19 0.00 2.21 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.02 6.60 0.00 0.00 0.00 0.00 0.00 2.28 2.38 0.00 45 N 8.03 4.44 0.00 2.82 2.86 0.00 0.00 6.89 8.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 A 8.23 4.02 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 47 Q 7.63 3.87 0.00 2.57 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.75 0.00 0.00 0.00 0.00 0.00 2.36 2.41 0.00 48 H 8.35 4.21 0.00 3.17 3.43 0.00 5.99 0.00 0.00 0.00 0.00 6.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 Q 7.65 4.17 0.00 2.43 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.58 0.00 0.00 0.00 0.00 0.00 2.30 2.38 0.00 50 R 8.09 3.86 0.00 2.07 1.96 0.00 3.18 0.00 0.00 3.28 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.57 0.00 51 E 8.22 4.19 0.00 2.11 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 0.00 2.32 2.24 0.00 52 E 7.94 4.54 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 2.15 2.23 0.00 53 L 7.76 4.11 0.00 1.89 1.68 0.92 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 54 E 7.92 3.96 0.00 2.02 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 2.34 2.37 0.00 55 R 7.86 4.05 0.00 1.87 1.90 0.00 3.18 0.00 0.00 3.26 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.68 0.00 56 E 7.78 3.96 0.00 2.18 2.04 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 2.31 2.38 0.00 57 N 8.78 4.27 0.00 2.83 2.97 0.00 0.00 7.22 6.89 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 58 N 7.85 4.36 0.00 3.00 2.87 0.00 0.00 6.73 8.04 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 59 H 8.39 4.13 0.00 3.27 3.50 0.00 5.78 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 60 L 8.18 3.91 0.00 1.89 1.70 0.94 0.63 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 61 K 8.14 3.90 0.00 2.00 1.86 0.00 1.53 0.00 0.00 1.58 0.00 0.00 2.98 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.46 1.55 7.81 62 E 8.05 3.88 0.00 2.29 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 2.30 2.31 0.00 63 Q 8.02 3.99 0.00 2.20 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.57 0.00 0.00 0.00 0.00 0.00 2.64 2.48 0.00 64 Q 8.68 4.21 0.00 2.13 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.57 0.00 0.00 0.00 0.00 0.00 2.38 2.41 0.00 65 N 8.39 4.71 0.00 2.97 2.89 0.00 0.00 7.01 7.34 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 66 G 8.47 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 67 W 8.68 4.29 0.00 3.54 3.31 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 68 Q 8.86 4.32 0.00 2.28 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.61 0.00 0.00 0.00 0.00 0.00 2.39 2.49 0.00 69 E 8.21 4.36 0.00 2.18 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 0.00 2.25 2.30 0.00 70 R 8.04 3.36 0.00 1.66 1.90 0.00 3.07 0.00 0.00 3.26 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.37 0.00 71 L 8.60 4.11 0.00 1.86 1.81 0.97 0.56 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 72 Q 7.41 4.00 0.00 2.30 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.68 0.00 0.00 0.00 0.00 0.00 2.38 2.38 0.00 73 A 8.89 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 L 8.27 3.88 0.00 1.98 1.81 1.04 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 75 L 7.83 4.24 0.00 1.79 1.91 0.94 0.90 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 76 G 8.07 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 77 R 8.02 3.83 0.00 1.81 2.17 0.00 3.23 0.00 0.00 3.15 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.70 0.00 78 M 7.51 4.22 0.00 2.24 2.08 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 2.61 2.58 0.00 79 E 7.81 4.42 0.00 2.01 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 2.32 2.34 0.00 80 E 8.07 4.53 0.00 2.02 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 2.22 2.34 0.00 *81 V 8.58 3.92 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 0.66 0.00 0.00 0.93 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.