NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 P 4.2939 0.0000 0.0000 60.1675 31.7103 174.6940 2 R 4.1654 7.7742 122.7545 55.2784 28.0181 172.9746 3 S 4.9293 8.8547 116.6839 56.5900 66.7065 174.7913 4 L 4.7181 7.9693 119.4587 54.7725 44.3799 177.6499 5 K 3.8434 7.9842 121.8190 57.5958 29.9007 178.8724 6 K 4.4194 8.9604 129.0003 57.2380 34.7983 175.9666 7 G 4.2221 9.3149 116.6035 44.8301 0.0000 171.3616 8 P 4.5472 0.0000 0.0000 62.8414 33.0302 176.8165 9 F 5.3056 8.9313 122.5932 56.4845 42.3365 173.3560 10 I 4.4089 7.7888 119.1595 58.5276 39.8762 175.2409 11 D 3.7930 8.0384 125.1726 54.0861 40.9680 177.1833 12 L 4.0512 8.0618 120.2401 58.5179 41.8350 177.6007 13 H 4.2751 7.8195 116.4768 58.9680 28.6971 177.0226 14 L 4.0344 7.6408 120.9266 58.0054 40.7533 178.7546 15 L 3.8302 7.3441 121.0099 57.5771 42.0019 178.6033 16 K 3.8778 7.6646 119.1744 59.6106 32.3528 179.1000 17 K 4.0700 7.7421 118.3294 58.5684 31.7169 179.0017 18 V 4.1133 7.6701 117.5981 62.1435 32.1907 176.7208 19 E 4.4545 8.1010 118.4419 56.1155 29.5496 176.0219 20 K 4.3534 7.9446 118.3553 57.1071 33.7297 175.8809 21 A 4.8503 7.5816 121.5701 51.8984 19.1705 177.2811 22 V 4.1403 7.7969 121.1396 65.0990 33.6542 176.2527 23 E 4.4348 8.0417 116.5138 55.9352 29.5480 176.1462 24 S 4.3527 7.9264 111.0012 58.3282 65.0293 177.2481 25 G 3.8259 9.0852 112.8047 46.1012 0.0000 175.1644 26 D 4.6733 8.9735 116.8909 52.6125 44.6570 173.7555 27 K 4.4277 8.1051 123.2483 56.0977 35.0633 177.4386 28 K 4.7081 7.6598 119.4218 52.7212 36.3541 173.9587 29 P 4.5065 0.0000 0.0000 62.4411 31.9781 176.0577 30 L 4.6477 8.6494 123.0373 53.6327 44.9959 175.4855 31 R 4.5242 8.0313 119.2494 56.0718 32.4543 173.8908 32 T 4.3572 7.6701 119.1849 62.3403 73.1676 173.3983 33 W 4.4459 9.2769 122.2374 57.0255 29.0021 177.6903 34 S 4.4933 8.0063 116.4098 58.1611 61.1577 173.6781 35 R 4.4398 8.1894 121.4538 56.2150 30.7090 178.5430 36 R 4.1637 8.1106 116.8717 57.7059 30.2144 176.1102 37 S 5.6450 7.4517 112.5822 56.3430 65.0139 173.7902 38 T 5.0508 8.1497 117.4912 61.0103 71.1183 174.1609 39 I 4.0503 8.2648 125.6003 61.6692 37.6313 176.4059 40 F 4.6767 8.7772 126.7912 55.4151 41.1272 173.4263 41 P 4.3313 0.0000 0.0000 66.3588 31.0110 177.7274 42 N 4.7171 7.8453 119.5684 52.0991 37.2143 174.4689 43 M 4.6261 7.7463 115.8374 55.3397 37.1482 174.9358 44 I 4.1721 7.7853 121.5900 62.1932 37.7119 175.8718 45 G 3.8998 8.7574 114.4551 46.7385 0.0000 173.5325 46 L 5.1733 7.7169 121.2619 53.8837 45.3593 175.7153 47 T 4.9697 8.2661 112.0343 61.6728 72.1074 173.3485 48 I 4.7834 9.0590 126.3252 59.2744 40.5486 174.4668 49 A 4.6705 9.1420 128.3155 50.5488 20.4327 175.5060 50 V 4.3339 8.0124 122.5151 62.3494 33.3959 174.7392 51 H 4.1710 8.5829 127.6641 57.0411 30.4918 172.6647 52 N 4.5227 8.1730 120.2233 53.2804 39.3794 175.4779 53 G 4.2271 8.4134 114.0353 44.8234 0.0000 172.4368 54 R 4.4633 7.6752 112.2761 55.6112 31.6721 175.3651 55 Q 4.7374 8.1190 113.8510 54.0560 32.0950 174.9968 56 H 4.7211 8.7914 119.0228 55.7874 30.0166 175.1145 57 V 4.3188 8.9167 117.1524 58.8870 33.1316 173.8311 58 P 4.4854 0.0000 0.0000 63.5738 31.8917 176.3680 59 V 4.2184 8.4137 115.6555 60.1363 36.6248 173.5005 60 F 5.3879 8.4721 124.6802 55.8916 39.4310 175.6389 61 V 3.1483 8.4094 125.2911 64.6641 31.9755 175.8497 62 T 3.9216 8.9555 124.7187 63.3234 66.6338 173.0592 63 D 4.4725 6.0500 125.8470 55.3863 46.1980 177.2611 64 E 4.2339 8.4065 113.9653 57.4392 29.0782 176.4966 65 M 4.9024 7.7933 116.6124 54.6035 31.3675 177.3617 66 V 3.6162 7.6514 112.8410 64.8516 32.4802 178.6609 67 G 3.9457 8.3349 112.2503 49.3079 0.0000 173.2815 68 H 4.0825 8.4443 115.6275 55.4999 30.8330 173.7411 69 K 3.9072 8.7913 119.9582 58.3100 31.2557 176.8713 70 L 3.9023 8.6136 129.7120 56.6130 48.7725 175.2654 71 G 3.6390 7.9653 102.9294 46.3669 0.0000 174.0616 72 E 3.9282 7.4462 121.0827 58.5213 30.1588 178.1562 73 F 4.7824 5.8723 112.8002 54.5044 37.0930 177.5712 74 A 4.6619 7.3956 121.5353 50.6639 20.8837 174.0976 75 P 4.3629 0.0000 0.0000 62.8771 32.4104 176.9553 76 T 4.4586 8.2972 113.4300 65.0686 72.1159 175.1262 77 R 4.2451 7.8627 115.9501 55.8555 30.4728 175.6942 78 T 4.5219 8.3741 116.3239 62.0688 70.9853 173.2898 79 Y 4.4705 8.0900 126.8214 56.3056 40.2019 174.5596 80 R 3.4400 8.0885 128.2478 56.7035 27.2437 176.9861 *81 G 3.7274 7.7454 109.0436 45.8300 0.0000 171.3923 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 P 0.00 4.29 0.00 2.20 2.17 0.00 3.71 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 2.01 0.00 2 R 7.77 4.17 0.00 1.95 2.26 0.00 3.15 0.00 0.00 3.24 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.68 0.00 3 S 8.85 4.93 0.00 3.94 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 4 L 7.97 4.72 0.00 1.59 1.66 0.93 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 5 K 7.98 3.84 0.00 1.90 1.17 0.00 1.57 0.00 0.00 1.70 0.00 0.00 2.87 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.33 1.50 7.81 6 K 8.96 4.42 0.00 1.68 1.68 0.00 1.72 0.00 0.00 1.71 0.00 0.00 2.94 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.33 1.40 7.81 7 G 9.31 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 0.00 0.00 0.00 0.00 8 P 0.00 4.55 0.00 2.02 2.12 0.00 3.60 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 2.02 2.14 0.00 9 F 8.93 5.31 0.00 3.00 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 10 I 7.79 4.41 1.43 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.35 -0.04 0.77 0.00 0.00 11 D 8.04 3.79 0.00 2.52 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 0.00 0.00 0.00 0.00 12 L 8.06 4.05 0.00 1.69 1.62 0.95 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 13 H 7.82 4.28 0.00 3.24 3.30 0.00 5.67 0.00 0.00 0.00 0.00 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 L 7.64 4.03 0.00 1.86 1.89 0.77 0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 15 L 7.34 3.83 0.00 1.93 1.56 0.67 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 16 K 7.66 3.88 0.00 1.87 2.05 0.00 1.70 0.00 0.00 1.65 0.00 0.00 2.93 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.43 1.48 7.81 17 K 7.74 4.07 0.00 1.91 1.82 0.00 1.71 0.00 0.00 1.70 0.00 0.00 3.00 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.60 1.59 7.81 18 V 7.67 4.11 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 0.75 0.00 0.00 0.97 0.00 0.00 19 E 8.10 4.45 0.00 2.08 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 2.24 2.34 0.00 20 K 7.94 4.35 0.00 1.90 1.80 0.00 1.69 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.34 1.56 7.81 21 A 7.58 4.85 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 22 V 7.80 4.14 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 1.11 0.00 0.00 1.01 0.00 0.00 23 E 8.04 4.43 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 2.22 2.28 0.00 24 S 7.93 4.35 0.00 4.09 4.26 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 25 G 9.09 3.83 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 0.00 0.00 0.00 26 D 8.97 4.67 0.00 2.62 2.55 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.11 4.43 0.00 1.80 1.68 0.00 1.51 0.00 0.00 1.75 0.00 0.00 3.03 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.29 1.40 7.81 28 K 7.66 4.71 0.00 1.81 1.81 0.00 1.59 0.00 0.00 1.75 0.00 0.00 2.86 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.27 1.30 7.81 29 P 0.00 4.51 0.00 2.00 1.98 0.00 3.32 0.00 0.00 4.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.78 0.00 30 L 8.65 4.65 0.00 1.53 1.57 0.92 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 31 R 8.03 4.52 0.00 1.60 1.52 0.00 3.07 0.00 0.00 2.94 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 1.32 0.00 32 T 7.67 4.36 4.26 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 1.48 0.00 0.00 33 W 9.28 4.45 0.00 3.28 3.01 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 34 S 8.01 4.49 0.00 3.88 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 35 R 8.19 4.44 0.00 1.97 2.12 0.00 3.02 0.00 0.00 3.35 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.65 0.00 36 R 8.11 4.16 0.00 1.92 2.10 0.00 3.63 0.00 0.00 3.43 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.68 0.00 37 S 7.45 5.65 0.00 3.77 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 38 T 8.15 5.05 4.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 39 I 8.26 4.05 2.01 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.89 1.00 0.00 0.00 40 F 8.78 4.68 0.00 2.90 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 41 P 0.00 4.33 0.00 2.09 2.15 0.00 3.84 0.00 0.00 3.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.06 0.00 42 N 7.85 4.72 0.00 2.70 2.80 0.00 0.00 6.78 7.65 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 43 M 7.75 4.63 0.00 2.04 2.08 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.54 0.00 44 I 7.79 4.17 1.88 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.49 1.03 0.00 0.00 45 G 8.76 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 0.00 0.00 0.00 46 L 7.72 5.17 0.00 1.76 1.52 0.97 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 47 T 8.27 4.97 4.11 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 0.00 0.00 0.99 0.00 0.00 48 I 9.06 4.78 1.86 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.71 0.90 0.00 0.00 49 A 9.14 4.67 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 50 V 8.01 4.33 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 0.88 0.00 0.00 0.99 0.00 0.00 51 H 8.58 4.17 0.00 2.15 3.00 0.00 5.75 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 52 N 8.17 4.52 0.00 2.74 2.65 0.00 0.00 6.66 7.53 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 53 G 8.41 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 0.00 0.00 0.00 0.00 54 R 7.68 4.46 0.00 1.92 1.82 0.00 3.04 0.00 0.00 3.24 7.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.60 0.00 55 Q 8.12 4.74 0.00 2.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.54 7.13 0.00 0.00 0.00 0.00 0.00 2.41 2.33 0.00 56 H 8.79 4.72 0.00 2.86 3.18 0.00 5.70 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 V 8.92 4.32 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 0.79 0.00 0.00 0.93 0.00 0.00 58 P 0.00 4.49 0.00 1.86 1.93 0.00 3.73 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.94 0.00 59 V 8.41 4.22 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 0.66 0.00 0.00 1.00 0.00 0.00 60 F 8.47 5.39 0.00 2.87 3.01 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 61 V 8.41 3.15 2.29 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 0.93 0.00 0.00 0.95 0.00 0.00 62 T 8.96 3.92 4.18 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 1.08 0.00 0.00 63 D 6.05 4.47 0.00 2.73 2.54 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 0.00 0.00 0.00 0.00 64 E 8.41 4.23 0.00 1.97 1.96 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 2.30 2.28 0.00 65 M 7.79 4.90 0.00 2.06 2.21 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.36 0.00 66 V 7.65 3.62 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 0.89 0.00 0.00 0.96 0.00 0.00 67 G 8.33 3.95 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 H 8.44 4.08 0.00 3.27 3.94 0.00 5.93 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 K 8.79 3.91 0.00 1.83 1.72 0.00 1.94 0.00 0.00 1.62 0.00 0.00 2.93 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.47 1.55 7.81 70 L 8.61 3.90 0.00 1.89 1.62 1.11 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 71 G 7.97 3.64 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 0.00 72 E 7.45 3.93 0.00 1.32 1.89 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 2.27 2.07 0.00 73 F 5.87 4.78 0.00 3.13 3.11 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 0.00 0.00 0.00 74 A 7.40 4.66 1.20 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 75 P 0.00 4.36 0.00 2.19 2.14 0.00 3.74 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.06 0.00 76 T 8.30 4.46 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 1.22 0.00 0.00 77 R 7.86 4.25 0.00 1.94 1.94 0.00 2.97 0.00 0.00 3.22 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.66 0.00 78 T 8.37 4.52 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 1.23 0.00 0.00 79 Y 8.09 4.47 0.00 2.80 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 80 R 8.09 3.44 0.00 1.45 1.69 0.00 2.61 0.00 0.00 2.25 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.94 0.00 *81 G 7.75 3.73 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 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.