NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.2642 8.3001 118.7933 54.2127 34.2336 175.3998 2 A 3.5335 7.9465 119.2673 52.8844 15.4841 175.9706 *3 H 4.6238 8.0454 119.9021 54.1552 31.4060 176.8253 4 K 4.6666 8.2195 129.9250 53.9547 30.4741 179.6875 5 K 5.2362 7.9626 118.8410 56.7708 32.9148 172.2815 6 G 4.0057 8.0175 115.6024 44.9849 0.0000 171.4324 7 L 4.7659 8.2267 119.8080 52.2132 44.3900 178.7496 8 G 3.9527 8.4869 115.8536 44.4010 0.0000 173.9998 9 S 4.5636 8.0891 118.9317 58.5725 62.5113 174.3868 10 T 3.9889 7.5198 119.1392 65.0293 67.8613 174.4087 11 R 4.3783 8.5457 126.1435 56.4718 31.0024 175.9892 12 N 4.8234 7.9462 113.2180 53.3202 38.9312 175.2159 13 G 3.6638 7.7300 107.6949 45.7548 0.0000 171.7093 14 R 4.2980 7.9533 117.7399 54.2596 31.2303 173.4573 15 D 4.3879 7.7753 121.6517 53.5647 43.7239 175.4773 16 S 4.4308 8.6906 121.6978 58.4045 63.7407 173.1283 17 Q 4.5193 8.1912 119.0373 54.4589 30.0007 175.0136 18 A 3.7526 7.8913 122.5933 51.7931 18.9004 177.2449 19 K 4.2960 8.7123 121.3083 55.5353 33.2345 176.4739 20 R 3.6686 7.8189 117.2091 57.1141 27.4880 175.2577 21 L 4.2174 7.4417 116.3872 53.7543 43.3396 175.2142 22 G 3.7112 8.8332 105.4347 43.9274 0.0000 173.5126 23 V 3.8439 8.0809 118.5898 62.8428 31.8630 175.5865 24 K 4.3333 8.7858 124.8155 56.2322 34.3333 176.8800 25 R 4.5050 7.4690 115.9429 54.2821 33.4882 174.1658 26 Y 4.8579 8.2443 118.5678 55.5714 40.6072 174.5600 27 E 4.3334 8.7087 122.1150 58.0593 30.1133 177.6976 28 G 3.9870 9.4833 113.4397 45.7514 0.0000 172.9052 29 Q 4.5743 7.8866 119.6789 54.1947 30.4607 175.5549 30 V 3.9899 8.4339 124.1540 63.2184 32.6215 175.2052 31 V 4.6748 8.5925 119.1140 59.9159 36.6664 174.2818 32 R 4.9171 8.3190 119.6659 54.0416 32.8155 176.1345 33 A 4.4377 8.2561 125.4843 53.3325 18.7944 177.3915 34 G 4.1685 8.8926 111.0763 45.3097 0.0000 174.0269 35 N 4.2810 8.4266 117.2792 54.1950 39.5030 174.3540 36 I 4.4134 8.3530 123.0606 60.6683 38.9953 174.8126 37 L 4.6270 9.2306 127.3266 55.6727 44.9365 176.8002 38 V 4.7257 7.5227 116.7944 61.2309 35.4865 173.8318 39 R 5.1170 8.8636 126.6221 54.4515 32.5644 174.9280 40 Q 4.4820 8.4758 120.1319 55.2249 31.0333 173.7974 41 R 3.9776 9.0498 119.3878 57.3292 31.6896 180.7267 42 G 3.3941 7.1008 110.5358 46.0879 0.0000 173.8628 43 T 4.5656 8.1305 119.7531 62.4325 67.2332 177.2326 44 R 3.6646 7.1183 120.6409 56.1093 30.5757 176.3279 45 F 4.8008 8.3794 116.0068 55.5891 42.6555 174.6737 46 K 4.5754 8.5905 123.3510 53.9026 34.3617 174.1259 47 P 4.4523 0.0000 0.0000 62.9497 31.8815 176.2009 48 G 4.3336 8.4323 112.1976 44.8599 0.0000 172.4920 49 K 3.8023 9.2394 120.1259 57.5753 33.3105 177.1302 50 N 4.2052 8.8739 122.6090 53.7378 35.8758 174.8917 51 V 4.3072 7.3782 117.3240 61.7074 34.3687 174.7806 52 G 3.3400 7.8255 116.1661 45.5649 0.0000 171.2438 53 M 5.5000 8.1382 118.6569 54.0322 35.3891 174.6458 54 G 4.0350 9.2595 113.5602 44.5915 0.0000 174.7573 55 R 3.7085 8.4342 118.6204 59.0110 30.0227 177.4567 56 D 4.8340 7.9786 113.7597 52.9693 39.5970 176.6086 57 F 3.8156 8.6910 116.8836 58.5419 36.9792 174.7574 58 T 4.4257 8.1856 119.1301 63.5985 69.3604 173.8608 59 L 5.2395 8.5674 126.2713 53.9321 43.9660 175.6705 60 F 5.3337 8.2930 115.6432 55.1713 41.8703 173.6103 61 A 4.4174 9.0760 122.4824 52.6742 18.9045 178.0253 62 L 4.6980 8.3097 118.1122 54.8840 44.3227 176.7187 63 V 4.6342 7.4395 110.5167 59.3577 36.5563 174.3991 64 D 4.7560 8.4806 121.1089 54.5222 42.3506 175.9134 65 G 4.2633 8.0149 106.6277 42.7636 0.0000 173.0389 66 V 4.1886 7.7876 120.4050 62.7742 32.8298 175.0638 67 V 4.5798 8.3274 126.9873 62.2242 32.8906 174.5627 68 E 5.2700 9.2349 125.3598 54.6424 32.8890 174.6011 69 F 5.3466 9.0974 119.3542 55.9912 41.8937 174.8981 70 Q 4.6856 9.5984 122.7675 54.6250 32.4407 173.4538 71 D 5.3168 8.6170 124.8158 52.6759 44.3281 175.9685 72 R 4.5217 8.6960 116.5384 56.8807 34.1338 179.8991 73 G 3.8230 8.1157 110.3138 46.2884 0.0000 178.0210 74 R 4.0263 9.2094 125.7153 58.5869 30.4627 177.5238 75 L 4.1531 8.6585 118.5596 57.5673 42.3641 175.7770 76 G 3.8333 7.6075 103.1060 43.7611 0.0000 172.2536 77 R 5.0293 8.1778 117.5768 55.3109 32.1047 175.6740 78 Y 5.0510 9.7575 120.6375 56.1939 42.2043 174.4756 79 V 4.4129 8.2770 122.5769 61.4589 34.1128 174.2118 80 H 5.3464 9.4787 123.5225 53.9561 33.5433 172.4516 81 V 4.8498 8.6851 120.1590 61.1532 33.2729 174.9618 82 R 4.4419 8.8374 126.1976 54.5528 30.9434 176.0770 83 P 4.9142 0.0000 0.0000 62.1350 31.8666 174.7526 84 L 4.6303 8.0171 116.0452 55.1267 43.2942 175.2884 85 A 4.2362 8.2403 121.0203 52.5023 19.2951 176.0432 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 M 8.30 4.26 0.00 2.05 2.05 0.00 0.00 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.12 0.00 2 A 7.95 3.53 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 0.00 0.00 0.00 0.00 0.00 *3 H 8.05 4.62 0.00 2.94 2.86 0.00 7.19 0.00 0.00 0.00 0.00 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 K 8.22 4.67 0.00 1.76 1.32 0.00 1.89 0.00 0.00 1.74 0.00 0.00 2.96 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.30 0.99 7.81 5 K 7.96 5.24 0.00 1.80 1.66 0.00 1.77 0.00 0.00 1.71 0.00 0.00 2.96 0.00 0.00 2.53 0.00 0.00 0.00 0.00 1.11 0.76 7.81 6 G 8.02 4.01 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 0.00 7 L 8.23 4.77 0.00 1.62 1.40 0.92 0.74 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 8 G 8.49 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 9 S 8.09 4.56 0.00 3.64 3.74 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 10 T 7.52 3.99 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 1.23 0.00 0.00 11 R 8.55 4.38 0.00 1.75 1.92 0.00 3.22 0.00 0.00 3.22 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.62 0.00 12 N 7.95 4.82 0.00 2.74 2.81 0.00 0.00 6.93 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 13 G 7.73 3.66 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 R 7.95 4.30 0.00 1.87 2.06 0.00 3.28 0.00 0.00 3.15 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.37 0.00 15 D 7.78 4.39 0.00 2.59 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 16 S 8.69 4.43 0.00 3.90 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 17 Q 8.19 4.52 0.00 2.14 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.63 0.00 0.00 0.00 0.00 0.00 2.24 2.33 0.00 18 A 7.89 3.75 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 19 K 8.71 4.30 0.00 1.75 1.86 0.00 1.92 0.00 0.00 1.71 0.00 0.00 3.06 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.52 1.39 7.81 20 R 7.82 3.67 0.00 1.89 1.95 0.00 3.37 0.00 0.00 3.23 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.57 0.00 21 L 7.44 4.22 0.00 1.65 1.77 0.93 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 22 G 8.83 3.71 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 0.00 0.00 0.00 23 V 8.08 3.84 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 0.56 0.00 0.00 0.72 0.00 0.00 24 K 8.79 4.33 0.00 1.73 1.71 0.00 1.67 0.00 0.00 1.64 0.00 0.00 3.09 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.46 1.46 7.81 25 R 7.47 4.50 0.00 1.65 1.77 0.00 3.14 0.00 0.00 3.17 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.66 0.00 26 Y 8.24 4.86 0.00 3.23 2.73 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 27 E 8.71 4.33 0.00 2.21 1.95 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 2.41 2.69 0.00 28 G 9.48 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 0.00 0.00 0.00 29 Q 7.89 4.57 0.00 2.35 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.94 0.00 0.00 0.00 0.00 0.00 2.38 2.38 0.00 30 V 8.43 3.99 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 0.79 0.00 0.00 0.95 0.00 0.00 31 V 8.59 4.67 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 0.87 0.00 0.00 1.01 0.00 0.00 32 R 8.32 4.92 0.00 1.90 1.82 0.00 3.14 0.00 0.00 3.35 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.62 0.00 33 A 8.26 4.44 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 34 G 8.89 4.17 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 0.00 35 N 8.43 4.28 0.00 2.82 2.80 0.00 0.00 6.46 6.91 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 36 I 8.35 4.41 1.88 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 1.52 1.04 0.88 0.00 0.00 37 L 9.23 4.63 0.00 1.60 1.52 0.85 0.68 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 38 V 7.52 4.73 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 0.86 0.00 0.00 0.56 0.00 0.00 39 R 8.86 5.12 0.00 1.77 1.80 0.00 3.37 0.00 0.00 3.23 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.67 0.00 40 Q 8.48 4.48 0.00 2.07 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.78 7.11 0.00 0.00 0.00 0.00 0.00 2.42 2.64 0.00 41 R 9.05 3.98 0.00 1.72 1.83 0.00 3.25 0.00 0.00 3.23 7.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.68 0.00 42 G 7.10 3.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.13 4.57 4.44 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 0.00 0.00 0.00 1.20 0.00 0.00 44 R 7.12 3.66 0.00 2.20 1.95 0.00 3.21 0.00 0.00 3.28 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.68 0.00 45 F 8.38 4.80 0.00 2.88 2.84 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 46 K 8.59 4.58 0.00 0.79 1.36 0.00 1.30 0.00 0.00 1.57 0.00 0.00 2.83 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.19 0.93 7.81 47 P 0.00 4.45 0.00 2.11 1.91 0.00 3.64 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.90 0.00 48 G 8.43 4.33 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 0.00 49 K 9.24 3.80 0.00 1.79 1.82 0.00 1.74 0.00 0.00 1.79 0.00 0.00 2.81 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.55 1.57 7.81 50 N 8.87 4.21 0.00 3.00 2.84 0.00 0.00 6.52 7.68 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 51 V 7.38 4.31 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 0.53 0.00 0.00 0.85 0.00 0.00 52 G 7.83 3.34 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 0.00 53 M 8.14 5.50 0.00 1.92 1.88 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 2.45 0.00 54 G 9.26 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 55 R 8.43 3.71 0.00 1.79 2.01 0.00 3.17 0.00 0.00 3.25 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.64 0.00 56 D 7.98 4.83 0.00 2.86 2.79 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 0.00 0.00 0.00 57 F 8.69 3.82 0.00 3.20 3.39 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.19 4.43 4.34 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 1.30 0.00 0.00 59 L 8.57 5.24 0.00 1.57 1.48 0.95 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 60 F 8.29 5.33 0.00 3.25 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 A 9.08 4.42 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 62 L 8.31 4.70 0.00 1.46 1.66 0.78 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 63 V 7.44 4.63 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 0.94 0.00 0.00 0.93 0.00 0.00 64 D 8.48 4.76 0.00 2.69 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 65 G 8.01 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 0.00 0.00 0.00 66 V 7.79 4.19 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 0.98 0.00 0.00 0.96 0.00 0.00 67 V 8.33 4.58 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 0.94 0.00 0.00 1.01 0.00 0.00 68 E 9.23 5.27 0.00 2.11 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 0.00 2.22 2.32 0.00 69 F 9.10 5.35 0.00 3.18 3.15 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 0.00 0.00 0.00 70 Q 9.60 4.69 0.00 2.23 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.68 0.00 0.00 0.00 0.00 0.00 2.29 2.32 0.00 71 D 8.62 5.32 0.00 2.77 2.57 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.70 4.52 0.00 1.97 1.82 0.00 3.29 0.00 0.00 2.79 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.79 0.00 73 G 8.12 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 74 R 9.21 4.03 0.00 1.82 2.04 0.00 3.37 0.00 0.00 3.23 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.62 0.00 75 L 8.66 4.15 0.00 1.79 1.82 0.89 -0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 76 G 7.61 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 77 R 8.18 5.03 0.00 1.33 1.84 0.00 2.85 0.00 0.00 2.67 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.45 0.00 78 Y 9.76 5.05 0.00 2.90 2.70 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 79 V 8.28 4.41 1.81 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 0.74 0.00 0.00 -0.14 0.00 0.00 80 H 9.48 5.35 0.00 3.02 3.12 0.00 5.61 0.00 0.00 0.00 0.00 6.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 V 8.69 4.85 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 0.88 0.00 0.00 0.92 0.00 0.00 82 R 8.84 4.44 0.00 1.93 2.05 0.00 2.84 0.00 0.00 3.23 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.59 0.00 83 P 0.00 4.91 0.00 2.20 2.16 0.00 3.37 0.00 0.00 4.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.92 0.00 84 L 8.02 4.63 0.00 1.71 1.64 0.96 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 85 A 8.24 4.24 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 * Residues marked with a * may have inaccurate shift predictions.