NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 17 V 4.2327 8.1545 119.8240 61.0070 33.5300 175.7029 18 Q 4.0920 8.7108 126.0177 54.4404 29.5009 171.0669 19 K 5.1016 9.4131 122.7262 54.3080 35.6254 175.0892 20 L 4.7352 9.1458 126.3365 53.1492 43.4906 176.6220 21 S 4.9963 9.0869 118.0815 57.3553 63.1779 173.9465 22 S 4.5586 8.5400 119.0456 59.2384 63.7003 175.4690 23 L 4.2182 8.2087 121.6497 57.2593 41.6370 177.5565 24 V 4.5091 7.5230 115.4221 58.9285 34.1123 174.7997 25 L 2.8513 8.5415 124.0586 54.5154 42.4311 175.1792 26 P 4.1566 0.0000 0.0000 62.0633 31.9271 177.1534 27 A 3.9556 8.5129 124.1607 55.6930 18.4433 178.9122 28 E 4.2350 8.0342 114.0459 58.4685 30.3871 177.3536 29 V 5.1296 7.5378 111.4210 59.4132 35.9513 174.4138 30 I 4.7055 8.8174 115.4256 59.3860 41.6780 173.7101 31 I 5.1420 8.2425 122.1701 59.8253 39.1436 175.2183 32 A 4.6038 8.7862 126.9132 50.5482 23.2311 174.1496 33 Q 4.3965 8.5650 119.1540 56.4290 29.3930 176.6038 34 S 4.7414 9.3992 123.3826 58.5813 62.5537 174.6346 35 S 4.4135 9.7696 122.1977 59.9825 62.0297 174.5219 36 I 4.1593 7.5663 115.8895 59.4421 38.4069 175.2171 37 P 4.4105 0.0000 0.0000 65.6883 30.8751 177.7045 38 G 3.5417 7.1512 107.3854 47.7667 0.0000 174.5090 39 E 4.5252 7.6729 116.7939 53.2874 31.4260 177.3947 40 G 3.9071 7.7922 104.7535 48.8109 0.0000 173.9782 41 L 5.2052 7.9233 121.8778 53.5424 44.2659 175.4859 42 G 4.6463 9.1898 107.0313 46.5862 0.0000 171.4120 43 I 5.1907 8.3229 120.1304 59.7265 39.3674 175.1630 44 F 5.3299 9.2821 125.6539 55.1672 42.4945 175.0268 45 S 4.5157 9.0091 118.1693 58.9063 63.3951 174.6578 46 K 4.2300 9.3574 125.3796 58.0163 33.2273 175.8054 47 T 4.7318 7.4679 108.0206 59.1645 71.8195 173.7835 48 W 4.3691 8.8590 121.2091 57.0850 29.9660 176.1035 49 I 4.5780 9.0116 125.6242 59.1503 39.3709 175.1449 50 K 4.5223 8.8208 128.7751 55.7735 33.4424 176.0732 51 A 4.3939 8.1173 128.5958 53.4162 18.7559 177.1531 52 G 4.0919 9.1664 110.2641 45.4787 0.0000 174.5282 53 T 4.1969 7.6630 116.2728 64.5225 69.6395 173.0365 54 E 5.4545 9.2704 125.4815 54.7264 32.6958 174.9035 55 M 6.0580 10.2386 120.9089 52.0437 35.0255 176.4192 56 G 2.9746 8.5053 107.7845 44.0739 0.0000 169.6543 57 P 3.3556 0.0000 0.0000 62.0899 32.1473 176.1389 58 F 3.9026 8.7481 125.8625 58.6685 39.4436 174.6251 59 T 4.4677 7.7764 122.7462 61.8059 70.9854 174.6348 60 G 3.8897 7.8018 110.3234 47.4208 0.0000 172.4633 61 R 4.5028 8.0551 120.4859 55.8677 31.1055 172.0295 62 V 4.1799 8.2685 123.6743 62.1203 32.3510 175.0331 63 I 4.5852 9.0139 129.5676 59.1882 39.3006 175.3452 64 A 4.4367 8.7206 129.3801 51.2123 19.3004 175.3112 65 P 4.5480 0.0000 0.0000 62.0635 31.6705 175.4577 *76 L 3.9747 8.1885 125.0234 54.9159 43.5658 174.9368 77 M 5.8169 7.7215 123.7712 52.6159 35.4479 174.0470 78 W 5.2376 8.6242 124.0906 54.6264 33.4425 174.4819 79 E 3.7154 9.1881 123.5467 56.2894 29.7668 176.2600 80 V 4.0932 8.1346 124.4940 61.2890 33.2163 174.5657 81 F 5.1334 9.1313 127.2659 55.9996 40.7684 175.8382 82 N 4.6217 9.5667 122.8028 53.2014 39.3036 176.8911 83 E 3.9977 8.7213 115.6344 59.2305 29.6800 177.1506 84 D 4.5087 7.9666 115.5809 53.8875 39.7057 177.0963 85 G 3.8117 8.0406 109.3320 45.4276 0.0000 174.0942 86 T 4.2574 7.8734 110.2446 60.7510 69.8113 174.1086 87 V 3.7416 8.1069 122.9666 62.7648 32.0443 175.6822 88 R 4.2211 8.4068 128.9617 58.9718 30.8929 175.0859 89 Y 4.6950 6.4658 114.1295 56.7208 41.3309 172.3771 90 F 5.3067 9.4969 117.7026 56.0169 42.4160 175.1900 91 I 4.9084 9.0485 124.2767 60.2591 38.7183 174.1687 92 D 5.3134 9.2355 128.1038 52.7996 43.0635 174.5235 93 A 4.6213 8.5605 131.2797 50.5468 22.0928 175.4958 *100 S 4.1608 8.4834 107.3815 57.6726 63.4976 175.7926 101 W 4.5949 8.8037 122.6110 60.2805 27.6862 178.3175 102 M 3.4760 6.8681 118.8945 57.8093 31.0418 177.9747 103 T 4.2583 7.5075 108.4614 63.7177 69.3317 175.0213 104 Y 4.5733 8.4230 119.5198 57.7600 38.1821 174.7230 105 I 4.3008 7.4107 121.5392 61.2102 37.6398 176.4474 106 K 4.4575 8.7306 126.7965 55.9337 33.9543 175.8755 107 C 5.0495 8.5294 119.3279 59.2152 28.9840 173.8158 108 A 4.2205 8.6883 126.2353 52.2553 18.0107 178.1620 109 R 3.8292 9.6986 121.8698 57.9057 30.3111 176.0820 110 N 4.3337 7.1768 113.3203 51.6344 39.2395 174.9429 111 E 4.0384 8.4540 119.3656 59.2493 30.0141 178.9594 112 Q 4.0037 7.7199 117.3079 58.3843 28.7277 176.9856 113 E 4.3308 7.7138 111.9339 56.1357 30.3962 176.0068 114 Q 4.2506 7.4921 122.3782 56.3802 29.5263 174.9233 115 N 5.1152 9.1747 120.4850 52.1138 39.5686 173.6586 116 L 5.3940 7.8856 119.8042 52.8806 45.7381 174.9703 117 E 5.0537 9.0381 120.6687 54.1358 32.6817 175.3642 118 V 3.8779 7.9902 123.1978 63.0553 32.0388 175.6331 119 V 4.5781 8.9829 120.9201 59.5332 35.6388 174.1065 120 Q 5.0255 8.7207 124.5213 54.4638 31.0902 174.6939 121 I 4.3955 9.0701 127.9013 60.1644 40.1503 177.0581 122 G 3.9549 8.7378 117.8119 47.1608 0.0000 173.6026 123 T 4.5056 9.1141 111.8122 60.8743 69.4302 173.9033 124 S 4.7820 8.5601 117.7988 57.4339 64.9652 172.7009 125 I 4.9371 8.0817 122.6055 60.0577 39.0025 174.7167 126 F 5.0992 9.2940 124.7395 55.8684 43.3803 173.4366 127 Y 5.3649 8.9528 118.4683 56.4163 40.6920 174.9277 128 K 5.1648 9.0446 123.6897 54.3399 36.0866 175.0970 129 A 4.6811 9.2805 130.4081 51.9933 19.2315 177.4558 130 I 4.4277 8.3942 116.6671 60.2096 38.5452 174.7433 131 E 4.8091 7.4768 120.1360 56.3878 32.4908 174.3115 132 M 4.6321 8.8672 119.9688 55.4333 32.8732 176.2213 133 I 4.5400 9.1071 125.7997 58.8404 39.2488 173.9976 134 P 2.9700 0.0000 0.0000 60.7864 32.3013 174.3883 135 P 4.1672 0.0000 0.0000 63.2688 32.0401 175.8416 136 D 4.5431 8.8081 120.5906 55.6543 38.8292 173.4252 137 Q 4.7654 7.8656 119.7522 53.9504 31.9415 174.2431 138 E 3.5130 8.5513 127.0620 55.9149 31.0142 175.3072 139 L 4.3978 8.6718 127.7110 54.3211 42.6717 176.3767 140 L 5.0697 9.7343 124.3554 52.8880 45.3919 176.0687 141 V 4.7145 8.2845 123.4573 60.2736 34.4963 174.9880 142 W 5.1656 8.1297 130.4819 56.9907 34.4872 172.7452 143 Y 4.1775 7.2287 117.3672 58.2668 37.8712 177.1847 144 G 3.9271 8.5504 111.6988 45.0413 0.0000 173.5834 145 N 4.5523 8.4880 115.4070 53.3107 38.7980 175.4883 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 17 V 8.15 4.23 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 0.87 0.00 0.00 0.93 0.00 0.00 18 Q 8.71 4.09 0.00 1.82 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.55 6.81 0.00 0.00 0.00 0.00 0.00 2.36 2.03 0.00 19 K 9.41 5.10 0.00 1.63 1.82 0.00 1.71 0.00 0.00 1.72 0.00 0.00 2.86 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.35 1.45 7.81 20 L 9.15 4.74 0.00 1.86 1.77 1.02 0.70 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 21 S 9.09 5.00 0.00 3.93 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 S 8.54 4.56 0.00 3.70 3.72 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 23 L 8.21 4.22 0.00 1.74 1.83 0.95 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 24 V 7.52 4.51 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 0.74 0.00 0.00 0.91 0.00 0.00 25 L 8.54 2.85 0.00 1.46 1.47 0.75 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 26 P 0.00 4.16 0.00 1.86 1.75 0.00 2.20 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 1.65 0.00 27 A 8.51 3.96 1.24 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 0.00 0.00 28 E 8.03 4.24 0.00 1.93 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 2.43 2.42 0.00 29 V 7.54 5.13 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 0.68 0.00 0.00 0.49 0.00 0.00 30 I 8.82 4.71 1.85 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 1.43 0.87 0.00 0.00 31 I 8.24 5.14 1.77 0.00 0.00 0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.57 0.93 0.00 0.00 32 A 8.79 4.60 0.92 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 0.00 0.00 0.00 0.00 0.00 33 Q 8.56 4.40 0.00 2.07 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.21 6.86 0.00 0.00 0.00 0.00 0.00 2.37 2.48 0.00 34 S 9.40 4.74 0.00 4.17 4.15 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 35 S 9.77 4.41 0.00 4.07 4.19 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 36 I 7.57 4.16 1.87 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 1.32 0.82 0.90 0.00 0.00 37 P 0.00 4.41 0.00 2.06 2.17 0.00 3.68 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 2.02 2.09 0.00 38 G 7.15 3.54 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 0.00 0.00 0.00 39 E 7.67 4.53 0.00 1.99 1.75 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 2.16 1.86 0.00 40 G 7.79 3.91 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 0.00 0.00 0.00 41 L 7.92 5.21 0.00 1.86 1.85 1.11 0.93 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 42 G 9.19 4.65 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 I 8.32 5.19 2.05 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.46 1.12 0.00 0.00 44 F 9.28 5.33 0.00 2.86 2.92 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 0.00 0.00 0.00 45 S 9.01 4.52 0.00 4.09 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 46 K 9.36 4.23 0.00 1.72 1.83 0.00 1.72 0.00 0.00 1.83 0.00 0.00 2.93 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.36 1.35 7.81 47 T 7.47 4.73 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 1.23 0.00 0.00 48 W 8.86 4.37 0.00 3.22 3.21 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 0.00 49 I 9.01 4.58 1.96 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.73 1.01 0.00 0.00 50 K 8.82 4.52 0.00 1.89 1.72 0.00 1.75 0.00 0.00 1.84 0.00 0.00 2.86 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.54 1.47 7.81 51 A 8.12 4.39 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 52 G 9.17 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 T 7.66 4.20 4.35 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 1.34 0.00 0.00 54 E 9.27 5.45 0.00 1.93 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 2.24 2.44 0.00 55 M 10.24 6.06 0.00 2.32 2.30 0.00 0.00 0.00 0.00 0.00 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.67 0.00 56 G 8.51 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 0.00 0.00 0.00 57 P 0.00 3.36 0.00 1.84 1.68 0.00 3.70 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.91 0.00 58 F 8.75 3.90 0.00 2.55 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 59 T 7.78 4.47 4.02 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 1.10 0.00 0.00 60 G 7.80 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 0.00 0.00 0.00 61 R 8.06 4.50 0.00 1.49 1.81 0.00 3.27 0.00 0.00 3.09 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.44 0.00 62 V 8.27 4.18 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 0.08 0.00 0.00 0.55 0.00 0.00 63 I 9.01 4.59 2.02 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 1.36 0.74 0.93 0.00 0.00 64 A 8.72 4.44 1.22 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 65 P 0.00 4.55 0.00 2.28 2.16 0.00 3.89 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.98 0.00 *76 L 8.19 3.97 0.00 1.89 1.86 0.68 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 77 M 7.72 5.82 0.00 1.81 1.71 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.54 0.00 78 W 8.62 5.24 0.00 3.27 2.94 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 0.00 0.00 0.00 79 E 9.19 3.72 0.00 1.16 1.12 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 1.90 1.60 0.00 80 V 8.13 4.09 1.07 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 0.70 0.00 0.00 0.91 0.00 0.00 81 F 9.13 5.13 0.00 2.98 2.81 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 82 N 9.57 4.62 0.00 2.99 2.75 0.00 0.00 7.12 8.32 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 83 E 8.72 4.00 0.00 1.98 1.88 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 2.23 1.88 0.00 84 D 7.97 4.51 0.00 2.75 2.80 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 0.00 0.00 0.00 85 G 8.04 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 0.00 0.00 0.00 86 T 7.87 4.26 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 1.22 0.00 0.00 87 V 8.11 3.74 1.90 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 0.76 0.00 0.00 88 R 8.41 4.22 0.00 1.87 1.73 0.00 3.10 0.00 0.00 3.37 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.61 0.00 89 Y 6.47 4.69 0.00 3.26 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 90 F 9.50 5.31 0.00 3.10 2.98 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 91 I 9.05 4.91 2.19 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.16 1.22 0.00 0.00 92 D 9.24 5.31 0.00 2.80 2.53 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 0.00 0.00 0.00 0.00 93 A 8.56 4.62 1.04 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 0.00 0.00 *100 S 8.48 4.16 0.00 3.59 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 0.00 101 W 8.80 4.59 0.00 3.65 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 0.00 102 M 6.87 3.48 0.00 1.63 1.57 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.91 0.00 103 T 7.51 4.26 4.13 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 1.01 0.00 0.00 104 Y 8.42 4.57 0.00 3.29 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 0.00 105 I 7.41 4.30 2.33 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.75 1.10 0.00 0.00 106 K 8.73 4.46 0.00 1.70 1.75 0.00 1.72 0.00 0.00 1.89 0.00 0.00 3.11 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.59 1.46 7.81 107 C 8.53 5.05 0.00 2.92 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 A 8.69 4.22 1.24 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 0.00 0.00 109 R 9.70 3.83 0.00 1.76 1.87 0.00 3.15 0.00 0.00 3.24 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.48 0.00 110 N 7.18 4.33 0.00 2.79 2.73 0.00 0.00 5.91 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 0.00 111 E 8.45 4.04 0.00 2.04 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 2.40 2.39 0.00 112 Q 7.72 4.00 0.00 2.39 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.56 0.00 0.00 0.00 0.00 0.00 2.39 2.34 0.00 113 E 7.71 4.33 0.00 2.08 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 2.37 2.17 0.00 114 Q 7.49 4.25 0.00 2.20 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.74 0.00 0.00 0.00 0.00 0.00 2.42 2.48 0.00 115 N 9.17 5.12 0.00 2.85 2.97 0.00 0.00 6.36 6.28 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 0.00 116 L 7.89 5.39 0.00 1.42 1.42 1.08 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 117 E 9.04 5.05 0.00 1.89 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 2.32 2.17 0.00 118 V 7.99 3.88 1.55 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 0.38 0.00 0.00 -0.97 0.00 0.00 119 V 8.98 4.58 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 0.63 0.00 0.00 1.03 0.00 0.00 120 Q 8.72 5.03 0.00 2.13 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.67 6.79 0.00 0.00 0.00 0.00 0.00 2.44 2.41 0.00 121 I 9.07 4.40 1.90 0.00 0.00 0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.51 0.82 0.00 0.00 122 G 8.74 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 0.00 123 T 9.11 4.51 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 1.24 0.00 0.00 124 S 8.56 4.78 0.00 4.04 4.14 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 0.00 125 I 8.08 4.94 1.95 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.25 0.66 0.00 0.00 126 F 9.29 5.10 0.00 2.88 2.94 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 0.00 0.00 0.00 127 Y 8.95 5.36 0.00 2.78 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 0.00 128 K 9.04 5.16 0.00 1.82 1.61 0.00 1.63 0.00 0.00 1.66 0.00 0.00 2.84 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.35 1.69 7.81 129 A 9.28 4.68 1.32 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 0.00 0.00 130 I 8.39 4.43 1.89 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.72 0.98 0.00 0.00 131 E 7.48 4.81 0.00 2.06 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 2.20 2.28 0.00 132 M 8.87 4.63 0.00 2.18 2.24 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.57 0.00 133 I 9.11 4.54 1.92 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.92 0.88 0.00 0.00 134 P 0.00 2.97 0.00 1.49 1.28 0.00 3.77 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.86 0.00 135 P 0.00 4.17 0.00 1.76 2.11 0.00 2.87 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.67 0.00 136 D 8.81 4.54 0.00 2.75 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 0.00 137 Q 7.87 4.77 0.00 2.06 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 7.00 0.00 0.00 0.00 0.00 0.00 2.21 2.24 0.00 138 E 8.55 3.51 0.00 1.23 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 2.07 1.80 0.00 139 L 8.67 4.40 0.00 1.68 1.68 0.98 1.18 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 0.00 140 L 9.73 5.07 0.00 1.59 1.56 0.98 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 141 V 8.28 4.71 1.51 0.00 0.00 0.00 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 -0.42 0.00 0.00 142 W 8.13 5.17 0.00 3.35 3.29 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 0.00 143 Y 7.23 4.18 0.00 2.40 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 0.00 144 G 8.55 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 0.00 145 N 8.49 4.55 0.00 2.74 2.75 0.00 0.00 6.71 7.56 0.00 0.00 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.