NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 21 E 4.2765 8.4293 121.4690 55.2588 30.8083 175.3304 22 P 4.2845 0.0000 0.0000 61.0233 32.1874 174.3163 23 P 4.3523 0.0000 0.0000 63.6322 30.6940 177.5353 24 T 4.3227 7.9233 122.6215 61.3913 67.7613 174.2031 25 A 4.3147 7.2382 119.1226 51.4189 21.7323 177.7714 26 C 4.5372 8.6221 118.0188 56.8071 41.2008 173.0152 27 R 4.2994 7.9737 119.7448 55.2353 31.3277 176.2632 28 E 3.9246 8.5413 117.6993 59.5762 30.2156 178.7668 29 K 4.1796 7.3679 118.3716 55.8608 31.8948 174.0180 30 Q 5.1740 6.9514 116.7780 57.3849 33.7616 175.1343 31 Y 4.5371 8.0837 112.7131 56.8023 41.4994 173.2897 32 L 4.3761 8.8140 127.7357 55.0074 43.4006 176.4817 33 I 3.9947 8.9922 124.7755 61.7914 41.7033 174.2417 34 N 4.1510 8.8781 123.6586 56.0348 35.0254 174.0268 35 S 3.7114 8.1639 106.8577 58.7845 61.2610 172.7894 36 Q 4.4990 7.4710 118.1463 55.0332 32.7650 172.6817 37 C 4.7529 8.7880 124.2647 56.8454 36.1965 173.4384 38 C 5.1220 8.5214 119.6561 55.2158 44.1735 172.7062 39 S 5.1586 8.6321 115.3846 57.5518 63.9899 174.8264 40 L 4.3068 8.3474 123.3670 54.6008 43.0070 175.5747 41 C 4.8838 8.9967 118.1045 55.9513 41.8371 173.9373 42 Q 2.5728 8.0066 119.7939 54.2975 29.9920 173.3030 43 P 4.1169 0.0000 0.0000 64.5108 31.3944 176.2896 44 G 4.5223 8.8388 112.0168 45.0918 0.0000 172.9571 45 Q 4.9837 7.9837 118.7550 53.7803 32.1817 175.0537 46 K 4.4132 9.0937 123.3061 55.2298 34.9228 175.8506 47 L 4.3331 8.3964 125.2325 55.5052 42.1204 176.5341 48 V 4.4400 8.3082 124.5030 63.8432 34.1623 176.0016 49 S 4.6810 7.6940 112.7856 56.9404 65.9347 174.5413 50 D 4.8913 8.9842 123.6692 54.8642 41.7140 174.0205 51 C 5.2042 8.6406 114.2140 54.1260 43.8257 174.0316 52 T 4.3720 8.2208 112.0927 60.0107 70.1597 174.3744 53 E 4.9136 8.7810 121.2908 59.3310 29.5566 178.3134 54 F 4.0629 8.5046 115.4720 60.4678 39.6681 175.9245 55 T 4.2170 7.9551 117.3321 60.9541 67.1469 174.0024 56 E 4.5455 8.6674 128.5376 56.4763 30.7179 176.4574 57 T 4.0977 8.3889 115.7389 62.3357 68.1018 173.4157 58 E 4.3287 8.6628 128.3197 56.3866 30.7160 175.4323 59 C 5.3394 8.2232 123.0779 56.0770 42.2317 172.5103 60 L 4.3857 8.3062 117.2332 53.9049 45.6972 172.8998 61 P 4.6705 0.0000 0.0000 63.3428 31.7985 176.8729 62 C 4.3052 8.9948 122.3246 57.0029 40.8806 175.4553 63 G 3.9306 8.3963 110.4129 44.8711 0.0000 172.1616 64 E 4.2686 8.5092 119.0731 56.7124 30.5326 177.9899 65 S 4.4261 8.8076 119.8743 58.3574 62.5515 168.8714 66 E 5.6477 7.4809 119.4203 54.5824 32.5049 174.4644 67 F 4.9093 7.9805 114.4877 57.7191 40.6135 173.2230 68 L 3.8947 7.7051 118.2539 53.4782 44.8856 175.9568 69 D 4.8320 8.1901 128.0899 52.9276 40.0485 176.2850 70 T 4.1153 7.1657 109.7895 62.1045 70.3902 172.6465 71 W 4.9344 9.6286 127.8058 57.1936 28.6434 174.8226 72 N 5.0384 8.3159 123.4535 50.6378 40.5360 175.1488 73 R 4.7036 7.8548 113.8351 55.4911 29.2392 174.9912 74 E 4.3187 8.4855 119.8478 56.8180 30.7957 176.3671 75 T 4.4143 8.2768 112.9234 62.2617 70.0164 174.4943 76 H 4.7790 7.7823 118.4536 53.8735 31.8867 173.8958 77 C 4.5036 8.5643 121.1001 56.9826 42.8929 172.2275 78 H 5.1153 8.3931 117.0847 54.6524 30.3747 175.0103 79 Q 4.7970 8.5319 119.5599 55.4577 30.0481 175.2781 80 H 4.5813 10.7001 118.9335 56.0518 29.2113 175.4124 81 K 3.9163 8.8394 124.1692 57.0709 32.6234 174.8863 82 Y 4.7306 8.4455 124.1884 56.2485 40.9583 177.4196 83 C 4.3381 7.8743 127.7225 54.7545 38.6556 173.4220 84 D 3.8340 7.2623 119.6216 53.6820 41.3869 175.3264 85 P 4.0990 0.0000 0.0000 65.5880 31.4971 178.2943 86 N 4.2428 8.7285 116.3262 55.6859 38.5630 175.7559 87 L 4.2937 7.8977 117.0088 54.9140 42.4147 177.4172 88 G 3.0248 8.0861 107.7731 45.6922 0.0000 173.0649 89 L 4.8316 7.1683 118.2112 52.6635 44.8972 175.6399 90 R 4.4536 8.0604 114.1356 54.8998 33.0027 175.0613 91 V 3.6618 8.2196 121.0162 63.4461 30.5603 175.3363 92 Q 4.1210 8.8055 130.1188 58.5817 29.8056 176.2097 93 Q 4.3750 7.7253 120.4715 54.3573 32.3669 174.5465 94 K 4.1640 8.8485 126.2756 56.8172 32.9514 175.8013 95 G 3.9356 8.1194 106.9342 44.9643 0.0000 173.5043 96 T 4.5391 8.1122 114.9563 60.2773 70.9938 174.9732 97 S 4.6652 8.5313 115.0604 59.0991 62.7971 174.9382 98 E 5.2914 8.2403 115.7931 57.1241 31.3265 174.8304 99 T 4.5153 7.6965 109.2461 60.8874 71.3486 173.0368 100 D 3.5447 7.9086 125.2531 53.5529 42.2108 175.6816 101 T 4.3279 8.0871 118.5380 63.6654 69.7660 173.8576 102 I 4.4386 8.5998 124.5273 59.9371 39.8587 174.8130 103 C 5.3106 8.6004 124.2661 56.0647 43.0587 172.6587 104 T 4.5895 7.9749 107.9090 60.8779 71.8538 172.5071 105 C 5.0676 8.6222 120.1650 56.5837 39.5254 173.1256 106 E 4.4517 8.2636 119.4330 55.1499 30.9344 176.3787 107 E 4.1814 8.2783 120.4211 58.2713 29.7812 177.4602 108 G 4.0852 9.5866 111.5782 44.5426 0.0000 172.1158 109 W 5.0203 8.7011 119.4859 54.9626 33.0688 173.8179 110 H 5.3914 8.2328 115.4302 54.2873 32.0139 173.2225 111 C 4.6565 9.6212 117.1937 57.5085 40.5757 174.3486 112 T 4.2892 8.4684 116.8960 63.7415 69.0523 174.6481 113 S 4.6883 7.3957 115.2346 56.2921 65.6761 174.0731 114 E 3.9286 8.7676 124.6106 58.8612 29.6204 177.9104 115 A 4.0687 7.8202 120.5795 52.7398 19.0232 175.0491 116 C 3.8077 7.4981 116.7449 57.0465 41.4324 171.4806 117 E 4.2673 8.1721 122.1927 56.3647 31.1894 175.8763 118 S 4.7970 7.6708 111.7007 56.7391 66.6559 173.7925 119 C 5.3876 8.5660 119.4036 56.3918 42.5736 173.4196 120 V 3.9448 9.4044 121.5039 62.3886 32.0051 178.1638 121 L 4.0569 8.6534 118.2456 55.0076 44.8529 172.0978 122 H 4.1069 8.4031 124.3817 55.3271 28.1970 175.1921 123 R 4.0163 8.5586 122.3695 55.8617 30.0144 176.5389 124 S 4.6023 8.2184 117.2582 57.1295 64.6960 170.7904 125 C 4.5746 8.4106 125.3481 55.7493 45.4134 174.2858 *132 K 4.7515 8.8043 114.9760 56.0512 35.0052 177.2910 133 Q 4.2077 8.0945 123.2808 56.0217 29.6375 174.5297 134 I 3.9376 8.4986 126.9224 61.7922 38.6280 175.3549 135 A 4.7492 8.5663 129.8983 50.7105 20.1021 177.5166 136 T 4.5067 8.2246 106.0033 61.7021 69.8125 175.4567 137 G 4.8982 8.7695 117.8702 47.0945 0.0000 176.4781 138 V 4.1986 7.6600 109.7839 61.3011 31.9858 176.1184 139 S 4.4058 7.2473 112.9603 57.6478 65.0009 171.4788 140 D 4.7930 8.3795 118.4816 53.7549 45.5538 175.4563 141 T 5.4269 8.1437 110.6020 59.2099 69.0383 174.5731 142 I 4.0026 8.0359 128.6699 62.4496 38.7838 175.2778 143 C 5.1971 7.6918 119.7249 56.4144 44.2907 172.9540 144 E 4.9239 8.2152 116.6546 55.4128 30.7755 174.8732 145 P 4.3982 0.0000 0.0000 63.0744 31.3295 176.5230 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 21 E 8.43 4.28 0.00 1.94 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 2.18 2.30 0.00 22 P 0.00 4.28 0.00 2.29 2.02 0.00 3.82 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.04 0.00 23 P 0.00 4.35 0.00 2.04 2.07 0.00 3.65 0.00 0.00 3.57 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 24 T 7.92 4.32 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 1.35 0.00 0.00 25 A 7.24 4.31 1.18 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 0.00 0.00 26 C 8.62 4.54 0.00 2.97 3.07 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 0.00 0.00 0.00 0.00 27 R 7.97 4.30 0.00 1.74 1.83 0.00 3.31 0.00 0.00 3.16 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.68 0.00 28 E 8.54 3.92 0.00 1.79 1.86 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 2.25 2.24 0.00 29 K 7.37 4.18 0.00 0.98 1.08 0.00 0.61 0.00 0.00 0.90 0.00 0.00 2.69 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.03 1.08 7.81 30 Q 6.95 5.17 0.00 2.08 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.64 6.89 0.00 0.00 0.00 0.00 0.00 2.43 2.31 0.00 31 Y 8.08 4.54 0.00 3.06 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 32 L 8.81 4.38 0.00 1.63 1.58 0.89 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 33 I 8.99 3.99 1.29 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 1.22 0.70 0.84 0.00 0.00 34 N 8.88 4.15 0.00 2.82 2.92 0.00 0.00 7.36 7.57 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 35 S 8.16 3.71 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 36 Q 7.47 4.50 0.00 2.28 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.34 6.99 0.00 0.00 0.00 0.00 0.00 2.22 2.33 0.00 37 C 8.79 4.75 0.00 2.85 2.96 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 0.00 0.00 0.00 38 C 8.52 5.12 0.00 2.51 3.16 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 0.00 0.00 0.00 0.00 39 S 8.63 5.16 0.00 3.88 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 40 L 8.35 4.31 0.00 1.85 1.92 1.05 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 41 C 9.00 4.88 0.00 2.86 2.93 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 42 Q 8.01 2.57 0.00 1.07 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.99 0.00 0.00 0.00 0.00 0.00 2.29 2.00 0.00 43 P 0.00 4.12 0.00 1.76 2.03 0.00 2.74 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 1.82 1.85 0.00 44 G 8.84 4.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.98 4.98 0.00 1.73 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.78 6.66 0.00 0.00 0.00 0.00 0.00 2.20 2.14 0.00 46 K 9.09 4.41 0.00 1.83 1.81 0.00 1.29 0.00 0.00 1.54 0.00 0.00 2.75 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.35 1.34 7.81 47 L 8.40 4.33 0.00 1.59 1.67 0.88 0.83 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 48 V 8.31 4.44 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 0.85 0.00 0.00 0.97 0.00 0.00 49 S 7.69 4.68 0.00 3.92 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 50 D 8.98 4.89 0.00 2.61 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 51 C 8.64 5.20 0.00 3.21 3.16 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 0.00 0.00 0.00 0.00 52 T 8.22 4.37 4.30 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 1.25 0.00 0.00 53 E 8.78 4.91 0.00 2.01 2.31 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 1.97 2.34 0.00 54 F 8.50 4.06 0.00 3.02 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 55 T 7.96 4.22 4.30 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 1.28 0.00 0.00 56 E 8.67 4.55 0.00 1.94 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 2.35 2.36 0.00 57 T 8.39 4.10 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 1.44 0.00 0.00 58 E 8.66 4.33 0.00 2.00 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 2.34 2.45 0.00 59 C 8.22 5.34 0.00 2.79 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 60 L 8.31 4.39 0.00 1.66 1.41 0.90 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 61 P 0.00 4.67 0.00 1.95 1.97 0.00 3.71 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.10 0.00 62 C 8.99 4.31 0.00 2.81 2.99 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 63 G 8.40 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 64 E 8.51 4.27 0.00 1.99 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 0.00 2.37 2.28 0.00 65 S 8.81 4.43 0.00 4.14 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 66 E 7.48 5.65 0.00 1.84 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 2.24 2.27 0.00 67 F 7.98 4.91 0.00 3.25 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 68 L 7.71 3.89 0.00 1.40 1.38 0.88 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 69 D 8.19 4.83 0.00 2.91 3.16 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 0.00 0.00 0.00 0.00 70 T 7.17 4.12 4.29 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 1.19 0.00 0.00 71 W 9.63 4.93 0.00 3.19 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 72 N 8.32 5.04 0.00 2.68 2.97 0.00 0.00 5.65 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 73 R 7.85 4.70 0.00 1.37 1.39 0.00 2.86 0.00 0.00 3.15 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.53 0.00 74 E 8.49 4.32 0.00 1.96 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 0.00 2.55 2.32 0.00 75 T 8.28 4.41 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 1.19 0.00 0.00 76 H 7.78 4.78 0.00 3.05 3.19 0.00 5.89 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 C 8.56 4.50 0.00 3.02 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 78 H 8.39 5.12 0.00 2.27 3.09 0.00 5.60 0.00 0.00 0.00 0.00 6.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 Q 8.53 4.80 0.00 2.10 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.66 6.87 0.00 0.00 0.00 0.00 0.00 2.33 2.44 0.00 80 H 10.70 4.58 0.00 3.17 3.28 0.00 5.69 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 81 K 8.84 3.92 0.00 2.07 1.70 0.00 1.76 0.00 0.00 1.61 0.00 0.00 2.95 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.47 1.45 7.81 82 Y 8.45 4.73 0.00 2.86 2.83 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 83 C 7.87 4.34 0.00 2.72 2.90 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 84 D 7.26 3.83 0.00 2.81 2.58 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 85 P 0.00 4.10 0.00 2.13 2.14 0.00 3.65 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.93 0.00 86 N 8.73 4.24 0.00 2.81 2.95 0.00 0.00 6.98 7.89 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 87 L 7.90 4.29 0.00 1.79 1.68 0.94 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 88 G 8.09 3.02 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 0.00 0.00 0.00 0.00 89 L 7.17 4.83 0.00 1.40 1.44 0.83 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 90 R 8.06 4.45 0.00 1.74 1.95 0.00 2.88 0.00 0.00 3.18 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.49 0.00 91 V 8.22 3.66 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 0.69 0.00 0.00 0.84 0.00 0.00 92 Q 8.81 4.12 0.00 2.07 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.59 6.37 0.00 0.00 0.00 0.00 0.00 2.34 2.42 0.00 93 Q 7.73 4.38 0.00 2.07 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.53 6.56 0.00 0.00 0.00 0.00 0.00 2.25 2.34 0.00 94 K 8.85 4.16 0.00 1.61 1.71 0.00 1.71 0.00 0.00 1.67 0.00 0.00 2.70 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.40 1.43 7.81 95 G 8.12 3.94 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 0.00 0.00 0.00 96 T 8.11 4.54 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 1.18 0.00 0.00 97 S 8.53 4.67 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 98 E 8.24 5.29 0.00 1.99 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 2.21 2.26 0.00 99 T 7.70 4.52 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 1.20 0.00 0.00 100 D 7.91 3.54 0.00 1.78 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 0.00 0.00 0.00 0.00 101 T 8.09 4.33 4.16 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 0.00 0.00 0.00 1.21 0.00 0.00 102 I 8.60 4.44 1.81 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 1.37 0.87 0.00 0.00 103 C 8.60 5.31 0.00 2.78 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 0.00 104 T 7.97 4.59 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 1.19 0.00 0.00 105 C 8.62 5.07 0.00 2.98 3.16 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 0.00 0.00 0.00 0.00 106 E 8.26 4.45 0.00 1.16 1.56 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 0.00 1.98 1.78 0.00 107 E 8.28 4.18 0.00 2.17 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 2.35 2.35 0.00 108 G 9.59 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 0.00 109 W 8.70 5.02 0.00 3.23 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 0.00 110 H 8.23 5.39 0.00 3.49 3.55 0.00 5.65 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 0.00 111 C 9.62 4.66 0.00 2.94 3.17 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 0.00 112 T 8.47 4.29 4.28 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 1.25 0.00 0.00 113 S 7.40 4.69 0.00 3.81 3.65 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 0.00 114 E 8.77 3.93 0.00 1.98 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 2.30 2.31 0.00 115 A 7.82 4.07 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 0.00 116 C 7.50 3.81 0.00 3.08 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 0.00 117 E 8.17 4.27 0.00 1.97 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 2.23 2.29 0.00 118 S 7.67 4.80 0.00 3.91 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 0.00 119 C 8.57 5.39 0.00 3.09 3.26 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 0.00 120 V 9.40 3.94 1.74 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 0.69 0.00 0.00 1.05 0.00 0.00 121 L 8.65 4.06 0.00 1.01 1.16 0.72 -0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 122 H 8.40 4.11 0.00 3.12 3.24 0.00 5.72 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 R 8.56 4.02 0.00 1.91 1.95 0.00 3.00 0.00 0.00 3.13 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.60 0.00 124 S 8.22 4.60 0.00 3.83 3.80 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 0.00 125 C 8.41 4.57 0.00 3.04 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 *132 K 8.80 4.75 0.00 1.80 2.10 0.00 1.44 0.00 0.00 2.28 0.00 0.00 2.71 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.30 1.23 7.81 133 Q 8.09 4.21 0.00 2.15 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 7.03 0.00 0.00 0.00 0.00 0.00 2.40 2.34 0.00 134 I 8.50 3.94 1.85 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 1.23 0.89 0.89 0.00 0.00 135 A 8.57 4.75 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 0.00 0.00 0.00 0.00 0.00 0.00 136 T 8.22 4.51 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 1.21 0.00 0.00 137 G 8.77 4.90 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 0.00 138 V 7.66 4.20 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 0.82 0.00 0.00 1.01 0.00 0.00 139 S 7.25 4.41 0.00 3.96 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 0.00 140 D 8.38 4.79 0.00 2.62 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 0.00 141 T 8.14 5.43 4.21 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 1.17 0.00 0.00 142 I 8.04 4.00 1.98 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 1.33 0.91 0.90 0.00 0.00 143 C 7.69 5.20 0.00 2.80 2.95 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 0.00 144 E 8.22 4.92 0.00 2.02 1.87 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 2.01 2.08 0.00 145 P 0.00 4.40 0.00 2.06 2.01 0.00 3.70 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 2.02 2.08 0.00 * Residues marked with a * may have inaccurate shift predictions.