NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 12 F 5.4455 8.1300 115.1669 56.5055 39.8604 176.7591 13 V 3.4582 8.0772 122.8324 66.8448 31.1025 174.8989 14 A 3.9883 8.7114 120.2040 55.3052 19.0824 178.3932 15 E 4.0992 8.2671 116.4617 59.7394 29.5918 179.5500 16 L 4.0386 8.1635 118.8111 57.9297 41.6726 179.2394 17 N 4.4290 8.3015 116.4309 56.4201 38.2349 176.8443 18 N 4.4638 7.8519 116.9186 55.8128 39.2455 175.8626 19 L 4.4252 8.0935 119.4027 53.5248 42.0709 176.3203 20 L 4.3093 7.1600 120.4151 56.5179 41.9674 177.5901 21 G 4.0040 9.1209 112.2463 45.0795 0.0000 173.6661 22 R 4.5295 7.9554 118.8842 54.7769 32.5180 175.2328 23 E 4.7112 8.5498 122.0909 56.3048 30.5612 175.9451 24 V 4.7322 9.1288 119.1255 59.9068 37.2728 173.5948 25 Q 5.1109 8.8294 122.5911 54.3789 31.8354 174.1467 26 V 4.7863 9.2691 126.3309 61.1307 34.4742 174.0295 27 V 4.4993 8.6636 128.5439 61.5368 33.2438 174.7882 28 L 5.3143 8.7999 128.3306 53.2586 43.8126 177.8442 29 S 4.4168 9.0775 115.7708 60.0373 63.3124 174.5976 30 N 4.6694 8.1900 117.9688 52.8882 37.3720 175.5395 31 G 4.0270 8.0454 108.3513 45.5573 0.0000 174.2444 32 E 4.2743 8.4889 119.0754 56.3396 31.3505 176.3681 33 V 4.7628 7.8567 120.3141 61.8122 35.0132 173.1713 34 Y 4.9694 9.0693 125.7696 56.0112 40.7279 174.6212 35 K 4.9520 8.7902 124.7624 54.4812 35.5960 175.4582 36 G 4.3562 8.2202 112.2743 46.1930 0.0000 171.6064 37 V 4.4192 7.7253 120.1922 62.1246 32.9306 175.3505 38 L 4.2503 9.0045 130.6139 55.8718 42.0327 176.3242 39 H 4.5735 9.1814 127.7765 58.1421 31.0866 175.1627 40 A 4.6774 7.5665 116.9328 50.8902 22.4716 175.5218 41 V 4.9756 8.3412 120.1202 61.3679 34.8568 174.2729 42 D 5.0169 8.4130 126.7962 51.1019 41.9054 176.7710 43 N 4.2241 8.5976 115.7310 56.2337 38.4301 176.2714 44 Q 3.9352 8.0083 114.3729 55.4085 29.0276 175.6114 45 L 3.7669 8.0060 117.1915 55.6911 39.4805 174.5239 46 N 4.9075 8.5988 115.8863 53.6652 40.0401 174.3918 47 I 4.9546 8.6023 120.8837 59.8001 42.0284 174.2543 48 V 4.7090 9.1061 126.4580 61.1149 33.9134 174.3221 49 L 5.2599 8.6438 127.1738 52.9465 44.9685 175.0590 50 A 4.9584 8.7011 123.3405 50.7236 21.6718 176.2592 51 N 4.1691 8.1360 117.9670 54.4246 36.7943 173.7182 52 A 5.2119 8.0193 119.7999 50.7143 22.7314 177.5305 53 S 5.9146 9.3879 114.9541 56.0115 68.0100 173.3492 54 N 5.4118 8.1628 118.9170 50.1413 39.7836 175.6462 55 K 3.8598 8.4427 117.0614 59.5106 32.0818 178.3549 56 A 4.0346 7.7561 119.2489 53.0873 18.3381 178.0633 57 G 3.9406 8.0261 104.6789 44.6898 0.0000 173.8092 58 E 4.2317 7.8394 120.1263 55.8282 30.6945 175.8661 59 K 5.2008 8.0784 121.9817 55.3316 35.9222 175.2895 60 F 4.8571 9.1441 119.4083 55.8216 43.2114 175.3421 61 N 4.4250 9.1344 120.8715 56.4249 39.9893 174.8818 62 R 4.8833 7.8239 115.1780 54.2519 34.4572 175.0770 63 V 3.9211 8.1862 122.3444 61.0633 34.4493 174.2655 64 F 4.8376 8.7165 127.5427 56.4632 39.6491 175.3016 65 I 4.4397 8.6056 131.0628 60.8591 39.4471 177.1920 *67 Y 4.7661 8.5187 120.5198 58.1144 39.7660 177.6583 68 R 3.6718 7.1487 117.8833 58.2455 30.3161 176.5797 69 Y 4.3852 7.7677 113.8423 57.5726 38.6133 174.5222 70 I 4.3684 7.4615 122.3048 61.0103 37.3828 175.9202 71 V 4.1087 8.8422 128.5092 65.2829 31.9524 175.5035 72 H 4.9481 7.7709 113.2547 54.8045 31.6034 171.8775 73 I 4.9687 8.3175 119.7655 59.7168 39.7176 174.8214 74 D 5.0580 9.3823 125.7373 52.5323 44.9688 174.7406 75 S 5.0349 8.4836 115.1459 57.0017 65.0408 173.7220 76 T 4.3592 8.7529 115.4108 61.6335 69.6226 174.4851 77 E 4.3434 7.4932 121.0889 55.7725 30.5756 176.5618 78 R 4.3172 8.1016 121.8190 54.5797 29.4182 173.8546 79 R 4.3970 7.9205 122.1558 54.3694 31.4603 175.9700 80 I 3.9967 8.2001 126.0916 60.9884 38.2861 174.4425 81 D 5.0272 8.5154 122.7206 52.4993 44.7705 176.0556 *83 R 3.8018 8.3988 116.9541 56.1144 32.0228 177.8720 84 E 3.9836 8.3392 117.5075 59.1255 29.5523 178.3661 85 F 3.3072 8.0979 120.1808 61.0430 39.3509 176.8879 86 A 3.9083 8.0677 119.7960 55.0141 17.9104 179.6326 87 K 3.8631 7.7541 116.3086 59.6793 32.0619 179.4072 88 Q 4.0612 8.0896 116.9085 58.4644 28.6030 178.0670 89 A 3.8866 7.8047 123.8505 54.8844 18.2064 179.0837 90 E 4.1508 8.1719 117.7830 59.0043 29.4251 178.9737 91 K 4.0583 7.4728 117.0902 58.5186 32.2303 178.3808 92 I 3.9799 7.4305 118.1988 61.4486 38.8446 175.6781 93 F 4.9501 8.2844 117.5588 54.9370 39.3888 173.5152 94 P 4.5181 0.0000 0.0000 63.8692 31.8302 176.4728 95 G 3.5864 9.2195 109.7959 46.5572 0.0000 173.8958 *97 V 4.1062 7.5489 116.8584 62.3770 33.0136 174.7119 98 K 4.6625 9.0040 128.2701 54.8536 35.5752 174.0114 99 Y 4.7847 8.6660 127.8846 56.5117 41.1624 174.1844 100 I 4.3110 7.7405 127.3694 58.8828 38.3232 175.8439 101 E 3.8983 8.5327 125.7758 59.1621 29.6456 178.7154 102 E 4.0634 8.2123 118.0886 58.7644 29.5106 177.5770 103 T 4.3714 7.3509 104.1154 60.0865 70.1729 172.7714 104 N 4.2166 8.3131 119.0473 54.0576 37.8095 173.3660 105 V 4.7031 6.8206 116.2622 59.9701 36.1864 175.5129 106 V 4.7961 8.5201 121.7888 61.3420 33.6861 174.3297 107 L 4.8627 9.1422 128.3618 53.6046 44.0585 175.8301 108 I 4.2217 8.2355 123.7195 60.3512 39.6549 176.0678 109 G 3.7195 8.4919 118.6978 45.4561 0.0000 171.8819 110 D 4.7659 8.5907 119.4089 54.3197 41.5543 176.7207 111 K 4.5400 7.8553 115.9939 55.4104 34.3724 175.6195 112 V 4.7058 7.4554 119.0643 60.8590 34.5048 174.5368 113 R 5.0131 8.9182 123.4721 54.5327 32.9474 173.8108 114 V 4.5377 8.6911 123.9945 61.0637 33.4054 174.8256 115 S 5.1578 8.0074 122.8241 56.2869 65.8660 174.6570 116 E 4.2914 8.8479 118.0214 59.1614 29.4627 178.7976 117 I 3.9320 7.6607 119.3821 62.0727 37.6771 176.4718 118 G 3.1652 6.1675 105.3161 44.8884 0.0000 170.6587 119 V 3.9732 7.3700 119.4142 61.7741 32.4476 175.4067 120 E 4.4557 9.5608 127.3262 53.7023 31.8423 175.2962 121 G 4.5741 7.7031 111.2927 43.5573 0.0000 171.9139 122 V 4.4140 7.6311 112.7101 60.1240 36.1426 175.4432 123 G 3.8673 8.4885 105.8854 44.2490 0.0000 172.0340 124 P 4.2706 0.0000 0.0000 65.4282 31.3289 178.6125 125 V 3.8686 7.8739 116.4553 66.1269 31.5132 177.5711 126 A 4.0125 8.0487 119.8013 55.3336 18.2415 179.2950 127 E 3.9295 8.1226 116.8557 59.5122 29.6082 179.4412 128 R 3.9289 8.8647 119.3464 59.5532 30.1099 178.2413 129 A 4.3906 8.7577 120.8678 55.3737 18.4056 179.5983 130 K 3.9575 8.7186 117.2773 59.8763 32.1625 179.7488 131 R 4.0357 8.1229 118.1275 59.1393 29.9005 178.9407 132 L 4.1123 8.2176 120.1938 58.1608 42.2000 178.7243 133 F 4.4066 9.3686 121.2718 61.3939 39.1042 176.6716 134 E 3.9416 8.3597 117.9074 59.2478 29.8910 178.1249 135 E 4.0687 8.4270 119.3629 59.2953 29.5368 178.1767 136 F 4.3355 8.8887 120.6987 61.3132 40.2236 176.5339 137 L 4.0328 7.5156 118.4719 53.1301 39.6031 177.1521 138 K 3.9492 7.2840 121.3859 57.2512 33.8494 175.8240 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 12 F 8.13 5.45 0.00 3.30 3.41 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.08 3.46 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 1.07 0.00 0.00 0.93 0.00 0.00 14 A 8.71 3.99 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 15 E 8.27 4.10 0.00 2.14 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 2.44 2.51 0.00 16 L 8.16 4.04 0.00 1.95 1.79 1.14 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 17 N 8.30 4.43 0.00 3.11 2.90 0.00 0.00 6.65 6.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 N 7.85 4.46 0.00 2.73 3.05 0.00 0.00 7.21 8.76 0.00 0.00 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 L 8.09 4.43 0.00 1.82 1.67 0.89 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 20 L 7.16 4.31 0.00 1.73 1.63 0.97 1.07 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 G 9.12 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 0.00 0.00 0.00 22 R 7.96 4.53 0.00 1.83 2.05 0.00 3.30 0.00 0.00 3.11 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.72 0.00 23 E 8.55 4.71 0.00 1.99 1.85 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 2.29 2.48 0.00 24 V 9.13 4.73 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 0.68 0.00 0.00 0.99 0.00 0.00 25 Q 8.83 5.11 0.00 2.12 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.53 6.75 0.00 0.00 0.00 0.00 0.00 2.24 2.26 0.00 26 V 9.27 4.79 2.18 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 0.95 0.00 0.00 0.98 0.00 0.00 27 V 8.66 4.50 1.65 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 0.96 0.00 0.00 0.90 0.00 0.00 28 L 8.80 5.31 0.00 1.94 1.65 1.03 0.88 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 29 S 9.08 4.42 0.00 4.05 4.07 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 30 N 8.19 4.67 0.00 2.85 2.93 0.00 0.00 6.36 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 G 8.05 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 32 E 8.49 4.27 0.00 2.16 1.84 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 2.33 2.39 0.00 33 V 7.86 4.76 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 1.03 0.00 0.00 0.91 0.00 0.00 34 Y 9.07 4.97 0.00 2.97 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 35 K 8.79 4.95 0.00 1.80 1.62 0.00 1.71 0.00 0.00 1.65 0.00 0.00 2.84 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.32 1.54 7.81 36 G 8.22 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 0.00 0.00 0.00 0.00 37 V 7.73 4.42 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 1.00 0.00 0.00 0.94 0.00 0.00 38 L 9.00 4.25 0.00 1.92 1.58 0.98 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 39 H 9.18 4.57 0.00 3.11 3.44 0.00 6.04 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 A 7.57 4.68 1.23 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 41 V 8.34 4.98 2.12 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 0.93 0.00 0.00 0.98 0.00 0.00 42 D 8.41 5.02 0.00 2.88 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 43 N 8.60 4.22 0.00 2.68 2.87 0.00 0.00 6.86 7.69 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 44 Q 8.01 3.94 0.00 2.01 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.62 0.00 0.00 0.00 0.00 0.00 2.12 2.26 0.00 45 L 8.01 3.77 0.00 1.73 1.89 0.98 1.00 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 46 N 8.60 4.91 0.00 3.04 2.85 0.00 0.00 6.79 7.90 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 47 I 8.60 4.95 1.93 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 1.00 0.94 0.00 0.00 48 V 9.11 4.71 2.12 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 0.60 0.00 0.00 1.14 0.00 0.00 49 L 8.64 5.26 0.00 1.54 1.52 0.98 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 50 A 8.70 4.96 1.14 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 0.00 0.00 51 N 8.14 4.17 0.00 2.83 2.83 0.00 0.00 6.82 6.86 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 52 A 8.02 5.21 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 9.39 5.91 0.00 3.72 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 54 N 8.16 5.41 0.00 2.27 1.60 0.00 0.00 6.75 6.93 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 55 K 8.44 3.86 0.00 1.69 1.87 0.00 1.72 0.00 0.00 1.63 0.00 0.00 2.98 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.36 1.34 7.81 56 A 7.76 4.03 1.26 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 57 G 8.03 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 58 E 7.84 4.23 0.00 2.16 1.58 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 2.38 2.32 0.00 59 K 8.08 5.20 0.00 1.78 1.68 0.00 1.48 0.00 0.00 1.66 0.00 0.00 2.87 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.16 1.30 7.81 60 F 9.14 4.86 0.00 2.95 2.88 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 0.00 0.00 0.00 61 N 9.13 4.42 0.00 2.80 2.85 0.00 0.00 6.85 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 62 R 7.82 4.88 0.00 1.48 0.81 0.00 3.00 0.00 0.00 2.87 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.52 0.00 63 V 8.19 3.92 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.41 0.00 0.00 0.67 0.00 0.00 64 F 8.72 4.84 0.00 2.91 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 65 I 8.61 4.44 1.90 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 1.11 0.93 0.94 0.00 0.00 *67 Y 8.52 4.77 0.00 3.29 3.49 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 0.00 68 R 7.15 3.67 0.00 1.26 1.45 0.00 2.95 0.00 0.00 2.95 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.65 0.00 69 Y 7.77 4.39 0.00 3.10 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 70 I 7.46 4.37 2.00 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.60 1.05 0.00 0.00 71 V 8.84 4.11 2.21 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 0.88 0.00 0.00 1.02 0.00 0.00 72 H 7.77 4.95 0.00 3.19 3.36 0.00 5.45 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 I 8.32 4.97 1.76 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.59 0.93 0.00 0.00 74 D 9.38 5.06 0.00 2.50 2.51 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 0.00 0.00 0.00 0.00 75 S 8.48 5.03 0.00 3.78 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 T 8.75 4.36 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 1.20 0.00 0.00 77 E 7.49 4.34 0.00 2.00 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 2.30 2.23 0.00 78 R 8.10 4.32 0.00 1.69 1.79 0.00 3.16 0.00 0.00 3.04 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.47 0.00 79 R 7.92 4.40 0.00 1.80 1.80 0.00 3.30 0.00 0.00 3.33 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.66 0.00 80 I 8.20 4.00 1.98 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 1.26 0.63 1.20 0.00 0.00 81 D 8.52 5.03 0.00 2.84 2.66 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 *83 R 8.40 3.80 0.00 2.14 1.85 0.00 2.80 0.00 0.00 2.25 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.06 0.00 84 E 8.34 3.98 0.00 2.17 2.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.49 0.00 85 F 8.10 3.31 0.00 1.83 2.78 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.07 3.91 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.75 3.86 0.00 1.90 1.86 0.00 1.71 0.00 0.00 1.75 0.00 0.00 3.07 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.46 1.58 7.81 88 Q 8.09 4.06 0.00 2.22 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.81 0.00 0.00 0.00 0.00 0.00 2.56 2.22 0.00 89 A 7.80 3.89 1.02 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 90 E 8.17 4.15 0.00 2.11 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 0.00 2.31 2.39 0.00 91 K 7.47 4.06 0.00 1.90 1.80 0.00 1.58 0.00 0.00 1.82 0.00 0.00 3.09 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.45 1.49 7.81 92 I 7.43 3.98 1.59 0.00 0.00 0.78 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 0.38 0.10 0.00 0.00 93 F 8.28 4.95 0.00 2.89 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 94 P 0.00 4.52 0.00 2.18 2.11 0.00 3.54 0.00 0.00 2.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.96 0.00 95 G 9.22 3.59 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 0.00 0.00 0.00 *97 V 7.55 4.11 2.27 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 0.81 0.00 0.00 1.11 0.00 0.00 98 K 9.00 4.66 0.00 1.81 1.56 0.00 1.64 0.00 0.00 1.55 0.00 0.00 2.81 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.29 1.36 7.81 99 Y 8.67 4.78 0.00 3.19 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 0.00 100 I 7.74 4.31 1.68 0.00 0.00 0.78 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 0.74 0.84 0.00 0.00 101 E 8.53 3.90 0.00 2.18 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 0.00 2.29 2.35 0.00 102 E 8.21 4.06 0.00 1.89 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 2.30 2.35 0.00 103 T 7.35 4.37 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 1.16 0.00 0.00 104 N 8.31 4.22 0.00 2.92 2.92 0.00 0.00 6.91 7.27 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 0.00 105 V 6.82 4.70 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 0.64 0.00 0.00 0.90 0.00 0.00 106 V 8.52 4.80 2.32 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 1.22 0.00 0.00 1.31 0.00 0.00 107 L 9.14 4.86 0.00 1.55 1.50 0.87 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 108 I 8.24 4.22 1.54 0.00 0.00 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 1.21 -0.26 0.00 0.00 109 G 8.49 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 0.00 0.00 0.00 110 D 8.59 4.77 0.00 2.62 2.67 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.86 4.54 0.00 1.65 1.73 0.00 1.67 0.00 0.00 1.61 0.00 0.00 2.96 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.30 1.36 7.81 112 V 7.46 4.71 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 0.96 0.00 0.00 0.89 0.00 0.00 113 R 8.92 5.01 0.00 1.78 1.89 0.00 2.71 0.00 0.00 3.03 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.46 0.00 114 V 8.69 4.54 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 0.02 0.00 0.00 0.91 0.00 0.00 115 S 8.01 5.16 0.00 3.87 3.88 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 0.00 0.00 0.00 116 E 8.85 4.29 0.00 2.05 2.18 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 2.44 2.41 0.00 117 I 7.66 3.93 1.80 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 1.24 0.46 0.88 0.00 0.00 118 G 6.17 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 0.00 0.00 0.00 119 V 7.37 3.97 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 0.80 0.00 0.00 0.80 0.00 0.00 120 E 9.56 4.46 0.00 1.91 1.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.16 0.00 121 G 7.70 4.57 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 0.00 0.00 0.00 122 V 7.63 4.41 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 0.73 0.00 0.00 0.92 0.00 0.00 123 G 8.49 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 0.00 0.00 0.00 124 P 0.00 4.27 0.00 2.22 2.14 0.00 3.64 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.16 0.00 125 V 7.87 3.87 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 1.00 0.00 0.00 126 A 8.05 4.01 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 0.00 127 E 8.12 3.93 0.00 2.21 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 2.65 2.49 0.00 128 R 8.86 3.93 0.00 2.02 2.39 0.00 3.18 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.73 0.00 129 A 8.76 4.39 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 0.00 0.00 0.00 0.00 0.00 130 K 8.72 3.96 0.00 2.02 1.97 0.00 1.71 0.00 0.00 1.68 0.00 0.00 2.96 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.49 1.79 7.81 131 R 8.12 4.04 0.00 2.19 2.05 0.00 3.16 0.00 0.00 3.14 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.70 0.00 132 L 8.22 4.11 0.00 1.93 2.17 0.97 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 133 F 9.37 4.41 0.00 3.16 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 0.00 134 E 8.36 3.94 0.00 2.15 2.27 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 2.36 2.35 0.00 135 E 8.43 4.07 0.00 2.15 2.18 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 2.38 2.35 0.00 136 F 8.89 4.34 0.00 3.24 3.24 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 0.00 137 L 7.52 4.03 0.00 1.70 1.47 0.83 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 138 K 7.28 3.95 0.00 1.84 1.58 0.00 1.88 0.00 0.00 1.72 0.00 0.00 3.02 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.26 1.23 7.81 * Residues marked with a * may have inaccurate shift predictions.