NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 7 K 4.3562 8.3144 122.1425 53.9026 34.1266 175.3492 8 V 4.3327 7.5131 117.6602 59.7067 34.5812 172.3821 9 L 4.5108 9.2922 130.8951 53.3396 43.8612 175.0226 10 K 4.4075 8.7126 127.2800 55.7567 33.4907 176.0644 11 I 4.9965 8.4006 125.5306 59.4521 40.0278 174.5185 12 Q 4.6025 9.3793 128.5163 54.2944 31.2287 173.9506 13 L 4.8232 8.5575 126.5712 53.8442 42.7386 176.6261 14 R 4.6627 9.4237 123.2344 56.0355 31.0825 175.8598 15 S 4.5185 7.6135 112.7054 56.9614 65.5317 175.1128 16 A 4.0758 8.4600 123.3448 54.5010 17.8963 178.5641 17 S 4.4000 8.3729 111.3465 58.7329 63.4117 173.8569 18 A 4.6151 7.4166 124.1663 51.3051 19.6351 176.8302 19 T 4.4026 8.0761 117.3210 61.0011 70.8933 174.5910 20 V 3.5608 8.4240 125.4752 62.8204 31.8124 173.7482 21 P 5.4024 0.0000 0.0000 62.9106 31.8422 175.6615 22 T 4.9542 8.8811 112.6500 60.0370 72.2291 172.5102 23 K 4.7744 8.3746 122.8031 54.9034 35.5687 175.3176 *25 S 4.1877 8.5062 117.0861 57.8634 63.8790 174.6602 26 A 3.8885 8.4636 123.7155 54.3853 18.4791 178.6533 27 T 4.1635 7.2807 111.4222 64.8207 69.4743 175.4414 28 A 3.8094 7.1652 120.9649 52.0665 18.9082 177.4917 29 A 4.0977 8.5144 124.3077 54.2655 18.9562 177.9646 30 G 4.2243 7.3784 100.3011 44.7628 0.0000 171.6445 31 Y 4.8674 8.8124 118.9976 55.8056 40.7635 175.1749 32 D 4.7302 9.2280 124.6773 54.4778 42.2595 175.1970 33 I 4.8283 8.7850 124.7170 59.8656 39.4940 174.0916 34 Y 5.2177 8.8151 124.2891 55.7767 40.1014 175.5894 35 A 4.4720 8.9354 126.1501 52.8733 19.2490 177.9887 36 S 4.8054 8.8473 115.7252 57.7689 64.3870 174.1788 37 Q 4.5489 7.7578 120.1234 54.9508 31.7075 173.3233 38 D 4.7202 8.8116 126.3092 55.5519 41.6520 175.6094 39 I 4.4293 8.3556 120.2123 60.5357 42.2254 173.0487 40 T 4.9765 8.3297 122.3349 61.8658 71.7789 173.4398 41 I 4.3087 9.0430 128.2922 59.2595 38.4053 173.8527 42 P 4.8946 0.0000 0.0000 62.0792 32.6241 175.7558 43 A 3.9625 8.9801 124.1417 53.8374 18.8932 177.4641 44 M 3.3299 8.0932 120.1974 54.5448 31.1315 177.0580 45 G 4.1683 7.7281 107.0242 45.9345 0.0000 172.2491 46 Q 5.1351 8.7157 118.9320 55.8793 31.9425 173.6141 47 G 4.1593 8.4632 106.2775 45.9240 0.0000 171.2819 48 M 5.3191 8.4667 118.6635 53.5563 35.4101 174.5540 49 V 4.4232 8.5570 125.3883 61.1092 33.9324 175.2699 50 S 4.8730 8.7412 123.9381 58.9181 63.5978 174.9310 51 T 4.5156 8.6694 110.9599 60.9572 70.7574 173.8478 52 D 4.4848 8.8915 120.8729 54.9975 39.3251 172.6544 53 I 5.1326 7.4313 110.0840 59.3163 41.2325 174.2988 54 S 5.0804 8.7195 118.8896 56.9505 66.7762 172.9449 55 F 5.3398 7.7903 115.1042 56.2107 41.2216 173.7444 56 T 4.6559 8.7507 117.1495 61.9002 70.0288 174.8419 57 V 4.1415 8.6480 120.0294 60.3840 32.5915 174.7149 58 P 4.4508 0.0000 0.0000 62.2935 32.6612 176.1818 59 V 3.5129 8.3519 121.4214 65.0724 31.8012 176.3588 60 G 3.9723 9.3705 114.1812 45.6450 0.0000 172.0413 61 T 6.0505 7.8572 108.4478 58.8568 72.0772 172.0625 62 Y 4.9840 8.3753 118.6542 54.8927 42.4176 174.5226 63 G 4.0874 9.1195 107.7737 45.7376 0.0000 172.7549 64 R 5.1424 8.3937 127.5917 54.5313 31.8324 175.4549 65 I 4.4356 8.8057 129.0212 61.3705 37.1376 175.4110 66 A 5.0097 9.0481 129.8636 48.8826 22.2905 173.6614 67 P 4.6374 0.0000 0.0000 62.6716 32.4836 176.3789 68 R 4.1679 8.4588 121.3434 55.8888 31.1430 177.8205 69 S 4.2135 8.8910 119.3912 61.5406 62.8258 177.0387 70 G 3.6099 7.9948 107.8650 47.9851 0.0000 175.6611 71 L 4.0027 7.8635 120.8674 56.7830 41.4874 179.4140 72 A 4.2916 7.5144 122.5168 54.7140 18.1746 179.9102 73 V 3.5074 7.4798 115.2528 66.1440 31.7403 178.0940 74 K 4.2440 8.2530 117.3900 58.4752 32.0964 177.4744 75 N 4.8353 7.5375 111.7476 51.6478 40.8027 174.4151 76 G 3.9202 7.8967 106.5115 46.5300 0.0000 172.9621 77 I 4.7551 7.3858 119.7957 59.6388 39.2263 174.7052 78 Q 4.7862 9.0182 127.4880 54.2443 32.4791 174.3312 79 T 4.4882 8.8074 116.4772 61.8836 69.9279 174.0105 80 G 4.2530 8.6064 112.2831 43.8363 0.0000 175.4648 81 A 3.6110 9.9925 124.3587 52.9163 18.2215 179.3136 82 G 3.9670 9.0355 108.3145 47.3173 0.0000 172.4741 83 V 4.4628 7.5167 119.7837 62.1372 32.0424 175.3148 84 V 4.2604 9.1552 130.2880 61.2250 33.0585 174.9571 85 D 4.9299 8.6321 128.1106 53.9380 41.6380 177.8382 86 R 4.0200 8.9367 121.6821 59.0672 30.2809 176.9310 87 D 4.7436 8.0164 114.9487 52.9870 39.7762 175.1910 88 Y 4.3491 8.1578 123.2334 57.8008 39.0732 175.5806 89 T 4.2666 7.7762 115.3972 60.9522 69.6311 174.0530 90 G 3.5667 5.5809 110.7230 43.6494 0.0000 172.9553 91 E 4.0278 8.4175 120.0386 56.2928 29.8449 176.2146 92 V 3.9365 8.6579 127.3328 62.8621 31.9548 175.1577 93 K 4.8375 8.7080 127.2401 54.6325 34.7776 175.6387 94 V 4.2455 8.4346 124.2875 61.2645 33.5248 174.6185 95 V 4.2804 8.2532 128.3807 62.1330 32.9606 174.3821 96 L 5.1312 8.5726 127.4728 52.9305 45.1304 175.3905 97 F 5.2622 9.3989 122.0262 55.8161 42.0265 174.3103 98 N 5.1370 9.1150 121.4658 52.4294 40.8468 173.9972 99 H 4.9777 9.2519 123.5568 55.8799 29.8710 175.4856 100 S 4.6399 8.5289 115.5805 57.3255 65.3881 174.6574 101 Q 4.3858 8.6685 116.6504 56.2598 28.8665 175.8601 102 R 4.7824 7.5976 117.6935 53.9557 32.4210 175.8819 103 D 4.7530 8.8783 122.9096 54.6800 42.0569 175.5723 104 F 4.9026 9.3460 124.6747 56.5446 41.5298 173.8816 105 A 4.6071 8.0958 128.6428 50.6490 20.1470 175.8889 106 I 4.3936 8.6281 124.1094 59.3939 40.2901 174.9890 107 K 5.0661 8.9070 125.6058 53.9037 35.0043 175.6519 108 K 4.0870 9.3516 124.4203 58.2768 32.4261 176.4050 109 G 4.1762 9.1781 114.7673 45.4114 0.0000 173.6602 110 D 4.7049 8.1765 119.8985 54.1246 42.2257 175.9498 111 R 4.3595 8.4368 121.1644 56.1353 30.3661 176.7023 112 V 4.5321 8.5974 115.5124 61.4347 34.5143 174.7720 113 A 4.6045 7.4487 120.5367 51.3280 22.7740 174.5249 114 Q 5.0358 8.9689 116.1342 54.5061 32.2650 174.3733 115 L 4.9759 9.2353 124.0871 54.0520 44.0587 175.0965 116 I 4.7064 8.3474 126.5470 59.5455 40.2854 175.3941 117 L 4.7140 8.5218 127.6845 53.3561 40.2771 174.6912 118 E 4.0046 8.1142 121.4000 55.9838 30.7042 176.3622 119 K 4.8150 8.6851 125.0408 56.4445 32.8389 176.2862 120 I 4.7627 8.6753 117.5329 59.4465 41.5372 174.8198 121 V 4.1009 8.4154 122.4607 61.7876 31.1882 174.9058 122 D 4.8824 8.6721 126.4309 53.2100 40.1065 176.1590 123 D 4.9157 7.6944 119.1508 52.9511 39.9739 175.9140 124 A 4.1718 8.0121 121.6804 52.9779 19.1386 178.0639 125 Q 4.1859 8.4106 120.3279 55.5217 29.4350 176.1243 126 I 4.0761 8.2183 124.3094 60.6131 38.0287 175.5385 127 V 4.2863 8.1015 123.9981 60.9752 34.0293 174.4143 128 V 4.0974 8.4303 127.1316 61.7405 32.1531 175.2147 129 V 4.5918 7.9521 119.5446 59.3430 35.0343 175.6920 130 D 4.5299 8.7538 121.9873 57.1168 40.9179 177.1689 131 S 4.6755 7.4572 110.0498 56.6048 66.0050 173.7264 132 L 4.1880 8.4051 120.4423 55.2175 41.4969 176.9560 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 7 K 8.31 4.36 0.00 1.79 1.79 0.00 1.72 0.00 0.00 1.70 0.00 0.00 2.83 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.26 1.01 7.81 8 V 7.51 4.33 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 0.90 0.00 0.00 0.93 0.00 0.00 9 L 9.29 4.51 0.00 1.45 1.34 0.68 -0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 10 K 8.71 4.41 0.00 1.81 1.74 0.00 1.67 0.00 0.00 1.65 0.00 0.00 2.84 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.43 1.42 7.81 11 I 8.40 5.00 1.87 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.83 0.95 0.00 0.00 12 Q 9.38 4.60 0.00 2.04 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.86 0.00 0.00 0.00 0.00 0.00 2.24 2.29 0.00 13 L 8.56 4.82 0.00 1.56 1.58 0.91 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 14 R 9.42 4.66 0.00 1.68 1.93 0.00 3.23 0.00 0.00 3.36 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.53 0.00 15 S 7.61 4.52 0.00 3.95 3.97 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 16 A 8.46 4.08 1.29 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 0.00 0.00 17 S 8.37 4.40 0.00 3.89 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 18 A 7.42 4.62 1.25 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 0.00 0.00 19 T 8.08 4.40 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 0.55 0.00 0.00 20 V 8.42 3.56 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 0.80 0.00 0.00 0.92 0.00 0.00 21 P 0.00 5.40 0.00 1.92 2.17 0.00 3.72 0.00 0.00 4.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.06 0.00 22 T 8.88 4.95 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 1.38 0.00 0.00 23 K 8.37 4.77 0.00 1.37 1.55 0.00 1.47 0.00 0.00 1.68 0.00 0.00 2.63 0.00 0.00 2.36 0.00 0.00 0.00 0.00 1.23 0.98 7.81 *25 S 8.51 4.19 0.00 4.04 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 26 A 8.46 3.89 1.28 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 0.00 0.00 0.00 27 T 7.28 4.16 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 1.19 0.00 0.00 28 A 7.17 3.81 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 29 A 8.51 4.10 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 30 G 7.38 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 31 Y 8.81 4.87 0.00 2.88 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 32 D 9.23 4.73 0.00 2.55 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 0.00 0.00 0.00 0.00 33 I 8.78 4.83 1.90 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.04 1.01 0.00 0.00 34 Y 8.82 5.22 0.00 2.80 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 A 8.94 4.47 1.34 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 36 S 8.85 4.81 0.00 3.87 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 37 Q 7.76 4.55 0.00 2.05 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.91 0.00 0.00 0.00 0.00 0.00 2.24 2.37 0.00 38 D 8.81 4.72 0.00 2.56 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 39 I 8.36 4.43 1.87 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 1.43 0.95 0.91 0.00 0.00 40 T 8.33 4.98 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 1.22 0.00 0.00 41 I 9.04 4.31 2.05 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 1.58 1.26 0.99 0.00 0.00 42 P 0.00 4.89 0.00 2.10 1.99 0.00 3.79 0.00 0.00 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.12 0.00 43 A 8.98 3.96 1.29 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 0.00 0.00 44 M 8.09 3.33 0.00 2.17 2.14 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.59 0.00 45 G 7.73 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 46 Q 8.72 5.14 0.00 1.97 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.64 0.00 0.00 0.00 0.00 0.00 2.30 2.34 0.00 47 G 8.46 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 0.00 0.00 0.00 0.00 48 M 8.47 5.32 0.00 1.97 1.85 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 2.48 0.00 49 V 8.56 4.42 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 0.95 0.00 0.00 1.00 0.00 0.00 50 S 8.74 4.87 0.00 3.84 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 51 T 8.67 4.52 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 1.34 0.00 0.00 52 D 8.89 4.48 0.00 2.86 2.76 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 0.00 0.00 0.00 53 I 7.43 5.13 1.98 0.00 0.00 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 1.35 1.48 0.98 0.00 0.00 54 S 8.72 5.08 0.00 3.69 3.56 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 0.00 0.00 0.00 55 F 7.79 5.34 0.00 2.96 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 56 T 8.75 4.66 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 1.31 0.00 0.00 57 V 8.65 4.14 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 0.79 0.00 0.00 1.11 0.00 0.00 58 P 0.00 4.45 0.00 2.08 1.98 0.00 3.60 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 2.11 2.18 0.00 59 V 8.35 3.51 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 60 G 9.37 3.97 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 61 T 7.86 6.05 4.32 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 1.23 0.00 0.00 62 Y 8.38 4.98 0.00 3.29 3.05 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 63 G 9.12 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 64 R 8.39 5.14 0.00 1.55 1.67 0.00 3.22 0.00 0.00 3.31 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.73 0.00 65 I 8.81 4.44 1.93 0.00 0.00 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 1.27 1.01 0.95 0.00 0.00 66 A 9.05 5.01 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 67 P 0.00 4.64 0.00 2.06 2.07 0.00 3.51 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.32 0.00 68 R 8.46 4.17 0.00 1.87 1.86 0.00 3.13 0.00 0.00 3.39 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.62 0.00 69 S 8.89 4.21 0.00 3.84 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 70 G 7.99 3.61 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 0.00 0.00 0.00 71 L 7.86 4.00 0.00 1.58 1.42 0.96 1.25 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 72 A 7.51 4.29 1.34 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 73 V 7.48 3.51 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 0.86 0.00 0.00 0.96 0.00 0.00 74 K 8.25 4.24 0.00 1.84 1.86 0.00 1.85 0.00 0.00 1.74 0.00 0.00 3.03 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.49 1.47 7.81 75 N 7.54 4.84 0.00 2.35 2.30 0.00 0.00 7.00 7.14 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 76 G 7.90 3.92 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 0.00 77 I 7.39 4.76 1.70 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 0.64 -0.09 0.79 0.00 0.00 78 Q 9.02 4.79 0.00 2.24 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 7.01 0.00 0.00 0.00 0.00 0.00 2.40 2.51 0.00 79 T 8.81 4.49 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 1.22 0.00 0.00 80 G 8.61 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 0.00 0.00 0.00 0.00 81 A 9.99 3.61 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 82 G 9.04 3.97 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 83 V 7.52 4.46 2.04 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 0.53 0.00 0.00 0.91 0.00 0.00 84 V 9.16 4.26 2.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.00 0.00 1.01 0.00 0.00 85 D 8.63 4.93 0.00 2.75 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 86 R 8.94 4.02 0.00 1.87 2.04 0.00 3.42 0.00 0.00 3.32 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.83 0.00 87 D 8.02 4.74 0.00 2.84 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 88 Y 8.16 4.35 0.00 3.01 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 89 T 7.78 4.27 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 1.12 0.00 0.00 90 G 5.58 3.57 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 91 E 8.42 4.03 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 2.33 2.32 0.00 92 V 8.66 3.94 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 0.89 0.00 0.00 0.49 0.00 0.00 93 K 8.71 4.84 0.00 1.65 1.68 0.00 1.79 0.00 0.00 1.64 0.00 0.00 2.99 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.37 1.43 7.81 94 V 8.43 4.25 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 1.02 0.00 0.00 0.98 0.00 0.00 95 V 8.25 4.28 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 0.46 0.00 0.00 0.83 0.00 0.00 96 L 8.57 5.13 0.00 1.57 1.48 1.01 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 97 F 9.40 5.26 0.00 2.96 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 98 N 9.11 5.14 0.00 2.75 2.87 0.00 0.00 7.04 8.57 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 99 H 9.25 4.98 0.00 3.03 3.30 0.00 5.70 0.00 0.00 0.00 0.00 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 S 8.53 4.64 0.00 3.90 4.12 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 0.00 101 Q 8.67 4.39 0.00 2.08 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.05 6.73 0.00 0.00 0.00 0.00 0.00 2.34 2.32 0.00 102 R 7.60 4.78 0.00 1.74 1.87 0.00 3.22 0.00 0.00 3.25 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.60 0.00 103 D 8.88 4.75 0.00 2.59 2.64 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 0.00 104 F 9.35 4.90 0.00 2.98 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 0.00 105 A 8.10 4.61 1.09 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 0.00 106 I 8.63 4.39 1.94 0.00 0.00 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 1.13 0.55 0.90 0.00 0.00 107 K 8.91 5.07 0.00 1.63 1.66 0.00 1.70 0.00 0.00 1.53 0.00 0.00 2.77 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.29 1.45 7.81 108 K 9.35 4.09 0.00 1.68 1.77 0.00 1.76 0.00 0.00 1.71 0.00 0.00 3.30 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.48 1.48 7.81 109 G 9.18 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 0.00 0.00 0.00 0.00 110 D 8.18 4.70 0.00 2.65 2.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 R 8.44 4.36 0.00 1.56 1.64 0.00 3.07 0.00 0.00 3.02 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.51 1.15 0.00 112 V 8.60 4.53 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 0.79 0.00 0.00 1.03 0.00 0.00 113 A 7.45 4.60 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 0.00 114 Q 8.97 5.04 0.00 2.04 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.78 6.80 0.00 0.00 0.00 0.00 0.00 2.32 2.24 0.00 115 L 9.24 4.98 0.00 1.71 1.72 0.72 -0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 116 I 8.35 4.71 1.79 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.58 0.90 0.00 0.00 117 L 8.52 4.71 0.00 1.55 1.60 0.90 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 118 E 8.11 4.00 0.00 1.24 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 1.91 1.99 0.00 119 K 8.69 4.82 0.00 1.66 1.78 0.00 1.71 0.00 0.00 1.77 0.00 0.00 2.96 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.46 1.45 7.81 120 I 8.68 4.76 1.94 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.72 1.15 0.00 0.00 121 V 8.42 4.10 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 0.91 0.00 0.00 0.95 0.00 0.00 122 D 8.67 4.88 0.00 2.83 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 0.00 123 D 7.69 4.92 0.00 2.76 2.74 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 0.00 124 A 8.01 4.17 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 0.00 125 Q 8.41 4.19 0.00 2.06 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.85 0.00 0.00 0.00 0.00 0.00 2.36 2.32 0.00 126 I 8.22 4.08 1.87 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 1.29 0.47 0.91 0.00 0.00 127 V 8.10 4.29 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 0.80 0.00 0.00 0.93 0.00 0.00 128 V 8.43 4.10 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 0.00 129 V 7.95 4.59 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 0.81 0.00 0.00 0.97 0.00 0.00 130 D 8.75 4.53 0.00 2.66 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 0.00 131 S 7.46 4.68 0.00 3.91 3.77 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 0.00 132 L 8.41 4.19 0.00 1.66 1.61 0.92 0.83 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 * Residues marked with a * may have inaccurate shift predictions.