NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *3 E 4.4750 8.3033 118.6760 56.6188 31.8067 174.6815 4 E 5.1843 8.4238 118.6265 54.6368 33.7987 173.9445 5 S 4.7900 9.0133 115.6599 56.4035 66.8653 172.7238 6 F 4.6439 9.0821 128.2846 58.5477 40.2744 173.3475 7 Y 4.4777 7.8681 126.6869 55.5785 41.1798 174.8766 8 G 4.0185 7.5784 113.7336 45.4816 0.0000 172.2560 9 V 4.6258 8.3093 119.2303 59.4118 36.1310 174.9722 10 T 5.1866 8.4727 118.2324 61.8508 71.4991 173.5129 11 L 5.1366 8.8770 125.2008 53.3121 45.0487 175.6900 12 T 5.1130 8.6751 111.6412 60.0350 72.5140 174.4992 13 A 3.9777 8.3684 123.4533 55.3556 18.1205 179.3993 14 E 4.0735 8.3137 113.6856 58.7261 30.2143 177.1501 15 S 4.6158 8.0497 113.3414 56.4044 62.1891 173.1249 16 D 4.9443 7.9761 119.8722 52.7542 40.8395 176.4591 17 S 5.2527 7.8183 112.9999 57.0424 66.0718 173.1034 18 V 4.6358 8.8486 124.5313 61.7603 35.0897 173.6206 19 T 5.1382 8.7709 123.5484 61.4975 71.4452 173.0005 20 W 4.8012 9.3666 135.0000 55.0661 32.9421 176.4177 21 D 3.9318 7.6560 127.7690 51.9331 41.0224 174.9199 22 V 3.2162 6.0749 119.7204 63.8211 31.8011 174.8885 23 D 4.1824 7.6498 131.6282 61.6627 39.1789 176.9725 24 E 3.5331 7.1724 109.8456 56.9460 31.8237 180.2103 25 D 4.5138 8.5905 125.1268 54.2365 41.1607 173.8683 26 Y 4.4976 7.7538 118.5765 57.5662 41.3620 173.9561 27 A 4.4734 8.9337 129.5916 50.7993 18.7136 175.6964 28 R 4.4873 9.3863 118.5032 56.6800 29.8490 177.8568 29 G 4.0809 8.7033 105.7508 45.7232 0.0000 174.1991 30 Q 4.4729 7.7120 118.1048 56.3356 29.7557 175.3201 31 K 5.2682 9.3121 122.6285 54.8315 36.4718 174.2290 32 L 4.3780 8.6420 129.0994 53.0713 44.0364 174.8489 33 V 4.5623 8.4659 126.9596 61.2528 33.9029 174.2493 34 I 4.5652 8.7299 129.8809 60.2758 38.1183 176.4219 35 K 4.2181 9.1219 127.9977 58.3260 33.7882 177.0398 36 Q 4.9935 7.8556 119.1428 54.6389 33.1745 173.5856 37 I 4.9623 8.8589 125.6664 59.5494 40.6951 174.0011 38 L 5.2401 8.9979 129.8092 52.9984 45.0127 174.8180 39 L 4.4810 8.7100 128.6890 53.9344 43.0011 176.7427 40 G 3.9363 8.9028 113.9592 46.0895 0.0000 174.4550 41 A 4.1844 8.8855 124.6785 54.9702 18.5390 178.7987 42 E 4.1516 8.1254 112.6282 57.2104 30.0246 176.9622 43 A 4.1330 7.6323 123.1097 51.8283 18.9020 177.6768 44 K 3.9099 8.6505 122.2121 56.3381 32.7277 176.2177 45 E 3.9138 8.5450 124.1835 57.6265 30.0214 176.4363 46 N 4.0950 8.5257 121.5978 53.4678 36.9408 173.4418 47 E 4.3571 7.5252 120.0368 54.4043 30.4220 175.6585 48 F 4.6062 8.6590 125.6138 57.7151 40.0580 174.4057 49 N 5.2802 9.7113 120.9779 51.5005 41.7194 173.4997 50 V 4.9062 8.9405 124.2280 61.0040 34.7745 174.1104 51 V 4.8276 8.6125 127.8046 61.2035 33.7058 173.7189 52 E 5.2399 9.4913 129.3168 54.3889 32.4568 174.6631 53 V 4.7604 8.7180 126.1342 60.1920 34.2939 174.4007 54 N 5.4735 8.7561 120.2003 51.8929 42.5760 173.7072 55 T 4.8156 8.8888 119.8254 60.7390 72.1846 173.1140 56 P 4.1833 0.0000 0.0000 65.4304 31.6924 178.7999 57 K 4.0449 7.9880 117.6763 59.2352 32.0309 176.0476 58 D 4.9193 7.6802 116.4449 54.0321 42.0649 175.1565 59 S 3.6810 8.2085 112.7201 59.4142 61.3060 172.4068 60 V 4.2186 7.7021 119.4775 61.7072 33.0634 174.8058 61 Q 4.8105 8.4675 129.4300 56.0642 30.8217 172.8822 62 I 4.4332 8.3695 125.1309 59.1591 42.1043 171.8059 63 P 4.9374 0.0000 0.0000 62.8616 31.5671 176.1505 64 I 4.6057 8.9865 116.1894 60.7164 39.0878 175.3618 65 A 4.6643 7.6925 124.5555 50.9237 22.7260 175.3247 66 V 4.7513 8.5276 121.6044 61.2944 34.0445 174.4615 67 L 5.0960 9.0457 127.9734 53.1751 45.9629 176.0230 68 K 4.6594 8.7701 119.7432 55.3903 36.2762 174.7706 69 A 4.0685 8.5791 131.0622 53.9833 18.6699 177.6416 70 G 4.0421 9.3315 111.4756 45.1749 0.0000 173.0692 71 E 4.3472 8.3117 117.1545 57.2958 31.4487 176.0539 72 T 4.4878 7.4860 118.7879 61.7283 70.9059 174.2638 73 R 4.1840 8.5885 127.8904 58.6764 31.3578 175.5237 74 A 5.0365 7.5690 117.1191 51.2278 22.1552 175.8138 75 V 4.4794 8.6319 111.7862 59.7799 36.1845 174.7964 76 N 5.8107 8.4250 119.4242 49.6258 38.0918 172.3825 77 P 4.2532 0.0000 0.0000 65.0760 32.0032 177.6696 78 D 4.3936 7.7208 114.4278 55.4352 40.0715 173.3386 79 V 4.4183 7.4267 109.4561 59.5693 34.5672 175.2920 80 E 4.9533 8.0410 118.9726 54.5465 32.9896 174.9122 81 F 4.8636 8.8405 119.4353 56.0375 42.3254 173.1930 82 Y 4.9356 8.8388 125.2129 57.0326 40.1575 175.9216 83 E 3.6084 8.6783 125.8605 56.5295 27.2155 174.5616 84 S 4.5569 7.2600 112.9945 56.7176 66.3800 174.4075 85 K 4.2595 8.4596 123.6219 56.0428 33.2595 175.3966 86 V 4.3813 8.9300 127.8206 61.2323 34.3477 174.0922 87 T 4.8626 8.4757 124.3122 61.7147 71.6255 172.8222 88 F 5.2856 9.1806 125.5089 55.7342 41.5758 174.8113 89 K 5.0762 9.2233 124.3806 54.6340 35.8038 175.1275 90 L 4.9399 9.0795 130.5383 54.4433 41.0209 176.1005 91 I 4.2247 8.4830 118.4792 61.3174 38.6607 175.9279 92 K 4.4033 7.9986 123.8867 56.8607 35.5135 175.8883 93 G 4.3033 9.2803 112.2187 45.8372 0.0000 173.0237 94 S 4.5511 9.0816 112.7027 57.1118 64.5175 176.3126 95 G 3.8447 8.4380 109.6993 44.8206 0.0000 171.7851 96 P 4.6113 0.0000 0.0000 62.7694 33.1773 175.8564 97 V 4.4422 8.2914 120.3010 61.2647 34.8595 173.6240 98 Y 5.2231 8.7609 125.1934 56.3279 40.8063 174.5688 99 I 4.6955 8.6497 124.6147 59.8222 39.8180 174.3443 100 H 5.2864 8.9780 124.3745 54.2743 32.4323 174.1560 101 G 4.3255 7.7808 105.8070 47.0175 0.0000 170.7405 102 H 5.2381 8.5508 117.6332 54.0942 31.7340 173.4301 103 N 4.7807 9.4063 123.2494 52.1455 39.7167 172.8250 104 I 4.5435 8.6780 127.7902 60.3375 37.8572 177.2202 105 K 4.2693 9.3343 128.7733 59.5389 32.6560 176.5338 106 D 4.6654 7.7039 116.4849 53.0451 41.6686 174.9659 107 D 4.6112 8.3304 118.3102 53.7159 39.4560 175.8676 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 *3 E 8.30 4.48 0.00 1.68 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 0.00 2.21 1.92 0.00 4 E 8.42 5.18 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 2.27 2.44 0.00 5 S 9.01 4.79 0.00 3.96 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 6 F 9.08 4.64 0.00 3.04 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 7 Y 7.87 4.48 0.00 2.87 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 8 G 7.58 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 0.00 0.00 0.00 0.00 9 V 8.31 4.63 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 0.15 0.00 0.00 0.74 0.00 0.00 10 T 8.47 5.19 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 11 L 8.88 5.14 0.00 1.47 1.50 0.96 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 12 T 8.68 5.11 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 1.19 0.00 0.00 13 A 8.37 3.98 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 14 E 8.31 4.07 0.00 1.95 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 2.32 2.36 0.00 15 S 8.05 4.62 0.00 3.82 3.69 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 16 D 7.98 4.94 0.00 2.99 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 17 S 7.82 5.25 0.00 3.86 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 18 V 8.85 4.64 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 1.05 0.00 0.00 0.99 0.00 0.00 19 T 8.77 5.14 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 1.23 0.00 0.00 20 W 9.37 4.80 0.00 3.34 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 21 D 7.66 3.93 0.00 2.52 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 0.00 0.00 0.00 22 V 6.07 3.22 1.61 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 0.82 0.00 0.00 0.92 0.00 0.00 23 D 7.65 4.18 0.00 2.85 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 24 E 7.17 3.53 0.00 2.05 1.67 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 2.19 1.85 0.00 25 D 8.59 4.51 0.00 2.45 2.39 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 26 Y 7.75 4.50 0.00 2.90 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 27 A 8.93 4.47 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 28 R 9.39 4.49 0.00 1.93 2.06 0.00 2.78 0.00 0.00 3.16 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.64 0.00 29 G 8.70 4.08 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 Q 7.71 4.47 0.00 2.42 2.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.81 0.00 0.00 0.00 0.00 0.00 2.37 2.12 0.00 31 K 9.31 5.27 0.00 2.08 1.73 0.00 1.62 0.00 0.00 1.75 0.00 0.00 2.91 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.32 1.61 7.81 32 L 8.64 4.38 0.00 0.27 0.59 -0.41 0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 33 V 8.47 4.56 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 0.92 0.00 0.00 0.86 0.00 0.00 34 I 8.73 4.57 1.98 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 1.55 1.01 0.89 0.00 0.00 35 K 9.12 4.22 0.00 1.75 1.90 0.00 1.68 0.00 0.00 1.66 0.00 0.00 2.65 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.49 1.65 7.81 36 Q 7.86 4.99 0.00 2.15 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.85 0.00 0.00 0.00 0.00 0.00 2.44 2.46 0.00 37 I 8.86 4.96 1.87 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 1.02 0.88 0.91 0.00 0.00 38 L 9.00 5.24 0.00 1.84 1.68 1.04 0.44 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 39 L 8.71 4.48 0.00 1.65 1.65 0.92 1.14 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 40 G 8.90 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 41 A 8.89 4.18 1.33 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 42 E 8.13 4.15 0.00 1.98 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 2.35 2.28 0.00 43 A 7.63 4.13 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 K 8.65 3.91 0.00 1.85 1.74 0.00 1.74 0.00 0.00 1.78 0.00 0.00 2.93 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.52 1.49 7.81 45 E 8.55 3.91 0.00 1.87 1.82 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 2.26 2.35 0.00 46 N 8.53 4.10 0.00 2.87 2.84 0.00 0.00 6.88 7.82 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 47 E 7.53 4.36 0.00 1.84 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 2.27 2.28 0.00 48 F 8.66 4.61 0.00 3.01 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 49 N 9.71 5.28 0.00 2.57 2.69 0.00 0.00 6.12 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 50 V 8.94 4.91 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 0.98 0.00 0.00 0.93 0.00 0.00 51 V 8.61 4.83 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 0.96 0.00 0.00 0.93 0.00 0.00 52 E 9.49 5.24 0.00 2.03 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 0.00 2.21 2.15 0.00 53 V 8.72 4.76 2.26 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 0.87 0.00 0.00 0.31 0.00 0.00 54 N 8.76 5.47 0.00 2.55 2.63 0.00 0.00 6.66 7.52 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 55 T 8.89 4.82 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 1.37 0.00 0.00 56 P 0.00 4.18 0.00 2.15 2.07 0.00 3.60 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.03 0.00 57 K 7.99 4.04 0.00 1.72 1.93 0.00 1.86 0.00 0.00 1.80 0.00 0.00 3.07 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.49 1.55 7.81 58 D 7.68 4.92 0.00 2.70 2.63 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 59 S 8.21 3.68 0.00 3.92 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 60 V 7.70 4.22 2.25 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 1.07 0.00 0.00 1.05 0.00 0.00 61 Q 8.47 4.81 0.00 2.05 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.60 6.46 0.00 0.00 0.00 0.00 0.00 2.25 2.54 0.00 62 I 8.37 4.43 1.90 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 1.26 1.19 0.97 0.00 0.00 63 P 0.00 4.94 0.00 1.99 1.98 0.00 3.69 0.00 0.00 3.72 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 64 I 8.99 4.61 2.01 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.77 1.14 0.00 0.00 65 A 7.69 4.66 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 66 V 8.53 4.75 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 0.91 0.00 0.00 0.91 0.00 0.00 67 L 9.05 5.10 0.00 1.57 1.66 0.91 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 68 K 8.77 4.66 0.00 1.40 1.38 0.00 1.12 0.00 0.00 0.61 0.00 0.00 2.26 0.00 0.00 2.47 0.00 0.00 0.00 0.00 1.03 1.07 7.81 69 A 8.58 4.07 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 70 G 9.33 4.04 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 0.00 71 E 8.31 4.35 0.00 1.83 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 2.22 2.25 0.00 72 T 7.49 4.49 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 1.28 0.00 0.00 73 R 8.59 4.18 0.00 1.95 1.93 0.00 3.34 0.00 0.00 3.44 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.73 0.00 74 A 7.57 5.04 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 75 V 8.63 4.48 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 0.77 0.00 0.00 0.96 0.00 0.00 76 N 8.42 5.81 0.00 2.57 2.73 0.00 0.00 7.30 8.02 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 77 P 0.00 4.25 0.00 2.06 2.15 0.00 3.96 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.11 0.00 78 D 7.72 4.39 0.00 2.78 2.68 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 0.00 0.00 0.00 0.00 79 V 7.43 4.42 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 0.71 0.00 0.00 0.87 0.00 0.00 80 E 8.04 4.95 0.00 1.80 1.73 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 2.01 2.16 0.00 81 F 8.84 4.86 0.00 3.00 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 82 Y 8.84 4.94 0.00 2.93 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 83 E 8.68 3.61 0.00 1.64 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 2.09 1.47 0.00 84 S 7.26 4.56 0.00 3.99 3.86 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 85 K 8.46 4.26 0.00 1.75 1.65 0.00 1.68 0.00 0.00 1.67 0.00 0.00 2.73 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.40 1.40 7.81 86 V 8.93 4.38 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 -0.50 0.00 0.00 0.68 0.00 0.00 87 T 8.48 4.86 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 1.24 0.00 0.00 88 F 9.18 5.29 0.00 3.05 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 89 K 9.22 5.08 0.00 1.77 1.61 0.00 1.63 0.00 0.00 1.58 0.00 0.00 2.79 0.00 0.00 3.40 0.00 0.00 0.00 0.00 1.34 1.58 7.81 90 L 9.08 4.94 0.00 1.64 1.61 1.01 1.09 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 91 I 8.48 4.22 1.88 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 1.26 0.74 0.92 0.00 0.00 92 K 8.00 4.40 0.00 1.83 1.67 0.00 1.68 0.00 0.00 1.85 0.00 0.00 2.89 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.63 1.47 7.81 93 G 9.28 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 0.00 0.00 0.00 0.00 94 S 9.08 4.55 0.00 3.84 3.85 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 95 G 8.44 3.84 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 0.00 0.00 0.00 96 P 0.00 4.61 0.00 1.75 2.10 0.00 3.58 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 1.92 1.97 0.00 97 V 8.29 4.44 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 0.94 0.00 0.00 0.83 0.00 0.00 98 Y 8.76 5.22 0.00 2.87 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 99 I 8.65 4.70 1.60 0.00 0.00 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.67 0.50 0.00 0.00 100 H 8.98 5.29 0.00 3.07 3.24 0.00 5.68 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 101 G 7.78 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 0.00 102 H 8.55 5.24 0.00 3.03 3.32 0.00 5.61 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 N 9.41 4.78 0.00 2.82 2.90 0.00 0.00 6.82 7.94 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 0.00 104 I 8.68 4.54 2.12 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 1.29 0.77 1.01 0.00 0.00 105 K 9.33 4.27 0.00 1.69 1.92 0.00 1.85 0.00 0.00 1.88 0.00 0.00 3.08 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.68 1.60 7.81 106 D 7.70 4.67 0.00 2.84 2.65 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 0.00 107 D 8.33 4.61 0.00 2.83 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 * Residues marked with a * may have inaccurate shift predictions.