NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 M 4.4968 8.2931 120.3299 54.5329 34.4172 176.2464 1 G 3.9230 7.4420 113.7836 42.9353 0.0000 171.0014 2 S 4.6972 8.7610 122.2450 57.7257 67.3790 171.5011 3 T 4.1050 8.6341 118.5016 67.5630 67.7643 177.2078 4 K 4.1102 8.1607 125.1302 59.1763 31.8546 181.0990 5 L 4.2860 7.7281 118.7969 57.2351 42.5167 178.3704 6 K 4.1147 8.3061 120.0542 59.4872 32.1942 179.1063 7 G 3.6786 8.1269 105.5846 47.6601 0.0000 175.4734 8 D 4.4041 7.6026 120.9577 57.3321 40.8706 178.8775 9 I 3.6547 7.7208 119.6052 64.3220 37.2303 178.1166 10 A 3.6598 7.8362 121.1192 55.2199 18.1402 179.4649 11 Q 3.9245 8.1366 117.7098 59.6374 29.2212 178.5925 12 Q 4.0162 8.1081 118.8130 58.6932 28.6364 178.6394 13 A 3.9139 8.4778 122.0450 55.0828 18.3334 179.4827 14 A 3.6896 8.0533 119.0505 55.3110 18.4662 179.7636 15 I 3.6222 7.7883 118.3069 64.7139 37.1164 178.2115 16 M 3.8706 8.0190 118.7350 58.7464 32.0903 178.2800 17 R 3.3752 7.8107 117.8540 59.1762 30.2470 178.9339 18 A 3.3348 7.5119 120.2830 54.8019 18.1249 179.7453 19 L 3.7977 7.5966 117.5914 57.6234 41.4531 179.5032 20 K 3.7026 7.7433 119.0826 59.5206 32.1763 178.1103 21 M 3.6497 6.9103 116.2893 55.3652 31.7007 177.4402 22 G 3.8124 7.5849 107.7532 44.9494 0.0000 173.9501 23 W 4.7226 7.2042 118.9489 56.4212 30.1121 176.1968 24 G 4.2307 8.9442 109.3267 45.7945 0.0000 173.3398 25 V 5.2414 8.1462 119.2573 60.1570 34.3601 174.2715 26 L 4.8798 9.6002 128.2515 53.3437 44.3365 176.0905 27 K 5.0672 8.5472 126.1540 52.6515 34.3799 172.8207 28 P 4.5145 0.0000 0.0000 61.3500 32.3493 175.4346 29 L 4.2408 8.2943 119.4089 54.4261 42.4516 178.1713 30 G 3.9938 8.6858 113.2624 45.1390 0.0000 172.4081 31 D 4.9288 8.2899 115.7089 52.8769 39.6228 177.6152 32 R 4.1007 7.9411 117.6674 58.7401 30.1935 176.5772 33 L 4.2094 7.4002 118.2125 53.9669 42.3259 176.9906 34 S 4.4334 8.3069 114.5228 59.7587 63.6244 173.7314 35 Y 4.8758 6.7523 118.2417 55.2510 40.7208 174.9237 36 D 4.5909 8.7194 121.2901 56.5227 42.0397 176.3066 37 L 5.1444 8.5827 117.0099 52.8464 46.9403 176.1654 38 V 4.6476 8.4445 118.8945 60.2251 34.7824 174.2145 39 F 5.4773 8.6124 123.7756 56.3739 41.2143 174.8612 40 D 5.0039 9.1480 124.6611 53.3348 41.0734 174.1892 41 V 3.7142 8.4736 124.7257 60.9546 31.4057 175.3253 42 E 4.1188 9.7072 130.9539 57.3127 27.2391 174.5442 43 G 4.2205 9.3644 108.4422 45.8894 0.0000 174.7441 44 I 3.9927 7.5378 121.1487 60.6756 38.2669 175.3390 45 L 4.9644 8.4489 127.3691 53.5694 43.0094 175.9174 46 L 4.8299 8.5286 123.9609 52.5664 44.9547 176.1388 47 K 4.2354 9.1663 124.6831 56.0689 33.4113 176.5610 48 V 4.7028 8.8044 123.9251 59.9696 34.8511 173.8611 49 Q 4.4902 8.2084 126.2910 54.4323 30.6234 174.1474 50 V 4.5799 8.6652 127.0579 61.6758 32.9738 175.2126 51 K 4.8224 9.3679 126.5285 54.6337 36.3283 175.3229 52 S 5.2342 8.5631 117.9965 56.6432 65.0947 173.4259 53 S 4.6081 8.6978 116.9009 56.5084 65.7610 172.7565 54 W 4.9616 8.1321 117.7594 54.5079 30.4823 176.7109 55 K 3.7731 9.1742 123.2249 57.4873 32.0649 174.7888 56 S 3.9182 7.9179 117.3712 58.7466 64.7668 172.0376 57 E 3.5092 8.3859 121.7456 56.5626 29.8343 175.9623 58 K 3.9609 8.1145 114.5411 58.6725 32.2853 177.0104 59 T 4.4652 7.4227 112.4803 61.5814 71.0182 175.0862 60 G 3.9591 9.9439 108.6450 45.1102 0.0000 172.3455 61 N 4.8804 7.2018 114.4644 51.7901 40.2223 173.4336 62 Y 4.9514 8.8814 118.1666 56.7618 41.3049 174.7635 63 V 5.0650 8.7140 119.9912 61.3862 35.5589 174.5045 64 V 4.8797 8.6587 125.4355 59.9315 34.9527 173.8606 65 D 5.3801 8.8262 121.2131 51.5277 42.6594 175.1297 66 N 4.8797 8.6489 116.3972 51.3365 38.4871 174.2232 67 R 4.4509 8.5333 124.7482 54.3659 29.9713 175.1778 68 R 4.4864 8.2612 118.7493 56.7488 30.5019 178.3831 69 T 4.1494 7.9080 115.6746 66.0291 68.7172 175.1720 70 R 4.5024 7.7015 119.4914 55.6839 31.0766 175.1842 *83 G 3.7566 7.9439 105.4827 45.6094 0.0000 171.1300 84 N 4.8094 7.7828 116.2398 52.4245 42.1565 171.1090 85 D 4.2152 8.3338 122.7530 53.9392 37.9089 174.2356 86 F 4.9812 6.9184 124.5786 56.3714 38.7136 176.1529 87 D 4.5613 9.1662 112.0873 55.1471 44.9534 175.3570 88 F 5.3545 8.5016 115.4620 55.5690 43.6453 173.6153 89 A 4.6177 9.4318 124.9581 50.0382 21.4728 175.7336 90 V 4.6632 8.3766 115.9048 59.5206 34.2171 174.7149 91 A 5.2199 9.2748 128.7204 50.8908 20.7220 174.9327 92 Y 4.7169 8.9722 123.4854 55.6097 41.7058 174.6138 93 V 3.9125 7.2296 126.2508 60.0941 32.5436 175.8749 94 E 3.5146 8.3921 128.6125 59.4270 29.6734 178.8668 95 E 4.0246 7.8887 116.7682 58.9287 29.6205 177.6457 96 L 4.4047 7.4833 114.7696 53.4920 42.0782 175.8250 97 E 3.7695 7.3780 116.8062 56.0741 27.9453 174.2958 98 L 5.0018 7.1612 115.5722 53.9263 44.5929 175.0197 99 F 5.6394 9.3179 118.0407 56.1179 42.6163 173.8000 100 Y 4.7867 9.0993 120.7430 56.1539 40.0517 174.9557 101 V 4.4340 8.0613 124.3128 59.9232 33.1200 174.9698 102 F 4.9914 9.1483 125.0831 54.7684 41.5329 174.2767 103 P 4.3746 0.0000 0.0000 61.9992 31.9506 177.1555 104 V 3.5854 7.8750 114.2345 65.3000 31.3923 178.6828 105 D 4.2987 7.9189 117.5915 56.7739 39.0576 178.7024 106 V 3.6785 7.6511 119.4813 64.8909 31.9745 177.3575 107 F 4.1765 8.5164 120.8720 61.2230 39.1196 177.2550 108 I 3.8628 8.0078 111.8237 63.4388 37.3283 177.7676 109 S 4.1706 8.0509 115.5097 59.4714 62.9873 173.6624 110 Y 4.1641 6.9429 119.9289 57.1253 39.7446 174.0044 111 G 3.6901 9.0933 113.9074 47.0382 0.0000 174.2701 112 S 4.2120 9.4914 116.4753 59.2620 61.2275 175.6111 113 E 4.4292 5.9000 111.8592 56.2710 30.9921 176.5532 114 I 4.0885 8.5600 123.0906 59.7498 39.5547 174.6308 115 H 4.9097 8.9226 125.0232 55.2494 29.8125 174.7247 116 L 4.6908 9.1316 123.7181 52.8237 44.3189 175.5914 117 V 4.2903 8.6225 123.0846 62.0787 33.1254 174.0083 118 E 4.1331 9.6964 130.1469 54.2156 29.6749 178.1194 119 T 3.0963 7.9758 113.6356 63.9172 68.6516 172.1368 120 D 4.6962 8.2771 123.6920 53.6302 40.3417 177.2762 121 K 3.5326 8.3275 118.9945 58.1940 31.1847 177.3708 122 R 3.9875 9.3011 123.8849 57.6072 27.0528 175.1556 123 Q 4.5139 7.4567 114.4338 54.1600 31.7450 173.9997 124 R 3.9268 8.3666 118.7682 56.2544 30.4050 175.9710 125 K 4.3305 8.1977 124.5579 54.4332 33.4905 174.5913 126 P 4.5817 0.0000 0.0000 62.3212 32.3530 177.5151 127 R 4.1325 8.8711 118.9637 59.9352 29.7661 178.5268 128 S 5.0181 8.5857 113.6620 61.5623 63.0366 175.8383 129 F 4.6970 8.5998 124.6359 61.3750 38.8362 176.6842 130 G 3.7644 7.8671 101.7729 45.9099 0.0000 173.3933 131 Y 4.5542 8.1362 118.5711 57.3845 37.4699 175.1106 132 R 3.0736 7.5637 122.1792 56.5877 29.9092 175.9565 133 E 4.1133 8.6764 126.0918 57.3850 29.4402 175.2038 134 A 4.4280 6.9292 117.1109 51.1589 16.7146 179.4241 135 W 4.1833 8.0889 124.0864 59.0931 29.6581 178.0229 136 H 4.4236 8.3201 115.5221 58.4712 27.9811 177.3871 137 L 4.0078 7.4771 121.4537 57.8211 41.3415 179.3010 138 I 3.0845 7.2729 117.9499 63.4718 37.8437 177.4737 139 L 4.0039 7.8845 120.9469 57.9673 41.7975 178.9276 140 Q 4.0972 8.3621 118.4511 58.4464 28.8831 178.0741 141 K 4.0735 8.2852 120.9176 59.4036 32.0583 179.1197 142 G 3.5089 7.9193 105.8643 47.7666 0.0000 175.6488 143 A 4.0258 7.6574 122.7380 54.6658 17.9740 179.6482 144 A 3.9328 8.3056 119.6445 55.3255 18.2839 179.5712 145 Q 3.9878 8.0572 116.7112 58.5219 29.1716 177.7805 146 K 4.0898 7.6380 120.3469 59.4074 32.3087 178.1647 147 E 4.1869 7.6925 117.1441 58.0705 30.7984 178.1208 148 T 4.3871 7.1478 117.7465 60.9817 65.5094 174.6815 149 S 4.2153 7.4454 118.6667 59.0241 62.3620 174.7047 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 0 M 8.29 4.50 0.00 2.04 2.12 0.00 0.00 0.00 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.50 0.00 1 G 7.44 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 2 S 8.76 4.70 0.00 3.93 3.82 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 0.00 0.00 0.00 3 T 8.63 4.10 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 1.48 0.00 0.00 4 K 8.16 4.11 0.00 1.76 1.82 0.00 1.78 0.00 0.00 1.74 0.00 0.00 2.83 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.44 1.07 7.81 5 L 7.73 4.29 0.00 1.73 1.87 0.94 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 6 K 8.31 4.11 0.00 1.96 1.88 0.00 1.79 0.00 0.00 1.80 0.00 0.00 3.11 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.47 1.67 7.81 7 G 8.13 3.68 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 0.00 0.00 0.00 8 D 7.60 4.40 0.00 2.66 2.75 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 0.00 0.00 0.00 9 I 7.72 3.65 1.95 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 1.49 0.76 0.97 0.00 0.00 10 A 7.84 3.66 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 11 Q 8.14 3.92 0.00 2.28 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.75 0.00 0.00 0.00 0.00 0.00 2.39 2.44 0.00 12 Q 8.11 4.02 0.00 2.44 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.58 0.00 0.00 0.00 0.00 0.00 2.38 2.41 0.00 13 A 8.48 3.91 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 A 8.05 3.69 1.45 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 0.00 0.00 15 I 7.79 3.62 2.04 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.91 0.90 0.00 0.00 16 M 8.02 3.87 0.00 2.21 1.99 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.56 0.00 17 R 7.81 3.38 0.00 1.29 0.66 0.00 2.68 0.00 0.00 2.95 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.75 0.00 18 A 7.51 3.33 0.51 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 0.00 0.00 19 L 7.60 3.80 0.00 1.73 1.58 0.86 0.67 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 20 K 7.74 3.70 0.00 1.57 1.54 0.00 1.58 0.00 0.00 1.53 0.00 0.00 2.90 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.20 1.28 7.81 21 M 6.91 3.65 0.00 0.51 0.57 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 1.83 0.00 22 G 7.58 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 23 W 7.20 4.72 0.00 3.28 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 24 G 8.94 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 0.00 0.00 0.00 0.00 25 V 8.15 5.24 2.23 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 0.79 0.00 0.00 1.15 0.00 0.00 26 L 9.60 4.88 0.00 1.59 1.65 0.96 0.62 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 27 K 8.55 5.07 0.00 1.50 1.55 0.00 1.80 0.00 0.00 1.76 0.00 0.00 2.93 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.24 0.96 7.81 28 P 0.00 4.51 0.00 2.07 2.02 0.00 3.78 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.86 0.00 29 L 8.29 4.24 0.00 1.62 1.63 0.93 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 30 G 8.69 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 0.00 0.00 0.00 31 D 8.29 4.93 0.00 2.74 2.70 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.94 4.10 0.00 1.92 2.07 0.00 3.01 0.00 0.00 3.21 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.60 0.00 33 L 7.40 4.21 0.00 1.27 0.87 0.77 0.83 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 34 S 8.31 4.43 0.00 4.20 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 35 Y 6.75 4.88 0.00 3.14 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 36 D 8.72 4.59 0.00 2.54 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 37 L 8.58 5.14 0.00 1.41 1.26 0.97 0.79 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 38 V 8.44 4.65 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 0.99 0.00 0.00 0.93 0.00 0.00 39 F 8.61 5.48 0.00 2.84 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 40 D 9.15 5.00 0.00 2.77 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 41 V 8.47 3.71 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 0.39 0.00 0.00 -0.47 0.00 0.00 42 E 9.71 4.12 0.00 2.11 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 2.30 2.37 0.00 43 G 9.36 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 44 I 7.54 3.99 1.91 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 1.20 0.70 0.86 0.00 0.00 45 L 8.45 4.96 0.00 1.47 1.55 0.91 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 46 L 8.53 4.83 0.00 1.51 1.51 0.89 0.48 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 47 K 9.17 4.24 0.00 1.58 1.28 0.00 1.39 0.00 0.00 1.36 0.00 0.00 2.68 0.00 0.00 2.65 0.00 0.00 0.00 0.00 0.30 0.88 7.81 48 V 8.80 4.70 1.72 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 -0.20 0.00 0.00 0.67 0.00 0.00 49 Q 8.21 4.49 0.00 1.44 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.88 0.00 0.00 0.00 0.00 0.00 1.84 1.94 0.00 50 V 8.67 4.58 2.16 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 0.94 0.00 0.00 0.91 0.00 0.00 51 K 9.37 4.82 0.00 1.67 1.63 0.00 1.52 0.00 0.00 1.64 0.00 0.00 3.29 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.45 1.40 7.81 52 S 8.56 5.23 0.00 3.72 3.82 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 0.00 0.00 0.00 53 S 8.70 4.61 0.00 3.93 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 54 W 8.13 4.96 0.00 3.39 3.40 0.00 0.00 0.00 0.00 0.00 0.00 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 9.17 3.77 0.00 1.89 1.93 0.00 1.93 0.00 0.00 1.76 0.00 0.00 2.99 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.18 1.12 7.81 56 S 7.92 3.92 0.00 4.19 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 57 E 8.39 3.51 0.00 1.99 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 0.00 2.22 2.36 0.00 58 K 8.11 3.96 0.00 1.76 1.74 0.00 1.79 0.00 0.00 1.62 0.00 0.00 2.96 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.43 1.37 7.81 59 T 7.42 4.47 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 1.22 0.00 0.00 60 G 9.94 3.96 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 0.00 0.00 0.00 61 N 7.20 4.88 0.00 2.98 2.77 0.00 0.00 6.06 7.55 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 62 Y 8.88 4.95 0.00 2.91 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 63 V 8.71 5.06 2.28 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 1.17 0.00 0.00 0.83 0.00 0.00 64 V 8.66 4.88 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 0.85 0.00 0.00 0.92 0.00 0.00 65 D 8.83 5.38 0.00 2.73 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 66 N 8.65 4.88 0.00 2.67 2.34 0.00 0.00 5.80 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 67 R 8.53 4.45 0.00 1.82 1.94 0.00 3.28 0.00 0.00 3.31 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.61 0.00 68 R 8.26 4.49 0.00 2.18 2.10 0.00 3.26 0.00 0.00 3.24 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.60 0.00 69 T 7.91 4.15 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 70 R 7.70 4.50 0.00 1.78 1.91 0.00 3.42 0.00 0.00 3.24 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.54 0.00 *83 G 7.94 3.76 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 0.00 0.00 0.00 84 N 7.78 4.81 0.00 2.59 2.62 0.00 0.00 6.99 8.47 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 85 D 8.33 4.22 0.00 2.83 2.70 0.00 0.00 0.00 0.00 0.00 0.00 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 F 6.92 4.98 0.00 3.11 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 87 D 9.17 4.56 0.00 2.82 2.50 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 88 F 8.50 5.35 0.00 2.89 2.71 0.00 0.00 0.00 0.00 0.00 0.00 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 A 9.43 4.62 0.18 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 90 V 8.38 4.66 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 0.17 0.00 0.00 0.83 0.00 0.00 91 A 9.27 5.22 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 Y 8.97 4.72 0.00 2.82 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 93 V 7.23 3.91 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 -0.06 0.00 0.00 0.68 0.00 0.00 94 E 8.39 3.51 0.00 1.88 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 2.45 2.37 0.00 95 E 7.89 4.02 0.00 1.87 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 0.00 2.45 2.43 0.00 96 L 7.48 4.40 0.00 1.39 1.58 0.91 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 97 E 7.38 3.77 0.00 1.99 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 2.28 2.15 0.00 98 L 7.16 5.00 0.00 1.84 1.66 0.79 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 99 F 9.32 5.64 0.00 3.53 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 0.00 100 Y 9.10 4.79 0.00 2.82 2.17 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 0.00 101 V 8.06 4.43 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 0.00 0.00 -0.19 0.00 0.00 0.63 0.00 0.00 102 F 9.15 4.99 0.00 3.02 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 0.00 103 P 0.00 4.37 0.00 2.30 1.79 0.00 3.63 0.00 0.00 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.37 0.00 104 V 7.87 3.59 1.89 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 0.43 0.00 0.00 0.77 0.00 0.00 105 D 7.92 4.30 0.00 2.84 2.89 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 0.00 106 V 7.65 3.68 2.16 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 0.73 0.00 0.00 1.03 0.00 0.00 107 F 8.52 4.18 0.00 3.29 3.33 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 0.00 108 I 8.01 3.86 1.83 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 1.52 0.78 0.92 0.00 0.00 109 S 8.05 4.17 0.00 3.98 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 0.00 110 Y 6.94 4.16 0.00 2.92 2.73 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 0.00 0.00 0.00 111 G 9.09 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 0.00 0.00 0.00 112 S 9.49 4.21 0.00 3.85 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 0.00 113 E 5.90 4.43 0.00 1.93 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 2.40 2.33 0.00 114 I 8.56 4.09 1.49 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 0.13 0.15 0.00 0.00 115 H 8.92 4.91 0.00 3.04 3.31 0.00 5.85 0.00 0.00 0.00 0.00 6.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 L 9.13 4.69 0.00 1.57 1.33 0.78 -0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 117 V 8.62 4.29 2.20 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 0.88 0.00 0.00 1.02 0.00 0.00 118 E 9.70 4.13 0.00 2.27 1.96 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 2.55 2.36 0.00 119 T 7.98 3.10 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 1.27 0.00 0.00 120 D 8.28 4.70 0.00 2.72 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 0.00 121 K 8.33 3.53 0.00 1.88 1.78 0.00 1.92 0.00 0.00 1.76 0.00 0.00 3.24 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.35 1.42 7.81 122 R 9.30 3.99 0.00 1.97 2.08 0.00 3.34 0.00 0.00 3.27 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.55 0.00 123 Q 7.46 4.51 0.00 2.07 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.93 0.00 0.00 0.00 0.00 0.00 2.17 2.26 0.00 124 R 8.37 3.93 0.00 1.78 1.88 0.00 3.24 0.00 0.00 3.23 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.65 0.00 125 K 8.20 4.33 0.00 1.39 1.54 0.00 1.58 0.00 0.00 1.12 0.00 0.00 2.89 0.00 0.00 2.68 0.00 0.00 0.00 0.00 0.30 1.21 7.81 126 P 0.00 4.58 0.00 2.39 2.15 0.00 3.74 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 2.25 2.16 0.00 127 R 8.87 4.13 0.00 2.01 2.23 0.00 3.43 0.00 0.00 3.51 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.82 0.00 128 S 8.59 5.02 0.00 4.46 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 0.00 129 F 8.60 4.70 0.00 3.21 3.38 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.87 3.76 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 0.00 0.00 0.00 131 Y 8.14 4.55 0.00 3.13 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 0.00 132 R 7.56 3.07 0.00 1.07 1.26 0.00 2.98 0.00 0.00 2.80 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 1.08 0.00 133 E 8.68 4.11 0.00 2.00 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 2.29 2.52 0.00 134 A 6.93 4.43 1.30 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 0.00 135 W 8.09 4.18 0.00 3.37 3.35 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 0.00 136 H 8.32 4.42 0.00 3.49 3.64 0.00 5.66 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 137 L 7.48 4.01 0.00 1.86 2.00 1.18 0.64 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 0.00 138 I 7.27 3.08 0.56 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.81 0.57 0.00 0.00 139 L 7.88 4.00 0.00 2.24 1.95 1.03 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 140 Q 8.36 4.10 0.00 2.41 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.56 0.00 0.00 0.00 0.00 0.00 2.43 2.54 0.00 141 K 8.29 4.07 0.00 2.29 2.15 0.00 1.58 0.00 0.00 1.69 0.00 0.00 3.02 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.61 1.58 7.81 142 G 7.92 3.51 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 0.00 0.00 0.00 143 A 7.66 4.03 1.43 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 0.00 0.00 0.00 0.00 0.00 144 A 8.31 3.93 1.39 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 0.00 0.00 145 Q 8.06 3.99 0.00 2.28 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.93 0.00 0.00 0.00 0.00 0.00 2.35 2.35 0.00 146 K 7.64 4.09 0.00 1.85 1.99 0.00 1.85 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.45 1.47 7.81 147 E 7.69 4.19 0.00 2.25 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 2.34 2.35 0.00 148 T 7.15 4.39 4.24 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 1.21 0.00 0.00 149 S 7.45 4.22 0.00 3.76 3.79 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.