NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 60 K 4.2692 8.3144 120.1335 55.7926 33.6910 175.2388 61 D 4.3322 8.3544 121.4242 53.7655 41.9938 174.0230 62 E 3.9603 9.3228 126.2090 59.5592 30.5545 178.4043 63 A 4.5591 8.7774 120.0877 53.7734 18.5094 177.5531 64 E 4.5337 8.1945 114.1886 55.7656 30.1431 176.1281 65 K 4.1915 7.0043 118.0438 54.3039 33.6433 176.0573 66 L 3.9454 7.9759 122.1820 55.1330 42.5740 175.8875 67 F 5.4354 8.3983 123.9628 55.4955 41.8132 176.0216 68 N 4.6610 9.2281 121.9671 56.8883 38.5669 177.3355 69 Q 4.0754 8.2326 118.8617 59.5424 28.9118 178.1278 70 D 4.4435 8.4880 121.0686 56.5470 40.8924 178.8126 71 V 3.8753 8.1930 118.5704 66.4442 31.5179 177.7078 72 D 4.4170 8.3826 118.2505 57.2993 40.5332 178.6206 73 A 3.9840 8.2767 121.1983 55.0195 18.3412 179.5894 74 A 3.9240 8.0821 119.2751 55.2255 18.4763 180.0225 75 V 3.3803 7.7594 116.6781 66.1708 31.6261 178.3075 76 R 3.9770 8.3290 118.2678 59.3132 29.6924 179.2137 77 G 3.6216 8.0875 104.4156 47.7636 0.0000 175.4090 78 I 3.8181 7.7347 122.1945 64.2898 36.9470 178.6064 79 L 4.0273 7.7075 118.1177 57.1698 41.3822 178.7765 80 R 4.6481 7.6030 115.7858 54.5821 30.5338 175.2988 81 N 4.8383 7.6468 117.9389 51.4925 40.6536 175.0236 82 A 4.1491 8.6641 128.6068 54.0597 18.6668 177.8767 83 K 4.2826 8.4601 114.6259 57.4924 32.8829 178.0509 84 L 4.6144 8.1803 118.5616 55.9199 43.5046 178.4124 85 K 3.9815 7.9867 118.8832 59.1885 32.1533 176.8703 86 P 4.4208 0.0000 0.0000 65.3803 31.0485 178.9814 87 V 3.6535 7.7403 116.8795 64.8410 31.7398 177.1717 88 Y 4.2962 8.2895 120.5123 60.7799 38.4107 177.9620 89 D 4.4139 8.6314 118.6864 57.5310 40.7893 178.9095 90 S 4.2706 8.2230 114.4371 60.0340 62.9749 174.5249 91 L 4.4164 6.8788 121.9280 53.6432 42.5155 176.6076 92 D 4.5871 8.2647 120.9065 52.7283 41.8596 177.1728 93 A 3.8734 8.3220 121.0137 55.2495 18.1472 180.0766 94 V 3.1861 7.5634 116.1535 66.0698 31.8255 178.4380 95 R 3.7490 8.1436 117.7691 59.0359 29.7043 179.1797 96 R 3.9345 8.2177 118.2249 59.2015 29.9153 178.8014 97 A 3.9945 7.7571 119.8633 55.0717 18.2836 179.4733 98 A 3.5542 7.4069 118.9924 55.0117 18.1991 179.6662 99 L 4.0964 7.6883 118.4788 58.3517 42.2415 179.1108 100 I 3.7330 8.1491 120.1676 64.4195 36.9828 177.7895 101 N 4.2431 8.3691 117.9970 56.9749 38.7663 176.5007 102 M 3.9578 8.1859 119.6202 58.6694 32.2222 178.3556 103 V 3.5513 8.0221 118.4921 65.8226 31.4694 177.6261 104 F 3.9791 8.5337 119.9223 61.3269 39.2624 176.7305 105 Q 4.2538 8.4558 118.3026 58.9403 29.1755 177.0637 106 M 4.5092 8.1993 114.1730 53.8925 32.5431 176.9186 107 G 4.0361 7.9091 105.6925 45.9887 0.0000 174.0260 108 E 3.8749 8.8474 120.3400 59.8209 29.2563 179.5230 109 T 3.9623 7.9338 113.5540 66.5616 68.8579 176.3908 110 G 3.8040 8.0254 107.0469 47.9655 0.0000 175.8274 111 V 3.6518 7.9383 120.9250 65.4118 31.3211 177.7128 112 A 4.2103 8.2392 119.6034 54.1474 18.2775 178.9437 113 G 3.7077 7.8783 102.8798 45.7045 0.0000 173.8885 114 F 4.4313 8.4523 122.4465 57.5089 38.9462 177.6700 115 T 3.8954 7.7900 120.4171 66.7886 68.7590 176.2948 116 N 4.3231 8.0402 117.8721 56.5886 38.6821 177.6133 117 S 4.1833 8.0636 116.0275 61.3312 62.9732 176.5626 118 L 3.8846 8.1794 121.9861 57.6550 41.4888 179.2801 119 R 3.8468 7.9278 118.6113 59.8507 29.8909 178.3217 120 M 3.9596 7.9085 118.1707 58.4182 31.9001 178.7568 121 L 3.9525 7.8976 119.0264 57.9296 41.6041 179.4196 122 Q 4.0344 8.2064 119.9459 58.1666 28.9947 177.3274 123 Q 4.2050 7.4457 116.2435 54.6144 28.9769 175.6255 124 K 2.0000 7.1755 118.1623 57.1034 30.5517 177.7008 125 R 4.0524 7.1381 118.6167 54.5123 26.6830 176.4369 126 W 4.5001 7.1444 123.6378 59.8706 29.7785 177.5706 127 D 4.3798 8.1337 117.1696 57.6486 40.8743 177.9724 128 E 3.9523 8.1986 118.3755 59.2172 29.3927 179.1004 129 A 3.9674 8.2575 120.6813 55.1245 18.4812 179.5514 130 A 4.0370 8.2729 119.3922 55.3457 18.2510 180.0292 131 V 3.5316 7.8226 115.8586 66.1057 31.8850 177.5283 132 N 4.4833 8.4164 116.8908 56.7208 38.9811 176.9021 133 L 4.3170 8.4566 120.5823 57.7512 41.5537 178.8327 134 A 3.7728 7.7241 118.1403 53.3226 18.3745 178.6370 135 K 4.2060 7.7500 116.1653 56.1109 33.1030 177.3073 136 S 4.6009 7.5119 114.4409 57.6067 64.2314 175.3646 137 R 4.0294 8.8663 120.7451 59.2731 29.8443 178.7441 138 W 4.6720 8.6945 127.6524 60.9939 30.4686 177.0314 139 Y 3.3012 8.2586 118.9723 60.8183 38.0358 178.0607 140 N 4.4724 8.0350 115.0327 55.9034 38.6197 177.3674 141 Q 4.2597 8.1113 119.6554 57.8900 30.3814 177.1338 142 T 4.4928 7.3143 109.7818 58.3951 68.5938 172.4009 143 P 3.3721 0.0000 0.0000 65.3665 31.9525 178.4615 144 N 4.1144 7.7421 115.9547 56.1252 38.5117 177.0491 145 R 3.7977 7.7020 119.1983 59.4368 30.2877 178.2132 146 A 3.5517 7.6874 120.7744 54.7864 18.1437 179.4866 147 K 4.1269 7.9997 118.4682 59.6071 32.1979 179.3514 148 R 3.7889 7.7743 117.9808 59.1683 29.8850 179.1419 149 V 3.6875 8.0890 118.1323 66.1291 31.4823 178.1089 150 I 4.1101 8.5244 119.9749 64.9070 37.0075 178.4786 151 T 3.9193 8.1289 116.5383 66.9225 68.1946 176.8266 152 T 3.8691 7.9551 117.5731 66.6539 68.2622 176.6511 153 F 4.2741 8.0495 118.6379 60.7363 39.0090 177.4797 154 R 4.1701 8.3132 117.8839 58.8681 30.0312 177.6753 155 T 4.2810 7.7280 107.1861 60.2627 70.0959 175.0005 156 G 3.5884 7.7361 109.0307 46.2542 0.0000 173.0028 157 T 4.4622 7.2852 107.9025 59.2491 71.6712 173.2635 158 W 4.9748 8.3939 119.3365 57.0202 29.6441 178.1720 159 D 4.4563 8.3546 121.5077 57.7925 40.1929 178.7546 160 A 4.2696 8.0270 117.5220 53.4333 18.6747 177.1241 161 Y 4.5541 8.8527 113.3812 57.4114 38.5001 175.7575 162 K 4.3561 7.5188 118.6454 55.1917 33.9628 175.4459 *171 M 3.6755 8.0651 119.3403 55.4934 32.7786 174.1286 172 D 4.1262 6.7370 117.3719 51.5963 42.0137 176.2055 173 I 3.6574 8.2460 117.9098 64.2170 37.7070 177.5253 174 F 3.8255 8.1730 120.9948 61.3657 39.3843 176.9243 175 E 3.9496 8.7347 118.4732 59.2227 29.1361 178.9520 176 M 3.5119 7.8682 118.6174 58.6497 32.2731 178.4011 177 L 3.7328 7.5860 118.9092 57.4156 41.4779 179.3636 178 R 3.6402 7.8459 119.2014 59.3636 29.7022 178.6766 179 I 3.7300 7.4115 118.2099 64.6947 37.2809 177.9854 180 D 4.5386 7.9930 118.2100 57.3479 40.6971 178.4341 181 E 4.1096 8.5375 119.0950 57.1538 29.5387 177.1961 182 G 4.1650 7.6712 111.9006 45.9385 0.0000 173.1396 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 60 K 8.31 4.27 0.00 1.75 1.79 0.00 1.68 0.00 0.00 1.81 0.00 0.00 2.87 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.33 1.42 7.81 61 D 8.35 4.33 0.00 2.85 2.56 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 62 E 9.32 3.96 0.00 2.11 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 0.00 2.45 2.31 0.00 63 A 8.78 4.56 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 64 E 8.19 4.53 0.00 2.04 1.92 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 2.26 2.39 0.00 65 K 7.00 4.19 0.00 1.62 1.61 0.00 1.88 0.00 0.00 1.63 0.00 0.00 2.94 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.36 1.53 7.81 66 L 7.98 3.95 0.00 1.36 1.38 0.60 -0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 67 F 8.40 5.44 0.00 3.36 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 68 N 9.23 4.66 0.00 2.94 2.92 0.00 0.00 6.86 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 69 Q 8.23 4.08 0.00 2.35 2.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.69 0.00 0.00 0.00 0.00 0.00 2.45 2.49 0.00 70 D 8.49 4.44 0.00 3.21 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 71 V 8.19 3.88 2.46 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 1.17 0.00 0.00 1.08 0.00 0.00 72 D 8.38 4.42 0.00 2.97 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 73 A 8.28 3.98 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 74 A 8.08 3.92 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 75 V 7.76 3.38 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 0.91 0.00 0.00 1.00 0.00 0.00 76 R 8.33 3.98 0.00 2.02 1.96 0.00 3.18 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.83 0.00 77 G 8.09 3.62 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 0.00 0.00 0.00 78 I 7.73 3.82 1.75 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 1.49 0.95 0.56 0.00 0.00 79 L 7.71 4.03 0.00 1.56 1.70 0.88 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 80 R 7.60 4.65 0.00 1.92 1.92 0.00 3.14 0.00 0.00 3.14 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.65 0.00 81 N 7.65 4.84 0.00 2.96 2.63 0.00 0.00 7.11 8.16 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 82 A 8.66 4.15 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 83 K 8.46 4.28 0.00 1.96 1.89 0.00 1.66 0.00 0.00 1.88 0.00 0.00 2.97 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.47 1.41 7.81 84 L 8.18 4.61 0.00 1.89 1.67 0.92 0.84 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 85 K 7.99 3.98 0.00 2.13 1.84 0.00 1.83 0.00 0.00 1.91 0.00 0.00 3.20 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.74 1.59 7.81 86 P 0.00 4.42 0.00 2.23 2.11 0.00 3.71 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.17 0.00 87 V 7.74 3.65 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 0.87 0.00 0.00 1.05 0.00 0.00 88 Y 8.29 4.30 0.00 3.13 3.22 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 89 D 8.63 4.41 0.00 2.87 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 90 S 8.22 4.27 0.00 4.10 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 0.00 91 L 6.88 4.42 0.00 1.73 1.61 1.15 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 92 D 8.26 4.59 0.00 2.78 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 93 A 8.32 3.87 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 94 V 7.56 3.19 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 -0.07 0.00 0.00 0.67 0.00 0.00 95 R 8.14 3.75 0.00 1.79 2.01 0.00 2.68 0.00 0.00 2.67 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.51 0.00 96 R 8.22 3.93 0.00 1.93 1.93 0.00 2.80 0.00 0.00 2.30 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 1.49 0.00 97 A 7.76 3.99 1.38 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 0.00 0.00 98 A 7.41 3.55 0.16 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 99 L 7.69 4.10 0.00 2.16 2.05 1.07 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 100 I 8.15 3.73 2.05 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.69 0.97 0.00 0.00 101 N 8.37 4.24 0.00 2.79 2.95 0.00 0.00 6.89 8.41 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 0.00 102 M 8.19 3.96 0.00 2.13 2.08 0.00 0.00 0.00 0.00 0.00 0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.94 0.00 103 V 8.02 3.55 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 1.07 0.00 0.00 0.97 0.00 0.00 104 F 8.53 3.98 0.00 3.10 3.23 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 0.00 105 Q 8.46 4.25 0.00 2.36 2.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.51 0.00 0.00 0.00 0.00 0.00 2.52 2.53 0.00 106 M 8.20 4.51 0.00 2.19 2.18 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.54 0.00 107 G 7.91 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 0.00 108 E 8.85 3.87 0.00 2.03 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 2.38 2.42 0.00 109 T 7.93 3.96 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 1.22 0.00 0.00 110 G 8.03 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 0.00 0.00 0.00 111 V 7.94 3.65 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 0.99 0.00 0.00 0.83 0.00 0.00 112 A 8.24 4.21 1.38 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 0.00 0.00 113 G 7.88 3.71 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 0.00 0.00 0.00 114 F 8.45 4.43 0.00 3.12 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 0.00 115 T 7.79 3.90 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 1.21 0.00 0.00 116 N 8.04 4.32 0.00 2.73 2.86 0.00 0.00 7.13 7.54 0.00 0.00 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 S 8.06 4.18 0.00 3.97 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 0.00 118 L 8.18 3.88 0.00 1.69 1.72 1.03 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 119 R 7.93 3.85 0.00 1.96 2.15 0.00 3.08 0.00 0.00 3.14 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.66 0.00 120 M 7.91 3.96 0.00 2.21 2.21 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.77 2.54 0.00 121 L 7.90 3.95 0.00 1.85 1.84 0.24 0.93 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 0.00 122 Q 8.21 4.03 0.00 2.11 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 7.01 0.00 0.00 0.00 0.00 0.00 2.35 2.27 0.00 123 Q 7.45 4.20 0.00 2.06 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.55 0.00 0.00 0.00 0.00 0.00 2.27 2.40 0.00 124 K 7.18 2.00 0.00 1.43 1.04 0.00 1.62 0.00 0.00 1.80 0.00 0.00 3.14 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.19 1.17 7.81 125 R 7.14 4.05 0.00 1.80 1.90 0.00 3.02 0.00 0.00 3.12 7.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.59 0.00 126 W 7.14 4.50 0.00 3.37 3.27 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 0.00 127 D 8.13 4.38 0.00 2.86 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 0.00 128 E 8.20 3.95 0.00 2.02 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 2.39 2.37 0.00 129 A 8.26 3.97 1.40 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 0.00 0.00 130 A 8.27 4.04 1.49 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 0.00 0.00 131 V 7.82 3.53 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 0.82 0.00 0.00 0.99 0.00 0.00 132 N 8.42 4.48 0.00 3.00 2.84 0.00 0.00 7.24 6.18 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 0.00 133 L 8.46 4.32 0.00 1.92 2.15 0.87 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 134 A 7.72 3.77 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 135 K 7.75 4.21 0.00 1.94 1.88 0.00 1.71 0.00 0.00 1.75 0.00 0.00 3.05 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.41 1.58 7.81 136 S 7.51 4.60 0.00 4.47 4.41 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 0.00 137 R 8.87 4.03 0.00 2.01 2.15 0.00 3.19 0.00 0.00 3.31 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.77 0.00 138 W 8.69 4.67 0.00 3.64 3.58 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 0.00 139 Y 8.26 3.30 0.00 3.24 3.08 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 0.00 140 N 8.04 4.47 0.00 2.84 2.92 0.00 0.00 7.15 7.50 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 0.00 141 Q 8.11 4.26 0.00 2.24 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 7.19 0.00 0.00 0.00 0.00 0.00 2.45 2.56 0.00 142 T 7.31 4.49 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 1.20 0.00 0.00 143 P 0.00 3.37 0.00 1.91 1.90 0.00 3.68 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 1.87 1.75 0.00 144 N 7.74 4.11 0.00 2.63 2.79 0.00 0.00 6.80 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 0.00 145 R 7.70 3.80 0.00 1.83 1.95 0.00 3.23 0.00 0.00 3.43 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.78 0.00 146 A 7.69 3.55 0.05 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 0.00 0.00 147 K 8.00 4.13 0.00 1.93 1.92 0.00 1.69 0.00 0.00 1.63 0.00 0.00 2.95 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.45 1.58 7.81 148 R 7.77 3.79 0.00 1.97 1.40 0.00 2.21 0.00 0.00 2.72 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 1.60 0.00 149 V 8.09 3.69 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 1.21 0.00 0.00 1.20 0.00 0.00 150 I 8.52 4.11 2.12 0.00 0.00 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 1.94 1.10 1.07 0.00 0.00 151 T 8.13 3.92 4.40 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 1.21 0.00 0.00 152 T 7.96 3.87 4.20 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 0.68 0.00 0.00 153 F 8.05 4.27 0.00 3.26 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 0.00 154 R 8.31 4.17 0.00 2.00 2.12 0.00 3.29 0.00 0.00 3.35 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.92 0.00 155 T 7.73 4.28 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 1.20 0.00 0.00 156 G 7.74 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 0.00 157 T 7.29 4.46 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 1.17 0.00 0.00 158 W 8.39 4.97 0.00 3.47 3.23 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 0.00 159 D 8.35 4.46 0.00 2.74 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 0.00 160 A 8.03 4.27 1.13 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 0.00 0.00 0.00 161 Y 8.85 4.55 0.00 3.11 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 0.00 162 K 7.52 4.36 0.00 1.88 1.78 0.00 1.90 0.00 0.00 1.78 0.00 0.00 2.99 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.44 1.65 7.81 *171 M 8.07 3.68 0.00 0.51 1.21 0.00 0.00 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.23 0.00 172 D 6.74 4.13 0.00 2.78 2.59 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 0.00 173 I 8.25 3.66 1.96 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.17 0.98 0.00 0.00 174 F 8.17 3.83 0.00 3.13 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 0.00 175 E 8.73 3.95 0.00 1.76 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 2.44 2.37 0.00 176 M 7.87 3.51 0.00 1.98 1.75 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 1.18 2.08 0.00 177 L 7.59 3.73 0.00 1.30 1.04 0.12 0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 178 R 7.85 3.64 0.00 1.62 1.94 0.00 3.07 0.00 0.00 3.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.59 0.00 179 I 7.41 3.73 2.17 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 1.55 0.72 1.01 0.00 0.00 180 D 7.99 4.54 0.00 2.66 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 0.00 181 E 8.54 4.11 0.00 1.85 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 2.36 2.38 0.00 182 G 7.67 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 * Residues marked with a * may have inaccurate shift predictions.