NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 23 P 4.3714 0.0000 0.0000 62.0676 31.8804 175.4208 24 L 3.6241 8.2451 127.9920 56.2753 41.9053 176.1678 25 F 4.5195 8.4771 115.6983 56.5902 41.5646 174.7464 26 D 4.4925 8.8394 125.3585 54.4837 41.4461 176.8871 27 N 5.0214 8.7945 123.1196 53.5092 37.9663 175.6148 28 S 4.6068 8.3972 112.7532 57.4248 63.1837 173.5479 29 I 4.3393 7.7627 121.1311 60.3801 39.2642 175.4208 30 T 3.9073 8.4948 124.2859 64.0889 69.8736 174.6276 31 S 3.8688 8.7544 118.7773 61.7852 62.0945 176.7363 32 K 3.9787 7.9014 120.5027 59.2479 32.3023 178.2274 33 D 4.4956 7.9064 118.9531 57.2457 40.9824 178.0311 34 K 3.8618 8.7979 121.0965 59.9493 31.9971 178.2191 35 E 3.9802 7.9654 119.0647 58.9548 29.4825 179.0861 36 V 3.5509 8.1791 118.9866 65.9580 31.5662 177.6234 37 I 3.5240 7.8629 118.9971 64.7729 36.7421 177.6027 38 E 3.9060 7.9006 117.8164 60.0896 29.6451 179.6728 39 T 3.9206 7.7873 115.2048 66.6417 68.5465 176.4667 40 L 3.6970 7.7642 120.9434 57.8896 41.6511 179.5901 41 S 4.0831 8.1240 114.2228 61.5645 62.4124 176.5150 42 E 3.7161 7.9897 122.5087 58.9770 29.4384 178.2722 43 I 3.4941 7.2798 119.2881 65.1855 37.1525 176.7908 44 Y 4.2124 8.7381 119.5365 61.2698 38.3140 178.2388 45 S 3.9590 8.5571 113.1349 61.7500 62.6483 176.7937 46 I 3.7148 8.0804 122.6194 64.4906 36.9388 178.0100 47 V 3.5360 7.9548 118.8647 66.6359 30.8573 178.1359 48 I 3.6053 7.3794 111.7497 64.1941 37.3271 178.3062 49 T 3.7786 7.5153 117.4869 66.2937 68.3655 175.8583 50 L 3.8251 8.3862 122.4426 58.5809 42.0856 178.2648 51 D 4.3972 8.1084 117.4328 58.0077 41.0620 178.3623 52 H 4.0217 8.0398 115.5780 58.9127 28.7815 177.5583 53 V 3.5881 7.6915 119.8523 66.3028 31.0803 177.3367 54 E 4.1621 8.0639 117.2527 59.5247 29.7757 178.5522 55 K 4.0408 7.9964 117.7048 59.7174 32.3333 178.8425 56 A 4.0261 8.5059 121.1274 55.7600 18.0663 179.0930 57 Y 4.0719 8.1945 117.6144 60.2460 38.6442 176.9332 58 L 4.2823 7.7323 117.4036 54.8471 42.1381 177.0954 59 K 4.4436 7.3697 118.2290 55.7541 32.9595 178.6995 60 D 4.6355 7.2858 119.4451 55.6857 40.6829 175.7934 61 S 4.1916 8.1112 115.2019 61.1883 62.8737 174.6489 62 I 4.4238 7.5466 117.9845 59.5208 39.6589 174.3241 63 D 5.0682 8.1557 124.2044 52.9305 44.5166 176.9957 64 D 4.4803 8.9797 124.7107 57.7123 40.1368 179.2411 65 T 3.8028 7.9918 109.3600 65.4676 68.2674 175.1690 66 Q 3.8403 8.2104 120.9249 58.4000 28.8219 178.1525 67 Y 4.1227 8.2058 119.9686 61.5315 38.7854 178.9108 68 T 3.5631 8.0365 116.2173 67.0144 68.4958 175.7174 69 N 4.3141 7.8217 118.5446 55.3370 38.3521 176.9870 70 T 3.7888 7.8325 110.1658 65.3966 68.8920 176.2245 71 V 3.2892 7.5789 121.4773 65.2563 31.4113 177.0019 72 D 4.2497 7.6809 117.6424 57.4313 40.9001 178.3565 73 K 3.7911 8.3213 119.9907 59.6858 32.0812 178.2366 74 L 3.9720 8.1629 119.2366 58.0745 41.4360 179.3046 75 L 3.9046 8.2149 118.9032 58.1276 41.7252 178.8556 76 K 4.0765 8.3548 119.6389 59.4771 32.3752 178.4208 77 Q 3.9698 8.2542 118.4966 59.7839 28.7770 178.7930 78 F 4.1070 8.5971 120.3007 61.9460 39.1942 176.7966 79 K 3.8072 8.4724 117.4503 59.8047 31.7870 179.1789 80 V 3.4228 7.3814 117.0147 66.1174 31.5551 177.0651 81 Y 4.2064 7.3874 114.9226 61.1542 38.0293 178.7469 82 L 4.0706 7.5126 118.8892 57.7657 41.6226 179.2066 83 N 4.5943 7.8701 114.0321 52.7818 39.3197 175.5053 84 S 4.3181 7.2970 115.3147 57.6108 63.3828 174.0178 85 Q 4.0825 8.6003 123.7542 59.4490 28.8270 177.6776 86 N 4.9364 7.7191 116.1438 51.8356 36.9885 174.2180 87 K 4.1735 8.0228 122.8808 58.1908 33.4946 178.0072 88 E 3.9852 8.1967 117.7781 60.0869 29.9544 178.9926 89 E 4.0259 8.3274 117.2741 60.0576 29.5329 178.6026 90 I 3.7456 7.9353 118.3593 64.0321 37.0056 177.3274 91 N 4.2827 8.5531 119.8116 56.2979 38.9182 176.4949 92 K 3.8910 8.7060 118.0763 59.8572 32.0442 177.0686 93 H 4.1956 6.1079 118.2425 56.4306 30.9293 175.3165 94 F 5.0472 7.7793 118.9834 55.8086 40.2162 175.3636 95 Q 4.7961 7.7729 119.6249 54.8765 29.6161 176.9182 96 S 4.2336 8.8381 113.8058 60.2619 64.6915 175.3147 97 I 3.9129 8.5514 126.7644 64.7845 36.9804 178.2217 98 E 3.9309 8.3025 118.2144 60.0236 29.4133 178.1332 99 A 4.4119 8.3067 121.0683 54.6176 18.1221 178.8006 100 F 4.4073 8.5919 119.2964 60.4702 39.3911 177.3850 101 C 4.0317 8.0654 114.4659 61.8121 28.0929 174.7196 102 D 4.6389 9.1476 121.3263 57.0060 41.2075 178.7666 103 T 3.7888 7.6272 115.6096 65.1896 68.5401 173.1580 104 Y 4.5691 6.7839 117.1108 55.5886 40.1256 175.3793 105 N 4.4733 8.6971 121.4745 53.7698 37.6875 174.3204 106 I 4.6095 8.0156 123.2546 59.8557 40.8580 175.0175 107 T 4.5268 8.4856 121.8693 61.8972 70.9530 175.4427 108 A 4.7351 8.1845 130.3401 49.4342 19.5660 177.2622 109 S 4.1973 8.1477 118.8484 61.8355 63.4732 176.4871 110 N 4.4569 8.2838 118.5538 55.9330 38.6224 176.6827 111 A 3.9376 8.8014 122.3822 55.7850 18.3745 179.8009 112 I 3.9139 7.8115 117.5278 64.5432 37.1452 178.5774 113 T 4.0717 8.2206 116.9578 65.9512 68.4028 177.0428 114 R 3.9704 7.7864 119.2231 59.0544 30.1828 177.5359 115 L 3.9546 8.1959 120.5003 57.5673 42.2782 178.1614 116 E 4.1371 7.9790 119.6110 57.3726 29.6094 177.1070 117 R 4.4484 7.3454 119.0083 54.5676 31.1580 176.3420 118 G 4.0508 8.4389 117.8700 44.5546 0.0000 173.1515 119 I 4.3636 7.1472 109.6612 59.1557 40.1181 172.4621 120 P 4.5057 0.0000 0.0000 65.5955 32.1706 177.5494 121 I 3.8328 7.8367 120.2633 62.7518 37.3653 176.9238 122 T 3.3114 7.9462 111.9294 64.4136 66.2596 171.8410 *123 A 4.1104 7.9301 128.9645 52.4993 18.8971 177.2392 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 23 P 0.00 4.37 0.00 2.21 2.18 0.00 3.73 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 1.88 1.97 0.00 24 L 8.25 3.62 0.00 1.64 1.47 0.23 0.38 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 25 F 8.48 4.52 0.00 3.14 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 26 D 8.84 4.49 0.00 2.81 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 27 N 8.79 5.02 0.00 2.76 2.84 0.00 0.00 6.89 7.57 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 28 S 8.40 4.61 0.00 3.92 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 29 I 7.76 4.34 2.09 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 1.49 0.98 0.92 0.00 0.00 30 T 8.49 3.91 4.50 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 1.21 0.00 0.00 31 S 8.75 3.87 0.00 3.83 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 32 K 7.90 3.98 0.00 1.78 1.82 0.00 1.99 0.00 0.00 1.71 0.00 0.00 3.06 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.42 1.52 7.81 33 D 7.91 4.50 0.00 3.08 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 34 K 8.80 3.86 0.00 1.63 1.85 0.00 1.53 0.00 0.00 1.56 0.00 0.00 3.03 0.00 0.00 2.82 0.00 0.00 0.00 0.00 0.98 0.91 7.81 35 E 7.97 3.98 0.00 2.05 2.05 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 2.31 2.31 0.00 36 V 8.18 3.55 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 1.00 0.00 0.00 1.04 0.00 0.00 37 I 7.86 3.52 2.09 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.56 0.88 0.00 0.00 38 E 7.90 3.91 0.00 2.17 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 2.55 0.00 39 T 7.79 3.92 4.37 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 1.20 0.00 0.00 40 L 7.76 3.70 0.00 1.55 1.40 -0.08 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 41 S 8.12 4.08 0.00 3.98 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 42 E 7.99 3.72 0.00 1.77 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 0.00 0.00 0.00 1.50 2.05 0.00 43 I 7.28 3.49 1.75 0.00 0.00 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.43 0.80 0.00 0.00 44 Y 8.74 4.21 0.00 3.03 3.07 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 45 S 8.56 3.96 0.00 3.99 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 46 I 8.08 3.71 2.15 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 1.49 0.75 0.99 0.00 0.00 47 V 7.95 3.54 2.13 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 1.05 0.00 0.00 1.19 0.00 0.00 48 I 7.38 3.61 1.67 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.19 0.16 0.00 0.00 49 T 7.52 3.78 4.49 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 1.19 0.00 0.00 50 L 8.39 3.83 0.00 1.70 1.83 0.83 1.28 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 51 D 8.11 4.40 0.00 2.82 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 52 H 8.04 4.02 0.00 3.41 3.36 0.00 5.71 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 V 7.69 3.59 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 1.06 0.00 0.00 0.99 0.00 0.00 54 E 8.06 4.16 0.00 2.11 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 2.42 2.55 0.00 55 K 8.00 4.04 0.00 2.02 1.84 0.00 1.63 0.00 0.00 1.58 0.00 0.00 3.02 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.45 1.56 7.81 56 A 8.51 4.03 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.19 4.07 0.00 3.14 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 58 L 7.73 4.28 0.00 1.76 1.63 0.95 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 59 K 7.37 4.44 0.00 1.89 1.70 0.00 1.78 0.00 0.00 1.63 0.00 0.00 2.86 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.30 1.33 7.81 60 D 7.29 4.64 0.00 2.71 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 61 S 8.11 4.19 0.00 3.83 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 62 I 7.55 4.42 1.98 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 1.50 0.92 1.14 0.00 0.00 63 D 8.16 5.07 0.00 2.77 2.54 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 0.00 0.00 0.00 0.00 64 D 8.98 4.48 0.00 3.00 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 65 T 7.99 3.80 4.28 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 1.24 0.00 0.00 66 Q 8.21 3.84 0.00 2.37 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.86 0.00 0.00 0.00 0.00 0.00 2.50 2.43 0.00 67 Y 8.21 4.12 0.00 2.97 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 68 T 8.04 3.56 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 1.20 0.00 0.00 69 N 7.82 4.31 0.00 2.76 2.73 0.00 0.00 6.67 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 70 T 7.83 3.79 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 1.19 0.00 0.00 71 V 7.58 3.29 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 0.73 0.00 0.00 0.08 0.00 0.00 72 D 7.68 4.25 0.00 2.97 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 73 K 8.32 3.79 0.00 1.89 1.92 0.00 1.69 0.00 0.00 1.64 0.00 0.00 2.98 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.43 1.48 7.81 74 L 8.16 3.97 0.00 1.84 1.71 0.89 0.46 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 75 L 8.21 3.90 0.00 1.68 1.69 0.91 0.63 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 76 K 8.35 4.08 0.00 2.04 1.85 0.00 1.71 0.00 0.00 1.63 0.00 0.00 2.94 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.43 1.61 7.81 77 Q 8.25 3.97 0.00 2.42 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.44 0.00 0.00 0.00 0.00 0.00 2.41 2.59 0.00 78 F 8.60 4.11 0.00 3.19 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 79 K 8.47 3.81 0.00 2.08 1.86 0.00 1.77 0.00 0.00 1.73 0.00 0.00 3.09 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.50 1.73 7.81 80 V 7.38 3.42 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 0.60 0.00 0.00 0.87 0.00 0.00 81 Y 7.39 4.21 0.00 2.94 2.84 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 82 L 7.51 4.07 0.00 1.52 1.58 0.75 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 83 N 7.87 4.59 0.00 2.69 2.79 0.00 0.00 7.09 8.04 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 84 S 7.30 4.32 0.00 4.01 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 85 Q 8.60 4.08 0.00 2.03 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 7.26 0.00 0.00 0.00 0.00 0.00 2.33 2.32 0.00 86 N 7.72 4.94 0.00 2.76 2.77 0.00 0.00 7.17 7.61 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 87 K 8.02 4.17 0.00 1.98 1.77 0.00 1.76 0.00 0.00 1.81 0.00 0.00 2.87 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.44 1.47 7.81 88 E 8.20 3.99 0.00 2.12 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 0.00 2.41 2.43 0.00 89 E 8.33 4.03 0.00 2.02 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 0.00 2.43 2.40 0.00 90 I 7.94 3.75 2.13 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 1.47 0.68 0.84 0.00 0.00 91 N 8.55 4.28 0.00 2.77 2.92 0.00 0.00 6.46 6.90 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 92 K 8.71 3.89 0.00 1.79 1.75 0.00 2.06 0.00 0.00 1.68 0.00 0.00 2.90 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.38 1.62 7.81 93 H 6.11 4.20 0.00 3.08 2.05 0.00 5.67 0.00 0.00 0.00 0.00 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 F 7.78 5.05 0.00 3.07 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 95 Q 7.77 4.80 0.00 2.10 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.54 6.82 0.00 0.00 0.00 0.00 0.00 2.38 2.85 0.00 96 S 8.84 4.23 0.00 3.92 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 97 I 8.55 3.91 2.07 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 1.74 1.87 1.13 0.00 0.00 98 E 8.30 3.93 0.00 2.20 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 0.00 2.35 2.48 0.00 99 A 8.31 4.41 1.46 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 0.00 0.00 0.00 0.00 0.00 0.00 100 F 8.59 4.41 0.00 3.32 3.36 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 0.00 101 C 8.07 4.03 0.00 3.15 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 0.00 102 D 9.15 4.64 0.00 2.56 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 0.00 103 T 7.63 3.79 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 1.12 0.00 0.00 104 Y 6.78 4.57 0.00 2.56 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 0.00 105 N 8.70 4.47 0.00 2.72 2.85 0.00 0.00 6.81 7.45 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 0.00 106 I 8.02 4.61 2.24 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 1.71 0.70 0.91 0.00 0.00 107 T 8.49 4.53 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 1.21 0.00 0.00 108 A 8.18 4.74 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 0.00 109 S 8.15 4.20 0.00 3.85 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 0.00 110 N 8.28 4.46 0.00 2.98 2.86 0.00 0.00 7.00 7.81 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 0.00 111 A 8.80 3.94 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 0.00 112 I 7.81 3.91 1.88 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 1.54 1.30 0.98 0.00 0.00 113 T 8.22 4.07 4.37 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 1.22 0.00 0.00 114 R 7.79 3.97 0.00 2.11 2.01 0.00 3.89 0.00 0.00 3.12 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.69 0.00 115 L 8.20 3.95 0.00 1.49 1.48 -0.23 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 116 E 7.98 4.14 0.00 1.99 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 0.00 2.37 2.40 0.00 117 R 7.35 4.45 0.00 1.77 2.04 0.00 3.26 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 1.71 1.55 0.00 118 G 8.44 4.05 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 0.00 119 I 7.15 4.36 1.87 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 1.47 0.38 0.91 0.00 0.00 120 P 0.00 4.51 0.00 2.18 1.95 0.00 3.49 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.97 0.00 121 I 7.84 3.83 1.91 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 1.54 0.86 0.97 0.00 0.00 122 T 7.95 3.31 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 *123 A 7.93 4.11 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 * Residues marked with a * may have inaccurate shift predictions.