NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 59 V 4.0069 7.9085 120.3950 62.8303 33.7881 175.1437 60 A 3.9360 7.7425 123.9546 51.6350 19.1788 171.5519 61 V 4.0773 8.6142 120.3022 64.0691 33.5840 174.5144 62 S 4.6986 7.8089 112.1090 56.4567 64.7341 173.1958 63 A 4.3960 8.5152 127.7957 51.9804 19.4295 176.4168 64 D 4.6297 7.7796 118.3925 52.4118 40.8502 175.0322 65 P 4.6259 0.0000 0.0000 63.9178 31.4279 176.9793 66 N 4.4842 7.9508 116.9898 55.6209 38.9938 175.7211 67 V 3.7646 7.4585 118.6535 61.3285 31.8836 173.8819 68 P 4.3196 0.0000 0.0000 63.3592 31.6287 175.6688 69 N 4.5428 9.0823 120.8924 55.9162 40.1300 174.4686 70 V 4.9142 7.8425 117.1139 60.9359 34.4475 175.1743 71 V 4.2864 8.8228 127.1478 60.9812 34.1191 174.6512 72 V 4.1535 8.4267 129.5238 62.7443 31.2073 175.5302 73 T 4.1393 8.8183 119.9962 63.6191 70.4647 174.7084 74 G 4.0570 7.1143 106.5848 45.3451 0.0000 171.9487 75 L 5.1455 7.8225 122.0198 53.2680 45.1075 175.3700 76 T 4.9052 8.9753 122.3484 61.7078 72.7106 173.1187 77 L 4.8444 8.3743 126.3724 53.3591 42.6063 177.2372 78 V 3.8384 8.6797 126.3526 62.3929 31.5908 174.1660 79 C 4.9211 8.2866 127.6813 57.5069 33.8998 174.3615 80 S 4.1886 9.1151 123.3990 61.9070 62.6734 176.4479 81 S 4.1165 8.0888 114.4470 60.8385 62.9237 174.8726 82 A 2.5800 6.9664 122.3105 51.4600 18.1752 175.5220 83 P 4.2926 0.0000 0.0000 63.2255 32.0658 175.6291 84 G 4.0091 6.9625 106.6008 44.0596 0.0000 170.5043 85 P 4.4099 0.0000 0.0000 62.7970 32.7264 176.0358 86 L 4.1930 7.8114 117.2542 53.7079 41.4873 175.2985 87 E 5.0301 7.9107 118.4606 54.2778 33.1867 175.4931 88 L 4.4781 8.8872 126.0889 52.9392 44.9921 175.2650 89 D 4.7652 8.5562 123.1904 52.8610 41.4425 176.1803 90 L 4.4464 8.2607 124.4905 55.7504 41.4963 178.1245 91 T 4.1955 8.1044 108.8919 62.2831 69.9151 175.5653 92 G 3.8943 7.3622 113.0718 44.7561 0.0000 173.0867 93 D 4.3389 8.3767 121.7654 53.6716 40.3099 177.9493 94 L 3.9436 8.2631 128.1739 57.4303 41.6573 179.6019 95 E 3.7783 7.6072 118.4990 58.8230 28.9110 179.1022 96 S 4.1637 7.6191 115.0260 61.0426 62.7903 176.4421 97 F 4.6020 7.1553 120.5492 60.1825 38.4434 177.4671 98 K 4.2289 7.8126 116.1821 58.1999 31.9080 177.5352 99 K 4.4448 7.6870 115.7281 56.0423 33.2563 175.7465 100 Q 4.6060 7.7148 118.1545 54.8064 30.8651 174.0464 101 S 4.8051 8.0168 111.4055 57.6886 65.5816 173.3833 102 F 5.3976 9.0034 123.1140 55.8901 41.2143 174.7905 103 V 4.6174 8.7458 124.4710 62.1186 32.6696 174.8803 104 L 4.5809 8.6078 128.7639 52.8520 45.5051 175.5063 105 K 4.2448 6.5670 126.6740 55.4730 33.1057 176.1670 106 E 4.0198 7.8460 124.1220 57.4189 29.9288 177.1509 107 G 4.0923 8.6253 112.0305 45.5345 0.0000 174.5647 108 V 3.8216 7.1775 112.3965 62.1620 32.6814 175.8774 109 E 4.9583 8.8777 123.7986 56.5235 30.4920 175.3315 110 Y 5.0263 8.4134 119.6089 56.5703 41.9598 173.1961 111 R 4.8707 8.8088 118.7959 54.4654 34.7020 174.6936 112 I 4.8527 8.5024 121.4159 59.6400 39.8079 174.7926 113 K 4.7541 9.1912 129.8136 54.9316 33.9056 174.9705 114 I 4.7559 8.7336 129.7436 59.8317 39.2516 174.9418 115 S 5.1540 8.7333 124.8753 57.2751 64.3590 173.6563 116 F 5.2660 8.6931 119.1187 55.1662 41.8467 173.2020 117 R 4.7779 9.3004 120.8436 54.5632 32.8547 174.3818 118 V 4.7587 8.6107 125.9162 61.9051 33.2093 175.2737 119 N 4.4873 9.7081 126.4108 55.2831 39.4651 177.2749 120 R 4.4525 8.1897 114.5208 56.7346 32.8586 175.8573 121 E 4.8419 8.0252 116.4931 53.8486 33.3221 175.3952 122 I 4.0908 8.5149 124.8927 61.6968 38.0991 175.4719 123 V 4.3566 8.9411 127.3437 61.3551 33.6670 174.5536 124 S 4.7166 8.8315 124.2964 58.4126 64.7336 172.1329 125 G 3.7018 8.5646 115.0725 45.3831 0.0000 172.0631 *127 K 4.0233 8.1370 120.8803 56.1005 34.1285 173.4759 128 Y 5.1142 8.6453 128.8205 56.2707 40.5657 174.0734 129 I 4.7891 8.2933 128.1606 59.4722 40.3991 174.7203 130 E 4.7365 8.8757 124.7013 54.8439 33.4295 174.3064 131 H 5.1720 8.9410 121.8547 54.4887 31.3477 173.3231 132 T 4.9809 8.4472 120.9346 62.5951 70.6762 173.8472 133 Y 5.0402 9.1913 122.1568 56.1665 42.3854 174.2995 134 R 4.6214 8.7216 123.2063 55.1022 33.1619 175.7230 135 K 3.6176 9.8610 124.9321 57.4077 30.0525 174.4907 136 G 4.1593 8.7169 107.1343 45.3931 0.0000 174.8747 137 V 4.2313 7.5472 118.7011 60.5939 32.8724 174.8304 138 K 3.8557 8.4410 127.9651 56.3594 32.2539 176.0086 139 I 4.2512 7.9559 120.2482 61.8264 39.4285 175.5186 140 D 4.8023 7.6535 120.0974 52.1627 45.2142 174.2696 141 K 4.8640 8.4304 121.9056 54.9163 35.4950 175.8429 142 T 4.4164 8.9277 121.4329 61.9845 72.2287 173.1442 143 D 5.0519 8.4891 125.9275 53.3695 42.9543 175.9132 144 Y 4.4707 8.2482 119.5495 57.5386 42.4428 177.2937 *146 V 3.2712 8.6998 121.0728 62.1127 33.2877 176.0150 147 G 3.7584 8.1721 104.0007 44.2418 0.0000 171.5658 148 S 5.3551 7.7635 114.1057 56.7789 64.0304 173.8737 149 Y 4.5628 8.5109 121.8074 56.0901 41.3113 175.9008 150 G 4.4513 8.8548 111.6180 44.2738 0.0000 171.2318 151 P 4.8653 0.0000 0.0000 63.2858 31.9110 175.8013 152 R 4.6296 8.7189 118.2688 56.5783 33.5252 174.8417 153 A 4.0738 8.6197 125.6652 54.9275 18.8347 178.3801 154 E 3.9778 7.6619 115.3148 55.7631 30.3471 176.0053 155 E 4.0412 8.1948 122.7903 56.3738 31.0287 175.2784 156 Y 4.4956 8.3671 118.5798 56.4089 40.6691 174.6024 157 E 4.9139 8.5199 120.8622 54.6102 32.5584 174.8634 158 F 5.0343 9.4540 127.8898 56.4842 41.7197 174.0724 159 L 4.7750 7.8289 125.8938 52.7645 43.3745 176.6210 160 T 3.8514 7.7085 114.8592 60.0999 69.8031 172.6407 161 P 4.4222 0.0000 0.0000 62.0756 32.1315 176.1113 162 V 3.6561 8.1047 118.9336 63.5294 32.0470 174.6457 163 E 4.8060 8.8775 125.5500 54.5257 33.8694 174.3256 164 E 5.2782 8.3915 118.7002 54.3957 33.2635 175.9886 165 A 4.5754 9.1932 125.1645 51.0646 19.4444 175.5815 166 P 4.4790 0.0000 0.0000 62.8113 32.8012 174.9855 167 K 4.5205 8.5277 122.1400 54.7150 35.0065 175.0071 168 G 4.0331 9.2202 110.7084 44.5529 0.0000 177.6894 *170 L 4.2310 8.5408 124.2654 53.9204 43.1410 176.9758 171 A 4.5545 7.8422 119.7695 52.6262 19.5781 177.5182 172 R 4.3426 7.9585 115.3812 55.3966 31.1808 176.2103 173 G 4.0045 8.0178 108.0887 43.2988 0.0000 172.0980 174 S 4.9124 8.0984 116.5798 58.4658 63.5321 173.8827 175 Y 4.8903 9.2867 121.7428 56.1882 42.0769 174.4869 176 S 5.0424 9.0084 114.8284 56.7339 66.0705 172.5889 177 I 4.8128 8.6057 127.4846 59.3581 40.3124 174.7517 178 K 4.7532 8.9503 126.2969 55.0786 33.7285 175.4630 179 S 4.8376 8.4813 121.8743 57.0970 65.2851 173.8951 180 R 5.0330 8.3636 120.9244 54.4911 34.0556 173.8333 181 F 5.1103 9.4472 126.7149 57.1575 41.1656 174.3419 182 T 5.3262 8.5585 121.1562 61.3060 71.2191 170.4017 183 D 5.1174 7.9439 117.1808 53.4252 41.3297 174.8606 184 D 4.4223 8.1818 117.6516 57.1945 39.4197 176.9644 185 D 4.7526 8.6789 118.3164 53.2099 41.1451 176.7539 186 K 4.0740 7.8343 116.0042 56.6328 30.5065 175.8468 187 T 3.9220 7.3372 114.5595 63.8053 68.8944 173.8061 188 D 4.7541 8.2870 125.8520 52.8986 39.9440 176.1988 189 H 4.3427 8.8376 121.9145 57.3396 29.4785 176.0553 190 L 4.9022 6.9173 118.3233 54.8689 46.1768 173.0856 191 S 5.5527 9.1926 121.3675 56.7068 66.3475 173.0776 192 W 5.5449 9.0411 120.1534 55.3190 32.3721 173.1089 193 E 5.3594 9.2359 120.4518 54.3661 31.8412 174.1914 194 W 5.4122 9.4858 123.2795 54.9197 32.6672 173.4680 195 N 5.3849 8.8194 116.0526 51.3040 41.8873 173.6854 196 L 5.2690 8.6786 123.7478 53.8490 45.4579 175.1629 197 T 5.1108 9.0572 124.3468 62.0255 70.8345 173.9572 198 I 4.6406 8.6762 129.0738 60.5570 38.3695 175.6129 199 K 4.7711 8.4524 126.3511 54.1460 35.2838 177.9117 200 K 4.1458 8.6414 121.6287 58.7494 31.5602 176.1113 201 D 4.8430 7.4914 115.8954 51.6614 44.9306 176.3590 202 W 4.3184 8.8104 119.5667 59.3691 29.2099 176.5954 203 K 4.0375 7.4642 120.0355 57.2689 33.0142 173.8445 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 59 V 7.91 4.01 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 1.04 0.00 0.00 0.96 0.00 0.00 60 A 7.74 3.94 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 61 V 8.61 4.08 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 0.78 0.00 0.00 0.95 0.00 0.00 62 S 7.81 4.70 0.00 3.83 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 63 A 8.52 4.40 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 64 D 7.78 4.63 0.00 2.72 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 65 P 0.00 4.63 0.00 2.24 2.16 0.00 3.82 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.00 0.00 66 N 7.95 4.48 0.00 2.96 2.93 0.00 0.00 6.96 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 67 V 7.46 3.76 2.24 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 0.79 0.00 0.00 0.99 0.00 0.00 68 P 0.00 4.32 0.00 2.46 2.11 0.00 3.84 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.00 0.00 69 N 9.08 4.54 0.00 2.89 2.93 0.00 0.00 6.61 7.71 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 70 V 7.84 4.91 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 0.92 0.00 0.00 0.88 0.00 0.00 71 V 8.82 4.29 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 0.81 0.00 0.00 0.98 0.00 0.00 72 V 8.43 4.15 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 0.42 0.00 0.00 0.86 0.00 0.00 73 T 8.82 4.14 4.15 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 0.00 0.00 0.00 1.20 0.00 0.00 74 G 7.11 4.06 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 0.00 0.00 0.00 0.00 0.00 0.00 75 L 7.82 5.15 0.00 1.52 1.18 0.79 0.63 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 76 T 8.98 4.91 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 1.14 0.00 0.00 77 L 8.37 4.84 0.00 1.18 1.49 1.03 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 78 V 8.68 3.84 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 0.88 0.00 0.00 79 C 8.29 4.92 0.00 3.10 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 80 S 9.12 4.19 0.00 3.91 3.91 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 81 S 8.09 4.12 0.00 4.20 4.15 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 0.00 0.00 0.00 0.00 82 A 6.97 2.58 0.94 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 83 P 0.00 4.29 0.00 2.01 1.96 0.00 3.01 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.53 0.00 84 G 6.96 4.01 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 0.00 0.00 0.00 85 P 0.00 4.41 0.00 2.15 2.01 0.00 3.68 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.97 0.00 86 L 7.81 4.19 0.00 1.27 1.00 0.79 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 87 E 7.91 5.03 0.00 1.82 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 0.00 2.07 2.19 0.00 88 L 8.89 4.48 0.00 1.10 0.68 0.40 -0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 89 D 8.56 4.77 0.00 2.74 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 90 L 8.26 4.45 0.00 1.28 1.32 -0.55 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 91 T 8.10 4.20 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 1.16 0.00 0.00 92 G 7.36 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 0.00 0.00 0.00 93 D 8.38 4.34 0.00 2.59 2.41 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 94 L 8.26 3.94 0.00 1.77 1.75 1.07 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 95 E 7.61 3.78 0.00 2.24 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 0.00 2.29 2.46 0.00 96 S 7.62 4.16 0.00 3.62 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 97 F 7.16 4.60 0.00 3.15 3.14 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 98 K 7.81 4.23 0.00 1.93 1.90 0.00 1.67 0.00 0.00 1.71 0.00 0.00 3.14 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.54 1.50 7.81 99 K 7.69 4.44 0.00 1.74 1.83 0.00 1.68 0.00 0.00 1.71 0.00 0.00 2.97 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.38 1.37 7.81 100 Q 7.71 4.61 0.00 2.30 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.62 0.00 0.00 0.00 0.00 0.00 2.39 2.48 0.00 101 S 8.02 4.81 0.00 3.88 3.75 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 0.00 102 F 9.00 5.40 0.00 3.34 2.95 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 0.00 0.00 0.00 0.00 103 V 8.75 4.62 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 0.77 0.00 0.00 1.04 0.00 0.00 104 L 8.61 4.58 0.00 1.69 1.26 0.95 -0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 105 K 6.57 4.24 0.00 0.79 0.74 0.00 1.50 0.00 0.00 1.68 0.00 0.00 2.81 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.18 1.32 7.81 106 E 7.85 4.02 0.00 2.16 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 2.46 2.06 0.00 107 G 8.63 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 0.00 108 V 7.18 3.82 2.30 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 0.86 0.00 0.00 1.14 0.00 0.00 109 E 8.88 4.96 0.00 1.92 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 0.00 2.33 2.35 0.00 110 Y 8.41 5.03 0.00 3.13 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 0.00 111 R 8.81 4.87 0.00 1.73 1.72 0.00 2.99 0.00 0.00 3.23 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.50 0.00 112 I 8.50 4.85 1.90 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.33 1.03 0.00 0.00 113 K 9.19 4.75 0.00 1.69 1.67 0.00 1.51 0.00 0.00 1.67 0.00 0.00 2.76 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.28 1.31 7.81 114 I 8.73 4.76 2.00 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 -0.06 0.58 0.00 0.00 115 S 8.73 5.15 0.00 3.73 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 0.00 116 F 8.69 5.27 0.00 2.82 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 0.00 117 R 9.30 4.78 0.00 1.79 1.80 0.00 3.02 0.00 0.00 3.03 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.43 0.00 118 V 8.61 4.76 2.60 0.00 0.00 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 0.00 0.00 1.30 0.00 0.00 119 N 9.71 4.49 0.00 2.83 2.86 0.00 0.00 6.36 8.25 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 0.00 120 R 8.19 4.45 0.00 1.69 1.96 0.00 3.18 0.00 0.00 3.34 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.61 0.00 121 E 8.03 4.84 0.00 1.94 1.80 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 2.21 2.41 0.00 122 I 8.51 4.09 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 1.28 0.69 0.93 0.00 0.00 123 V 8.94 4.36 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 1.02 0.00 0.00 1.07 0.00 0.00 124 S 8.83 4.72 0.00 3.81 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 0.00 125 G 8.56 3.70 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 0.00 0.00 0.00 *127 K 8.14 4.02 0.00 1.76 1.59 0.00 1.81 0.00 0.00 1.69 0.00 0.00 2.84 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.31 1.55 7.81 128 Y 8.65 5.11 0.00 3.22 3.04 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 0.00 129 I 8.29 4.79 1.66 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.40 0.71 0.00 0.00 130 E 8.88 4.74 0.00 1.92 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 2.28 2.08 0.00 131 H 8.94 5.17 0.00 3.32 3.17 0.00 5.80 0.00 0.00 0.00 0.00 6.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 132 T 8.45 4.98 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 0.00 133 Y 9.19 5.04 0.00 2.93 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 0.00 134 R 8.72 4.62 0.00 1.82 1.68 0.00 2.79 0.00 0.00 2.25 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 1.43 0.00 135 K 9.86 3.62 0.00 1.81 1.78 0.00 1.71 0.00 0.00 1.66 0.00 0.00 2.91 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.27 1.31 7.81 136 G 8.72 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 0.00 137 V 7.55 4.23 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 0.92 0.00 0.00 0.94 0.00 0.00 138 K 8.44 3.86 0.00 0.98 1.43 0.00 1.35 0.00 0.00 0.86 0.00 0.00 2.88 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.10 1.06 7.81 139 I 7.96 4.25 1.86 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.85 0.94 0.00 0.00 140 D 7.65 4.80 0.00 2.70 2.40 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 0.00 141 K 8.43 4.86 0.00 1.48 1.52 0.00 1.62 0.00 0.00 1.55 0.00 0.00 2.53 0.00 0.00 2.71 0.00 0.00 0.00 0.00 0.85 1.21 7.81 142 T 8.93 4.42 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 0.70 0.00 0.00 143 D 8.49 5.05 0.00 2.42 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 0.00 144 Y 8.25 4.47 0.00 3.23 3.03 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 0.00 0.00 0.00 *146 V 8.70 3.27 1.69 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 0.58 0.00 0.00 -0.07 0.00 0.00 147 G 8.17 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 0.00 148 S 7.76 5.36 0.00 3.62 3.73 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 0.00 149 Y 8.51 4.56 0.00 2.90 2.42 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 0.00 150 G 8.85 4.45 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 0.00 151 P 0.00 4.87 0.00 2.15 2.03 0.00 3.89 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 2.05 2.16 0.00 152 R 8.72 4.63 0.00 1.76 1.56 0.00 2.21 0.00 0.00 2.71 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.37 0.00 153 A 8.62 4.07 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 0.00 154 E 7.66 3.98 0.00 1.79 1.59 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 2.09 2.16 0.00 155 E 8.19 4.04 0.00 1.93 1.77 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 2.10 2.14 0.00 156 Y 8.37 4.50 0.00 1.43 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 0.00 0.00 0.00 0.00 157 E 8.52 4.91 0.00 1.75 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 2.10 2.14 0.00 158 F 9.45 5.03 0.00 3.35 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 0.00 159 L 7.83 4.77 0.00 1.31 1.30 0.85 0.81 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 0.00 160 T 7.71 3.85 3.75 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 0.53 0.00 0.00 161 P 0.00 4.42 0.00 2.24 2.15 0.00 3.94 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 2.18 2.12 0.00 162 V 8.10 3.66 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 0.79 0.00 0.00 0.90 0.00 0.00 163 E 8.88 4.81 0.00 1.16 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 2.31 2.35 0.00 164 E 8.39 5.28 0.00 1.80 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 2.21 2.25 0.00 165 A 9.19 4.58 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 0.00 166 P 0.00 4.48 0.00 2.13 2.15 0.00 3.57 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.68 0.00 167 K 8.53 4.52 0.00 1.76 1.70 0.00 1.75 0.00 0.00 1.71 0.00 0.00 2.91 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.30 1.40 7.81 168 G 9.22 4.03 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 0.00 0.00 0.00 0.00 0.00 0.00 *170 L 8.54 4.23 0.00 1.67 1.80 0.92 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 171 A 7.84 4.55 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 0.00 172 R 7.96 4.34 0.00 1.83 1.88 0.00 3.39 0.00 0.00 3.34 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.63 0.00 173 G 8.02 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 174 S 8.10 4.91 0.00 3.72 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 0.00 175 Y 9.29 4.89 0.00 2.97 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 0.00 176 S 9.01 5.04 0.00 3.82 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 0.00 177 I 8.61 4.81 0.56 0.00 0.00 -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 0.90 0.25 0.88 0.00 0.00 178 K 8.95 4.75 0.00 1.81 1.74 0.00 1.61 0.00 0.00 1.60 0.00 0.00 2.78 0.00 0.00 2.35 0.00 0.00 0.00 0.00 1.24 1.12 7.81 179 S 8.48 4.84 0.00 2.72 3.32 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 0.00 180 R 8.36 5.03 0.00 1.58 1.74 0.00 3.06 0.00 0.00 3.06 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.44 0.00 181 F 9.45 5.11 0.00 3.65 3.20 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 0.00 182 T 8.56 5.33 4.19 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 0.00 0.00 0.00 1.19 0.00 0.00 183 D 7.94 5.12 0.00 3.10 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 0.00 184 D 8.18 4.42 0.00 2.77 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 0.00 185 D 8.68 4.75 0.00 2.78 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 0.00 186 K 7.83 4.07 0.00 1.92 1.86 0.00 1.65 0.00 0.00 1.54 0.00 0.00 2.99 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.34 1.32 7.81 187 T 7.34 3.92 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 1.14 0.00 0.00 188 D 8.29 4.75 0.00 2.77 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 0.00 189 H 8.84 4.34 0.00 3.67 3.55 0.00 5.79 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 190 L 6.92 4.90 0.00 2.00 1.90 0.76 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 191 S 9.19 5.55 0.00 3.88 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 0.00 192 W 9.04 5.54 0.00 3.60 3.34 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 0.00 193 E 9.24 5.36 0.00 2.01 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 2.25 2.29 0.00 194 W 9.49 5.41 0.00 3.38 3.15 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 0.00 0.00 0.00 0.00 195 N 8.82 5.38 0.00 2.84 2.74 0.00 0.00 6.18 6.74 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 0.00 196 L 8.68 5.27 0.00 1.58 1.38 1.11 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 197 T 9.06 5.11 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 1.26 0.00 0.00 198 I 8.68 4.64 2.14 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 1.30 0.95 0.92 0.00 0.00 199 K 8.45 4.77 0.00 1.65 1.63 0.00 1.69 0.00 0.00 1.59 0.00 0.00 2.78 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.35 1.34 7.81 200 K 8.64 4.15 0.00 1.69 1.80 0.00 1.53 0.00 0.00 0.61 0.00 0.00 2.99 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.40 1.59 7.81 201 D 7.49 4.84 0.00 2.68 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 0.00 202 W 8.81 4.32 0.00 3.29 3.29 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 0.00 203 K 7.46 4.04 0.00 1.78 1.71 0.00 1.78 0.00 0.00 1.80 0.00 0.00 3.14 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.25 1.28 7.81 * Residues marked with a * may have inaccurate shift predictions.