NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 75 K 4.2985 8.1727 119.9977 56.3910 34.5436 177.0879 76 E 3.7355 8.2155 122.9414 58.8779 29.3889 176.6818 77 N 4.2432 8.3771 116.9656 56.8276 39.5188 175.7726 78 E 3.9776 8.0205 120.0226 59.4311 29.7087 178.7308 79 I 3.8173 7.7321 119.9000 64.1692 37.0796 178.4642 80 L 4.0407 8.2287 120.4071 57.7719 41.4405 179.6107 81 R 3.9765 8.4637 118.5566 59.3276 29.9983 179.1288 82 R 3.9528 8.0042 118.1529 59.3231 29.8209 178.4462 83 E 4.0591 7.7936 117.6667 59.0519 29.4998 178.9462 84 L 4.2557 7.9974 118.5660 58.0663 41.8506 179.0126 85 D 4.5179 8.2144 117.5658 56.8826 41.2170 179.2111 86 R 4.2534 7.9227 120.5322 55.4407 29.1865 177.1127 *88 R 4.1763 7.7637 109.9120 55.9857 31.1621 175.3977 89 V 4.2958 7.5690 110.5313 59.7545 33.4942 174.4434 90 P 4.4937 0.0000 0.0000 61.8899 31.8591 174.3439 91 P 4.5259 0.0000 0.0000 62.4496 32.2718 175.4700 92 L 4.8538 8.1735 120.6787 53.0054 44.6893 175.8911 93 I 4.2273 8.4556 122.8754 60.6581 39.0861 175.0164 94 V 4.5600 8.3396 125.7734 61.9450 33.4668 174.8648 95 G 4.5096 9.1188 113.6135 45.1479 0.0000 170.8339 96 T 5.2244 8.7564 115.8732 61.1791 71.9579 174.3547 97 V 3.8038 8.7762 127.2066 63.5960 32.0732 176.4434 98 V 3.9629 8.8980 129.1653 64.8025 32.2399 175.5803 99 D 4.5844 7.6024 116.4503 52.5458 42.0713 174.4944 100 K 4.5624 8.7229 121.7601 55.6939 33.3057 176.3806 101 V 4.1516 8.6828 125.4165 63.4591 33.0977 174.9554 102 G 4.2332 7.4354 106.4734 43.6620 0.0000 172.0701 103 E 3.9830 8.8021 118.5980 58.5026 29.9735 177.6531 104 R 4.7960 7.6642 113.6082 55.4017 32.4480 175.0352 105 K 5.1825 8.0472 117.7193 54.9456 36.3543 175.6521 106 V 4.8657 8.7133 115.4842 59.9372 36.9166 173.9919 107 V 4.6606 8.8462 123.6641 61.8462 33.0390 175.1174 108 V 4.8883 8.9681 121.2395 59.4192 35.3585 174.6629 109 K 4.7136 9.2505 126.4451 54.1752 33.3437 175.7888 110 S 4.7502 8.9262 123.7541 58.1689 63.3226 175.1302 111 S 4.3945 8.7726 120.0049 60.1170 62.9753 174.9998 112 T 4.1306 8.0641 111.0511 61.7213 68.4366 173.8809 113 G 3.8274 7.1180 113.6423 45.3677 0.0000 173.1663 114 P 4.3502 0.0000 0.0000 61.9292 32.8858 175.3340 115 S 5.3497 7.9845 114.3590 57.0141 65.5365 173.3619 116 F 5.0140 9.2019 121.1918 55.6172 43.4144 173.7591 117 L 4.9738 8.6898 123.5597 54.1335 42.7832 175.8151 118 V 4.6816 8.8314 119.3300 59.5109 36.3720 174.8716 119 N 5.1332 8.6067 118.7961 52.8736 40.5196 174.3802 120 V 4.6852 8.5231 122.4092 61.0917 32.8104 175.9852 121 S 4.5140 8.8762 123.5058 58.2709 64.0000 175.1018 122 H 4.3644 8.7375 115.8502 57.4611 28.4482 176.4294 123 F 4.4535 7.5346 118.6671 59.1015 38.9661 175.3012 124 V 4.3579 7.6055 120.2245 60.6973 33.8642 174.3752 125 N 4.6900 8.5351 124.9714 51.4752 39.0646 173.5783 126 P 4.2256 0.0000 0.0000 65.9051 31.1946 178.1151 127 D 4.4338 8.2441 117.3312 56.7139 40.8948 176.4962 128 D 4.5655 8.5584 117.5578 54.2868 41.0031 176.4812 129 L 4.4525 7.5034 120.0254 53.0291 41.4446 175.4793 130 A 4.8004 7.9399 125.8479 48.6656 22.3630 173.3684 131 P 4.5775 0.0000 0.0000 64.7937 31.2526 176.6069 132 G 4.0523 9.0261 111.8914 44.9330 0.0000 173.9009 133 K 4.2169 8.1332 120.3513 56.4243 33.2968 176.5805 134 R 4.7838 8.5787 123.5458 55.8692 31.7155 175.8948 135 V 4.9360 9.0424 115.8740 59.8806 36.6968 173.9330 136 C 5.0997 8.9519 120.0478 58.2434 30.3921 172.9686 137 L 5.1505 8.9709 124.0108 52.4579 44.2154 175.6339 138 N 4.6761 8.9875 123.0874 53.9140 39.5413 175.8329 139 Q 4.0797 8.8660 122.7419 58.1389 29.3183 176.7740 140 Q 4.3338 8.4427 117.5278 56.7944 29.7277 176.3496 141 T 4.3218 7.8113 104.2641 60.2379 70.2552 174.4341 142 L 3.6467 8.1070 120.5810 55.4938 40.0000 174.3523 143 T 4.0819 7.4783 114.2821 62.0287 68.8233 173.6764 144 V 4.2276 8.6776 128.3023 63.3892 31.8208 176.4197 145 V 4.5311 8.5258 121.5772 61.7031 33.0082 175.0896 146 D 4.5602 7.5933 118.6701 53.6302 44.5967 173.7993 147 V 4.7644 8.3653 120.6208 60.9596 34.4901 174.2399 148 L 4.7704 8.6017 126.9586 51.9665 43.2387 175.0080 149 P 4.3881 0.0000 0.0000 63.1694 31.0976 176.0461 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 75 K 8.17 4.30 0.00 2.10 2.10 0.00 1.48 0.00 0.00 1.82 0.00 0.00 2.90 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.39 1.44 7.81 76 E 8.22 3.74 0.00 2.18 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 2.37 2.48 0.00 77 N 8.38 4.24 0.00 2.79 2.81 0.00 0.00 6.84 7.65 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 78 E 8.02 3.98 0.00 2.08 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 2.38 2.41 0.00 79 I 7.73 3.82 2.03 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.33 0.92 0.00 0.00 80 L 8.23 4.04 0.00 1.85 1.71 0.91 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 81 R 8.46 3.98 0.00 2.01 2.03 0.00 3.15 0.00 0.00 3.14 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.82 0.00 82 R 8.00 3.95 0.00 1.93 2.08 0.00 3.10 0.00 0.00 3.17 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.68 0.00 83 E 7.79 4.06 0.00 2.11 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 2.50 2.50 0.00 84 L 8.00 4.26 0.00 1.95 2.04 0.89 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 85 D 8.21 4.52 0.00 2.80 2.72 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 86 R 7.92 4.25 0.00 2.04 1.96 0.00 3.31 0.00 0.00 3.28 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.64 0.00 *88 R 7.76 4.18 0.00 1.78 1.98 0.00 2.46 0.00 0.00 2.25 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 1.43 0.00 89 V 7.57 4.30 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 0.76 0.00 0.00 0.95 0.00 0.00 90 P 0.00 4.49 0.00 2.02 1.97 0.00 3.64 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 2.00 2.05 0.00 91 P 0.00 4.53 0.00 2.17 2.03 0.00 3.70 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 1.97 0.00 92 L 8.17 4.85 0.00 1.50 1.57 0.89 0.84 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 93 I 8.46 4.23 1.84 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 1.10 0.86 0.91 0.00 0.00 94 V 8.34 4.56 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 0.97 0.00 0.00 0.93 0.00 0.00 95 G 9.12 4.51 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 96 T 8.76 5.22 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 1.25 0.00 0.00 97 V 8.78 3.80 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 1.00 0.00 0.00 0.95 0.00 0.00 98 V 8.90 3.96 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 0.83 0.00 0.00 1.00 0.00 0.00 99 D 7.60 4.58 0.00 2.70 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 0.00 100 K 8.72 4.56 0.00 1.74 1.75 0.00 1.75 0.00 0.00 1.64 0.00 0.00 3.02 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.59 1.50 7.81 101 V 8.68 4.15 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 0.84 0.00 0.00 0.94 0.00 0.00 102 G 7.44 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 0.00 103 E 8.80 3.98 0.00 1.94 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 2.29 2.33 0.00 104 R 7.66 4.80 0.00 1.83 1.83 0.00 3.10 0.00 0.00 3.15 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.56 0.00 105 K 8.05 5.18 0.00 1.66 1.65 0.00 1.64 0.00 0.00 1.83 0.00 0.00 2.86 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.53 1.44 7.81 106 V 8.71 4.87 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 0.72 0.00 0.00 0.96 0.00 0.00 107 V 8.85 4.66 2.29 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 0.97 0.00 0.00 0.95 0.00 0.00 108 V 8.97 4.89 2.14 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 0.70 0.00 0.00 1.03 0.00 0.00 109 K 9.25 4.71 0.00 1.81 1.72 0.00 1.68 0.00 0.00 1.68 0.00 0.00 2.81 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.40 1.23 7.81 110 S 8.93 4.75 0.00 4.15 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 0.00 111 S 8.77 4.39 0.00 4.05 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 0.00 112 T 8.06 4.13 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 1.23 0.00 0.00 113 G 7.12 3.83 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 0.00 0.00 0.00 114 P 0.00 4.35 0.00 1.59 2.03 0.00 3.79 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.10 0.00 115 S 7.98 5.35 0.00 3.68 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 0.00 116 F 9.20 5.01 0.00 2.96 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 0.00 117 L 8.69 4.97 0.00 1.66 1.64 1.01 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 118 V 8.83 4.68 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 0.81 0.00 0.00 1.04 0.00 0.00 119 N 8.61 5.13 0.00 2.64 2.72 0.00 0.00 6.32 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 0.00 120 V 8.52 4.69 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 0.80 0.00 0.00 0.96 0.00 0.00 121 S 8.88 4.51 0.00 3.83 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 0.00 122 H 8.74 4.36 0.00 3.21 3.32 0.00 5.53 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 F 7.53 4.45 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 0.00 124 V 7.61 4.36 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 0.80 0.00 0.00 1.06 0.00 0.00 125 N 8.54 4.69 0.00 2.85 2.99 0.00 0.00 6.86 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 0.00 126 P 0.00 4.23 0.00 2.26 2.45 0.00 3.76 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.02 0.00 127 D 8.24 4.43 0.00 2.70 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 0.00 128 D 8.56 4.57 0.00 2.71 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 0.00 129 L 7.50 4.45 0.00 1.81 1.65 0.94 0.50 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 0.00 130 A 7.94 4.80 1.21 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 0.00 0.00 0.00 131 P 0.00 4.58 0.00 2.19 2.37 0.00 3.74 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 2.00 1.99 0.00 132 G 9.03 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 0.00 133 K 8.13 4.22 0.00 1.71 1.75 0.00 1.68 0.00 0.00 1.65 0.00 0.00 2.91 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.62 1.83 7.81 134 R 8.58 4.78 0.00 1.77 1.84 0.00 3.07 0.00 0.00 3.34 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.66 0.00 135 V 9.04 4.94 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 0.76 0.00 0.00 0.95 0.00 0.00 136 C 8.95 5.10 0.00 2.82 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 0.00 137 L 8.97 5.15 0.00 1.49 1.49 0.90 0.64 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 0.00 138 N 8.99 4.68 0.00 2.78 2.68 0.00 0.00 6.65 8.11 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 0.00 139 Q 8.87 4.08 0.00 2.17 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.67 0.00 0.00 0.00 0.00 0.00 2.31 2.36 0.00 140 Q 8.44 4.33 0.00 2.19 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.73 0.00 0.00 0.00 0.00 0.00 2.30 2.26 0.00 141 T 7.81 4.32 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 1.19 0.00 0.00 142 L 8.11 3.65 0.00 1.59 1.61 -0.53 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 143 T 7.48 4.08 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 1.23 0.00 0.00 144 V 8.68 4.23 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 0.95 0.00 0.00 0.95 0.00 0.00 145 V 8.53 4.53 2.15 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 0.87 0.00 0.00 1.00 0.00 0.00 146 D 7.59 4.56 0.00 2.64 2.44 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 0.00 147 V 8.37 4.76 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 0.89 0.00 0.00 0.95 0.00 0.00 148 L 8.60 4.77 0.00 1.53 1.57 0.92 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 149 P 0.00 4.39 0.00 2.17 2.04 0.00 3.79 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 1.98 1.96 0.00 * Residues marked with a * may have inaccurate shift predictions.