NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 75 K 4.2534 8.1727 121.7879 56.4534 34.4591 177.6148 76 E 3.7702 8.1395 119.0966 58.9905 29.4964 177.1644 77 N 4.3596 8.9058 117.2269 56.1291 39.1086 176.7235 78 E 3.9775 7.9914 119.8775 59.2677 29.5401 179.1760 79 I 3.7834 7.8238 120.0168 64.2657 37.1210 178.4468 80 L 3.9870 8.1827 120.0899 57.8246 41.3279 179.8300 81 R 3.9182 8.3184 118.3949 58.9525 29.9310 179.0462 82 R 3.8568 7.9360 118.4753 59.4528 29.9109 178.3675 83 E 3.9329 8.1411 117.2661 59.3061 29.5445 178.9018 84 L 4.0700 7.8881 119.1740 58.1799 42.6461 178.0210 85 D 4.5348 8.3611 118.3265 57.3596 40.8983 179.5936 86 R 4.2174 7.7715 116.0056 56.5643 30.1370 178.0004 *88 R 4.3349 8.0110 119.2505 56.0264 32.1647 176.9419 89 V 3.7954 7.3727 110.6527 60.2720 32.0495 174.3959 90 P 4.4252 0.0000 0.0000 61.9163 31.8945 174.3290 91 P 4.5808 0.0000 0.0000 62.4115 32.4900 174.9299 92 L 4.8635 7.9956 118.1593 53.0417 43.8800 176.5625 93 I 4.0781 8.5173 124.3472 60.9927 38.7870 175.1081 94 V 4.4793 8.4153 126.5624 62.1865 33.2485 174.9501 95 G 4.4987 9.3173 114.1088 45.1504 0.0000 170.8043 96 T 5.1936 8.8331 115.6891 61.2144 72.3422 174.2952 97 V 3.8308 8.8820 127.1478 63.6428 32.0611 176.2334 98 V 3.8317 9.0797 129.2204 64.8113 31.9231 175.3621 99 D 4.7228 7.6214 117.9894 53.0647 44.5688 173.9535 100 K 4.5282 8.6554 124.5101 55.9972 33.0329 176.9721 101 V 4.2887 8.6803 121.5286 62.8650 33.4628 174.8610 102 G 4.2069 7.6155 105.8896 44.2051 0.0000 172.3092 103 E 4.1459 8.9161 118.1554 59.0969 29.6409 178.8793 104 R 4.8134 7.8229 116.8785 55.4863 31.7656 175.4438 105 K 5.1819 7.9590 116.7170 55.1542 36.7313 176.0077 106 V 4.9475 8.6849 115.9715 60.1152 37.0880 173.6450 107 V 4.7204 9.3222 123.8076 61.7254 33.1655 175.1482 108 V 4.9229 8.8939 120.6437 59.4308 35.8594 174.3559 109 K 4.8497 9.0706 126.1500 54.9131 33.8639 175.4200 110 S 5.1123 8.7884 123.0627 56.9937 64.7756 175.6699 111 S 4.3999 8.7346 116.9010 60.8627 62.7198 175.4650 112 T 4.0228 7.2872 110.4572 62.2027 68.3864 173.8742 113 G 3.8828 7.7445 114.3313 45.5414 0.0000 173.3547 114 P 4.3582 0.0000 0.0000 61.7470 32.5554 175.0748 115 S 5.2050 7.8176 114.1321 57.0072 65.1011 173.8492 116 F 4.9217 9.2166 120.5815 55.7042 43.5837 173.5302 117 L 4.9310 8.6763 123.3736 54.1040 42.9140 175.8757 118 V 4.6767 8.7476 118.9419 59.4554 36.4535 174.9782 119 N 5.1052 8.6091 119.0245 53.1208 40.3662 174.1616 120 V 4.7337 7.8677 120.6885 60.7494 33.4945 175.7253 121 S 4.2847 9.1021 123.4218 58.7141 63.5223 175.4280 122 H 4.1402 8.7034 118.6552 58.6436 28.5669 176.3822 123 F 4.4603 7.5893 115.2077 57.7198 39.0590 175.2971 124 V 4.2435 7.5977 121.5555 60.8045 32.9550 174.8144 125 N 4.5833 8.6053 125.8689 51.9791 38.2573 173.5342 126 P 4.0821 0.0000 0.0000 65.1644 31.3584 178.0050 127 D 4.4122 7.9299 118.4253 57.0995 40.8831 177.0762 128 D 4.5398 8.7642 117.7085 55.1280 40.9384 175.8039 129 L 4.6285 7.3400 120.3880 52.8252 43.3063 175.7459 130 A 4.6658 8.2103 125.0025 49.6174 22.1542 173.3285 131 P 4.5721 0.0000 0.0000 64.8915 31.3693 176.6260 132 G 3.9849 9.2755 110.7146 44.9308 0.0000 173.7370 133 K 4.1388 7.9308 122.1587 56.4550 33.5914 176.0641 134 R 4.7609 8.6128 126.3532 55.9559 31.4731 175.9086 135 V 4.9092 9.1188 116.7222 59.7301 36.3577 174.0402 136 C 5.2073 9.2204 119.7503 58.1448 30.5341 173.1401 137 L 5.1605 8.8324 123.7624 52.4150 44.6632 175.5290 138 N 4.4425 8.8641 122.6836 53.7692 39.2311 175.5067 139 Q 4.0448 8.9723 127.4801 59.0741 29.4767 177.2468 140 Q 4.1286 8.2875 117.7380 57.9931 29.4215 176.1240 141 T 4.2347 8.1578 105.0634 60.5712 69.8304 174.9579 142 L 3.6439 8.3943 120.9309 55.4622 40.0303 174.5320 143 T 4.1036 7.3354 116.4807 63.6824 69.7694 173.8001 144 V 4.1732 8.9918 126.6785 63.3548 31.9951 176.4297 145 V 4.4016 8.2933 121.0647 61.1429 32.9513 175.1347 146 D 4.4814 7.4576 118.3325 53.6525 44.4986 174.1206 147 V 4.7809 8.3599 122.0226 60.9815 33.7214 175.1972 148 L 4.4709 8.9023 128.0704 53.2178 42.7568 175.3880 149 P 4.3926 0.0000 0.0000 63.2480 31.1746 176.2025 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 4.25 0.00 1.80 1.87 0.00 1.69 0.00 0.00 1.81 0.00 0.00 2.89 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.40 1.43 7.81 76 E 8.14 3.77 0.00 2.15 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 2.37 2.46 0.00 77 N 8.91 4.36 0.00 2.77 2.85 0.00 0.00 7.13 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 78 E 7.99 3.98 0.00 2.14 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 2.39 2.39 0.00 79 I 7.82 3.78 2.00 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 1.52 0.81 0.91 0.00 0.00 80 L 8.18 3.99 0.00 1.81 1.71 0.92 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 81 R 8.32 3.92 0.00 2.02 1.97 0.00 3.12 0.00 0.00 3.17 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.63 0.00 82 R 7.94 3.86 0.00 2.02 2.10 0.00 3.14 0.00 0.00 3.15 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.71 0.00 83 E 8.14 3.93 0.00 2.11 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 2.34 2.56 0.00 84 L 7.89 4.07 0.00 1.69 1.84 0.92 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 85 D 8.36 4.53 0.00 2.92 2.79 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 86 R 7.77 4.22 0.00 1.95 1.93 0.00 3.24 0.00 0.00 3.29 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.81 0.00 *88 R 8.01 4.33 0.00 1.89 2.03 0.00 3.21 0.00 0.00 3.22 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.72 0.00 89 V 7.37 3.80 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 0.70 0.00 0.00 1.00 0.00 0.00 90 P 0.00 4.43 0.00 2.16 2.04 0.00 3.74 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 1.97 1.93 0.00 91 P 0.00 4.58 0.00 2.19 2.09 0.00 3.72 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 2.08 1.97 0.00 92 L 8.00 4.86 0.00 1.52 1.59 0.91 0.86 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 8.52 4.08 1.83 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.49 0.91 0.00 0.00 94 V 8.42 4.48 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 9.32 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 0.00 0.00 0.00 0.00 96 T 8.83 5.19 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 1.26 0.00 0.00 97 V 8.88 3.83 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 0.90 0.00 0.00 0.99 0.00 0.00 98 V 9.08 3.83 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 0.77 0.00 0.00 0.96 0.00 0.00 99 D 7.62 4.72 0.00 2.81 2.43 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 0.00 100 K 8.66 4.53 0.00 1.79 1.72 0.00 1.74 0.00 0.00 1.80 0.00 0.00 2.74 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.43 1.43 7.81 101 V 8.68 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 0.79 0.00 0.00 0.94 0.00 0.00 102 G 7.62 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 0.00 0.00 0.00 0.00 103 E 8.92 4.15 0.00 1.97 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 2.32 2.34 0.00 104 R 7.82 4.81 0.00 1.68 1.85 0.00 3.42 0.00 0.00 3.34 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.58 0.00 105 K 7.96 5.18 0.00 1.65 1.64 0.00 1.65 0.00 0.00 1.83 0.00 0.00 2.99 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.54 1.46 7.81 106 V 8.68 4.95 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 0.66 0.00 0.00 0.95 0.00 0.00 107 V 9.32 4.72 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 0.88 0.00 0.00 0.94 0.00 0.00 108 V 8.89 4.92 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 0.71 0.00 0.00 1.10 0.00 0.00 109 K 9.07 4.85 0.00 1.81 1.69 0.00 1.62 0.00 0.00 1.71 0.00 0.00 2.90 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.37 1.36 7.81 110 S 8.79 5.11 0.00 4.04 4.10 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 0.00 0.00 0.00 111 S 8.73 4.40 0.00 4.03 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 0.00 112 T 7.29 4.02 4.31 0.00 0.00 0.00 0.00 0.00 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 0.00 113 G 7.74 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 0.00 0.00 0.00 114 P 0.00 4.36 0.00 1.53 2.01 0.00 3.75 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.02 0.00 115 S 7.82 5.20 0.00 3.64 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 9.22 4.92 0.00 2.94 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 0.00 117 L 8.68 4.93 0.00 1.66 1.63 0.94 0.89 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 0.00 118 V 8.75 4.68 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 0.69 0.00 0.00 1.00 0.00 0.00 119 N 8.61 5.11 0.00 2.63 2.70 0.00 0.00 6.24 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 7.87 4.73 2.07 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 0.80 0.00 0.00 0.93 0.00 0.00 121 S 9.10 4.28 0.00 4.01 4.10 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 0.00 0.00 0.00 122 H 8.70 4.14 0.00 2.79 3.12 0.00 5.69 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 F 7.59 4.46 0.00 3.16 3.09 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 0.00 124 V 7.60 4.24 2.22 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 0.77 0.00 0.00 1.03 0.00 0.00 125 N 8.61 4.58 0.00 2.78 3.01 0.00 0.00 6.93 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 4.08 0.00 2.26 2.32 0.00 3.75 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.02 0.00 127 D 7.93 4.41 0.00 2.73 2.77 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 0.00 0.00 0.00 128 D 8.76 4.54 0.00 2.73 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 0.00 129 L 7.34 4.63 0.00 1.70 1.60 0.93 0.81 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 0.00 130 A 8.21 4.67 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 4.57 0.00 2.19 2.39 0.00 3.75 0.00 0.00 3.66 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 9.28 3.98 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 0.00 0.00 0.00 0.00 0.00 0.00 133 K 7.93 4.14 0.00 2.12 1.69 0.00 1.52 0.00 0.00 1.65 0.00 0.00 3.13 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.69 1.48 7.81 134 R 8.61 4.76 0.00 1.78 1.85 0.00 3.29 0.00 0.00 3.49 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.61 0.00 135 V 9.12 4.91 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 0.75 0.00 0.00 0.98 0.00 0.00 136 C 9.22 5.21 0.00 2.91 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 8.83 5.16 0.00 1.46 1.50 0.91 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 138 N 8.86 4.44 0.00 2.75 2.66 0.00 0.00 6.59 6.76 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 0.00 139 Q 8.97 4.04 0.00 2.17 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.79 0.00 0.00 0.00 0.00 0.00 2.31 2.33 0.00 140 Q 8.29 4.13 0.00 2.02 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.61 0.00 0.00 0.00 0.00 0.00 2.28 2.31 0.00 141 T 8.16 4.23 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 8.39 3.64 0.00 1.55 1.57 -0.47 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 143 T 7.34 4.10 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 1.21 0.00 0.00 144 V 8.99 4.17 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 0.98 0.00 0.00 0.94 0.00 0.00 145 V 8.29 4.40 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 0.75 0.00 0.00 0.96 0.00 0.00 146 D 7.46 4.48 0.00 2.74 2.43 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 0.00 147 V 8.36 4.78 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 0.96 0.00 0.00 0.95 0.00 0.00 148 L 8.90 4.47 0.00 1.65 1.58 0.92 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 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 3.80 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 1.99 1.96 0.00 * Residues marked with a * may have inaccurate shift predictions.