============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 37 rings ring int. center anis. iso. PHE 10 1.000 23.453 17.039 77.486 -99.200 -91.000 HIS 20 0.900 37.368 9.464 82.949 -99.200 -91.000 PHE 33 1.000 51.645 7.548 87.826 -99.200 -91.000 TRP 51 1.040 68.809 2.106 89.169 -99.200 -91.000 TRP6 51 1.020 67.821 3.692 90.613 -99.200 -91.000 TYR 53 0.840 63.855 -1.913 87.963 -99.200 -91.000 HIS 54 0.900 62.769 -5.099 96.148 -99.200 -91.000 PHE 77 1.000 62.740 5.415 98.422 -99.200 -91.000 PHE 79 1.000 57.877 5.825 93.442 -99.200 -91.000 PHE 83 1.000 55.385 4.948 83.848 -99.200 -91.000 HIS 84 0.900 60.530 -0.795 83.300 -99.200 -91.000 PHE 93 1.000 48.910 11.376 76.086 -99.200 -91.000 TYR 107 0.840 35.574 16.317 87.644 -99.200 -91.000 PHE 112 1.000 52.300 19.831 90.122 -99.200 -91.000 TYR 114 0.840 60.262 17.044 93.101 -99.200 -91.000 TYR 123 0.840 63.021 12.080 76.593 -99.200 -91.000 PHE 143 1.000 43.081 21.732 68.945 -99.200 -91.000 TYR 149 0.840 33.184 16.078 74.515 -99.200 -91.000 TRP 154 1.040 28.639 19.137 75.407 -99.200 -91.000 TRP6 154 1.020 28.522 20.531 77.312 -99.200 -91.000 TYR 156 0.840 34.681 20.871 75.255 -99.200 -91.000 PHE 162 1.000 52.121 28.274 75.741 -99.200 -91.000 TYR 166 0.840 65.717 33.171 88.139 -99.200 -91.000 TYR 171 0.840 60.436 36.740 84.984 -99.200 -91.000 TYR 194 0.840 42.465 38.531 86.483 -99.200 -91.000 HIS 208 0.900 46.952 29.836 67.271 -99.200 -91.000 HIS 211 0.900 54.067 30.512 65.844 -99.200 -91.000 HIS 214 0.900 60.195 27.615 67.761 -99.200 -91.000 HIS 235 0.900 59.077 26.110 90.312 -99.200 -91.000 HIS 246 0.900 24.199 20.929 74.403 -99.200 -91.000 HIS 289 0.900 42.571 27.312 107.434 -99.200 -91.000 TYR 292 0.840 45.578 25.421 98.049 -99.200 -91.000 HIS 299 0.900 47.390 33.422 95.144 -99.200 -91.000 PHE 314 1.000 54.397 11.315 85.015 -99.200 -91.000 PHE 320 1.000 73.996 8.137 84.797 -99.200 -91.000 PHE 324 1.000 72.655 6.441 97.041 -99.200 -91.000 PHE 333 1.000 56.768 15.185 97.359 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 1cz7A1 GLU 320 HA 0.01 0.02 0.25 -0.75 4.29 3.82 1cz7A1 GLU 320 HB2 0.01 0.02 0.08 -0.04 2.09 2.16 1cz7A1 GLU 320 HB3 0.01 0.02 -0.09 -0.04 1.99 1.89 1cz7A1 GLU 320 HG2 0.01 0.02 0.06 -0.04 2.34 2.38 1cz7A1 GLU 320 HG3 0.01 0.04 0.02 -0.04 2.34 2.37 1cz7A1 LEU 321 H 0.01 0.29 0.14 -0.55 8.37 8.27 1cz7A1 LEU 321 HA 0.02 0.09 0.52 -0.75 4.35 4.22 1cz7A1 LEU 321 HB2 0.01 0.04 0.15 -0.04 1.64 1.80 1cz7A1 LEU 321 HB3 0.01 0.04 0.13 -0.04 1.64 1.79 1cz7A1 LEU 321 HG 0.02 -0.06 0.17 -0.04 1.64 1.72 1cz7A1 LEU 321 HD13 0.02 0.02 0.04 -0.04 0.93 0.97 1cz7A1 LEU 321 HD23 0.02 0.02 -0.35 -0.04 0.89 0.53 1cz7A1 GLU 322 H 0.01 0.21 -0.44 -0.55 8.60 7.83 1cz7A1 GLU 322 HA 0.02 0.10 0.44 -0.75 4.29 4.10 1cz7A1 GLU 322 HB2 0.01 0.04 0.01 -0.04 2.09 2.10 1cz7A1 GLU 322 HB3 0.00 0.04 0.01 -0.04 1.99 2.00 1cz7A1 GLU 322 HG2 0.00 -0.04 0.04 -0.04 2.34 2.30 1cz7A1 GLU 322 HG3 -0.01 0.05 0.02 -0.04 2.34 2.36 1cz7A1 THR 323 H 0.02 0.52 -0.35 -0.55 8.28 7.92 1cz7A1 THR 323 HA 0.03 0.05 0.39 -0.75 4.39 4.11 1cz7A1 THR 323 HB 0.02 0.10 0.06 -0.04 4.32 4.46 1cz7A1 THR 323 HG23 0.02 -0.01 0.06 -0.04 1.22 1.25 1cz7A1 CYS 324 H 0.03 0.28 -0.45 -0.55 8.50 7.81 1cz7A1 CYS 324 HA 0.04 0.12 0.63 -0.75 4.58 4.61 1cz7A1 CYS 324 HB2 0.03 -0.03 0.13 -0.04 2.97 3.06 1cz7A1 CYS 324 HB3 0.03 0.09 0.26 -0.04 2.97 3.31 1cz7A1 LYS 325 H 0.05 0.43 0.15 -0.55 8.42 8.50 1cz7A1 LYS 325 HA 0.09 0.10 0.42 -0.75 4.32 4.17 1cz7A1 LYS 325 HB2 0.05 -0.00 0.20 -0.04 1.87 2.07 1cz7A1 LYS 325 HB3 0.08 0.07 0.03 -0.04 1.79 1.92 1cz7A1 LYS 325 HG2 0.07 0.16 0.07 -0.04 1.46 1.73 1cz7A1 LYS 325 HG3 0.05 -0.07 0.10 -0.04 1.46 1.50 1cz7A1 LYS 325 HD2 0.03 -0.06 0.00 -0.04 1.69 1.62 1cz7A1 LYS 325 HD3 0.05 0.03 -0.01 -0.04 1.68 1.71 1cz7A1 LYS 325 HE2 0.05 0.08 -0.01 -0.04 2.99 3.07 1cz7A1 LYS 325 HE3 0.04 -0.03 0.03 -0.04 2.99 2.99 1cz7A1 GLU 326 H 0.06 0.81 -0.12 -0.55 8.60 8.80 1cz7A1 GLU 326 HA 0.12 0.12 0.56 -0.75 4.29 4.34 1cz7A1 GLU 326 HB2 0.03 -0.02 0.09 -0.04 2.09 2.15 1cz7A1 GLU 326 HB3 0.05 -0.04 0.09 -0.04 1.99 2.05 1cz7A1 GLU 326 HG2 0.04 -0.04 -0.06 -0.04 2.34 2.23 1cz7A1 GLU 326 HG3 0.09 -0.03 -0.26 -0.04 2.34 2.09 1cz7A1 GLN 327 H 0.07 0.32 -0.36 -0.55 8.47 7.96 1cz7A1 GLN 327 HA 0.09 0.04 0.67 -0.75 4.36 4.42 1cz7A1 GLN 327 HB2 0.05 0.57 0.32 -0.04 2.15 3.05 1cz7A1 GLN 327 HB3 0.05 -0.06 0.10 -0.04 2.02 2.06 1cz7A1 GLN 327 HG2 0.05 -0.06 0.10 -0.04 2.40 2.45 1cz7A1 GLN 327 HG3 0.05 -0.02 0.04 -0.04 2.39 2.42 1cz7A1 GLN 327 HE21 0.02 -0.03 0.02 -0.04 6.97 6.95 1cz7A1 GLN 327 HE22 0.03 -0.01 0.03 -0.04 7.69 7.70 1cz7A1 LEU 328 H 0.10 0.64 -0.18 -0.55 8.37 8.37 1cz7A1 LEU 328 HA 0.05 -0.03 0.50 -0.75 4.35 4.12 1cz7A1 LEU 328 HB2 0.06 0.01 -0.02 -0.04 1.64 1.66 1cz7A1 LEU 328 HB3 0.11 0.14 0.13 -0.04 1.64 1.98 1cz7A1 LEU 328 HG 0.08 0.11 -0.04 -0.04 1.64 1.75 1cz7A1 LEU 328 HD13 0.02 -0.03 0.04 -0.04 0.93 0.93 1cz7A1 LEU 328 HD23 0.04 -0.03 -0.03 -0.04 0.89 0.83 1cz7A1 PHE 329 H 0.24 0.34 -0.37 -0.55 8.34 8.01 1cz7A1 PHE 329 HA 0.14 0.07 0.51 -0.75 4.62 4.58 1cz7A1 PHE 329 HB2 0.10 0.14 0.24 -0.04 3.15 3.59 1cz7A1 PHE 329 HB3 0.09 0.12 0.20 -0.04 3.06 3.43 1cz7A1 PHE 329 HD2 0.03 0.07 -0.04 -0.04 7.28 7.30 1cz7A1 PHE 329 HE2 0.05 -0.01 -0.03 -0.04 7.38 7.34 1cz7A1 PHE 329 HZ 0.30 0.01 -0.04 -0.04 7.32 7.55 1cz7A1 GLN 330 H 0.15 0.16 -0.51 -0.55 8.47 7.73 1cz7A1 GLN 330 HA 0.07 0.12 0.65 -0.75 4.36 4.44 1cz7A1 GLN 330 HB2 0.15 0.17 0.17 -0.04 2.15 2.60 1cz7A1 GLN 330 HB3 0.08 0.02 0.10 -0.04 2.02 2.18 1cz7A1 GLN 330 HG2 0.08 -0.03 0.02 -0.04 2.40 2.43 1cz7A1 GLN 330 HG3 0.07 -0.06 0.06 -0.04 2.39 2.41 1cz7A1 GLN 330 HE21 0.14 0.02 -0.00 -0.04 6.97 7.09 1cz7A1 GLN 330 HE22 0.09 -0.04 0.02 -0.04 7.69 7.71 1cz7A1 SER 331 H 0.03 0.63 0.01 -0.55 8.46 8.59 1cz7A1 SER 331 HA 0.01 0.03 0.48 -0.75 4.49 4.25 1cz7A1 SER 331 HB2 0.02 0.10 0.17 -0.04 3.95 4.19 1cz7A1 SER 331 HB3 -0.00 0.06 0.09 -0.04 3.93 4.03 1cz7A1 ASN 332 H -0.04 0.38 -0.32 -0.55 8.53 8.00 1cz7A1 ASN 332 HA -0.06 0.01 0.39 -0.75 4.76 4.34 1cz7A1 ASN 332 HB2 -0.07 0.00 0.07 -0.04 2.88 2.84 1cz7A1 ASN 332 HB3 -0.10 0.18 0.07 -0.04 2.79 2.89 1cz7A1 ASN 332 HD21 -0.13 -0.00 -0.11 -0.04 7.03 6.74 1cz7A1 ASN 332 HD22 -0.12 0.10 -0.07 -0.04 7.74 7.61 1cz7A1 MET 333 H -0.12 0.26 -0.41 -0.55 8.47 7.66 1cz7A1 MET 333 HA -0.09 0.08 0.42 -0.75 4.52 4.17 1cz7A1 MET 333 HB2 -0.17 0.18 0.17 -0.04 2.15 2.28 1cz7A1 MET 333 HB3 -0.02 0.08 0.15 -0.04 2.03 2.21 1cz7A1 MET 333 HG2 0.02 -0.06 -0.10 -0.04 2.63 2.46 1cz7A1 MET 333 HG3 0.01 0.01 0.07 -0.04 2.56 2.60 1cz7A1 MET 333 HE3 0.24 0.02 0.00 -0.04 2.10 2.32 1cz7A1 GLU 334 H -0.01 0.42 -0.25 -0.55 8.60 8.21 1cz7A1 GLU 334 HA 0.01 0.04 0.52 -0.75 4.29 4.10 1cz7A1 GLU 334 HB2 0.01 0.01 0.12 -0.04 2.09 2.19 1cz7A1 GLU 334 HB3 0.00 0.12 0.20 -0.04 1.99 2.27 1cz7A1 GLU 334 HG2 0.01 -0.01 -0.18 -0.04 2.34 2.11 1cz7A1 GLU 334 HG3 0.01 -0.05 0.05 -0.04 2.34 2.31 1cz7A1 ARG 335 H -0.02 0.65 -0.04 -0.55 8.46 8.49 1cz7A1 ARG 335 HA 0.00 -0.05 0.35 -0.75 4.34 3.89 1cz7A1 ARG 335 HB2 -0.02 0.08 0.13 -0.04 1.90 2.04 1cz7A1 ARG 335 HB3 -0.04 0.13 0.09 -0.04 1.80 1.95 1cz7A1 ARG 335 HG2 0.02 -0.07 0.06 -0.04 1.67 1.64 1cz7A1 ARG 335 HG3 -0.01 -0.04 0.01 -0.04 1.67 1.59 1cz7A1 ARG 335 HD2 -0.03 -0.04 -0.05 -0.04 3.22 3.06 1cz7A1 ARG 335 HD3 -0.06 0.02 -0.05 -0.04 3.22 3.09 1cz7A1 LYS 336 H -0.02 0.41 -0.58 -0.55 8.42 7.68 1cz7A1 LYS 336 HA -0.04 0.00 0.39 -0.75 4.32 3.92 1cz7A1 LYS 336 HB2 -0.05 0.17 0.14 -0.04 1.87 2.08 1cz7A1 LYS 336 HB3 -0.01 0.15 0.15 -0.04 1.79 2.03 1cz7A1 LYS 336 HG2 0.04 -0.05 -0.04 -0.04 1.46 1.37 1cz7A1 LYS 336 HG3 -0.05 -0.03 0.04 -0.04 1.46 1.38 1cz7A1 LYS 336 HD2 -0.08 -0.03 0.01 -0.04 1.69 1.54 1cz7A1 LYS 336 HD3 -0.01 -0.03 0.02 -0.04 1.68 1.63 1cz7A1 LYS 336 HE2 0.07 -0.05 0.05 -0.04 2.99 3.02 1cz7A1 LYS 336 HE3 -0.08 0.14 0.13 -0.04 2.99 3.15 1cz7A1 GLU 337 H 0.02 0.39 -0.08 -0.55 8.60 8.38 1cz7A1 GLU 337 HA 0.05 0.05 0.44 -0.75 4.29 4.07 1cz7A1 GLU 337 HB2 0.02 0.02 0.09 -0.04 2.09 2.19 1cz7A1 GLU 337 HB3 0.03 -0.04 0.06 -0.04 1.99 1.99 1cz7A1 GLU 337 HG2 0.04 -0.03 0.06 -0.04 2.34 2.37 1cz7A1 GLU 337 HG3 0.02 0.32 0.23 -0.04 2.34 2.86 1cz7A1 LEU 338 H 0.02 0.57 -0.04 -0.55 8.37 8.37 1cz7A1 LEU 338 HA 0.01 0.01 0.39 -0.75 4.35 4.01 1cz7A1 LEU 338 HB2 0.02 0.09 0.12 -0.04 1.64 1.83 1cz7A1 LEU 338 HB3 -0.00 -0.04 0.00 -0.04 1.64 1.56 1cz7A1 LEU 338 HG 0.01 0.05 0.04 -0.04 1.64 1.70 1cz7A1 LEU 338 HD13 0.00 -0.01 -0.05 -0.04 0.93 0.82 1cz7A1 LEU 338 HD23 -0.00 -0.01 0.01 -0.04 0.89 0.85 1cz7A1 HIS 339 H 0.10 0.48 -0.33 -0.55 8.41 8.12 1cz7A1 HIS 339 HA -0.05 -0.05 0.37 -0.75 4.63 4.15 1cz7A1 HIS 339 HB2 -0.05 0.05 0.10 -0.04 3.26 3.32 1cz7A1 HIS 339 HB3 -0.06 0.20 0.13 -0.04 3.20 3.44 1cz7A1 HIS 339 HD2 -0.06 -0.01 -0.04 -0.04 6.97 6.82 1cz7A1 HIS 339 HE1 -0.09 -0.04 -0.24 -0.04 7.75 7.33 1cz7A1 ASN 340 H 0.05 0.58 0.01 -0.55 8.53 8.62 1cz7A1 ASN 340 HA -0.08 0.02 0.41 -0.75 4.76 4.35 1cz7A1 ASN 340 HB2 -0.06 0.08 0.12 -0.04 2.88 2.98 1cz7A1 ASN 340 HB3 0.01 0.01 0.02 -0.04 2.79 2.78 1cz7A1 ASN 340 HD21 0.00 0.04 -0.01 -0.04 7.03 7.02 1cz7A1 ASN 340 HD22 0.03 -0.02 -0.11 -0.04 7.74 7.60 1cz7A1 THR 341 H 0.00 0.60 -0.33 -0.55 8.28 8.01 1cz7A1 THR 341 HA -0.01 0.03 0.42 -0.75 4.39 4.07 1cz7A1 THR 341 HB -0.01 0.16 0.17 -0.04 4.32 4.60 1cz7A1 THR 341 HG23 -0.01 -0.03 -0.10 -0.04 1.22 1.03 1cz7A1 VAL 342 H -0.05 0.66 0.03 -0.55 8.24 8.32 1cz7A1 VAL 342 HA -0.06 -0.01 0.42 -0.75 4.13 3.73 1cz7A1 VAL 342 HB -0.18 0.09 0.19 -0.04 2.12 2.18 1cz7A1 VAL 342 HG13 -0.12 -0.02 -0.17 -0.04 0.97 0.61 1cz7A1 VAL 342 HG23 -0.08 0.02 0.02 -0.04 0.95 0.87 1cz7A1 MET 343 H -0.09 0.65 -0.14 -0.55 8.47 8.33 1cz7A1 MET 343 HA -0.08 -0.08 0.27 -0.75 4.52 3.88 1cz7A1 MET 343 HB2 -0.07 0.18 0.16 -0.04 2.15 2.38 1cz7A1 MET 343 HB3 -0.08 -0.02 -0.09 -0.04 2.03 1.80 1cz7A1 MET 343 HG2 -0.03 0.17 -0.01 -0.04 2.63 2.72 1cz7A1 MET 343 HG3 0.07 -0.05 -0.12 -0.04 2.56 2.42 1cz7A1 MET 343 HE3 -0.21 -0.02 -0.09 -0.04 2.10 1.74 1cz7A1 ASP 344 H -0.05 0.56 -0.25 -0.55 8.40 8.11 1cz7A1 ASP 344 HA -0.03 0.09 0.33 -0.75 4.63 4.26 1cz7A1 ASP 344 HB2 -0.03 0.20 0.17 -0.04 2.71 3.01 1cz7A1 ASP 344 HB3 -0.02 -0.01 0.09 -0.04 2.70 2.73 1cz7A1 LEU 345 H -0.03 0.55 -0.05 -0.55 8.37 8.29 1cz7A1 LEU 345 HA -0.02 0.02 0.43 -0.75 4.35 4.03 1cz7A1 LEU 345 HB2 -0.03 0.04 0.16 -0.04 1.64 1.76 1cz7A1 LEU 345 HB3 -0.02 -0.08 0.04 -0.04 1.64 1.54 1cz7A1 LEU 345 HG -0.02 0.28 0.10 -0.04 1.64 1.95 1cz7A1 LEU 345 HD13 -0.02 -0.04 -0.00 -0.04 0.93 0.82 1cz7A1 LEU 345 HD23 -0.01 -0.03 -0.00 -0.04 0.89 0.80 1cz7A1 ARG 346 H -0.04 0.67 -0.06 -0.55 8.46 8.47 1cz7A1 ARG 346 HA -0.02 -0.06 0.37 -0.75 4.34 3.87 1cz7A1 ARG 346 HB2 -0.04 0.13 0.06 -0.04 1.90 2.01 1cz7A1 ARG 346 HB3 -0.02 -0.11 -0.05 -0.04 1.80 1.59 1cz7A1 ARG 346 HG2 -0.04 0.04 0.02 -0.04 1.67 1.64 1cz7A1 ARG 346 HG3 -0.05 0.00 -0.09 -0.04 1.67 1.48 1cz7A1 ARG 346 HD2 -0.01 -0.03 0.01 -0.04 3.22 3.15 1cz7A1 ARG 346 HD3 -0.01 0.03 0.05 -0.04 3.22 3.25 1cz7A1 GLY 347 H -0.03 0.39 -0.53 -0.55 8.43 7.71 1cz7A1 GLY 347 HA2 -0.04 0.09 0.35 -0.51 4.01 3.90 1cz7A1 GLY 347 HA3 -0.04 -0.06 0.51 -0.51 4.01 3.90 1cz7A1 ASN 348 H -0.05 0.06 -0.00 -0.55 8.53 7.99 1cz7A1 ASN 348 HA -0.04 -0.06 0.36 -0.75 4.76 4.27 1cz7A1 ASN 348 HB2 -0.02 0.88 1.02 -0.04 2.88 4.72 1cz7A1 ASN 348 HB3 -0.01 0.01 0.07 -0.04 2.79 2.82 1cz7A1 ASN 348 HD21 0.01 -0.12 -0.02 -0.04 7.03 6.86 1cz7A1 ASN 348 HD22 0.01 0.04 0.05 -0.04 7.74 7.79 1cz7A1 ILE 349 H -0.05 0.21 -0.55 -0.55 8.25 7.30 1cz7A1 ILE 349 HA -0.05 0.25 0.85 -0.75 4.18 4.47 1cz7A1 ILE 349 HB -0.05 0.01 0.13 -0.04 1.89 1.95 1cz7A1 ILE 349 HG12 0.00 0.02 0.13 -0.04 1.49 1.61 1cz7A1 ILE 349 HG13 -0.01 0.06 -0.27 -0.04 1.21 0.95 1cz7A1 ILE 349 HG23 -0.07 -0.02 -0.07 -0.04 0.93 0.73 1cz7A1 ILE 349 HD13 0.00 -0.00 0.01 -0.04 0.88 0.85 1cz7A1 ARG 350 H -0.18 0.33 0.16 -0.55 8.46 8.21 1cz7A1 ARG 350 HA -0.20 0.15 0.81 -0.75 4.34 4.35 1cz7A1 ARG 350 HB2 -0.35 -0.02 0.13 -0.04 1.90 1.62 1cz7A1 ARG 350 HB3 -0.74 -0.04 0.05 -0.04 1.80 1.03 1cz7A1 ARG 350 HG2 -0.03 0.03 0.07 -0.04 1.67 1.70 1cz7A1 ARG 350 HG3 -0.10 0.09 -0.02 -0.04 1.67 1.60 1cz7A1 ARG 350 HD2 -0.03 0.18 -0.26 -0.04 3.22 3.06 1cz7A1 ARG 350 HD3 -0.08 -0.16 -0.07 -0.04 3.22 2.87 1cz7A1 VAL 351 H -0.21 0.16 0.31 -0.55 8.24 7.95 1cz7A1 VAL 351 HA -0.30 0.27 1.09 -0.75 4.13 4.43 1cz7A1 VAL 351 HB -0.01 -0.05 0.23 -0.04 2.12 2.24 1cz7A1 VAL 351 HG13 0.13 -0.00 -0.03 -0.04 0.97 1.02 1cz7A1 VAL 351 HG23 -0.16 0.01 -0.04 -0.04 0.95 0.72 1cz7A1 PHE 352 H -0.16 0.83 0.44 -0.55 8.34 8.90 1cz7A1 PHE 352 HA -0.03 0.24 1.03 -0.75 4.62 5.10 1cz7A1 PHE 352 HB2 -0.52 -0.04 0.02 -0.04 3.15 2.57 1cz7A1 PHE 352 HB3 0.16 -0.02 0.05 -0.04 3.06 3.21 1cz7A1 PHE 352 HD2 -0.56 0.04 -0.06 -0.04 7.28 6.66 1cz7A1 PHE 352 HE2 -0.07 0.06 -0.12 -0.04 7.38 7.21 1cz7A1 PHE 352 HZ -0.03 0.06 -0.05 -0.04 7.32 7.27 1cz7A1 CYS 353 H -0.00 0.34 0.27 -0.55 8.50 8.56 1cz7A1 CYS 353 HA -0.17 0.26 0.92 -0.75 4.58 4.83 1cz7A1 CYS 353 HB2 -1.96 0.06 -0.10 -0.04 2.97 0.94 1cz7A1 CYS 353 HB3 -0.68 -0.05 0.13 -0.04 2.97 2.33 1cz7A1 ARG 354 H -0.02 0.74 0.29 -0.55 8.46 8.92 1cz7A1 ARG 354 HA 0.04 0.20 1.01 -0.75 4.34 4.83 1cz7A1 ARG 354 HB2 0.05 -0.02 -0.15 -0.04 1.90 1.73 1cz7A1 ARG 354 HB3 -0.00 -0.09 -0.01 -0.04 1.80 1.66 1cz7A1 ARG 354 HG2 -0.08 0.05 -0.47 -0.04 1.67 1.14 1cz7A1 ARG 354 HG3 -0.05 0.00 -0.06 -0.04 1.67 1.52 1cz7A1 ARG 354 HD2 -0.16 -0.06 -0.14 -0.04 3.22 2.82 1cz7A1 ARG 354 HD3 -0.06 -0.03 -0.18 -0.04 3.22 2.91 1cz7A1 ILE 355 H -0.13 0.69 0.17 -0.55 8.25 8.43 1cz7A1 ILE 355 HA -0.27 0.20 0.97 -0.75 4.18 4.32 1cz7A1 ILE 355 HB -0.28 0.02 0.22 -0.04 1.89 1.80 1cz7A1 ILE 355 HG12 -0.68 -0.01 -0.11 -0.04 1.49 0.65 1cz7A1 ILE 355 HG13 -0.33 -0.02 -0.29 -0.04 1.21 0.53 1cz7A1 ILE 355 HG23 -0.60 -0.02 -0.16 -0.04 0.93 0.11 1cz7A1 ILE 355 HD13 -0.75 -0.01 -0.15 -0.04 0.88 -0.06 1cz7A1 ARG 356 H -0.23 0.41 0.25 -0.55 8.46 8.33 1cz7A1 ARG 356 HA -0.15 0.19 0.90 -0.75 4.34 4.52 1cz7A1 ARG 356 HB2 -0.18 0.06 -0.01 -0.04 1.90 1.73 1cz7A1 ARG 356 HB3 -0.16 -0.03 0.00 -0.04 1.80 1.58 1cz7A1 ARG 356 HG2 -0.16 0.22 0.20 -0.04 1.67 1.88 1cz7A1 ARG 356 HG3 -0.22 -0.15 0.21 -0.04 1.67 1.46 1cz7A1 ARG 356 HD2 -0.11 -0.01 -0.00 -0.04 3.22 3.05 1cz7A1 ARG 356 HD3 -0.09 -0.06 0.04 -0.04 3.22 3.07 1cz7A1 PRO 357 HA -0.05 0.03 0.47 -0.51 4.44 4.38 1cz7A1 PRO 357 HB2 -0.01 0.07 0.04 -0.04 2.28 2.34 1cz7A1 PRO 357 HB3 -0.02 0.01 0.18 -0.04 2.02 2.15 1cz7A1 PRO 357 HG2 -0.09 -0.04 0.11 -0.04 2.03 1.97 1cz7A1 PRO 357 HG3 -0.06 0.14 0.16 -0.04 2.03 2.23 1cz7A1 PRO 357 HD2 -0.13 0.07 0.28 -0.04 3.68 3.85 1cz7A1 PRO 357 HD3 -0.07 0.08 0.33 -0.04 3.65 3.95 1cz7A1 PRO 358 HA 0.31 0.02 0.41 -0.51 4.44 4.67 1cz7A1 PRO 358 HB2 0.26 0.02 -0.12 -0.04 2.28 2.40 1cz7A1 PRO 358 HB3 0.91 0.01 0.04 -0.04 2.02 2.94 1cz7A1 PRO 358 HG2 0.25 0.04 0.08 -0.04 2.03 2.36 1cz7A1 PRO 358 HG3 0.11 0.07 0.12 -0.04 2.03 2.29 1cz7A1 PRO 358 HD2 0.08 0.09 0.17 -0.04 3.68 3.98 1cz7A1 PRO 358 HD3 0.02 0.08 0.29 -0.04 3.65 4.01 1cz7A1 LEU 359 H 0.23 0.07 0.09 -0.55 8.37 8.21 1cz7A1 LEU 359 HA 0.05 0.33 0.88 -0.75 4.35 4.85 1cz7A1 LEU 359 HB2 0.06 -0.03 0.02 -0.04 1.64 1.65 1cz7A1 LEU 359 HB3 0.03 -0.09 0.12 -0.04 1.64 1.65 1cz7A1 LEU 359 HG 0.04 0.11 -0.11 -0.04 1.64 1.63 1cz7A1 LEU 359 HD13 0.03 0.00 -0.03 -0.04 0.93 0.89 1cz7A1 LEU 359 HD23 -0.02 0.03 -0.05 -0.04 0.89 0.81 1cz7A1 GLU 360 H 0.02 0.23 0.15 -0.55 8.60 8.46 1cz7A1 GLU 360 HA 0.02 0.11 0.40 -0.75 4.29 4.06 1cz7A1 GLU 360 HB2 0.01 -0.01 0.07 -0.04 2.09 2.12 1cz7A1 GLU 360 HB3 0.01 0.04 0.07 -0.04 1.99 2.07 1cz7A1 GLU 360 HG2 0.01 0.04 0.05 -0.04 2.34 2.40 1cz7A1 GLU 360 HG3 0.01 0.04 0.08 -0.04 2.34 2.43 1cz7A1 SER 361 H 0.01 0.03 -0.52 -0.55 8.46 7.44 1cz7A1 SER 361 HA -0.01 0.20 0.73 -0.75 4.49 4.66 1cz7A1 SER 361 HB2 -0.00 0.03 0.14 -0.04 3.95 4.08 1cz7A1 SER 361 HB3 0.00 0.05 0.06 -0.04 3.93 4.00 1cz7A1 GLU 362 H -0.01 0.54 -0.34 -0.55 8.60 8.24 1cz7A1 GLU 362 HA -0.15 0.14 0.65 -0.75 4.29 4.17 1cz7A1 GLU 362 HB2 0.00 -0.01 0.05 -0.04 2.09 2.09 1cz7A1 GLU 362 HB3 -0.58 -0.02 0.14 -0.04 1.99 1.48 1cz7A1 GLU 362 HG2 -0.10 0.09 -0.09 -0.04 2.34 2.20 1cz7A1 GLU 362 HG3 -0.01 -0.16 -0.90 -0.04 2.34 1.22 1cz7A1 GLU 363 H -0.02 0.17 -0.02 -0.55 8.60 8.17 1cz7A1 GLU 363 HA 0.01 0.11 0.39 -0.75 4.29 4.05 1cz7A1 GLU 363 HB2 -0.01 0.02 0.07 -0.04 2.09 2.13 1cz7A1 GLU 363 HB3 0.01 0.02 0.09 -0.04 1.99 2.06 1cz7A1 GLU 363 HG2 0.02 0.03 -0.05 -0.04 2.34 2.31 1cz7A1 GLU 363 HG3 0.01 0.03 0.14 -0.04 2.34 2.48 1cz7A1 ASN 364 H -0.06 0.03 -0.56 -0.55 8.53 7.39 1cz7A1 ASN 364 HA -0.03 0.22 0.77 -0.75 4.76 4.97 1cz7A1 ASN 364 HB2 -0.04 -0.01 0.01 -0.04 2.88 2.80 1cz7A1 ASN 364 HB3 -0.03 0.00 0.14 -0.04 2.79 2.87 1cz7A1 ASN 364 HD21 -0.01 0.01 -0.04 -0.04 7.03 6.94 1cz7A1 ASN 364 HD22 -0.02 -0.00 -0.01 -0.04 7.74 7.67 1cz7A1 ARG 365 H -0.12 0.49 -0.31 -0.55 8.46 7.97 1cz7A1 ARG 365 HA -0.15 0.07 0.84 -0.75 4.34 4.35 1cz7A1 ARG 365 HB2 -0.43 -0.10 0.09 -0.04 1.90 1.42 1cz7A1 ARG 365 HB3 -0.68 0.16 0.12 -0.04 1.80 1.36 1cz7A1 ARG 365 HG2 -1.74 -0.02 -0.03 -0.04 1.67 -0.16 1cz7A1 ARG 365 HG3 -0.35 -0.05 0.03 -0.04 1.67 1.26 1cz7A1 ARG 365 HD2 -0.16 -0.02 0.09 -0.04 3.22 3.08 1cz7A1 ARG 365 HD3 -0.29 0.05 0.03 -0.04 3.22 2.97 1cz7A1 MET 366 H -0.05 0.08 0.19 -0.55 8.47 8.15 1cz7A1 MET 366 HA 0.04 0.16 0.70 -0.75 4.52 4.67 1cz7A1 MET 366 HB2 0.02 -0.11 0.23 -0.04 2.15 2.25 1cz7A1 MET 366 HB3 0.02 0.06 0.08 -0.04 2.03 2.15 1cz7A1 MET 366 HG2 -0.01 0.04 0.00 -0.04 2.63 2.62 1cz7A1 MET 366 HG3 -0.00 -0.00 0.03 -0.04 2.56 2.54 1cz7A1 MET 366 HE3 0.00 -0.00 -0.26 -0.04 2.10 1.80 1cz7A1 CYS 367 H 0.12 0.18 0.22 -0.55 8.50 8.47 1cz7A1 CYS 367 HA 0.38 0.19 0.76 -0.75 4.58 5.15 1cz7A1 CYS 367 HB2 0.15 -0.02 0.23 -0.04 2.97 3.29 1cz7A1 CYS 367 HB3 0.22 -0.23 0.37 -0.04 2.97 3.29 1cz7A1 CYS 368 H 0.07 0.36 0.20 -0.55 8.50 8.58 1cz7A1 CYS 368 HA -0.16 0.08 0.69 -0.75 4.58 4.44 1cz7A1 CYS 368 HB2 -0.51 -0.00 -0.19 -0.04 2.97 2.24 1cz7A1 CYS 368 HB3 -0.63 -0.02 -0.04 -0.04 2.97 2.24 1cz7A1 THR 369 H -0.37 0.41 0.26 -0.55 8.28 8.03 1cz7A1 THR 369 HA -0.19 0.18 0.96 -0.75 4.39 4.59 1cz7A1 THR 369 HB -0.15 -0.04 0.11 -0.04 4.32 4.19 1cz7A1 THR 369 HG23 -0.08 0.02 -0.08 -0.04 1.22 1.03 1cz7A1 TRP 370 H -0.07 0.21 0.08 -0.55 7.97 7.64 1cz7A1 TRP 370 HA 0.03 0.27 0.90 -0.75 4.62 5.07 1cz7A1 TRP 370 HB2 -0.15 -0.02 0.14 -0.04 3.23 3.16 1cz7A1 TRP 370 HB3 0.11 0.06 -0.06 -0.04 3.23 3.30 1cz7A1 TRP 370 HD1 0.03 0.05 0.00 -0.04 7.22 7.26 1cz7A1 TRP 370 HE1 0.03 -0.02 -0.03 -0.04 10.20 10.14 1cz7A1 TRP 370 HE3 0.21 0.11 -0.18 -0.04 7.59 7.69 1cz7A1 TRP 370 HZ2 0.05 -0.00 -0.11 -0.04 7.44 7.34 1cz7A1 TRP 370 HZ3 0.16 0.07 -0.22 -0.04 7.13 7.09 1cz7A1 TRP 370 HH2 0.07 -0.00 -0.17 -0.04 7.19 7.05 1cz7A1 THR 371 H 0.03 0.84 0.35 -0.55 8.28 8.95 1cz7A1 THR 371 HA -0.21 0.11 0.82 -0.75 4.39 4.36 1cz7A1 THR 371 HB -0.34 -0.08 0.12 -0.04 4.32 3.98 1cz7A1 THR 371 HG23 -0.13 0.00 -0.06 -0.04 1.22 0.99 1cz7A1 TYR 372 H -0.16 0.18 0.06 -0.55 8.29 7.81 1cz7A1 TYR 372 HA 0.00 0.30 1.04 -0.75 4.56 5.15 1cz7A1 TYR 372 HB2 0.00 -0.07 0.18 -0.04 3.06 3.14 1cz7A1 TYR 372 HB3 0.04 0.11 0.00 -0.04 2.98 3.09 1cz7A1 TYR 372 HD2 0.04 0.05 -0.25 -0.04 7.15 6.95 1cz7A1 TYR 372 HE2 0.06 -0.03 -0.12 -0.04 6.85 6.72 1cz7A1 HIS 373 H -0.21 0.17 -0.21 -0.55 8.41 7.62 1cz7A1 HIS 373 HA 0.08 -0.01 0.41 -0.75 4.63 4.36 1cz7A1 HIS 373 HB2 0.08 0.01 0.12 -0.04 3.26 3.43 1cz7A1 HIS 373 HB3 0.05 0.01 0.01 -0.04 3.20 3.22 1cz7A1 HIS 373 HD2 0.08 -0.00 -0.12 -0.04 6.97 6.87 1cz7A1 HIS 373 HE1 0.02 0.00 -0.07 -0.04 7.75 7.66 1cz7A1 ASP 374 H 0.13 0.16 0.22 -0.55 8.40 8.36 1cz7A1 ASP 374 HA 0.07 -0.02 0.43 -0.75 4.63 4.35 1cz7A1 ASP 374 HB2 0.07 -0.01 -0.05 -0.04 2.71 2.68 1cz7A1 ASP 374 HB3 0.11 0.31 -0.36 -0.04 2.70 2.72 1cz7A1 GLU 375 H 0.03 0.12 0.13 -0.55 8.60 8.33 1cz7A1 GLU 375 HA 0.00 0.11 0.28 -0.75 4.29 3.93 1cz7A1 GLU 375 HB2 -0.06 0.04 0.25 -0.04 2.09 2.28 1cz7A1 GLU 375 HB3 -0.00 -0.03 0.16 -0.04 1.99 2.08 1cz7A1 GLU 375 HG2 0.01 -0.09 0.11 -0.04 2.34 2.33 1cz7A1 GLU 375 HG3 -0.02 0.09 -0.05 -0.04 2.34 2.32 1cz7A1 SER 376 H 0.06 0.13 -0.60 -0.55 8.46 7.51 1cz7A1 SER 376 HA 0.03 0.03 0.64 -0.75 4.49 4.43 1cz7A1 SER 376 HB2 0.07 0.25 0.06 -0.04 3.95 4.29 1cz7A1 SER 376 HB3 0.02 -0.05 -0.31 -0.04 3.93 3.56 1cz7A1 THR 377 H 0.12 0.53 0.15 -0.55 8.28 8.53 1cz7A1 THR 377 HA 0.21 0.27 1.08 -0.75 4.39 5.19 1cz7A1 THR 377 HB 0.20 0.50 0.17 -0.04 4.32 5.15 1cz7A1 THR 377 HG23 0.18 -0.05 -0.17 -0.04 1.22 1.15 1cz7A1 VAL 378 H 0.32 0.64 0.30 -0.55 8.24 8.96 1cz7A1 VAL 378 HA 0.28 0.16 0.86 -0.75 4.13 4.67 1cz7A1 VAL 378 HB 0.32 0.02 -0.06 -0.04 2.12 2.36 1cz7A1 VAL 378 HG13 0.37 -0.01 -0.29 -0.04 0.97 1.00 1cz7A1 VAL 378 HG23 0.57 -0.02 -0.34 -0.04 0.95 1.11 1cz7A1 GLU 379 H 0.15 0.71 0.42 -0.55 8.60 9.33 1cz7A1 GLU 379 HA 0.20 0.35 1.14 -0.75 4.29 5.23 1cz7A1 GLU 379 HB2 0.32 -0.05 0.02 -0.04 2.09 2.34 1cz7A1 GLU 379 HB3 0.03 -0.08 0.15 -0.04 1.99 2.05 1cz7A1 GLU 379 HG2 0.06 0.02 -0.33 -0.04 2.34 2.05 1cz7A1 GLU 379 HG3 0.07 0.05 -0.12 -0.04 2.34 2.30 1cz7A1 LEU 380 H 0.15 0.53 0.34 -0.55 8.37 8.85 1cz7A1 LEU 380 HA -0.31 0.38 1.09 -0.75 4.35 4.75 1cz7A1 LEU 380 HB2 -1.15 -0.06 -0.08 -0.04 1.64 0.32 1cz7A1 LEU 380 HB3 0.18 0.03 -0.16 -0.04 1.64 1.66 1cz7A1 LEU 380 HG 0.14 -0.06 -0.42 -0.04 1.64 1.26 1cz7A1 LEU 380 HD13 0.02 -0.01 -0.20 -0.04 0.93 0.70 1cz7A1 LEU 380 HD23 0.26 0.02 0.04 -0.04 0.89 1.17 1cz7A1 GLN 381 H -0.28 0.22 0.27 -0.55 8.47 8.14 1cz7A1 GLN 381 HA 0.06 0.21 0.97 -0.75 4.36 4.84 1cz7A1 GLN 381 HB2 -0.11 -0.07 -0.01 -0.04 2.15 1.93 1cz7A1 GLN 381 HB3 -0.07 0.09 -0.05 -0.04 2.02 1.95 1cz7A1 GLN 381 HG2 -0.00 0.09 -0.15 -0.04 2.40 2.30 1cz7A1 GLN 381 HG3 -0.03 -0.11 -0.73 -0.04 2.39 1.48 1cz7A1 GLN 381 HE21 -0.02 -0.02 -0.12 -0.04 6.97 6.76 1cz7A1 GLN 381 HE22 -0.04 0.06 -0.20 -0.04 7.69 7.46 1cz7A1 SER 382 H -0.24 0.24 0.09 -0.55 8.46 8.00 1cz7A1 SER 382 HA -0.62 0.03 0.47 -0.75 4.49 3.61 1cz7A1 SER 382 HB2 -1.43 0.07 0.08 -0.04 3.95 2.64 1cz7A1 SER 382 HB3 -0.39 0.09 0.14 -0.04 3.93 3.73 1cz7A1 ILE 383 H -0.20 0.22 0.22 -0.55 8.25 7.94 1cz7A1 ILE 383 HA -0.11 0.11 0.22 -0.75 4.18 3.65 1cz7A1 ILE 383 HB -0.08 0.02 0.08 -0.04 1.89 1.87 1cz7A1 ILE 383 HG12 -0.06 0.02 -0.04 -0.04 1.49 1.37 1cz7A1 ILE 383 HG13 -0.09 -0.01 -0.15 -0.04 1.21 0.92 1cz7A1 ILE 383 HG23 -0.05 -0.01 -0.07 -0.04 0.93 0.76 1cz7A1 ILE 383 HD13 -0.01 0.01 -0.10 -0.04 0.88 0.74 1cz7A1 ASP 384 H -0.19 -0.05 -0.87 -0.55 8.40 6.74 1cz7A1 ASP 384 HA -0.07 0.07 0.56 -0.75 4.63 4.44 1cz7A1 ASP 384 HB2 -0.10 0.07 0.05 -0.04 2.71 2.68 1cz7A1 ASP 384 HB3 -0.15 0.02 0.10 -0.04 2.70 2.63 1cz7A1 ALA 385 H -0.05 0.22 0.21 -0.55 8.40 8.23 1cz7A1 ALA 385 HA -0.05 0.17 0.41 -0.75 4.34 4.11 1cz7A1 ALA 385 HB3 -0.03 0.02 0.09 -0.04 1.41 1.45 1cz7A1 GLN 386 H -0.04 -0.03 -0.26 -0.55 8.47 7.60 1cz7A1 GLN 386 HA -0.02 0.21 0.61 -0.75 4.36 4.40 1cz7A1 GLN 386 HB2 -0.02 0.03 0.06 -0.04 2.15 2.18 1cz7A1 GLN 386 HB3 -0.03 -0.10 0.11 -0.04 2.02 1.96 1cz7A1 GLN 386 HG2 -0.01 0.02 -0.03 -0.04 2.40 2.34 1cz7A1 GLN 386 HG3 -0.01 0.01 -0.25 -0.04 2.39 2.10 1cz7A1 GLN 386 HE21 -0.01 0.04 0.03 -0.04 6.97 6.98 1cz7A1 GLN 386 HE22 -0.01 -0.05 -0.01 -0.04 7.69 7.58 1cz7A1 ALA 387 H -0.04 0.06 -0.01 -0.55 8.40 7.86 1cz7A1 ALA 387 HA -0.01 0.08 0.41 -0.75 4.34 4.05 1cz7A1 ALA 387 HB3 -0.05 0.02 0.07 -0.04 1.41 1.42 1cz7A1 LYS 388 H -0.06 0.18 -0.64 -0.55 8.42 7.35 1cz7A1 LYS 388 HA -0.04 -0.03 0.25 -0.75 4.32 3.74 1cz7A1 LYS 388 HB2 -0.07 0.25 0.09 -0.04 1.87 2.10 1cz7A1 LYS 388 HB3 -0.04 0.17 -0.10 -0.04 1.79 1.77 1cz7A1 LYS 388 HG2 -0.03 -0.02 -0.06 -0.04 1.46 1.31 1cz7A1 LYS 388 HG3 -0.02 0.02 -0.13 -0.04 1.46 1.29 1cz7A1 LYS 388 HD2 -0.03 0.00 -0.01 -0.04 1.69 1.61 1cz7A1 LYS 388 HD3 -0.05 -0.07 0.03 -0.04 1.68 1.56 1cz7A1 LYS 388 HE2 -0.08 0.23 -0.13 -0.04 2.99 2.96 1cz7A1 LYS 388 HE3 -0.05 -0.03 -0.09 -0.04 2.99 2.78 1cz7A1 SER 389 H -0.02 0.36 -0.54 -0.55 8.46 7.72 1cz7A1 SER 389 HA -0.01 0.12 0.61 -0.75 4.49 4.45 1cz7A1 SER 389 HB2 -0.00 -0.02 0.00 -0.04 3.95 3.88 1cz7A1 SER 389 HB3 -0.01 -0.00 0.08 -0.04 3.93 3.96 1cz7A1 LYS 390 H 0.00 0.20 0.08 -0.55 8.42 8.14 1cz7A1 LYS 390 HA 0.01 0.12 0.55 -0.75 4.32 4.24 1cz7A1 LYS 390 HB2 0.01 0.01 0.11 -0.04 1.87 1.96 1cz7A1 LYS 390 HB3 0.02 0.01 0.09 -0.04 1.79 1.86 1cz7A1 LYS 390 HG2 0.01 0.03 0.03 -0.04 1.46 1.48 1cz7A1 LYS 390 HG3 0.00 -0.04 0.03 -0.04 1.46 1.42 1cz7A1 LYS 390 HD2 0.01 -0.02 0.02 -0.04 1.69 1.66 1cz7A1 LYS 390 HD3 0.01 0.01 0.02 -0.04 1.68 1.68 1cz7A1 LYS 390 HE2 0.00 0.01 0.00 -0.04 2.99 2.97 1cz7A1 LYS 390 HE3 0.00 -0.01 0.00 -0.04 2.99 2.95 1cz7A1 MET 391 H 0.02 0.25 -0.33 -0.55 8.47 7.86 1cz7A1 MET 391 HA 0.05 0.10 0.55 -0.75 4.52 4.46 1cz7A1 MET 391 HB2 0.12 -0.01 -0.06 -0.04 2.15 2.15 1cz7A1 MET 391 HB3 0.09 -0.08 -0.02 -0.04 2.03 1.97 1cz7A1 MET 391 HG2 0.01 0.13 -0.11 -0.04 2.63 2.62 1cz7A1 MET 391 HG3 0.03 0.23 -0.14 -0.04 2.56 2.64 1cz7A1 MET 391 HE3 -0.08 -0.02 -0.17 -0.04 2.10 1.79 1cz7A1 GLY 392 H 0.01 0.21 -0.32 -0.55 8.43 7.79 1cz7A1 GLY 392 HA2 0.00 0.03 0.29 -0.51 4.01 3.82 1cz7A1 GLY 392 HA3 0.01 0.03 0.48 -0.51 4.01 4.02 1cz7A1 GLN 393 H -0.01 0.18 0.24 -0.55 8.47 8.33 1cz7A1 GLN 393 HA -0.01 0.17 0.90 -0.75 4.36 4.67 1cz7A1 GLN 393 HB2 -0.05 0.02 0.08 -0.04 2.15 2.16 1cz7A1 GLN 393 HB3 -0.06 -0.06 0.01 -0.04 2.02 1.87 1cz7A1 GLN 393 HG2 -0.02 0.01 -0.05 -0.04 2.40 2.30 1cz7A1 GLN 393 HG3 -0.02 -0.02 -0.31 -0.04 2.39 2.00 1cz7A1 GLN 393 HE21 -0.03 0.00 -0.03 -0.04 6.97 6.88 1cz7A1 GLN 393 HE22 -0.02 -0.00 -0.06 -0.04 7.69 7.57 1cz7A1 GLN 394 H -0.04 0.14 0.01 -0.55 8.47 8.03 1cz7A1 GLN 394 HA -0.21 0.20 0.80 -0.75 4.36 4.39 1cz7A1 GLN 394 HB2 0.09 0.07 0.37 -0.04 2.15 2.63 1cz7A1 GLN 394 HB3 0.17 -0.04 0.15 -0.04 2.02 2.26 1cz7A1 GLN 394 HG2 0.07 -0.08 -0.39 -0.04 2.40 1.96 1cz7A1 GLN 394 HG3 0.21 -0.02 -0.00 -0.04 2.39 2.54 1cz7A1 GLN 394 HE21 0.15 0.02 -0.06 -0.04 6.97 7.04 1cz7A1 GLN 394 HE22 0.32 -0.13 -0.11 -0.04 7.69 7.73 1cz7A1 ILE 395 H -0.46 0.24 0.00 -0.55 8.25 7.48 1cz7A1 ILE 395 HA -0.12 0.24 1.15 -0.75 4.18 4.69 1cz7A1 ILE 395 HB -0.02 -0.07 -0.10 -0.04 1.89 1.66 1cz7A1 ILE 395 HG12 -0.00 0.05 -0.28 -0.04 1.49 1.21 1cz7A1 ILE 395 HG13 0.19 -0.00 -0.13 -0.04 1.21 1.23 1cz7A1 ILE 395 HG23 -0.15 0.00 0.00 -0.04 0.93 0.75 1cz7A1 ILE 395 HD13 -0.07 -0.01 -0.09 -0.04 0.88 0.67 1cz7A1 PHE 396 H 0.21 0.60 0.29 -0.55 8.34 8.88 1cz7A1 PHE 396 HA -0.08 0.18 0.97 -0.75 4.62 4.94 1cz7A1 PHE 396 HB2 0.07 -0.01 -0.04 -0.04 3.15 3.13 1cz7A1 PHE 396 HB3 -0.27 0.08 0.00 -0.04 3.06 2.83 1cz7A1 PHE 396 HD2 0.08 0.10 -0.07 -0.04 7.28 7.34 1cz7A1 PHE 396 HE2 0.06 -0.01 -0.11 -0.04 7.38 7.28 1cz7A1 PHE 396 HZ 0.03 -0.01 -0.05 -0.04 7.32 7.25 1cz7A1 SER 397 H -0.14 0.19 0.19 -0.55 8.46 8.15 1cz7A1 SER 397 HA 0.08 0.30 1.10 -0.75 4.49 5.22 1cz7A1 SER 397 HB2 -0.01 0.10 0.09 -0.04 3.95 4.09 1cz7A1 SER 397 HB3 0.02 -0.08 0.01 -0.04 3.93 3.84 1cz7A1 PHE 398 H 0.18 0.60 0.36 -0.55 8.34 8.93 1cz7A1 PHE 398 HA 0.01 0.15 0.78 -0.75 4.62 4.82 1cz7A1 PHE 398 HB2 0.07 0.03 -0.01 -0.04 3.15 3.20 1cz7A1 PHE 398 HB3 0.10 0.22 0.19 -0.04 3.06 3.53 1cz7A1 PHE 398 HD2 0.04 0.03 -0.28 -0.04 7.28 7.03 1cz7A1 PHE 398 HE2 0.06 0.00 -0.16 -0.04 7.38 7.24 1cz7A1 PHE 398 HZ -0.05 -0.07 -0.13 -0.04 7.32 7.03 1cz7A1 ASP 399 H 0.27 0.62 0.43 -0.55 8.40 9.17 1cz7A1 ASP 399 HA 0.11 0.09 0.46 -0.75 4.63 4.54 1cz7A1 ASP 399 HB2 0.37 -0.01 0.16 -0.04 2.71 3.19 1cz7A1 ASP 399 HB3 0.24 0.01 0.23 -0.04 2.70 3.13 1cz7A1 GLN 400 H 0.29 0.09 -0.57 -0.55 8.47 7.73 1cz7A1 GLN 400 HA -0.11 0.14 0.47 -0.75 4.36 4.11 1cz7A1 GLN 400 HB2 -0.22 0.32 0.22 -0.04 2.15 2.43 1cz7A1 GLN 400 HB3 -0.57 -0.12 -0.23 -0.04 2.02 1.06 1cz7A1 GLN 400 HG2 -1.28 -0.10 -0.14 -0.04 2.40 0.84 1cz7A1 GLN 400 HG3 -0.84 0.00 0.06 -0.04 2.39 1.57 1cz7A1 GLN 400 HE21 -0.25 -0.08 0.10 -0.04 6.97 6.69 1cz7A1 GLN 400 HE22 -0.44 0.10 0.21 -0.04 7.69 7.52 1cz7A1 VAL 401 H -0.40 0.42 0.25 -0.55 8.24 7.96 1cz7A1 VAL 401 HA -0.30 0.13 0.98 -0.75 4.13 4.19 1cz7A1 VAL 401 HB -0.21 -0.00 -0.17 -0.04 2.12 1.69 1cz7A1 VAL 401 HG13 -0.23 0.00 -0.18 -0.04 0.97 0.52 1cz7A1 VAL 401 HG23 0.06 0.02 -0.44 -0.04 0.95 0.55 1cz7A1 PHE 402 H -0.10 0.67 0.25 -0.55 8.34 8.61 1cz7A1 PHE 402 HA -0.51 0.10 0.96 -0.75 4.62 4.41 1cz7A1 PHE 402 HB2 -0.16 0.04 0.30 -0.04 3.15 3.29 1cz7A1 PHE 402 HB3 -0.21 -0.00 0.09 -0.04 3.06 2.90 1cz7A1 PHE 402 HD2 -0.15 0.11 -0.01 -0.04 7.28 7.19 1cz7A1 PHE 402 HE2 -0.38 -0.01 -0.17 -0.04 7.38 6.77 1cz7A1 PHE 402 HZ -0.36 0.03 -0.12 -0.04 7.32 6.83 1cz7A1 HIS 403 H -0.97 0.15 0.21 -0.55 8.41 7.25 1cz7A1 HIS 403 HA -0.18 0.23 0.95 -0.75 4.63 4.88 1cz7A1 HIS 403 HB2 -0.05 -0.00 -0.00 -0.04 3.26 3.17 1cz7A1 HIS 403 HB3 -0.39 0.07 -0.03 -0.04 3.20 2.81 1cz7A1 HIS 403 HD2 -0.45 0.08 -0.13 -0.04 6.97 6.42 1cz7A1 HIS 403 HE1 -0.03 0.02 -0.01 -0.04 7.75 7.69 1cz7A1 PRO 404 HA -0.04 0.16 0.39 -0.51 4.44 4.44 1cz7A1 PRO 404 HB2 0.02 -0.01 0.02 -0.04 2.28 2.27 1cz7A1 PRO 404 HB3 -0.03 -0.00 0.14 -0.04 2.02 2.09 1cz7A1 PRO 404 HG2 -0.10 0.03 -0.11 -0.04 2.03 1.81 1cz7A1 PRO 404 HG3 -0.14 -0.00 -0.53 -0.04 2.03 1.32 1cz7A1 PRO 404 HD2 0.06 0.07 0.10 -0.04 3.68 3.88 1cz7A1 PRO 404 HD3 -0.13 0.11 0.12 -0.04 3.65 3.71 1cz7A1 LEU 405 H 0.21 0.08 -0.67 -0.55 8.37 7.45 1cz7A1 LEU 405 HA 0.05 0.22 0.98 -0.75 4.35 4.84 1cz7A1 LEU 405 HB2 0.17 -0.02 0.01 -0.04 1.64 1.77 1cz7A1 LEU 405 HB3 0.08 -0.03 0.17 -0.04 1.64 1.83 1cz7A1 LEU 405 HG 0.04 -0.00 0.01 -0.04 1.64 1.65 1cz7A1 LEU 405 HD13 0.04 -0.00 -0.24 -0.04 0.93 0.68 1cz7A1 LEU 405 HD23 0.02 -0.01 -0.04 -0.04 0.89 0.82 1cz7A1 SER 406 H 0.04 0.79 0.19 -0.55 8.46 8.94 1cz7A1 SER 406 HA 0.04 -0.01 0.72 -0.75 4.49 4.49 1cz7A1 SER 406 HB2 -0.00 0.08 0.14 -0.04 3.95 4.12 1cz7A1 SER 406 HB3 0.11 -0.01 0.06 -0.04 3.93 4.04 1cz7A1 SER 407 H 0.03 0.11 0.21 -0.55 8.46 8.26 1cz7A1 SER 407 HA 0.02 0.20 0.46 -0.75 4.49 4.41 1cz7A1 SER 407 HB2 0.01 -0.07 0.16 -0.04 3.95 4.01 1cz7A1 SER 407 HB3 0.02 0.15 0.14 -0.04 3.93 4.20 1cz7A1 GLN 408 H -0.00 0.19 0.15 -0.55 8.47 8.26 1cz7A1 GLN 408 HA -0.08 0.13 0.40 -0.75 4.36 4.05 1cz7A1 GLN 408 HB2 -0.06 -0.13 0.10 -0.04 2.15 2.02 1cz7A1 GLN 408 HB3 -0.12 0.17 -0.01 -0.04 2.02 2.02 1cz7A1 GLN 408 HG2 -0.02 -0.13 0.02 -0.04 2.40 2.23 1cz7A1 GLN 408 HG3 -0.16 0.28 -0.28 -0.04 2.39 2.19 1cz7A1 GLN 408 HE21 -0.56 0.09 -0.08 -0.04 6.97 6.38 1cz7A1 GLN 408 HE22 -0.56 0.13 -0.17 -0.04 7.69 7.05 1cz7A1 SER 409 H -0.01 0.07 -0.08 -0.55 8.46 7.89 1cz7A1 SER 409 HA 0.06 0.10 0.27 -0.75 4.49 4.17 1cz7A1 SER 409 HB2 0.01 0.03 0.07 -0.04 3.95 4.02 1cz7A1 SER 409 HB3 0.02 -0.03 0.00 -0.04 3.93 3.88 1cz7A1 ASP 410 H -0.00 0.08 -0.80 -0.55 8.40 7.13 1cz7A1 ASP 410 HA 0.06 0.07 0.40 -0.75 4.63 4.40 1cz7A1 ASP 410 HB2 -0.02 0.24 0.09 -0.04 2.71 2.98 1cz7A1 ASP 410 HB3 0.18 0.04 -0.00 -0.04 2.70 2.88 1cz7A1 ILE 411 H -0.22 0.37 -0.04 -0.55 8.25 7.82 1cz7A1 ILE 411 HA -0.49 0.01 0.27 -0.75 4.18 3.22 1cz7A1 ILE 411 HB -0.24 0.14 0.06 -0.04 1.89 1.81 1cz7A1 ILE 411 HG12 -0.58 -0.03 -0.06 -0.04 1.49 0.78 1cz7A1 ILE 411 HG13 -1.23 -0.03 -0.03 -0.04 1.21 -0.12 1cz7A1 ILE 411 HG23 -0.31 -0.02 -0.20 -0.04 0.93 0.36 1cz7A1 ILE 411 HD13 -0.35 -0.03 -0.04 -0.04 0.88 0.42 1cz7A1 PHE 412 H 0.10 0.40 -0.57 -0.55 8.34 7.72 1cz7A1 PHE 412 HA -0.02 0.04 0.38 -0.75 4.62 4.26 1cz7A1 PHE 412 HB2 -0.05 0.06 -0.05 -0.04 3.15 3.06 1cz7A1 PHE 412 HB3 -0.03 0.09 -0.04 -0.04 3.06 3.05 1cz7A1 PHE 412 HD2 -0.02 0.03 -0.06 -0.04 7.28 7.18 1cz7A1 PHE 412 HE2 -0.01 0.02 -0.09 -0.04 7.38 7.26 1cz7A1 PHE 412 HZ -0.01 0.02 -0.23 -0.04 7.32 7.06 1cz7A1 GLU 413 H 0.05 0.74 -0.20 -0.55 8.60 8.65 1cz7A1 GLU 413 HA -0.09 -0.00 0.45 -0.75 4.29 3.89 1cz7A1 GLU 413 HB2 0.03 0.06 0.13 -0.04 2.09 2.27 1cz7A1 GLU 413 HB3 -0.01 -0.04 0.03 -0.04 1.99 1.93 1cz7A1 GLU 413 HG2 0.03 -0.08 0.07 -0.04 2.34 2.31 1cz7A1 GLU 413 HG3 0.05 0.31 0.26 -0.04 2.34 2.91 1cz7A1 MET 414 H 0.03 0.26 -0.20 -0.55 8.47 8.02 1cz7A1 MET 414 HA 0.05 0.06 0.35 -0.75 4.52 4.23 1cz7A1 MET 414 HB2 0.08 0.02 0.06 -0.04 2.15 2.27 1cz7A1 MET 414 HB3 0.27 -0.02 -0.07 -0.04 2.03 2.17 1cz7A1 MET 414 HG2 -0.94 -0.04 -0.05 -0.04 2.63 1.56 1cz7A1 MET 414 HG3 0.24 0.02 0.03 -0.04 2.56 2.81 1cz7A1 MET 414 HE3 0.03 0.00 -0.10 -0.04 2.10 1.99 1cz7A1 VAL 415 H -0.16 0.29 -0.97 -0.55 8.24 6.86 1cz7A1 VAL 415 HA 0.00 0.22 1.09 -0.75 4.13 4.69 1cz7A1 VAL 415 HB -0.16 0.05 0.03 -0.04 2.12 2.00 1cz7A1 VAL 415 HG13 0.03 -0.04 -0.18 -0.04 0.97 0.75 1cz7A1 VAL 415 HG23 0.24 0.02 -0.24 -0.04 0.95 0.93 1cz7A1 SER 416 H -0.63 0.60 0.16 -0.55 8.46 8.04 1cz7A1 SER 416 HA -0.42 -0.06 0.30 -0.75 4.49 3.57 1cz7A1 SER 416 HB2 -0.21 -0.07 0.04 -0.04 3.95 3.67 1cz7A1 SER 416 HB3 -0.63 0.06 0.13 -0.04 3.93 3.45 1cz7A1 PRO 417 HA 0.10 0.03 0.43 -0.51 4.44 4.50 1cz7A1 PRO 417 HB2 -0.00 0.01 -0.01 -0.04 2.28 2.24 1cz7A1 PRO 417 HB3 -0.05 0.03 -0.00 -0.04 2.02 1.96 1cz7A1 PRO 417 HG2 -0.05 0.10 -0.05 -0.04 2.03 1.99 1cz7A1 PRO 417 HG3 -0.06 -0.01 -0.01 -0.04 2.03 1.91 1cz7A1 PRO 417 HD2 -0.08 0.10 -0.64 -0.04 3.68 3.02 1cz7A1 PRO 417 HD3 -0.14 0.22 -0.05 -0.04 3.65 3.65 1cz7A1 LEU 418 H -0.01 0.27 -0.10 -0.55 8.37 7.98 1cz7A1 LEU 418 HA -0.01 0.04 0.32 -0.75 4.35 3.95 1cz7A1 LEU 418 HB2 -0.02 0.11 0.04 -0.04 1.64 1.74 1cz7A1 LEU 418 HB3 -0.02 -0.04 -0.02 -0.04 1.64 1.52 1cz7A1 LEU 418 HG 0.00 0.09 0.06 -0.04 1.64 1.75 1cz7A1 LEU 418 HD13 0.00 -0.01 -0.09 -0.04 0.93 0.79 1cz7A1 LEU 418 HD23 -0.02 -0.00 -0.06 -0.04 0.89 0.78 1cz7A1 ILE 419 H -0.06 0.34 -0.58 -0.55 8.25 7.39 1cz7A1 ILE 419 HA -0.04 -0.02 0.35 -0.75 4.18 3.72 1cz7A1 ILE 419 HB -0.06 0.28 0.12 -0.04 1.89 2.19 1cz7A1 ILE 419 HG12 -0.07 0.06 -0.17 -0.04 1.49 1.27 1cz7A1 ILE 419 HG13 0.09 -0.05 -0.05 -0.04 1.21 1.16 1cz7A1 ILE 419 HG23 -0.03 -0.03 -0.19 -0.04 0.93 0.65 1cz7A1 ILE 419 HD13 0.01 -0.03 -0.14 -0.04 0.88 0.68 1cz7A1 GLN 420 H -0.06 0.48 -0.04 -0.55 8.47 8.31 1cz7A1 GLN 420 HA -0.11 -0.03 0.42 -0.75 4.36 3.88 1cz7A1 GLN 420 HB2 -0.06 -0.05 0.10 -0.04 2.15 2.10 1cz7A1 GLN 420 HB3 -0.11 0.19 0.13 -0.04 2.02 2.19 1cz7A1 GLN 420 HG2 -0.20 -0.02 -0.06 -0.04 2.40 2.08 1cz7A1 GLN 420 HG3 -0.45 0.03 -0.26 -0.04 2.39 1.66 1cz7A1 GLN 420 HE21 0.07 -0.00 -0.07 -0.04 6.97 6.92 1cz7A1 GLN 420 HE22 -0.13 0.02 -0.05 -0.04 7.69 7.49 1cz7A1 SER 421 H -0.12 0.39 -0.37 -0.55 8.46 7.81 1cz7A1 SER 421 HA -0.22 0.06 0.42 -0.75 4.49 3.99 1cz7A1 SER 421 HB2 -0.07 0.19 0.11 -0.04 3.95 4.13 1cz7A1 SER 421 HB3 -0.15 -0.00 -0.09 -0.04 3.93 3.64 1cz7A1 ALA 422 H -0.06 0.47 -0.20 -0.55 8.40 8.06 1cz7A1 ALA 422 HA 0.01 0.36 0.50 -0.75 4.34 4.45 1cz7A1 ALA 422 HB3 -0.05 0.01 -0.03 -0.04 1.41 1.30 1cz7A1 LEU 423 H -0.13 0.37 -0.16 -0.55 8.37 7.91 1cz7A1 LEU 423 HA -0.24 -0.01 0.30 -0.75 4.35 3.65 1cz7A1 LEU 423 HB2 -0.17 0.11 0.03 -0.04 1.64 1.57 1cz7A1 LEU 423 HB3 -0.53 -0.04 -0.05 -0.04 1.64 0.98 1cz7A1 LEU 423 HG -0.24 0.03 -0.01 -0.04 1.64 1.38 1cz7A1 LEU 423 HD13 -0.09 -0.02 -0.07 -0.04 0.93 0.71 1cz7A1 LEU 423 HD23 -0.79 -0.01 -0.08 -0.04 0.89 -0.03 1cz7A1 ASP 424 H -0.09 0.27 -0.73 -0.55 8.40 7.30 1cz7A1 ASP 424 HA -0.16 0.02 0.47 -0.75 4.63 4.22 1cz7A1 ASP 424 HB2 -0.02 0.09 0.14 -0.04 2.71 2.88 1cz7A1 ASP 424 HB3 0.08 -0.06 0.08 -0.04 2.70 2.75 1cz7A1 GLY 425 H -0.03 0.45 -0.51 -0.55 8.43 7.79 1cz7A1 GLY 425 HA2 -0.08 -0.10 -0.13 -0.51 4.01 3.20 1cz7A1 GLY 425 HA3 -0.15 0.09 0.72 -0.51 4.01 4.16 1cz7A1 TYR 426 H 0.19 0.47 0.11 -0.55 8.29 8.50 1cz7A1 TYR 426 HA -0.03 0.19 1.03 -0.75 4.56 5.00 1cz7A1 TYR 426 HB2 -0.04 -0.08 -0.20 -0.04 3.06 2.70 1cz7A1 TYR 426 HB3 -0.02 0.07 -0.05 -0.04 2.98 2.94 1cz7A1 TYR 426 HD2 -0.04 0.13 -0.18 -0.04 7.15 7.02 1cz7A1 TYR 426 HE2 -0.03 -0.01 -0.05 -0.04 6.85 6.71 1cz7A1 ASN 427 H 0.09 0.14 0.18 -0.55 8.53 8.39 1cz7A1 ASN 427 HA 0.01 0.05 0.88 -0.75 4.76 4.95 1cz7A1 ASN 427 HB2 0.02 -0.02 0.25 -0.04 2.88 3.09 1cz7A1 ASN 427 HB3 -0.00 0.06 0.09 -0.04 2.79 2.89 1cz7A1 ASN 427 HD21 -0.02 -0.10 0.03 -0.04 7.03 6.90 1cz7A1 ASN 427 HD22 -0.01 0.51 0.22 -0.04 7.74 8.42 1cz7A1 ILE 428 H -0.01 0.61 0.50 -0.55 8.25 8.80 1cz7A1 ILE 428 HA -0.00 0.36 0.96 -0.75 4.18 4.75 1cz7A1 ILE 428 HB -0.03 -0.13 0.18 -0.04 1.89 1.87 1cz7A1 ILE 428 HG12 -0.01 0.06 -0.10 -0.04 1.49 1.39 1cz7A1 ILE 428 HG13 -0.02 -0.01 -0.13 -0.04 1.21 1.01 1cz7A1 ILE 428 HG23 -0.02 -0.02 -0.07 -0.04 0.93 0.78 1cz7A1 ILE 428 HD13 -0.00 0.04 -0.29 -0.04 0.88 0.59 1cz7A1 CYS 429 H -0.03 0.34 0.30 -0.55 8.50 8.56 1cz7A1 CYS 429 HA -0.20 0.08 0.80 -0.75 4.58 4.50 1cz7A1 CYS 429 HB2 0.03 0.10 0.19 -0.04 2.97 3.24 1cz7A1 CYS 429 HB3 -0.48 -0.07 -0.00 -0.04 2.97 2.37 1cz7A1 ILE 430 H -0.19 0.30 0.13 -0.55 8.25 7.93 1cz7A1 ILE 430 HA 0.05 0.17 0.90 -0.75 4.18 4.54 1cz7A1 ILE 430 HB -0.00 -0.09 0.14 -0.04 1.89 1.90 1cz7A1 ILE 430 HG12 -0.01 -0.05 -0.10 -0.04 1.49 1.29 1cz7A1 ILE 430 HG13 0.08 0.00 -0.09 -0.04 1.21 1.16 1cz7A1 ILE 430 HG23 0.25 -0.00 -0.19 -0.04 0.93 0.95 1cz7A1 ILE 430 HD13 0.04 0.00 -0.33 -0.04 0.88 0.56 1cz7A1 PHE 431 H 0.34 0.48 0.14 -0.55 8.34 8.75 1cz7A1 PHE 431 HA 0.10 0.28 1.23 -0.75 4.62 5.48 1cz7A1 PHE 431 HB2 0.11 -0.01 0.15 -0.04 3.15 3.36 1cz7A1 PHE 431 HB3 0.12 0.01 -0.02 -0.04 3.06 3.13 1cz7A1 PHE 431 HD2 0.04 0.14 0.05 -0.04 7.28 7.46 1cz7A1 PHE 431 HE2 0.01 0.02 -0.07 -0.04 7.38 7.29 1cz7A1 PHE 431 HZ 0.03 0.03 -0.10 -0.04 7.32 7.23 1cz7A1 ALA 432 H 0.23 0.47 0.38 -0.55 8.40 8.93 1cz7A1 ALA 432 HA 0.24 0.10 0.75 -0.75 4.34 4.68 1cz7A1 ALA 432 HB3 0.08 -0.06 0.13 -0.04 1.41 1.52 1cz7A1 TYR 433 H 0.28 0.52 0.28 -0.55 8.29 8.83 1cz7A1 TYR 433 HA 0.07 0.14 0.78 -0.75 4.56 4.79 1cz7A1 TYR 433 HB2 0.05 0.01 -0.22 -0.04 3.06 2.86 1cz7A1 TYR 433 HB3 0.10 0.17 -0.00 -0.04 2.98 3.20 1cz7A1 TYR 433 HD2 -0.05 -0.04 -0.33 -0.04 7.15 6.70 1cz7A1 TYR 433 HE2 -0.15 -0.02 -0.03 -0.04 6.85 6.61 1cz7A1 GLY 434 H -0.54 0.35 0.22 -0.55 8.43 7.91 1cz7A1 GLY 434 HA2 0.07 0.09 0.39 -0.51 4.01 4.05 1cz7A1 GLY 434 HA3 0.05 0.16 0.70 -0.51 4.01 4.41 1cz7A1 GLN 435 H 0.00 0.21 0.16 -0.55 8.47 8.29 1cz7A1 GLN 435 HA -0.07 -0.09 0.65 -0.75 4.36 4.09 1cz7A1 GLN 435 HB2 0.00 0.03 0.13 -0.04 2.15 2.26 1cz7A1 GLN 435 HB3 0.00 0.05 0.04 -0.04 2.02 2.07 1cz7A1 GLN 435 HG2 0.03 -0.00 0.04 -0.04 2.40 2.43 1cz7A1 GLN 435 HG3 0.02 -0.02 -0.29 -0.04 2.39 2.06 1cz7A1 GLN 435 HE21 0.09 -0.04 0.01 -0.04 6.97 6.99 1cz7A1 GLN 435 HE22 0.06 0.21 -0.06 -0.04 7.69 7.86 1cz7A1 THR 436 H -0.02 0.11 0.19 -0.55 8.28 8.01 1cz7A1 THR 436 HA -0.01 0.04 0.39 -0.75 4.39 4.05 1cz7A1 THR 436 HB 0.01 0.03 0.10 -0.04 4.32 4.41 1cz7A1 THR 436 HG23 0.01 0.02 -0.00 -0.04 1.22 1.20 1cz7A1 GLY 437 H 0.01 0.10 0.11 -0.55 8.43 8.11 1cz7A1 GLY 437 HA2 0.03 0.02 0.31 -0.51 4.01 3.86 1cz7A1 GLY 437 HA3 0.05 0.20 0.68 -0.51 4.01 4.43 1cz7A1 SER 438 H 0.01 0.49 -0.43 -0.55 8.46 7.99 1cz7A1 SER 438 HA -0.02 0.06 0.09 -0.75 4.49 3.86 1cz7A1 SER 438 HB2 0.01 -0.07 -0.38 -0.04 3.95 3.47 1cz7A1 SER 438 HB3 0.00 -0.05 -0.37 -0.04 3.93 3.48 1cz7A1 GLY 439 H 0.01 -0.15 -0.11 -0.55 8.43 7.63 1cz7A1 GLY 439 HA2 0.03 0.02 0.08 -0.51 4.01 3.62 1cz7A1 GLY 439 HA3 -0.01 0.36 0.83 -0.51 4.01 4.68 1cz7A1 LYS 440 H 0.03 0.00 -0.00 -0.55 8.42 7.89 1cz7A1 LYS 440 HA 0.02 0.14 0.35 -0.75 4.32 4.08 1cz7A1 LYS 440 HB2 0.03 -0.02 0.05 -0.04 1.87 1.89 1cz7A1 LYS 440 HB3 0.06 0.07 -0.06 -0.04 1.79 1.81 1cz7A1 LYS 440 HG2 0.08 0.02 -0.39 -0.04 1.46 1.13 1cz7A1 LYS 440 HG3 0.03 -0.19 -0.14 -0.04 1.46 1.12 1cz7A1 LYS 440 HD2 0.02 0.20 -0.18 -0.04 1.69 1.69 1cz7A1 LYS 440 HD3 -0.01 0.08 -0.30 -0.04 1.68 1.41 1cz7A1 LYS 440 HE2 -0.03 -0.08 -0.41 -0.04 2.99 2.43 1cz7A1 LYS 440 HE3 -0.01 -0.22 -0.19 -0.04 2.99 2.53 1cz7A1 THR 441 H 0.03 0.15 -0.03 -0.55 8.28 7.88 1cz7A1 THR 441 HA 0.01 0.08 0.31 -0.75 4.39 4.03 1cz7A1 THR 441 HB 0.04 -0.01 -0.06 -0.04 4.32 4.25 1cz7A1 THR 441 HG23 0.00 0.03 -0.02 -0.04 1.22 1.19 1cz7A1 TYR 442 H 0.11 -0.02 -0.69 -0.55 8.29 7.14 1cz7A1 TYR 442 HA -0.04 0.07 0.42 -0.75 4.56 4.26 1cz7A1 TYR 442 HB2 -0.03 -0.07 -0.03 -0.04 3.06 2.89 1cz7A1 TYR 442 HB3 -0.06 0.17 -0.02 -0.04 2.98 3.03 1cz7A1 TYR 442 HD2 -0.06 0.01 -0.19 -0.04 7.15 6.88 1cz7A1 TYR 442 HE2 -0.05 -0.03 -0.07 -0.04 6.85 6.66 1cz7A1 THR 443 H 0.02 0.38 -0.19 -0.55 8.28 7.95 1cz7A1 THR 443 HA -0.14 0.07 0.37 -0.75 4.39 3.94 1cz7A1 THR 443 HB -0.14 -0.07 0.12 -0.04 4.32 4.19 1cz7A1 THR 443 HG23 -0.47 -0.02 -0.14 -0.04 1.22 0.54 1cz7A1 MET 444 H -0.07 0.63 0.07 -0.55 8.47 8.55 1cz7A1 MET 444 HA -0.09 -0.00 0.45 -0.75 4.52 4.13 1cz7A1 MET 444 HB2 -0.02 -0.03 0.04 -0.04 2.15 2.10 1cz7A1 MET 444 HB3 -0.02 0.03 -0.10 -0.04 2.03 1.90 1cz7A1 MET 444 HG2 -0.01 -0.03 -0.03 -0.04 2.63 2.51 1cz7A1 MET 444 HG3 0.02 0.03 -0.15 -0.04 2.56 2.42 1cz7A1 MET 444 HE3 -0.00 0.09 -0.25 -0.04 2.10 1.89 1cz7A1 ASP 445 H -0.07 0.30 -0.01 -0.55 8.40 8.06 1cz7A1 ASP 445 HA -0.07 0.02 0.67 -0.75 4.63 4.50 1cz7A1 ASP 445 HB2 -0.06 0.17 0.19 -0.04 2.71 2.98 1cz7A1 ASP 445 HB3 -0.05 -0.01 -0.05 -0.04 2.70 2.56 1cz7A1 GLY 446 H -0.18 0.40 0.17 -0.55 8.43 8.27 1cz7A1 GLY 446 HA2 -0.68 0.28 0.42 -0.51 4.01 3.53 1cz7A1 GLY 446 HA3 -0.33 0.04 0.77 -0.51 4.01 3.98 1cz7A1 VAL 447 H -0.22 0.57 0.01 -0.55 8.24 8.06 1cz7A1 VAL 447 HA -0.05 0.19 0.60 -0.75 4.13 4.12 1cz7A1 VAL 447 HB 0.01 -0.02 0.05 -0.04 2.12 2.12 1cz7A1 VAL 447 HG13 0.04 0.01 -0.23 -0.04 0.97 0.74 1cz7A1 VAL 447 HG23 0.00 -0.08 -0.03 -0.04 0.95 0.80 1cz7A1 PRO 448 HA -0.03 0.07 0.29 -0.51 4.44 4.27 1cz7A1 PRO 448 HB2 -0.00 0.00 -0.00 -0.04 2.28 2.24 1cz7A1 PRO 448 HB3 -0.01 0.05 0.06 -0.04 2.02 2.08 1cz7A1 PRO 448 HG2 0.00 0.05 0.04 -0.04 2.03 2.09 1cz7A1 PRO 448 HG3 -0.00 0.06 0.04 -0.04 2.03 2.08 1cz7A1 PRO 448 HD2 -0.00 0.09 0.14 -0.04 3.68 3.87 1cz7A1 PRO 448 HD3 -0.01 0.19 0.14 -0.04 3.65 3.93 1cz7A1 GLU 449 H -0.01 -0.02 -0.56 -0.55 8.60 7.47 1cz7A1 GLU 449 HA -0.01 0.11 0.54 -0.75 4.29 4.18 1cz7A1 GLU 449 HB2 0.02 -0.04 0.04 -0.04 2.09 2.07 1cz7A1 GLU 449 HB3 0.01 0.03 0.01 -0.04 1.99 2.00 1cz7A1 GLU 449 HG2 0.02 0.03 -0.01 -0.04 2.34 2.33 1cz7A1 GLU 449 HG3 0.01 0.03 -0.06 -0.04 2.34 2.28 1cz7A1 SER 450 H -0.02 0.03 -0.08 -0.55 8.46 7.85 1cz7A1 SER 450 HA -0.04 0.13 0.83 -0.75 4.49 4.65 1cz7A1 SER 450 HB2 0.04 -0.04 0.17 -0.04 3.95 4.08 1cz7A1 SER 450 HB3 -0.01 0.00 0.10 -0.04 3.93 3.98 1cz7A1 VAL 451 H -0.09 0.13 -0.04 -0.55 8.24 7.69 1cz7A1 VAL 451 HA -0.15 -0.00 0.42 -0.75 4.13 3.64 1cz7A1 VAL 451 HB -0.12 0.00 0.01 -0.04 2.12 1.97 1cz7A1 VAL 451 HG13 -0.07 0.00 -0.09 -0.04 0.97 0.77 1cz7A1 VAL 451 HG23 -0.13 -0.00 -0.06 -0.04 0.95 0.72 1cz7A1 GLY 452 H -0.17 0.54 0.22 -0.55 8.43 8.47 1cz7A1 GLY 452 HA2 -0.23 0.13 0.41 -0.51 4.01 3.81 1cz7A1 GLY 452 HA3 -0.19 0.01 -0.32 -0.51 4.01 3.00 1cz7A1 VAL 453 H -0.14 0.48 0.22 -0.55 8.24 8.25 1cz7A1 VAL 453 HA -0.10 0.03 0.37 -0.75 4.13 3.67 1cz7A1 VAL 453 HB -0.06 0.02 0.16 -0.04 2.12 2.20 1cz7A1 VAL 453 HG13 0.12 -0.02 -0.20 -0.04 0.97 0.83 1cz7A1 VAL 453 HG23 -0.02 0.02 -0.10 -0.04 0.95 0.81 1cz7A1 ILE 454 H -0.06 0.67 0.12 -0.55 8.25 8.42 1cz7A1 ILE 454 HA -0.02 0.01 0.34 -0.75 4.18 3.75 1cz7A1 ILE 454 HB -0.03 0.07 0.07 -0.04 1.89 1.96 1cz7A1 ILE 454 HG12 -0.02 -0.06 -0.01 -0.04 1.49 1.36 1cz7A1 ILE 454 HG13 -0.03 0.19 0.00 -0.04 1.21 1.33 1cz7A1 ILE 454 HG23 0.00 -0.02 -0.16 -0.04 0.93 0.71 1cz7A1 ILE 454 HD13 -0.01 0.00 -0.06 -0.04 0.88 0.77 1cz7A1 PRO 455 HA -0.03 0.01 0.39 -0.51 4.44 4.30 1cz7A1 PRO 455 HB2 -0.12 0.10 -0.06 -0.04 2.28 2.16 1cz7A1 PRO 455 HB3 -0.06 -0.01 0.02 -0.04 2.02 1.92 1cz7A1 PRO 455 HG2 -0.09 0.07 0.07 -0.04 2.03 2.05 1cz7A1 PRO 455 HG3 -0.04 0.00 0.01 -0.04 2.03 1.96 1cz7A1 PRO 455 HD2 -0.11 0.12 -0.31 -0.04 3.68 3.34 1cz7A1 PRO 455 HD3 -0.05 0.07 0.10 -0.04 3.65 3.73 1cz7A1 ARG 456 H -0.25 0.49 -0.38 -0.55 8.46 7.76 1cz7A1 ARG 456 HA -0.27 -0.01 0.41 -0.75 4.34 3.72 1cz7A1 ARG 456 HB2 -1.15 0.13 0.06 -0.04 1.90 0.90 1cz7A1 ARG 456 HB3 -1.60 -0.07 -0.05 -0.04 1.80 0.04 1cz7A1 ARG 456 HG2 -0.44 -0.08 -0.06 -0.04 1.67 1.05 1cz7A1 ARG 456 HG3 -0.34 -0.03 -0.11 -0.04 1.67 1.15 1cz7A1 ARG 456 HD2 -0.49 0.10 -0.23 -0.04 3.22 2.56 1cz7A1 ARG 456 HD3 -0.54 -0.11 -0.16 -0.04 3.22 2.37 1cz7A1 THR 457 H -0.12 0.77 -0.06 -0.55 8.28 8.31 1cz7A1 THR 457 HA 0.28 0.00 0.34 -0.75 4.39 4.25 1cz7A1 THR 457 HB 0.03 0.11 0.14 -0.04 4.32 4.56 1cz7A1 THR 457 HG23 0.04 -0.03 -0.22 -0.04 1.22 0.97 1cz7A1 VAL 458 H 0.00 0.57 -0.23 -0.55 8.24 8.03 1cz7A1 VAL 458 HA 0.05 0.02 0.39 -0.75 4.13 3.83 1cz7A1 VAL 458 HB 0.06 0.20 0.11 -0.04 2.12 2.44 1cz7A1 VAL 458 HG13 0.24 -0.03 -0.18 -0.04 0.97 0.96 1cz7A1 VAL 458 HG23 0.06 0.04 -0.04 -0.04 0.95 0.97 1cz7A1 ASP 459 H 0.02 0.44 -0.13 -0.55 8.40 8.18 1cz7A1 ASP 459 HA 0.13 -0.04 0.35 -0.75 4.63 4.31 1cz7A1 ASP 459 HB2 -0.02 0.14 0.17 -0.04 2.71 2.96 1cz7A1 ASP 459 HB3 0.03 -0.03 -0.01 -0.04 2.70 2.65 1cz7A1 LEU 460 H 0.07 0.60 -0.19 -0.55 8.37 8.31 1cz7A1 LEU 460 HA 0.08 -0.00 0.42 -0.75 4.35 4.09 1cz7A1 LEU 460 HB2 0.25 -0.01 0.07 -0.04 1.64 1.92 1cz7A1 LEU 460 HB3 0.20 0.13 0.10 -0.04 1.64 2.03 1cz7A1 LEU 460 HG 0.05 0.00 -0.22 -0.04 1.64 1.43 1cz7A1 LEU 460 HD13 0.06 -0.02 0.04 -0.04 0.93 0.97 1cz7A1 LEU 460 HD23 0.10 0.01 -0.01 -0.04 0.89 0.95 1cz7A1 LEU 461 H 0.03 0.53 -0.26 -0.55 8.37 8.12 1cz7A1 LEU 461 HA -0.11 0.02 0.37 -0.75 4.35 3.87 1cz7A1 LEU 461 HB2 -0.07 0.28 0.20 -0.04 1.64 2.01 1cz7A1 LEU 461 HB3 -0.30 -0.04 0.03 -0.04 1.64 1.29 1cz7A1 LEU 461 HG -0.27 -0.05 -0.11 -0.04 1.64 1.16 1cz7A1 LEU 461 HD13 -0.18 -0.01 -0.03 -0.04 0.93 0.68 1cz7A1 LEU 461 HD23 -0.09 -0.01 -0.12 -0.04 0.89 0.64 1cz7A1 PHE 462 H 0.08 0.61 -0.07 -0.55 8.34 8.41 1cz7A1 PHE 462 HA 0.01 0.04 0.41 -0.75 4.62 4.33 1cz7A1 PHE 462 HB2 0.01 0.09 0.11 -0.04 3.15 3.32 1cz7A1 PHE 462 HB3 0.02 -0.02 -0.01 -0.04 3.06 3.01 1cz7A1 PHE 462 HD2 0.02 0.09 -0.05 -0.04 7.28 7.30 1cz7A1 PHE 462 HE2 0.02 0.04 -0.23 -0.04 7.38 7.17 1cz7A1 PHE 462 HZ 0.01 -0.00 -0.37 -0.04 7.32 6.91 1cz7A1 ASP 463 H 0.10 0.49 -0.25 -0.55 8.40 8.19 1cz7A1 ASP 463 HA 0.09 0.01 0.49 -0.75 4.63 4.46 1cz7A1 ASP 463 HB2 0.05 0.13 0.22 -0.04 2.71 3.07 1cz7A1 ASP 463 HB3 0.04 -0.02 -0.04 -0.04 2.70 2.64 1cz7A1 SER 464 H 0.01 0.61 -0.05 -0.55 8.46 8.49 1cz7A1 SER 464 HA -0.01 -0.01 0.34 -0.75 4.49 4.05 1cz7A1 SER 464 HB2 -0.06 0.08 0.13 -0.04 3.95 4.06 1cz7A1 SER 464 HB3 0.02 -0.03 0.01 -0.04 3.93 3.88 1cz7A1 ILE 465 H -0.05 0.61 -0.13 -0.55 8.25 8.13 1cz7A1 ILE 465 HA 0.06 -0.01 0.30 -0.75 4.18 3.77 1cz7A1 ILE 465 HB -0.05 0.07 0.11 -0.04 1.89 1.98 1cz7A1 ILE 465 HG12 -0.28 -0.06 -0.05 -0.04 1.49 1.06 1cz7A1 ILE 465 HG13 -0.30 0.15 0.02 -0.04 1.21 1.04 1cz7A1 ILE 465 HG23 0.13 -0.02 -0.18 -0.04 0.93 0.82 1cz7A1 ILE 465 HD13 -0.34 -0.03 -0.21 -0.04 0.88 0.26 1cz7A1 ARG 466 H 0.10 0.44 -0.38 -0.55 8.46 8.07 1cz7A1 ARG 466 HA 0.13 -0.04 0.40 -0.75 4.34 4.07 1cz7A1 ARG 466 HB2 0.12 0.11 0.22 -0.04 1.90 2.31 1cz7A1 ARG 466 HB3 0.07 0.21 0.22 -0.04 1.80 2.26 1cz7A1 ARG 466 HG2 0.06 -0.03 -0.02 -0.04 1.67 1.64 1cz7A1 ARG 466 HG3 0.08 -0.05 0.07 -0.04 1.67 1.73 1cz7A1 ARG 466 HD2 0.06 -0.06 0.03 -0.04 3.22 3.20 1cz7A1 ARG 466 HD3 0.08 -0.03 0.05 -0.04 3.22 3.28 1cz7A1 GLY 467 H 0.06 0.44 -0.15 -0.55 8.43 8.23 1cz7A1 GLY 467 HA2 0.04 -0.02 0.41 -0.51 4.01 3.92 1cz7A1 GLY 467 HA3 -0.02 0.03 0.32 -0.51 4.01 3.83 1cz7A1 TYR 468 H 0.19 0.47 -0.07 -0.55 8.29 8.34 1cz7A1 TYR 468 HA 0.12 -0.02 0.28 -0.75 4.56 4.19 1cz7A1 TYR 468 HB2 0.14 0.15 0.10 -0.04 3.06 3.41 1cz7A1 TYR 468 HB3 0.34 0.00 -0.06 -0.04 2.98 3.22 1cz7A1 TYR 468 HD2 -0.04 0.00 -0.16 -0.04 7.15 6.91 1cz7A1 TYR 468 HE2 -0.31 -0.02 -0.10 -0.04 6.85 6.38 1cz7A1 ARG 469 H 0.21 0.35 -0.59 -0.55 8.46 7.88 1cz7A1 ARG 469 HA 0.20 0.19 0.41 -0.75 4.34 4.38 1cz7A1 ARG 469 HB2 0.14 0.09 0.18 -0.04 1.90 2.27 1cz7A1 ARG 469 HB3 0.11 0.01 0.17 -0.04 1.80 2.05 1cz7A1 ARG 469 HG2 0.08 -0.05 -0.00 -0.04 1.67 1.65 1cz7A1 ARG 469 HG3 0.10 -0.05 -0.03 -0.04 1.67 1.64 1cz7A1 ARG 469 HD2 0.08 -0.07 0.02 -0.04 3.22 3.21 1cz7A1 ARG 469 HD3 0.11 0.03 0.04 -0.04 3.22 3.36 1cz7A1 ASN 470 H 0.11 0.44 -0.04 -0.55 8.53 8.49 1cz7A1 ASN 470 HA 0.08 -0.01 0.34 -0.75 4.76 4.42 1cz7A1 ASN 470 HB2 0.06 0.15 0.09 -0.04 2.88 3.14 1cz7A1 ASN 470 HB3 0.05 -0.08 0.17 -0.04 2.79 2.90 1cz7A1 ASN 470 HD21 0.04 -0.05 0.06 -0.04 7.03 7.04 1cz7A1 ASN 470 HD22 0.03 -0.02 0.07 -0.04 7.74 7.78 1cz7A1 LEU 471 H 0.19 0.43 -0.97 -0.55 8.37 7.47 1cz7A1 LEU 471 HA 0.15 0.09 0.77 -0.75 4.35 4.61 1cz7A1 LEU 471 HB2 0.21 -0.04 -0.07 -0.04 1.64 1.70 1cz7A1 LEU 471 HB3 0.52 -0.01 0.01 -0.04 1.64 2.12 1cz7A1 LEU 471 HG 0.13 -0.02 -0.10 -0.04 1.64 1.60 1cz7A1 LEU 471 HD13 0.00 -0.02 -0.06 -0.04 0.93 0.81 1cz7A1 LEU 471 HD23 0.31 0.01 0.02 -0.04 0.89 1.19 1cz7A1 GLY 472 H 0.13 0.61 0.17 -0.55 8.43 8.79 1cz7A1 GLY 472 HA2 0.09 -0.05 0.38 -0.51 4.01 3.92 1cz7A1 GLY 472 HA3 -0.08 0.19 0.89 -0.51 4.01 4.50 1cz7A1 TRP 473 H 0.26 0.19 -0.13 -0.55 7.97 7.74 1cz7A1 TRP 473 HA -0.03 0.20 0.52 -0.75 4.62 4.54 1cz7A1 TRP 473 HB2 0.13 0.00 -0.02 -0.04 3.23 3.30 1cz7A1 TRP 473 HB3 -0.29 -0.06 -0.21 -0.04 3.23 2.63 1cz7A1 TRP 473 HD1 0.11 -0.01 -0.12 -0.04 7.22 7.16 1cz7A1 TRP 473 HE1 -0.11 0.02 -0.06 -0.04 10.20 10.01 1cz7A1 TRP 473 HE3 -0.29 -0.15 -0.41 -0.04 7.59 6.69 1cz7A1 TRP 473 HZ2 0.16 -0.01 -0.10 -0.04 7.44 7.46 1cz7A1 TRP 473 HZ3 -0.06 -0.04 -0.25 -0.04 7.13 6.74 1cz7A1 TRP 473 HH2 0.09 0.00 -0.27 -0.04 7.19 6.98 1cz7A1 GLU 474 H 0.05 0.55 0.33 -0.55 8.60 8.99 1cz7A1 GLU 474 HA 0.13 0.13 0.90 -0.75 4.29 4.70 1cz7A1 GLU 474 HB2 0.02 0.02 0.27 -0.04 2.09 2.36 1cz7A1 GLU 474 HB3 0.05 -0.00 0.05 -0.04 1.99 2.05 1cz7A1 GLU 474 HG2 0.06 0.09 -0.18 -0.04 2.34 2.27 1cz7A1 GLU 474 HG3 0.04 -0.07 0.03 -0.04 2.34 2.29 1cz7A1 TYR 475 H 0.22 0.17 0.11 -0.55 8.29 8.23 1cz7A1 TYR 475 HA 0.02 0.35 0.98 -0.75 4.56 5.16 1cz7A1 TYR 475 HB2 -0.03 -0.03 0.04 -0.04 3.06 3.00 1cz7A1 TYR 475 HB3 -0.08 -0.03 -0.15 -0.04 2.98 2.67 1cz7A1 TYR 475 HD2 -0.11 -0.01 -0.23 -0.04 7.15 6.76 1cz7A1 TYR 475 HE2 -0.76 0.06 -0.15 -0.04 6.85 5.96 1cz7A1 GLU 476 H 0.10 0.46 0.32 -0.55 8.60 8.93 1cz7A1 GLU 476 HA 0.08 0.13 0.87 -0.75 4.29 4.61 1cz7A1 GLU 476 HB2 0.04 0.04 -0.13 -0.04 2.09 2.00 1cz7A1 GLU 476 HB3 0.03 -0.01 0.14 -0.04 1.99 2.12 1cz7A1 GLU 476 HG2 0.04 -0.03 -0.15 -0.04 2.34 2.15 1cz7A1 GLU 476 HG3 0.06 0.04 0.03 -0.04 2.34 2.42 1cz7A1 ILE 477 H 0.06 0.23 0.14 -0.55 8.25 8.12 1cz7A1 ILE 477 HA -0.01 0.35 1.03 -0.75 4.18 4.80 1cz7A1 ILE 477 HB 0.03 -0.02 0.04 -0.04 1.89 1.90 1cz7A1 ILE 477 HG12 -0.14 0.08 -0.21 -0.04 1.49 1.18 1cz7A1 ILE 477 HG13 -0.15 0.01 -0.19 -0.04 1.21 0.84 1cz7A1 ILE 477 HG23 -0.04 -0.02 -0.16 -0.04 0.93 0.66 1cz7A1 ILE 477 HD13 -0.56 -0.01 -0.17 -0.04 0.88 0.10 1cz7A1 LYS 478 H -0.01 0.44 0.25 -0.55 8.42 8.55 1cz7A1 LYS 478 HA 0.03 0.17 1.05 -0.75 4.32 4.81 1cz7A1 LYS 478 HB2 0.01 -0.02 0.17 -0.04 1.87 1.98 1cz7A1 LYS 478 HB3 0.02 0.03 -0.04 -0.04 1.79 1.77 1cz7A1 LYS 478 HG2 0.03 0.07 -0.21 -0.04 1.46 1.31 1cz7A1 LYS 478 HG3 0.02 0.03 -0.32 -0.04 1.46 1.15 1cz7A1 LYS 478 HD2 0.02 -0.01 -0.10 -0.04 1.69 1.56 1cz7A1 LYS 478 HD3 0.03 0.00 -0.09 -0.04 1.68 1.59 1cz7A1 LYS 478 HE2 0.04 0.02 -0.08 -0.04 2.99 2.93 1cz7A1 LYS 478 HE3 0.03 -0.01 -0.09 -0.04 2.99 2.89 1cz7A1 ALA 479 H 0.04 0.27 0.23 -0.55 8.40 8.39 1cz7A1 ALA 479 HA -0.08 0.39 1.02 -0.75 4.34 4.91 1cz7A1 ALA 479 HB3 0.02 -0.04 0.02 -0.04 1.41 1.37 1cz7A1 THR 480 H -0.20 0.56 0.41 -0.55 8.28 8.50 1cz7A1 THR 480 HA 0.19 0.14 0.78 -0.75 4.39 4.74 1cz7A1 THR 480 HB 0.05 0.02 0.10 -0.04 4.32 4.45 1cz7A1 THR 480 HG23 0.02 0.03 -0.21 -0.04 1.22 1.02 1cz7A1 PHE 481 H 0.36 0.17 0.19 -0.55 8.34 8.51 1cz7A1 PHE 481 HA 0.01 0.31 1.33 -0.75 4.62 5.52 1cz7A1 PHE 481 HB2 0.01 -0.09 0.06 -0.04 3.15 3.08 1cz7A1 PHE 481 HB3 0.01 0.10 -0.04 -0.04 3.06 3.09 1cz7A1 PHE 481 HD2 0.01 -0.04 -0.16 -0.04 7.28 7.05 1cz7A1 PHE 481 HE2 0.01 -0.01 -0.17 -0.04 7.38 7.17 1cz7A1 PHE 481 HZ 0.01 -0.01 -0.16 -0.04 7.32 7.11 1cz7A1 LEU 482 H 0.09 0.65 0.33 -0.55 8.37 8.90 1cz7A1 LEU 482 HA 0.12 0.15 1.01 -0.75 4.35 4.88 1cz7A1 LEU 482 HB2 0.07 0.06 0.09 -0.04 1.64 1.82 1cz7A1 LEU 482 HB3 0.07 -0.09 -0.28 -0.04 1.64 1.29 1cz7A1 LEU 482 HG 0.03 0.09 -0.06 -0.04 1.64 1.66 1cz7A1 LEU 482 HD13 0.04 -0.01 -0.36 -0.04 0.93 0.56 1cz7A1 LEU 482 HD23 -0.00 -0.01 -0.19 -0.04 0.89 0.64 1cz7A1 GLU 483 H 0.15 0.45 0.39 -0.55 8.60 9.05 1cz7A1 GLU 483 HA 0.13 0.31 0.98 -0.75 4.29 4.95 1cz7A1 GLU 483 HB2 0.12 0.04 -0.06 -0.04 2.09 2.15 1cz7A1 GLU 483 HB3 0.24 -0.04 0.04 -0.04 1.99 2.20 1cz7A1 GLU 483 HG2 0.28 -0.11 -0.32 -0.04 2.34 2.16 1cz7A1 GLU 483 HG3 0.14 0.17 -0.01 -0.04 2.34 2.60 1cz7A1 ILE 484 H 0.16 0.58 0.27 -0.55 8.25 8.70 1cz7A1 ILE 484 HA 0.09 0.35 0.96 -0.75 4.18 4.82 1cz7A1 ILE 484 HB 0.23 -0.06 0.18 -0.04 1.89 2.19 1cz7A1 ILE 484 HG12 0.06 0.06 -0.21 -0.04 1.49 1.36 1cz7A1 ILE 484 HG13 0.11 -0.01 -0.36 -0.04 1.21 0.91 1cz7A1 ILE 484 HG23 0.12 -0.03 -0.12 -0.04 0.93 0.86 1cz7A1 ILE 484 HD13 0.08 -0.02 -0.21 -0.04 0.88 0.70 1cz7A1 TYR 485 H 0.28 0.31 0.28 -0.55 8.29 8.61 1cz7A1 TYR 485 HA 0.03 0.31 1.27 -0.75 4.56 5.41 1cz7A1 TYR 485 HB2 0.18 0.00 -0.06 -0.04 3.06 3.14 1cz7A1 TYR 485 HB3 0.36 -0.03 0.08 -0.04 2.98 3.35 1cz7A1 TYR 485 HD2 0.03 -0.03 -0.23 -0.04 7.15 6.89 1cz7A1 TYR 485 HE2 -0.00 -0.08 0.00 -0.04 6.85 6.73 1cz7A1 ASN 486 H 0.21 -0.06 0.16 -0.55 8.53 8.29 1cz7A1 ASN 486 HA -0.00 0.37 0.66 -0.75 4.76 5.03 1cz7A1 ASN 486 HB2 0.42 0.01 -0.22 -0.04 2.88 3.04 1cz7A1 ASN 486 HB3 0.17 -0.02 0.17 -0.04 2.79 3.07 1cz7A1 ASN 486 HD21 0.03 -0.04 0.08 -0.04 7.03 7.06 1cz7A1 ASN 486 HD22 0.05 -0.02 0.13 -0.04 7.74 7.86 1cz7A1 GLU 487 H 0.06 0.14 0.02 -0.55 8.60 8.27 1cz7A1 GLU 487 HA 0.04 -0.09 0.31 -0.75 4.29 3.80 1cz7A1 GLU 487 HB2 0.03 0.38 0.48 -0.04 2.09 2.94 1cz7A1 GLU 487 HB3 0.03 -0.02 0.28 -0.04 1.99 2.23 1cz7A1 GLU 487 HG2 0.03 0.07 -0.29 -0.04 2.34 2.11 1cz7A1 GLU 487 HG3 0.03 0.06 0.02 -0.04 2.34 2.40 1cz7A1 VAL 488 H 0.03 -0.10 0.08 -0.55 8.24 7.69 1cz7A1 VAL 488 HA -0.11 0.20 0.75 -0.75 4.13 4.22 1cz7A1 VAL 488 HB 0.03 -0.24 0.05 -0.04 2.12 1.92 1cz7A1 VAL 488 HG13 -0.37 0.04 -0.10 -0.04 0.97 0.50 1cz7A1 VAL 488 HG23 0.03 0.07 -0.35 -0.04 0.95 0.65 1cz7A1 LEU 489 H -0.22 0.21 0.15 -0.55 8.37 7.97 1cz7A1 LEU 489 HA -0.17 0.29 1.01 -0.75 4.35 4.72 1cz7A1 LEU 489 HB2 -0.13 0.01 0.05 -0.04 1.64 1.53 1cz7A1 LEU 489 HB3 -0.08 0.02 -0.10 -0.04 1.64 1.43 1cz7A1 LEU 489 HG -0.04 -0.01 -0.15 -0.04 1.64 1.41 1cz7A1 LEU 489 HD13 -0.06 -0.01 -0.12 -0.04 0.93 0.70 1cz7A1 LEU 489 HD23 -0.06 0.00 -0.18 -0.04 0.89 0.61 1cz7A1 TYR 490 H 0.01 0.59 0.35 -0.55 8.29 8.69 1cz7A1 TYR 490 HA 0.01 0.16 0.97 -0.75 4.56 4.95 1cz7A1 TYR 490 HB2 0.03 -0.08 0.08 -0.04 3.06 3.05 1cz7A1 TYR 490 HB3 0.01 0.14 -0.04 -0.04 2.98 3.05 1cz7A1 TYR 490 HD2 0.03 -0.00 -0.11 -0.04 7.15 7.02 1cz7A1 TYR 490 HE2 0.04 -0.06 -0.05 -0.04 6.85 6.74 1cz7A1 ASP 491 H 0.09 0.16 0.13 -0.55 8.40 8.24 1cz7A1 ASP 491 HA 0.07 0.10 0.63 -0.75 4.63 4.68 1cz7A1 ASP 491 HB2 0.04 0.07 0.11 -0.04 2.71 2.88 1cz7A1 ASP 491 HB3 0.05 0.06 0.20 -0.04 2.70 2.97 1cz7A1 LEU 492 H 0.10 0.74 0.45 -0.55 8.37 9.12 1cz7A1 LEU 492 HA 0.03 0.30 0.90 -0.75 4.35 4.83 1cz7A1 LEU 492 HB2 0.06 -0.06 -0.02 -0.04 1.64 1.58 1cz7A1 LEU 492 HB3 -0.00 0.14 0.12 -0.04 1.64 1.86 1cz7A1 LEU 492 HG 0.11 -0.07 -0.18 -0.04 1.64 1.45 1cz7A1 LEU 492 HD13 0.10 0.02 -0.24 -0.04 0.93 0.76 1cz7A1 LEU 492 HD23 0.05 0.01 -0.17 -0.04 0.89 0.74 1cz7A1 LEU 493 H 0.04 -0.03 -0.18 -0.55 8.37 7.65 1cz7A1 LEU 493 HA -0.06 0.29 1.00 -0.75 4.35 4.82 1cz7A1 LEU 493 HB2 0.05 -0.06 0.13 -0.04 1.64 1.72 1cz7A1 LEU 493 HB3 0.02 -0.02 0.07 -0.04 1.64 1.67 1cz7A1 LEU 493 HG -0.05 -0.02 -0.06 -0.04 1.64 1.46 1cz7A1 LEU 493 HD13 0.07 0.01 -0.02 -0.04 0.93 0.94 1cz7A1 LEU 493 HD23 -0.23 0.06 0.04 -0.04 0.89 0.72 1cz7A1 SER 494 H 0.02 0.23 -0.15 -0.55 8.46 8.02 1cz7A1 SER 494 HA 0.01 0.19 0.86 -0.75 4.49 4.80 1cz7A1 SER 494 HB2 0.02 0.02 0.05 -0.04 3.95 4.00 1cz7A1 SER 494 HB3 0.03 -0.04 -0.15 -0.04 3.93 3.73 1cz7A1 ASN 495 H 0.00 0.16 0.13 -0.55 8.53 8.28 1cz7A1 ASN 495 HA 0.00 0.27 0.80 -0.75 4.76 5.08 1cz7A1 ASN 495 HB2 -0.00 -0.00 0.05 -0.04 2.88 2.88 1cz7A1 ASN 495 HB3 -0.01 0.05 0.14 -0.04 2.79 2.93 1cz7A1 ASN 495 HD21 -0.03 -0.00 -0.07 -0.04 7.03 6.89 1cz7A1 ASN 495 HD22 -0.03 0.05 0.00 -0.04 7.74 7.72 1cz7A1 GLU 496 H 0.01 -0.02 -0.12 -0.55 8.60 7.93 1cz7A1 GLU 496 HA 0.01 0.11 0.32 -0.75 4.29 3.98 1cz7A1 GLU 496 HB2 0.01 -0.04 0.10 -0.04 2.09 2.12 1cz7A1 GLU 496 HB3 0.02 -0.02 0.05 -0.04 1.99 1.99 1cz7A1 GLU 496 HG2 0.01 0.04 0.09 -0.04 2.34 2.44 1cz7A1 GLU 496 HG3 0.01 0.04 0.05 -0.04 2.34 2.39 1cz7A1 GLN 497 H 0.02 0.75 -0.50 -0.55 8.47 8.20 1cz7A1 GLN 497 HA 0.05 -0.07 0.28 -0.75 4.36 3.86 1cz7A1 GLN 497 HB2 0.03 0.05 0.15 -0.04 2.15 2.33 1cz7A1 GLN 497 HB3 0.02 -0.04 0.12 -0.04 2.02 2.07 1cz7A1 GLN 497 HG2 0.03 -0.05 0.02 -0.04 2.40 2.37 1cz7A1 GLN 497 HG3 0.03 0.00 -0.11 -0.04 2.39 2.27 1cz7A1 GLN 497 HE21 0.27 -0.01 0.03 -0.04 6.97 7.21 1cz7A1 GLN 497 HE22 0.08 -0.01 0.05 -0.04 7.69 7.77 1cz7A1 LYS 498 H 0.03 -0.02 0.03 -0.55 8.42 7.92 1cz7A1 LYS 498 HA 0.01 0.26 1.00 -0.75 4.32 4.83 1cz7A1 LYS 498 HB2 0.01 -0.01 0.04 -0.04 1.87 1.86 1cz7A1 LYS 498 HB3 0.00 -0.15 0.20 -0.04 1.79 1.80 1cz7A1 LYS 498 HG2 0.01 0.05 -0.02 -0.04 1.46 1.46 1cz7A1 LYS 498 HG3 0.02 0.13 -0.11 -0.04 1.46 1.46 1cz7A1 LYS 498 HD2 0.01 0.05 0.01 -0.04 1.69 1.71 1cz7A1 LYS 498 HD3 0.01 -0.03 0.02 -0.04 1.68 1.64 1cz7A1 LYS 498 HE2 0.01 0.01 -0.00 -0.04 2.99 2.97 1cz7A1 LYS 498 HE3 0.02 -0.03 -0.02 -0.04 2.99 2.92 1cz7A1 ASP 499 H -0.01 0.19 0.10 -0.55 8.40 8.13 1cz7A1 ASP 499 HA -0.03 0.16 0.92 -0.75 4.63 4.93 1cz7A1 ASP 499 HB2 -0.01 -0.04 0.12 -0.04 2.71 2.74 1cz7A1 ASP 499 HB3 -0.02 0.03 0.00 -0.04 2.70 2.68 1cz7A1 MET 500 H -0.06 0.15 0.11 -0.55 8.47 8.12 1cz7A1 MET 500 HA -0.07 0.32 0.75 -0.75 4.52 4.76 1cz7A1 MET 500 HB2 -0.08 -0.09 -0.08 -0.04 2.15 1.85 1cz7A1 MET 500 HB3 -0.09 0.08 -0.02 -0.04 2.03 1.96 1cz7A1 MET 500 HG2 -0.03 0.09 -0.24 -0.04 2.63 2.41 1cz7A1 MET 500 HG3 -0.05 -0.01 -0.11 -0.04 2.56 2.36 1cz7A1 MET 500 HE3 -0.00 0.01 -0.28 -0.04 2.10 1.79 1cz7A1 GLU 501 H -0.14 0.17 0.28 -0.55 8.60 8.37 1cz7A1 GLU 501 HA -0.08 0.15 0.86 -0.75 4.29 4.46 1cz7A1 GLU 501 HB2 -0.07 -0.03 -0.01 -0.04 2.09 1.94 1cz7A1 GLU 501 HB3 -0.06 0.06 -0.16 -0.04 1.99 1.80 1cz7A1 GLU 501 HG2 -0.02 0.01 0.04 -0.04 2.34 2.32 1cz7A1 GLU 501 HG3 -0.04 0.10 -0.31 -0.04 2.34 2.05 1cz7A1 ILE 502 H -0.10 0.17 0.12 -0.55 8.25 7.89 1cz7A1 ILE 502 HA -0.22 0.22 0.81 -0.75 4.18 4.24 1cz7A1 ILE 502 HB -0.34 -0.02 0.12 -0.04 1.89 1.61 1cz7A1 ILE 502 HG12 -0.17 0.04 -0.12 -0.04 1.49 1.19 1cz7A1 ILE 502 HG13 -0.13 -0.12 -0.10 -0.04 1.21 0.82 1cz7A1 ILE 502 HG23 -0.64 0.01 -0.28 -0.04 0.93 -0.02 1cz7A1 ILE 502 HD13 -0.09 -0.02 -0.04 -0.04 0.88 0.69 1cz7A1 ARG 503 H -0.12 0.66 0.37 -0.55 8.46 8.82 1cz7A1 ARG 503 HA 0.05 0.17 0.92 -0.75 4.34 4.73 1cz7A1 ARG 503 HB2 0.30 0.07 -0.11 -0.04 1.90 2.12 1cz7A1 ARG 503 HB3 0.11 -0.02 0.02 -0.04 1.80 1.87 1cz7A1 ARG 503 HG2 -0.01 0.02 -0.57 -0.04 1.67 1.07 1cz7A1 ARG 503 HG3 -0.14 0.12 -0.37 -0.04 1.67 1.23 1cz7A1 ARG 503 HD2 -0.05 -0.07 -0.09 -0.04 3.22 2.97 1cz7A1 ARG 503 HD3 0.31 0.01 -0.11 -0.04 3.22 3.39 1cz7A1 MET 504 H 0.10 0.07 0.11 -0.55 8.47 8.20 1cz7A1 MET 504 HA 0.07 0.27 0.49 -0.75 4.52 4.60 1cz7A1 MET 504 HB2 0.05 -0.10 0.06 -0.04 2.15 2.12 1cz7A1 MET 504 HB3 0.03 0.08 -0.01 -0.04 2.03 2.10 1cz7A1 MET 504 HG2 0.06 0.24 0.08 -0.04 2.63 2.98 1cz7A1 MET 504 HG3 0.08 -0.11 0.08 -0.04 2.56 2.57 1cz7A1 MET 504 HE3 0.04 -0.02 0.02 -0.04 2.10 2.10 1cz7A1 ALA 505 H 0.04 0.69 0.09 -0.55 8.40 8.67 1cz7A1 ALA 505 HA -0.09 0.00 0.31 -0.75 4.34 3.80 1cz7A1 ALA 505 HB3 -0.01 0.02 -0.16 -0.04 1.41 1.23 1cz7A1 LYS 506 H -0.21 0.12 0.08 -0.55 8.42 7.85 1cz7A1 LYS 506 HA -0.07 0.12 0.18 -0.75 4.32 3.79 1cz7A1 LYS 506 HB2 -0.09 0.02 0.06 -0.04 1.87 1.81 1cz7A1 LYS 506 HB3 -0.18 0.01 0.10 -0.04 1.79 1.68 1cz7A1 LYS 506 HG2 -0.10 -0.10 -0.02 -0.04 1.46 1.20 1cz7A1 LYS 506 HG3 -0.06 0.03 -0.35 -0.04 1.46 1.04 1cz7A1 LYS 506 HD2 -0.08 0.01 -0.03 -0.04 1.69 1.54 1cz7A1 LYS 506 HD3 -0.13 -0.00 -0.01 -0.04 1.68 1.49 1cz7A1 LYS 506 HE2 -0.05 0.00 -0.07 -0.04 2.99 2.83 1cz7A1 LYS 506 HE3 -0.05 0.00 -0.06 -0.04 2.99 2.85 1cz7A1 ASN 507 H -0.05 0.07 -0.36 -0.55 8.53 7.64 1cz7A1 ASN 507 HA -0.03 0.28 1.01 -0.75 4.76 5.27 1cz7A1 ASN 507 HB2 -0.03 -0.02 0.02 -0.04 2.88 2.81 1cz7A1 ASN 507 HB3 -0.02 0.02 0.19 -0.04 2.79 2.95 1cz7A1 ASN 507 HD21 -0.03 -0.00 -0.05 -0.04 7.03 6.91 1cz7A1 ASN 507 HD22 -0.02 0.01 -0.03 -0.04 7.74 7.66 1cz7A1 ASN 508 H -0.02 0.52 -0.58 -0.55 8.53 7.91 1cz7A1 ASN 508 HA -0.01 0.06 0.45 -0.75 4.76 4.50 1cz7A1 ASN 508 HB2 -0.02 0.22 -0.34 -0.04 2.88 2.70 1cz7A1 ASN 508 HB3 -0.01 -0.08 0.06 -0.04 2.79 2.72 1cz7A1 ASN 508 HD21 -0.02 0.05 0.01 -0.04 7.03 7.04 1cz7A1 ASN 508 HD22 -0.02 0.04 -0.00 -0.04 7.74 7.72 1cz7A1 LYS 509 H 0.00 0.17 0.08 -0.55 8.42 8.12 1cz7A1 LYS 509 HA 0.01 0.12 0.36 -0.75 4.32 4.06 1cz7A1 LYS 509 HB2 0.02 0.03 0.10 -0.04 1.87 1.98 1cz7A1 LYS 509 HB3 0.01 0.01 0.10 -0.04 1.79 1.87 1cz7A1 LYS 509 HG2 0.01 -0.03 0.07 -0.04 1.46 1.46 1cz7A1 LYS 509 HG3 0.01 0.03 -0.11 -0.04 1.46 1.35 1cz7A1 LYS 509 HD2 0.02 0.02 -0.03 -0.04 1.69 1.66 1cz7A1 LYS 509 HD3 0.01 -0.01 0.01 -0.04 1.68 1.65 1cz7A1 LYS 509 HE2 0.01 -0.01 -0.01 -0.04 2.99 2.95 1cz7A1 LYS 509 HE3 0.02 0.02 -0.04 -0.04 2.99 2.94 1cz7A1 ASN 510 H 0.00 -0.06 -0.48 -0.55 8.53 7.44 1cz7A1 ASN 510 HA 0.01 0.18 0.70 -0.75 4.76 4.89 1cz7A1 ASN 510 HB2 -0.01 -0.02 0.01 -0.04 2.88 2.82 1cz7A1 ASN 510 HB3 -0.01 0.03 0.04 -0.04 2.79 2.81 1cz7A1 ASN 510 HD21 0.01 0.01 -0.01 -0.04 7.03 7.00 1cz7A1 ASN 510 HD22 -0.00 0.02 0.01 -0.04 7.74 7.72 1cz7A1 ASP 511 H -0.00 0.15 -0.11 -0.55 8.40 7.88 1cz7A1 ASP 511 HA -0.01 0.15 0.72 -0.75 4.63 4.73 1cz7A1 ASP 511 HB2 -0.01 -0.05 0.06 -0.04 2.71 2.67 1cz7A1 ASP 511 HB3 0.00 -0.05 -0.00 -0.04 2.70 2.60 1cz7A1 ILE 512 H -0.00 0.16 0.16 -0.55 8.25 8.02 1cz7A1 ILE 512 HA 0.03 0.24 0.80 -0.75 4.18 4.50 1cz7A1 ILE 512 HB -0.03 0.04 0.01 -0.04 1.89 1.86 1cz7A1 ILE 512 HG12 -0.11 0.16 -0.17 -0.04 1.49 1.32 1cz7A1 ILE 512 HG13 -0.18 -0.10 -0.17 -0.04 1.21 0.71 1cz7A1 ILE 512 HG23 -0.07 -0.02 -0.26 -0.04 0.93 0.54 1cz7A1 ILE 512 HD13 0.07 0.04 -0.32 -0.04 0.88 0.63 1cz7A1 TYR 513 H 0.06 0.55 0.26 -0.55 8.29 8.61 1cz7A1 TYR 513 HA -0.04 0.08 0.68 -0.75 4.56 4.54 1cz7A1 TYR 513 HB2 -0.02 0.01 -0.04 -0.04 3.06 2.96 1cz7A1 TYR 513 HB3 -0.02 0.02 -0.40 -0.04 2.98 2.54 1cz7A1 TYR 513 HD2 -0.02 0.07 -0.22 -0.04 7.15 6.94 1cz7A1 TYR 513 HE2 -0.01 -0.02 -0.12 -0.04 6.85 6.67 1cz7A1 VAL 514 H -0.14 0.17 0.08 -0.55 8.24 7.80 1cz7A1 VAL 514 HA -0.36 0.38 1.09 -0.75 4.13 4.49 1cz7A1 VAL 514 HB -0.11 -0.02 0.03 -0.04 2.12 1.97 1cz7A1 VAL 514 HG13 -0.12 -0.02 -0.26 -0.04 0.97 0.53 1cz7A1 VAL 514 HG23 -0.12 0.00 -0.21 -0.04 0.95 0.59 1cz7A1 SER 515 H -0.40 0.48 0.30 -0.55 8.46 8.30 1cz7A1 SER 515 HA -0.30 0.09 0.65 -0.75 4.49 4.17 1cz7A1 SER 515 HB2 -0.05 0.02 0.06 -0.04 3.95 3.93 1cz7A1 SER 515 HB3 -0.27 0.07 0.08 -0.04 3.93 3.77 1cz7A1 ASN 516 H -0.01 0.17 0.16 -0.55 8.53 8.30 1cz7A1 ASN 516 HA 0.01 0.04 0.29 -0.75 4.76 4.34 1cz7A1 ASN 516 HB2 -0.03 0.31 0.04 -0.04 2.88 3.16 1cz7A1 ASN 516 HB3 -0.01 -0.07 0.13 -0.04 2.79 2.80 1cz7A1 ASN 516 HD21 -0.00 -0.02 -0.04 -0.04 7.03 6.92 1cz7A1 ASN 516 HD22 -0.03 0.27 -0.14 -0.04 7.74 7.79 1cz7A1 ILE 517 H -0.03 0.20 -0.28 -0.55 8.25 7.59 1cz7A1 ILE 517 HA 0.01 0.06 0.53 -0.75 4.18 4.03 1cz7A1 ILE 517 HB 0.02 0.14 -0.32 -0.04 1.89 1.69 1cz7A1 ILE 517 HG12 -0.04 -0.04 -0.08 -0.04 1.49 1.28 1cz7A1 ILE 517 HG13 -0.08 -0.06 -0.35 -0.04 1.21 0.69 1cz7A1 ILE 517 HG23 0.01 -0.03 -0.10 -0.04 0.93 0.77 1cz7A1 ILE 517 HD13 0.01 0.02 0.04 -0.04 0.88 0.91 1cz7A1 THR 518 H 0.05 0.04 0.16 -0.55 8.28 7.98 1cz7A1 THR 518 HA 0.05 0.10 0.49 -0.75 4.39 4.27 1cz7A1 THR 518 HB 0.07 -0.08 0.17 -0.04 4.32 4.44 1cz7A1 THR 518 HG23 0.06 0.01 -0.08 -0.04 1.22 1.17 1cz7A1 GLU 519 H 0.06 0.18 0.01 -0.55 8.60 8.31 1cz7A1 GLU 519 HA 0.08 0.33 0.93 -0.75 4.29 4.87 1cz7A1 GLU 519 HB2 0.05 -0.01 -0.20 -0.04 2.09 1.89 1cz7A1 GLU 519 HB3 0.05 -0.04 0.12 -0.04 1.99 2.08 1cz7A1 GLU 519 HG2 0.05 -0.00 -0.17 -0.04 2.34 2.17 1cz7A1 GLU 519 HG3 0.04 0.07 -0.22 -0.04 2.34 2.18 1cz7A1 GLU 520 H 0.12 0.15 0.01 -0.55 8.60 8.32 1cz7A1 GLU 520 HA 0.10 0.06 0.51 -0.75 4.29 4.21 1cz7A1 GLU 520 HB2 0.13 -0.01 0.04 -0.04 2.09 2.21 1cz7A1 GLU 520 HB3 0.17 -0.01 -0.01 -0.04 1.99 2.10 1cz7A1 GLU 520 HG2 0.11 -0.05 -0.02 -0.04 2.34 2.33 1cz7A1 GLU 520 HG3 0.14 0.00 0.00 -0.04 2.34 2.45 1cz7A1 THR 521 H 0.10 0.13 0.13 -0.55 8.28 8.10 1cz7A1 THR 521 HA 0.04 0.22 1.17 -0.75 4.39 5.07 1cz7A1 THR 521 HB 0.06 0.16 0.13 -0.04 4.32 4.63 1cz7A1 THR 521 HG23 0.06 -0.00 0.00 -0.04 1.22 1.23 1cz7A1 VAL 522 H -0.01 0.09 -0.03 -0.55 8.24 7.74 1cz7A1 VAL 522 HA -0.51 -0.09 0.22 -0.75 4.13 3.00 1cz7A1 VAL 522 HB 0.16 0.05 -0.03 -0.04 2.12 2.26 1cz7A1 VAL 522 HG13 0.18 -0.03 -0.22 -0.04 0.97 0.86 1cz7A1 VAL 522 HG23 0.02 0.01 -0.06 -0.04 0.95 0.88 1cz7A1 LEU 523 H -0.03 -0.04 0.15 -0.55 8.37 7.91 1cz7A1 LEU 523 HA 0.15 0.31 0.91 -0.75 4.35 4.97 1cz7A1 LEU 523 HB2 0.42 -0.12 0.14 -0.04 1.64 2.04 1cz7A1 LEU 523 HB3 0.09 -0.01 0.09 -0.04 1.64 1.77 1cz7A1 LEU 523 HG 0.12 0.05 0.09 -0.04 1.64 1.86 1cz7A1 LEU 523 HD13 0.27 0.01 -0.12 -0.04 0.93 1.05 1cz7A1 LEU 523 HD23 0.05 -0.02 0.04 -0.04 0.89 0.92 1cz7A1 ASP 524 H -0.11 0.06 0.05 -0.55 8.40 7.85 1cz7A1 ASP 524 HA -1.89 0.19 0.22 -0.75 4.63 2.40 1cz7A1 ASP 524 HB2 -0.42 0.06 0.20 -0.04 2.71 2.51 1cz7A1 ASP 524 HB3 -0.26 0.54 0.47 -0.04 2.70 3.40 1cz7A1 PRO 525 HA -0.01 0.06 0.31 -0.51 4.44 4.29 1cz7A1 PRO 525 HB2 -0.08 0.02 0.03 -0.04 2.28 2.21 1cz7A1 PRO 525 HB3 -0.01 0.08 0.05 -0.04 2.02 2.09 1cz7A1 PRO 525 HG2 -0.06 0.11 0.05 -0.04 2.03 2.09 1cz7A1 PRO 525 HG3 0.05 0.08 -0.02 -0.04 2.03 2.10 1cz7A1 PRO 525 HD2 -0.36 0.14 0.16 -0.04 3.68 3.58 1cz7A1 PRO 525 HD3 -1.18 0.19 0.16 -0.04 3.65 2.77 1cz7A1 ASN 526 H -0.10 0.11 -0.48 -0.55 8.53 7.51 1cz7A1 ASN 526 HA 0.00 0.12 0.41 -0.75 4.76 4.53 1cz7A1 ASN 526 HB2 -0.04 0.02 0.08 -0.04 2.88 2.90 1cz7A1 ASN 526 HB3 -0.01 0.02 0.06 -0.04 2.79 2.82 1cz7A1 ASN 526 HD21 -0.03 0.05 -0.01 -0.04 7.03 7.00 1cz7A1 ASN 526 HD22 -0.04 0.01 0.00 -0.04 7.74 7.67 1cz7A1 HIS 527 H 0.08 0.15 0.04 -0.55 8.41 8.13 1cz7A1 HIS 527 HA 0.00 0.05 0.37 -0.75 4.63 4.31 1cz7A1 HIS 527 HB2 -0.03 0.09 0.14 -0.04 3.26 3.43 1cz7A1 HIS 527 HB3 -0.00 -0.13 0.15 -0.04 3.20 3.17 1cz7A1 HIS 527 HD2 0.10 -0.08 0.14 -0.04 6.97 7.08 1cz7A1 HIS 527 HE1 0.05 0.13 -0.11 -0.04 7.75 7.78 1cz7A1 LEU 528 H 0.07 0.39 -0.73 -0.55 8.37 7.55 1cz7A1 LEU 528 HA 0.09 0.04 0.57 -0.75 4.35 4.29 1cz7A1 LEU 528 HB2 0.09 -0.10 -0.09 -0.04 1.64 1.49 1cz7A1 LEU 528 HB3 0.11 0.12 -0.06 -0.04 1.64 1.76 1cz7A1 LEU 528 HG 0.15 0.04 -0.14 -0.04 1.64 1.65 1cz7A1 LEU 528 HD13 0.22 -0.02 -0.03 -0.04 0.93 1.06 1cz7A1 LEU 528 HD23 0.17 -0.01 -0.12 -0.04 0.89 0.89 1cz7A1 ARG 529 H 0.08 0.72 0.19 -0.55 8.46 8.90 1cz7A1 ARG 529 HA 0.07 0.00 0.38 -0.75 4.34 4.04 1cz7A1 ARG 529 HB2 0.04 0.23 0.27 -0.04 1.90 2.39 1cz7A1 ARG 529 HB3 0.05 -0.06 0.13 -0.04 1.80 1.88 1cz7A1 ARG 529 HG2 0.03 -0.04 -0.03 -0.04 1.67 1.60 1cz7A1 ARG 529 HG3 0.03 -0.01 0.05 -0.04 1.67 1.70 1cz7A1 ARG 529 HD2 0.01 -0.03 -0.02 -0.04 3.22 3.14 1cz7A1 ARG 529 HD3 0.00 -0.00 -0.02 -0.04 3.22 3.16 1cz7A1 HIS 530 H 0.18 0.51 -0.20 -0.55 8.41 8.35 1cz7A1 HIS 530 HA 0.02 0.03 0.35 -0.75 4.63 4.28 1cz7A1 HIS 530 HB2 0.01 -0.01 0.00 -0.04 3.26 3.23 1cz7A1 HIS 530 HB3 0.09 0.15 0.12 -0.04 3.20 3.51 1cz7A1 HIS 530 HD2 0.05 0.02 -0.03 -0.04 6.97 6.97 1cz7A1 HIS 530 HE1 -0.01 0.02 -0.03 -0.04 7.75 7.68 1cz7A1 LEU 531 H 0.25 0.49 0.00 -0.55 8.37 8.57 1cz7A1 LEU 531 HA -0.14 -0.02 0.37 -0.75 4.35 3.81 1cz7A1 LEU 531 HB2 0.10 0.10 0.19 -0.04 1.64 1.99 1cz7A1 LEU 531 HB3 -0.17 -0.01 -0.06 -0.04 1.64 1.35 1cz7A1 LEU 531 HG 0.33 -0.00 0.11 -0.04 1.64 2.04 1cz7A1 LEU 531 HD13 0.02 -0.00 -0.11 -0.04 0.93 0.80 1cz7A1 LEU 531 HD23 0.07 -0.01 0.01 -0.04 0.89 0.92 1cz7A1 MET 532 H -0.00 0.60 -0.51 -0.55 8.47 8.02 1cz7A1 MET 532 HA -0.21 -0.03 0.39 -0.75 4.52 3.92 1cz7A1 MET 532 HB2 0.07 0.21 0.16 -0.04 2.15 2.55 1cz7A1 MET 532 HB3 0.08 -0.08 -0.03 -0.04 2.03 1.96 1cz7A1 MET 532 HG2 0.48 -0.06 -0.04 -0.04 2.63 2.96 1cz7A1 MET 532 HG3 0.32 0.08 -0.02 -0.04 2.56 2.89 1cz7A1 MET 532 HE3 0.12 0.03 -0.30 -0.04 2.10 1.91 1cz7A1 HIS 533 H -0.01 0.60 0.01 -0.55 8.41 8.47 1cz7A1 HIS 533 HA -0.08 -0.02 0.44 -0.75 4.63 4.21 1cz7A1 HIS 533 HB2 -0.07 0.03 0.15 -0.04 3.26 3.33 1cz7A1 HIS 533 HB3 -0.20 0.03 0.24 -0.04 3.20 3.23 1cz7A1 HIS 533 HD2 -0.04 0.00 -0.00 -0.04 6.97 6.89 1cz7A1 HIS 533 HE1 -0.04 -0.01 -0.05 -0.04 7.75 7.60 1cz7A1 THR 534 H -0.22 0.62 0.01 -0.55 8.28 8.14 1cz7A1 THR 534 HA -0.14 -0.06 0.35 -0.75 4.39 3.80 1cz7A1 THR 534 HB -0.26 0.15 0.15 -0.04 4.32 4.32 1cz7A1 THR 534 HG23 -0.10 0.00 -0.08 -0.04 1.22 1.01 1cz7A1 ALA 535 H -0.34 0.68 -0.15 -0.55 8.40 8.04 1cz7A1 ALA 535 HA -0.16 0.31 0.41 -0.75 4.34 4.14 1cz7A1 ALA 535 HB3 -0.34 -0.00 0.03 -0.04 1.41 1.06 1cz7A1 LYS 536 H -0.18 0.45 -0.35 -0.55 8.42 7.78 1cz7A1 LYS 536 HA -0.07 0.00 0.44 -0.75 4.32 3.93 1cz7A1 LYS 536 HB2 -0.12 0.13 0.18 -0.04 1.87 2.02 1cz7A1 LYS 536 HB3 -0.26 0.01 0.13 -0.04 1.79 1.64 1cz7A1 LYS 536 HG2 -0.08 -0.04 0.00 -0.04 1.46 1.30 1cz7A1 LYS 536 HG3 -0.09 -0.06 -0.02 -0.04 1.46 1.25 1cz7A1 LYS 536 HD2 -0.03 0.03 0.05 -0.04 1.69 1.70 1cz7A1 LYS 536 HD3 -0.02 0.02 -0.00 -0.04 1.68 1.63 1cz7A1 LYS 536 HE2 -0.02 -0.02 -0.00 -0.04 2.99 2.91 1cz7A1 LYS 536 HE3 -0.02 -0.04 0.02 -0.04 2.99 2.91 1cz7A1 MET 537 H -0.26 0.60 0.04 -0.55 8.47 8.31 1cz7A1 MET 537 HA -0.13 0.00 0.48 -0.75 4.52 4.12 1cz7A1 MET 537 HB2 -0.13 0.08 0.21 -0.04 2.15 2.27 1cz7A1 MET 537 HB3 -0.09 -0.05 0.02 -0.04 2.03 1.87 1cz7A1 MET 537 HG2 -0.54 0.15 0.06 -0.04 2.63 2.26 1cz7A1 MET 537 HG3 -0.17 -0.05 -0.05 -0.04 2.56 2.24 1cz7A1 MET 537 HE3 -0.12 -0.01 -0.05 -0.04 2.10 1.88 1cz7A1 ASN 538 H -0.10 0.72 0.07 -0.55 8.53 8.67 1cz7A1 ASN 538 HA -0.05 -0.03 0.30 -0.75 4.76 4.22 1cz7A1 ASN 538 HB2 -0.07 0.28 0.00 -0.04 2.88 3.05 1cz7A1 ASN 538 HB3 -0.04 -0.05 -0.08 -0.04 2.79 2.57 1cz7A1 ASN 538 HD21 -0.03 -0.06 -0.25 -0.04 7.03 6.65 1cz7A1 ASN 538 HD22 -0.03 -0.06 -0.60 -0.04 7.74 7.01 1cz7A1 ARG 539 H -0.07 0.16 -1.43 -0.55 8.46 6.56 1cz7A1 ARG 539 HA -0.04 0.02 0.45 -0.75 4.34 4.01 1cz7A1 ARG 539 HB2 -0.04 0.24 0.19 -0.04 1.90 2.25 1cz7A1 ARG 539 HB3 -0.05 0.12 0.17 -0.04 1.80 2.00 1cz7A1 ARG 539 HG2 -0.02 -0.15 0.08 -0.04 1.67 1.55 1cz7A1 ARG 539 HG3 -0.00 -0.01 0.06 -0.04 1.67 1.68 1cz7A1 ARG 539 HD2 0.02 0.04 -0.03 -0.04 3.22 3.21 1cz7A1 ARG 539 HD3 -0.00 -0.04 0.03 -0.04 3.22 3.17 1cz7A1 ALA 540 H -0.06 1.11 -0.09 -0.55 8.40 8.81 1cz7A1 ALA 540 HA -0.05 0.01 0.29 -0.75 4.34 3.84 1cz7A1 ALA 540 HB3 -0.06 -0.01 0.01 -0.04 1.41 1.30 1cz7A1 THR 541 H -0.05 0.17 -0.65 -0.55 8.28 7.20 1cz7A1 THR 541 HA -0.03 0.08 0.25 -0.75 4.39 3.93 1cz7A1 THR 541 HB -0.03 -0.09 0.19 -0.04 4.32 4.34 1cz7A1 THR 541 HG23 -0.01 -0.01 0.03 -0.04 1.22 1.18 1cz7A1 ALA 542 H -0.04 0.24 0.15 -0.55 8.40 8.21 1cz7A1 ALA 542 HA -0.02 0.04 0.62 -0.75 4.34 4.22 1cz7A1 ALA 542 HB3 -0.03 0.02 0.19 -0.04 1.41 1.55 1cz7A1 SER 543 H -0.01 0.60 -0.82 -0.55 8.46 7.68 1cz7A1 SER 543 HA 0.00 -0.04 0.47 -0.75 4.49 4.17 1cz7A1 SER 543 HB2 -0.00 0.07 0.03 -0.04 3.95 4.01 1cz7A1 SER 543 HB3 0.00 -0.03 0.10 -0.04 3.93 3.97 1cz7A1 THR 544 H -0.01 -0.06 -0.61 -0.55 8.28 7.06 1cz7A1 THR 544 HA -0.00 0.03 0.32 -0.75 4.39 3.99 1cz7A1 THR 544 HB -0.01 -0.03 0.12 -0.04 4.32 4.37 1cz7A1 THR 544 HG23 -0.01 0.02 0.05 -0.04 1.22 1.24 1cz7A1 ALA 545 H -0.01 0.04 0.05 -0.55 8.40 7.94 1cz7A1 ALA 545 HA -0.00 0.02 0.39 -0.75 4.34 4.00 1cz7A1 ALA 545 HB3 -0.01 0.00 0.08 -0.04 1.41 1.44 1cz7A1 GLY 546 H 0.00 0.07 0.14 -0.55 8.43 8.10 1cz7A1 GLY 546 HA2 0.01 -0.02 0.39 -0.51 4.01 3.87 1cz7A1 GLY 546 HA3 0.00 0.02 0.37 -0.51 4.01 3.90 1cz7A1 ASN 547 H 0.01 0.14 -0.13 -0.55 8.53 8.00 1cz7A1 ASN 547 HA 0.01 0.38 0.49 -0.75 4.76 4.89 1cz7A1 ASN 547 HB2 0.00 0.26 0.16 -0.04 2.88 3.27 1cz7A1 ASN 547 HB3 0.01 -0.03 0.08 -0.04 2.79 2.81 1cz7A1 ASN 547 HD21 0.00 -0.13 -0.00 -0.04 7.03 6.85 1cz7A1 ASN 547 HD22 0.01 0.08 -0.08 -0.04 7.74 7.71 1cz7A1 GLU 548 H 0.02 0.06 -0.70 -0.55 8.60 7.43 1cz7A1 GLU 548 HA 0.01 -0.00 0.20 -0.75 4.29 3.75 1cz7A1 GLU 548 HB2 0.02 -0.06 0.04 -0.04 2.09 2.05 1cz7A1 GLU 548 HB3 0.05 0.09 -0.04 -0.04 1.99 2.05 1cz7A1 GLU 548 HG2 0.03 -0.01 0.02 -0.04 2.34 2.34 1cz7A1 GLU 548 HG3 0.06 0.06 0.04 -0.04 2.34 2.45 1cz7A1 ARG 549 H 0.06 0.01 -1.58 -0.55 8.46 6.40 1cz7A1 ARG 549 HA 0.48 0.16 0.60 -0.75 4.34 4.82 1cz7A1 ARG 549 HB2 0.07 0.03 -0.01 -0.04 1.90 1.95 1cz7A1 ARG 549 HB3 0.05 -0.08 0.11 -0.04 1.80 1.84 1cz7A1 ARG 549 HG2 -0.01 -0.01 -0.04 -0.04 1.67 1.57 1cz7A1 ARG 549 HG3 0.17 0.02 -0.29 -0.04 1.67 1.53 1cz7A1 ARG 549 HD2 -0.52 0.00 -0.05 -0.04 3.22 2.61 1cz7A1 ARG 549 HD3 -0.23 0.01 -0.04 -0.04 3.22 2.92 1cz7A1 SER 550 H 0.04 0.13 0.10 -0.55 8.46 8.19 1cz7A1 SER 550 HA 0.04 0.11 0.38 -0.75 4.49 4.26 1cz7A1 SER 550 HB2 0.01 -0.02 0.11 -0.04 3.95 4.00 1cz7A1 SER 550 HB3 0.01 -0.05 0.10 -0.04 3.93 3.95 1cz7A1 SER 551 H 0.00 0.22 -0.13 -0.55 8.46 8.00 1cz7A1 SER 551 HA -0.02 0.04 0.49 -0.75 4.49 4.25 1cz7A1 SER 551 HB2 -0.02 -0.12 0.13 -0.04 3.95 3.90 1cz7A1 SER 551 HB3 -0.00 -0.02 0.06 -0.04 3.93 3.93 1cz7A1 ARG 552 H -0.04 0.46 -0.77 -0.55 8.46 7.56 1cz7A1 ARG 552 HA -0.14 0.07 1.02 -0.75 4.34 4.54 1cz7A1 ARG 552 HB2 -0.08 0.26 0.06 -0.04 1.90 2.10 1cz7A1 ARG 552 HB3 -0.25 -0.01 0.36 -0.04 1.80 1.86 1cz7A1 ARG 552 HG2 -0.07 -0.08 -0.11 -0.04 1.67 1.36 1cz7A1 ARG 552 HG3 -0.08 -0.04 0.11 -0.04 1.67 1.61 1cz7A1 ARG 552 HD2 -0.13 -0.08 0.15 -0.04 3.22 3.12 1cz7A1 ARG 552 HD3 -0.17 0.02 0.11 -0.04 3.22 3.15 1cz7A1 SER 553 H -0.11 0.41 0.00 -0.55 8.46 8.21 1cz7A1 SER 553 HA -0.33 0.15 0.99 -0.75 4.49 4.54 1cz7A1 SER 553 HB2 0.07 -0.01 0.01 -0.04 3.95 3.98 1cz7A1 SER 553 HB3 0.03 0.04 -0.10 -0.04 3.93 3.85 1cz7A1 HIS 554 H -0.23 0.36 0.33 -0.55 8.41 8.32 1cz7A1 HIS 554 HA 0.04 0.16 0.60 -0.75 4.63 4.67 1cz7A1 HIS 554 HB2 0.05 -0.07 0.08 -0.04 3.26 3.29 1cz7A1 HIS 554 HB3 0.06 0.00 -0.07 -0.04 3.20 3.15 1cz7A1 HIS 554 HD2 0.02 -0.07 0.02 -0.04 6.97 6.89 1cz7A1 HIS 554 HE1 -0.03 0.07 -0.01 -0.04 7.75 7.74 1cz7A1 ALA 555 H 0.14 0.27 0.03 -0.55 8.40 8.29 1cz7A1 ALA 555 HA 0.10 0.27 1.25 -0.75 4.34 5.21 1cz7A1 ALA 555 HB3 0.07 0.01 0.08 -0.04 1.41 1.53 1cz7A1 VAL 556 H 0.07 0.37 0.07 -0.55 8.24 8.20 1cz7A1 VAL 556 HA -0.00 0.17 0.80 -0.75 4.13 4.34 1cz7A1 VAL 556 HB 0.02 -0.04 -0.01 -0.04 2.12 2.05 1cz7A1 VAL 556 HG13 -0.04 0.01 -0.39 -0.04 0.97 0.50 1cz7A1 VAL 556 HG23 0.04 -0.01 -0.24 -0.04 0.95 0.69 1cz7A1 THR 557 H -0.07 0.53 0.17 -0.55 8.28 8.36 1cz7A1 THR 557 HA -0.26 0.15 1.00 -0.75 4.39 4.52 1cz7A1 THR 557 HB -0.11 0.10 0.25 -0.04 4.32 4.52 1cz7A1 THR 557 HG23 -0.40 -0.02 -0.21 -0.04 1.22 0.55 1cz7A1 LYS 558 H -0.29 0.56 0.32 -0.55 8.42 8.45 1cz7A1 LYS 558 HA -0.13 0.33 1.22 -0.75 4.32 4.99 1cz7A1 LYS 558 HB2 -0.09 0.01 -0.10 -0.04 1.87 1.64 1cz7A1 LYS 558 HB3 -0.10 -0.02 0.06 -0.04 1.79 1.69 1cz7A1 LYS 558 HG2 -0.07 -0.04 -0.31 -0.04 1.46 1.00 1cz7A1 LYS 558 HG3 -0.07 0.09 -0.21 -0.04 1.46 1.23 1cz7A1 LYS 558 HD2 -0.05 0.02 -0.14 -0.04 1.69 1.48 1cz7A1 LYS 558 HD3 -0.04 -0.06 -0.11 -0.04 1.68 1.42 1cz7A1 LYS 558 HE2 -0.03 -0.02 -0.13 -0.04 2.99 2.77 1cz7A1 LYS 558 HE3 -0.04 0.02 -0.16 -0.04 2.99 2.77 1cz7A1 LEU 559 H -0.10 0.61 0.31 -0.55 8.37 8.64 1cz7A1 LEU 559 HA -0.09 0.15 0.82 -0.75 4.35 4.47 1cz7A1 LEU 559 HB2 -0.08 -0.02 0.16 -0.04 1.64 1.65 1cz7A1 LEU 559 HB3 -0.08 -0.00 -0.07 -0.04 1.64 1.45 1cz7A1 LEU 559 HG -0.14 -0.02 -0.26 -0.04 1.64 1.17 1cz7A1 LEU 559 HD13 -0.06 -0.00 -0.11 -0.04 0.93 0.72 1cz7A1 LEU 559 HD23 -0.10 0.01 -0.15 -0.04 0.89 0.61 1cz7A1 GLU 560 H -0.04 0.46 0.21 -0.55 8.60 8.68 1cz7A1 GLU 560 HA -0.03 0.14 0.99 -0.75 4.29 4.64 1cz7A1 GLU 560 HB2 -0.02 -0.02 -0.02 -0.04 2.09 1.99 1cz7A1 GLU 560 HB3 -0.01 0.02 0.19 -0.04 1.99 2.14 1cz7A1 GLU 560 HG2 -0.00 -0.00 -0.27 -0.04 2.34 2.02 1cz7A1 GLU 560 HG3 -0.01 0.07 -0.12 -0.04 2.34 2.23 1cz7A1 LEU 561 H -0.02 0.91 0.44 -0.55 8.37 9.15 1cz7A1 LEU 561 HA 0.02 0.15 0.98 -0.75 4.35 4.75 1cz7A1 LEU 561 HB2 0.00 0.07 0.12 -0.04 1.64 1.79 1cz7A1 LEU 561 HB3 0.02 -0.03 -0.08 -0.04 1.64 1.51 1cz7A1 LEU 561 HG -0.07 0.06 -0.09 -0.04 1.64 1.50 1cz7A1 LEU 561 HD13 -0.18 -0.00 -0.24 -0.04 0.93 0.46 1cz7A1 LEU 561 HD23 -0.10 -0.04 -0.31 -0.04 0.89 0.39 1cz7A1 ILE 562 H 0.08 0.56 0.34 -0.55 8.25 8.67 1cz7A1 ILE 562 HA 0.01 0.35 1.17 -0.75 4.18 4.95 1cz7A1 ILE 562 HB 0.01 -0.05 0.20 -0.04 1.89 2.01 1cz7A1 ILE 562 HG12 0.01 0.02 -0.16 -0.04 1.49 1.32 1cz7A1 ILE 562 HG13 0.01 -0.08 -0.51 -0.04 1.21 0.59 1cz7A1 ILE 562 HG23 -0.00 -0.01 -0.12 -0.04 0.93 0.76 1cz7A1 ILE 562 HD13 0.01 -0.02 -0.11 -0.04 0.88 0.73 1cz7A1 GLY 563 H -0.09 0.95 0.44 -0.55 8.43 9.19 1cz7A1 GLY 563 HA2 -0.67 0.24 1.04 -0.51 4.01 4.11 1cz7A1 GLY 563 HA3 -0.89 0.04 0.30 -0.51 4.01 2.95 1cz7A1 ARG 564 H -0.03 0.45 0.26 -0.55 8.46 8.59 1cz7A1 ARG 564 HA 0.10 0.19 1.01 -0.75 4.34 4.88 1cz7A1 ARG 564 HB2 -0.01 0.06 0.11 -0.04 1.90 2.01 1cz7A1 ARG 564 HB3 -0.03 -0.04 -0.11 -0.04 1.80 1.57 1cz7A1 ARG 564 HG2 0.01 0.02 -0.08 -0.04 1.67 1.58 1cz7A1 ARG 564 HG3 0.00 0.00 -0.37 -0.04 1.67 1.26 1cz7A1 ARG 564 HD2 -0.02 -0.03 -0.08 -0.04 3.22 3.05 1cz7A1 ARG 564 HD3 -0.01 -0.03 -0.09 -0.04 3.22 3.04 1cz7A1 HIS 565 H -0.24 0.59 0.14 -0.55 8.41 8.36 1cz7A1 HIS 565 HA -0.51 0.27 1.00 -0.75 4.63 4.64 1cz7A1 HIS 565 HB2 -2.42 -0.09 -0.07 -0.04 3.26 0.64 1cz7A1 HIS 565 HB3 -0.78 0.24 0.17 -0.04 3.20 2.79 1cz7A1 HIS 565 HD2 -0.37 0.26 0.05 -0.04 6.97 6.87 1cz7A1 HIS 565 HE1 -0.45 -0.08 0.04 -0.04 7.75 7.22 1cz7A1 ALA 566 H -0.14 0.22 0.11 -0.55 8.40 8.04 1cz7A1 ALA 566 HA -0.19 -0.00 0.63 -0.75 4.34 4.02 1cz7A1 ALA 566 HB3 -0.11 -0.00 0.10 -0.04 1.41 1.36 1cz7A1 GLU 567 H -0.18 0.08 0.17 -0.55 8.60 8.13 1cz7A1 GLU 567 HA -0.19 -0.02 0.35 -0.75 4.29 3.67 1cz7A1 GLU 567 HB2 -0.16 -0.08 -0.05 -0.04 2.09 1.77 1cz7A1 GLU 567 HB3 -0.30 0.29 -0.01 -0.04 1.99 1.93 1cz7A1 GLU 567 HG2 -0.19 0.02 0.16 -0.04 2.34 2.29 1cz7A1 GLU 567 HG3 -0.12 -0.06 0.07 -0.04 2.34 2.19 1cz7A1 LYS 568 H -0.27 -0.14 -0.12 -0.55 8.42 7.33 1cz7A1 LYS 568 HA -0.30 -0.03 0.33 -0.75 4.32 3.56 1cz7A1 LYS 568 HB2 -0.97 0.31 -0.17 -0.04 1.87 1.00 1cz7A1 LYS 568 HB3 -0.77 0.19 -0.26 -0.04 1.79 0.92 1cz7A1 LYS 568 HG2 -0.45 0.02 -0.03 -0.04 1.46 0.95 1cz7A1 LYS 568 HG3 -0.31 -0.06 -0.01 -0.04 1.46 1.03 1cz7A1 LYS 568 HD2 -0.35 -0.11 0.09 -0.04 1.69 1.28 1cz7A1 LYS 568 HD3 -0.49 0.10 0.13 -0.04 1.68 1.38 1cz7A1 LYS 568 HE2 -1.66 0.04 0.04 -0.04 2.99 1.36 1cz7A1 LYS 568 HE3 -1.01 -0.01 0.01 -0.04 2.99 1.94 1cz7A1 GLN 569 H -0.27 -0.00 0.11 -0.55 8.47 7.76 1cz7A1 GLN 569 HA -0.12 -0.04 0.38 -0.75 4.36 3.83 1cz7A1 GLN 569 HB2 -0.07 0.32 0.26 -0.04 2.15 2.62 1cz7A1 GLN 569 HB3 -0.05 -0.21 0.27 -0.04 2.02 1.99 1cz7A1 GLN 569 HG2 -0.11 -0.06 -0.30 -0.04 2.40 1.90 1cz7A1 GLN 569 HG3 -0.07 0.01 -0.01 -0.04 2.39 2.29 1cz7A1 GLN 569 HE21 -0.06 -0.01 0.03 -0.04 6.97 6.89 1cz7A1 GLN 569 HE22 -0.05 0.02 0.03 -0.04 7.69 7.64 1cz7A1 GLU 570 H -0.02 -0.01 0.15 -0.55 8.60 8.18 1cz7A1 GLU 570 HA 0.05 -0.09 0.47 -0.75 4.29 3.97 1cz7A1 GLU 570 HB2 0.17 0.06 0.09 -0.04 2.09 2.37 1cz7A1 GLU 570 HB3 0.08 -0.06 0.06 -0.04 1.99 2.02 1cz7A1 GLU 570 HG2 0.03 0.06 -0.76 -0.04 2.34 1.64 1cz7A1 GLU 570 HG3 0.24 0.04 -0.06 -0.04 2.34 2.52 1cz7A1 ILE 571 H 0.11 0.13 0.21 -0.55 8.25 8.15 1cz7A1 ILE 571 HA 0.32 0.23 1.08 -0.75 4.18 5.06 1cz7A1 ILE 571 HB 0.07 0.14 0.11 -0.04 1.89 2.17 1cz7A1 ILE 571 HG12 0.04 -0.12 0.05 -0.04 1.49 1.42 1cz7A1 ILE 571 HG13 0.05 0.04 -0.20 -0.04 1.21 1.05 1cz7A1 ILE 571 HG23 0.04 -0.06 -0.15 -0.04 0.93 0.72 1cz7A1 ILE 571 HD13 0.01 -0.00 -0.09 -0.04 0.88 0.76 1cz7A1 SER 572 H 0.13 0.78 0.37 -0.55 8.46 9.19 1cz7A1 SER 572 HA -0.03 0.14 0.84 -0.75 4.49 4.69 1cz7A1 SER 572 HB2 -0.40 -0.03 -0.09 -0.04 3.95 3.39 1cz7A1 SER 572 HB3 -0.20 -0.10 0.10 -0.04 3.93 3.68 1cz7A1 VAL 573 H -0.05 0.27 0.14 -0.55 8.24 8.06 1cz7A1 VAL 573 HA -0.01 0.35 1.20 -0.75 4.13 4.92 1cz7A1 VAL 573 HB -0.03 0.01 0.14 -0.04 2.12 2.20 1cz7A1 VAL 573 HG13 -0.01 -0.02 -0.14 -0.04 0.97 0.75 1cz7A1 VAL 573 HG23 -0.00 -0.03 -0.28 -0.04 0.95 0.60 1cz7A1 GLY 574 H -0.01 0.63 0.32 -0.55 8.43 8.82 1cz7A1 GLY 574 HA2 -0.03 0.14 0.63 -0.51 4.01 4.25 1cz7A1 GLY 574 HA3 -0.02 0.19 0.30 -0.51 4.01 3.97 1cz7A1 SER 575 H -0.02 0.25 0.14 -0.55 8.46 8.29 1cz7A1 SER 575 HA -0.04 0.18 1.27 -0.75 4.49 5.15 1cz7A1 SER 575 HB2 -0.04 0.01 -0.06 -0.04 3.95 3.82 1cz7A1 SER 575 HB3 -0.03 -0.02 -0.14 -0.04 3.93 3.70 1cz7A1 ILE 576 H -0.06 0.71 0.40 -0.55 8.25 8.76 1cz7A1 ILE 576 HA -0.05 0.17 0.99 -0.75 4.18 4.54 1cz7A1 ILE 576 HB -0.06 -0.09 0.15 -0.04 1.89 1.84 1cz7A1 ILE 576 HG12 -0.04 0.09 -0.13 -0.04 1.49 1.36 1cz7A1 ILE 576 HG13 -0.06 0.05 -0.05 -0.04 1.21 1.11 1cz7A1 ILE 576 HG23 -0.04 -0.01 -0.10 -0.04 0.93 0.74 1cz7A1 ILE 576 HD13 -0.04 -0.01 -0.06 -0.04 0.88 0.73 1cz7A1 ASN 577 H -0.09 0.31 0.01 -0.55 8.53 8.21 1cz7A1 ASN 577 HA -0.11 0.21 1.02 -0.75 4.76 5.13 1cz7A1 ASN 577 HB2 -0.16 0.11 0.31 -0.04 2.88 3.10 1cz7A1 ASN 577 HB3 -0.14 -0.07 -0.01 -0.04 2.79 2.53 1cz7A1 ASN 577 HD21 -0.05 -0.03 -0.14 -0.04 7.03 6.77 1cz7A1 ASN 577 HD22 -0.06 0.21 0.03 -0.04 7.74 7.87 1cz7A1 LEU 578 H -0.11 0.60 0.19 -0.55 8.37 8.50 1cz7A1 LEU 578 HA -0.10 0.15 0.74 -0.75 4.35 4.38 1cz7A1 LEU 578 HB2 -0.07 -0.00 0.27 -0.04 1.64 1.79 1cz7A1 LEU 578 HB3 -0.04 -0.03 0.06 -0.04 1.64 1.59 1cz7A1 LEU 578 HG -0.07 -0.06 -0.13 -0.04 1.64 1.34 1cz7A1 LEU 578 HD13 -0.05 -0.01 -0.08 -0.04 0.93 0.75 1cz7A1 LEU 578 HD23 -0.02 0.01 -0.10 -0.04 0.89 0.74 1cz7A1 VAL 579 H -0.19 0.52 0.30 -0.55 8.24 8.31 1cz7A1 VAL 579 HA -0.00 0.22 0.69 -0.75 4.13 4.28 1cz7A1 VAL 579 HB -0.05 0.00 0.22 -0.04 2.12 2.25 1cz7A1 VAL 579 HG13 0.18 -0.04 -0.21 -0.04 0.97 0.87 1cz7A1 VAL 579 HG23 -0.24 0.05 -0.13 -0.04 0.95 0.59 1cz7A1 ASP 580 H 0.06 0.69 0.30 -0.55 8.40 8.90 1cz7A1 ASP 580 HA 0.07 -0.01 0.71 -0.75 4.63 4.66 1cz7A1 ASP 580 HB2 0.03 -0.03 0.09 -0.04 2.71 2.76 1cz7A1 ASP 580 HB3 0.05 0.05 0.32 -0.04 2.70 3.08 1cz7A1 LEU 581 H 0.17 0.32 0.06 -0.55 8.37 8.37 1cz7A1 LEU 581 HA 0.29 -0.13 0.31 -0.75 4.35 4.07 1cz7A1 LEU 581 HB2 0.15 0.44 0.31 -0.04 1.64 2.50 1cz7A1 LEU 581 HB3 0.10 0.07 0.07 -0.04 1.64 1.85 1cz7A1 LEU 581 HG 0.30 -0.04 0.02 -0.04 1.64 1.88 1cz7A1 LEU 581 HD13 0.22 0.03 -0.05 -0.04 0.93 1.08 1cz7A1 LEU 581 HD23 -0.02 -0.03 -0.01 -0.04 0.89 0.79 1cz7A1 ALA 582 H 0.34 -0.02 0.04 -0.55 8.40 8.22 1cz7A1 ALA 582 HA -0.05 0.20 0.40 -0.75 4.34 4.13 1cz7A1 ALA 582 HB3 -0.24 -0.02 -0.16 -0.04 1.41 0.95 1cz7A1 GLY 583 H -0.08 0.57 0.28 -0.55 8.43 8.65 1cz7A1 GLY 583 HA2 -0.11 0.15 0.54 -0.51 4.01 4.09 1cz7A1 GLY 583 HA3 -0.07 -0.10 0.44 -0.51 4.01 3.76 1cz7A1 SER 584 H -0.20 0.51 0.25 -0.55 8.46 8.47 1cz7A1 SER 584 HA -0.17 0.20 0.52 -0.75 4.49 4.29 1cz7A1 SER 584 HB2 -0.15 0.04 0.07 -0.04 3.95 3.87 1cz7A1 SER 584 HB3 -0.75 0.03 0.03 -0.04 3.93 3.20 1cz7A1 GLU 585 H -0.06 -0.12 -0.29 -0.55 8.60 7.58 1cz7A1 GLU 585 HA -0.01 0.05 0.36 -0.75 4.29 3.93 1cz7A1 GLU 585 HB2 -0.00 0.03 0.22 -0.04 2.09 2.29 1cz7A1 GLU 585 HB3 -0.00 -0.09 0.16 -0.04 1.99 2.02 1cz7A1 GLU 585 HG2 -0.04 0.13 -0.14 -0.04 2.34 2.25 1cz7A1 GLU 585 HG3 -0.01 0.10 -0.01 -0.04 2.34 2.37 1cz7A1 SER 586 H 0.00 0.10 0.17 -0.55 8.46 8.19 1cz7A1 SER 586 HA -0.01 0.24 0.84 -0.75 4.49 4.81 1cz7A1 SER 586 HB2 0.01 -0.06 0.04 -0.04 3.95 3.89 1cz7A1 SER 586 HB3 0.01 0.01 0.12 -0.04 3.93 4.02 1cz7A1 PRO 587 HA 0.00 0.11 0.26 -0.51 4.44 4.30 1cz7A1 PRO 587 HB2 0.01 0.04 0.09 -0.04 2.28 2.37 1cz7A1 PRO 587 HB3 0.00 0.04 0.10 -0.04 2.02 2.12 1cz7A1 PRO 587 HG2 0.01 0.03 0.07 -0.04 2.03 2.10 1cz7A1 PRO 587 HG3 0.00 0.06 0.09 -0.04 2.03 2.14 1cz7A1 PRO 587 HD2 0.00 0.11 0.22 -0.04 3.68 3.97 1cz7A1 PRO 587 HD3 -0.00 0.14 0.17 -0.04 3.65 3.92 1cz7A1 ILE 599 HA -0.12 0.18 0.27 -0.75 4.18 3.76 1cz7A1 ILE 599 HB -0.03 0.08 0.13 -0.04 1.89 2.03 1cz7A1 ILE 599 HG12 -0.02 0.04 0.10 -0.04 1.49 1.57 1cz7A1 ILE 599 HG13 -0.04 -0.17 0.22 -0.04 1.21 1.17 1cz7A1 ILE 599 HG23 -0.00 -0.04 0.05 -0.04 0.93 0.90 1cz7A1 ILE 599 HD13 -0.07 0.05 0.09 -0.04 0.88 0.91 1cz7A1 ASN 600 H -0.03 0.21 0.17 -0.55 8.53 8.34 1cz7A1 ASN 600 HA -0.00 0.10 0.54 -0.75 4.76 4.64 1cz7A1 ASN 600 HB2 -0.02 0.02 0.17 -0.04 2.88 3.00 1cz7A1 ASN 600 HB3 -0.01 0.00 0.03 -0.04 2.79 2.78 1cz7A1 ASN 600 HD21 -0.03 0.22 -0.02 -0.04 7.03 7.16 1cz7A1 ASN 600 HD22 -0.03 -0.06 0.06 -0.04 7.74 7.67 1cz7A1 ARG 601 H 0.00 0.06 -0.58 -0.55 8.46 7.40 1cz7A1 ARG 601 HA 0.01 0.09 0.32 -0.75 4.34 4.00 1cz7A1 ARG 601 HB2 0.01 0.02 0.07 -0.04 1.90 1.96 1cz7A1 ARG 601 HB3 0.03 -0.02 0.01 -0.04 1.80 1.78 1cz7A1 ARG 601 HG2 0.02 -0.01 0.01 -0.04 1.67 1.66 1cz7A1 ARG 601 HG3 0.02 0.03 -0.05 -0.04 1.67 1.62 1cz7A1 ARG 601 HD2 0.01 -0.04 0.06 -0.04 3.22 3.21 1cz7A1 ARG 601 HD3 0.01 -0.00 0.04 -0.04 3.22 3.22 1cz7A1 SER 602 H 0.07 0.39 -0.26 -0.55 8.46 8.11 1cz7A1 SER 602 HA 0.03 0.03 0.48 -0.75 4.49 4.28 1cz7A1 SER 602 HB2 0.28 0.23 0.15 -0.04 3.95 4.57 1cz7A1 SER 602 HB3 0.01 0.02 -0.02 -0.04 3.93 3.90 1cz7A1 LEU 603 H 0.14 0.28 -0.01 -0.55 8.37 8.23 1cz7A1 LEU 603 HA 0.01 -0.01 0.20 -0.75 4.35 3.79 1cz7A1 LEU 603 HB2 0.08 0.03 0.10 -0.04 1.64 1.82 1cz7A1 LEU 603 HB3 0.01 0.03 0.07 -0.04 1.64 1.71 1cz7A1 LEU 603 HG -0.02 0.03 -0.10 -0.04 1.64 1.52 1cz7A1 LEU 603 HD13 0.03 -0.03 0.02 -0.04 0.93 0.92 1cz7A1 LEU 603 HD23 -0.08 -0.00 -0.16 -0.04 0.89 0.60 1cz7A1 SER 604 H 0.00 0.74 -0.24 -0.55 8.46 8.41 1cz7A1 SER 604 HA -0.03 0.04 0.52 -0.75 4.49 4.26 1cz7A1 SER 604 HB2 -0.01 -0.04 0.09 -0.04 3.95 3.94 1cz7A1 SER 604 HB3 -0.00 0.13 0.12 -0.04 3.93 4.14 1cz7A1 GLU 605 H -0.01 0.39 -0.06 -0.55 8.60 8.37 1cz7A1 GLU 605 HA -0.02 -0.03 0.38 -0.75 4.29 3.87 1cz7A1 GLU 605 HB2 0.01 0.20 0.35 -0.04 2.09 2.60 1cz7A1 GLU 605 HB3 0.00 -0.13 -0.10 -0.04 1.99 1.72 1cz7A1 GLU 605 HG2 0.00 0.10 0.13 -0.04 2.34 2.52 1cz7A1 GLU 605 HG3 0.01 -0.01 -0.21 -0.04 2.34 2.09 1cz7A1 LEU 606 H -0.04 0.72 -0.25 -0.55 8.37 8.26 1cz7A1 LEU 606 HA -0.04 -0.02 0.28 -0.75 4.35 3.82 1cz7A1 LEU 606 HB2 -0.09 -0.14 -0.15 -0.04 1.64 1.22 1cz7A1 LEU 606 HB3 -0.11 0.18 -0.05 -0.04 1.64 1.61 1cz7A1 LEU 606 HG -0.20 -0.08 -0.13 -0.04 1.64 1.20 1cz7A1 LEU 606 HD13 -0.34 0.02 -0.35 -0.04 0.93 0.23 1cz7A1 LEU 606 HD23 -0.14 -0.01 -0.09 -0.04 0.89 0.61 1cz7A1 THR 607 H -0.11 0.41 -0.32 -0.55 8.28 7.71 1cz7A1 THR 607 HA -0.13 0.00 0.37 -0.75 4.39 3.87 1cz7A1 THR 607 HB -0.12 0.29 0.29 -0.04 4.32 4.74 1cz7A1 THR 607 HG23 0.07 -0.03 -0.19 -0.04 1.22 1.04 1cz7A1 ASN 608 H -0.03 0.46 -0.05 -0.55 8.53 8.36 1cz7A1 ASN 608 HA 0.01 0.00 0.40 -0.75 4.76 4.42 1cz7A1 ASN 608 HB2 -0.03 0.10 0.17 -0.04 2.88 3.08 1cz7A1 ASN 608 HB3 -0.02 -0.03 0.03 -0.04 2.79 2.73 1cz7A1 ASN 608 HD21 0.00 -0.04 -0.02 -0.04 7.03 6.93 1cz7A1 ASN 608 HD22 0.01 0.00 0.01 -0.04 7.74 7.72 1cz7A1 VAL 609 H -0.04 0.57 -0.13 -0.55 8.24 8.09 1cz7A1 VAL 609 HA -0.12 -0.05 0.24 -0.75 4.13 3.45 1cz7A1 VAL 609 HB -0.02 0.13 0.08 -0.04 2.12 2.28 1cz7A1 VAL 609 HG13 -0.04 -0.00 -0.25 -0.04 0.97 0.64 1cz7A1 VAL 609 HG23 -0.10 -0.03 -0.17 -0.04 0.95 0.61 1cz7A1 ILE 610 H -0.01 0.48 -0.20 -0.55 8.25 7.97 1cz7A1 ILE 610 HA 0.01 0.04 0.37 -0.75 4.18 3.84 1cz7A1 ILE 610 HB 0.13 0.06 0.15 -0.04 1.89 2.19 1cz7A1 ILE 610 HG12 -0.04 0.02 0.08 -0.04 1.49 1.51 1cz7A1 ILE 610 HG13 -0.04 -0.07 -0.05 -0.04 1.21 1.02 1cz7A1 ILE 610 HG23 0.01 -0.01 -0.12 -0.04 0.93 0.77 1cz7A1 ILE 610 HD13 -0.16 -0.02 -0.05 -0.04 0.88 0.60 1cz7A1 LEU 611 H 0.05 0.55 0.02 -0.55 8.37 8.45 1cz7A1 LEU 611 HA -0.04 0.02 0.47 -0.75 4.35 4.05 1cz7A1 LEU 611 HB2 0.01 0.04 0.14 -0.04 1.64 1.79 1cz7A1 LEU 611 HB3 -0.02 -0.03 0.04 -0.04 1.64 1.59 1cz7A1 LEU 611 HG 0.15 0.11 0.07 -0.04 1.64 1.93 1cz7A1 LEU 611 HD13 0.07 -0.03 -0.05 -0.04 0.93 0.87 1cz7A1 LEU 611 HD23 -0.15 0.02 -0.06 -0.04 0.89 0.66 1cz7A1 ALA 612 H -0.03 0.78 -0.12 -0.55 8.40 8.48 1cz7A1 ALA 612 HA -0.03 -0.06 0.27 -0.75 4.34 3.76 1cz7A1 ALA 612 HB3 -0.07 0.00 0.00 -0.04 1.41 1.31 1cz7A1 LEU 613 H -0.03 0.44 -0.47 -0.55 8.37 7.76 1cz7A1 LEU 613 HA -0.02 0.06 0.58 -0.75 4.35 4.22 1cz7A1 LEU 613 HB2 -0.00 0.10 0.21 -0.04 1.64 1.91 1cz7A1 LEU 613 HB3 0.01 0.03 0.03 -0.04 1.64 1.67 1cz7A1 LEU 613 HG -0.02 0.10 0.02 -0.04 1.64 1.70 1cz7A1 LEU 613 HD13 0.10 -0.00 0.06 -0.04 0.93 1.04 1cz7A1 LEU 613 HD23 0.05 -0.03 -0.06 -0.04 0.89 0.81 1cz7A1 LEU 614 H -0.03 0.40 0.11 -0.55 8.37 8.30 1cz7A1 LEU 614 HA -0.03 0.04 0.36 -0.75 4.35 3.97 1cz7A1 LEU 614 HB2 -0.05 0.11 0.16 -0.04 1.64 1.82 1cz7A1 LEU 614 HB3 -0.05 -0.07 -0.03 -0.04 1.64 1.45 1cz7A1 LEU 614 HG -0.04 0.13 0.14 -0.04 1.64 1.83 1cz7A1 LEU 614 HD13 -0.10 -0.04 -0.03 -0.04 0.93 0.72 1cz7A1 LEU 614 HD23 -0.05 -0.00 0.05 -0.04 0.89 0.84 1cz7A1 GLN 615 H -0.03 0.24 -0.85 -0.55 8.47 7.28 1cz7A1 GLN 615 HA -0.03 0.19 0.69 -0.75 4.36 4.46 1cz7A1 GLN 615 HB2 -0.03 -0.03 0.01 -0.04 2.15 2.06 1cz7A1 GLN 615 HB3 -0.02 -0.08 0.14 -0.04 2.02 2.02 1cz7A1 GLN 615 HG2 -0.03 0.02 -0.08 -0.04 2.40 2.26 1cz7A1 GLN 615 HG3 -0.03 0.41 -0.05 -0.04 2.39 2.68 1cz7A1 GLN 615 HE21 -0.02 -0.09 -0.05 -0.04 6.97 6.78 1cz7A1 GLN 615 HE22 -0.02 0.03 -0.07 -0.04 7.69 7.58 1cz7A1 LYS 616 H -0.02 1.00 -0.15 -0.55 8.42 8.69 1cz7A1 LYS 616 HA -0.02 0.05 0.36 -0.75 4.32 3.96 1cz7A1 LYS 616 HB2 -0.02 0.04 -0.24 -0.04 1.87 1.61 1cz7A1 LYS 616 HB3 -0.02 -0.11 0.14 -0.04 1.79 1.76 1cz7A1 LYS 616 HG2 -0.02 0.11 -0.19 -0.04 1.46 1.32 1cz7A1 LYS 616 HG3 -0.01 -0.10 -0.06 -0.04 1.46 1.25 1cz7A1 LYS 616 HD2 -0.01 -0.11 0.03 -0.04 1.69 1.57 1cz7A1 LYS 616 HD3 -0.01 0.19 0.07 -0.04 1.68 1.89 1cz7A1 LYS 616 HE2 -0.01 0.10 -0.00 -0.04 2.99 3.04 1cz7A1 LYS 616 HE3 -0.01 -0.09 -0.00 -0.04 2.99 2.85 1cz7A1 GLN 617 H -0.03 0.12 -0.83 -0.55 8.47 7.19 1cz7A1 GLN 617 HA -0.03 -0.09 0.37 -0.75 4.36 3.86 1cz7A1 GLN 617 HB2 -0.03 0.02 0.10 -0.04 2.15 2.20 1cz7A1 GLN 617 HB3 -0.04 0.08 -0.06 -0.04 2.02 1.95 1cz7A1 GLN 617 HG2 -0.02 -0.08 -0.12 -0.04 2.40 2.15 1cz7A1 GLN 617 HG3 -0.02 -0.11 0.09 -0.04 2.39 2.31 1cz7A1 GLN 617 HE21 -0.02 -0.11 0.02 -0.04 6.97 6.82 1cz7A1 GLN 617 HE22 -0.01 0.37 0.11 -0.04 7.69 8.12 1cz7A1 ASP 618 H -0.05 0.03 0.17 -0.55 8.40 8.00 1cz7A1 ASP 618 HA -0.12 0.15 0.46 -0.75 4.63 4.37 1cz7A1 ASP 618 HB2 -0.08 -0.07 0.18 -0.04 2.71 2.69 1cz7A1 ASP 618 HB3 -0.28 -0.04 -0.03 -0.04 2.70 2.32 1cz7A1 HIS 619 H -0.01 0.07 -0.08 -0.55 8.41 7.85 1cz7A1 HIS 619 HA -0.02 0.22 0.97 -0.75 4.63 5.04 1cz7A1 HIS 619 HB2 -0.02 -0.06 0.04 -0.04 3.26 3.18 1cz7A1 HIS 619 HB3 -0.03 -0.01 -0.17 -0.04 3.20 2.95 1cz7A1 HIS 619 HD2 -0.01 -0.04 -0.07 -0.04 6.97 6.81 1cz7A1 HIS 619 HE1 0.01 -0.02 -0.01 -0.04 7.75 7.69 1cz7A1 ILE 620 H 0.03 0.20 0.07 -0.55 8.25 8.00 1cz7A1 ILE 620 HA -0.15 0.22 0.69 -0.75 4.18 4.18 1cz7A1 ILE 620 HB -0.67 -0.10 0.05 -0.04 1.89 1.13 1cz7A1 ILE 620 HG12 -0.07 -0.00 -0.13 -0.04 1.49 1.25 1cz7A1 ILE 620 HG13 -0.16 0.08 -0.14 -0.04 1.21 0.95 1cz7A1 ILE 620 HG23 -0.61 0.01 -0.13 -0.04 0.93 0.16 1cz7A1 ILE 620 HD13 -0.08 0.03 -0.58 -0.04 0.88 0.21 1cz7A1 PRO 621 HA -0.06 0.10 0.52 -0.51 4.44 4.49 1cz7A1 PRO 621 HB2 -0.04 -0.05 0.15 -0.04 2.28 2.29 1cz7A1 PRO 621 HB3 -0.04 0.06 0.02 -0.04 2.02 2.02 1cz7A1 PRO 621 HG2 -0.08 0.01 -0.00 -0.04 2.03 1.92 1cz7A1 PRO 621 HG3 -0.05 0.05 0.02 -0.04 2.03 2.01 1cz7A1 PRO 621 HD2 -0.14 0.15 0.09 -0.04 3.68 3.73 1cz7A1 PRO 621 HD3 -0.07 0.26 0.08 -0.04 3.65 3.88 1cz7A1 TYR 622 H -0.07 0.53 -0.27 -0.55 8.29 7.93 1cz7A1 TYR 622 HA 0.01 0.06 0.21 -0.75 4.56 4.08 1cz7A1 TYR 622 HB2 -0.02 -0.00 0.04 -0.04 3.06 3.03 1cz7A1 TYR 622 HB3 0.01 0.06 -0.15 -0.04 2.98 2.86 1cz7A1 TYR 622 HD2 0.03 -0.02 -0.02 -0.04 7.15 7.10 1cz7A1 TYR 622 HE2 0.04 0.01 -0.07 -0.04 6.85 6.79 1cz7A1 ARG 623 H 0.01 0.14 -0.26 -0.55 8.46 7.79 1cz7A1 ARG 623 HA -0.13 0.14 0.56 -0.75 4.34 4.14 1cz7A1 ARG 623 HB2 -0.11 0.02 0.01 -0.04 1.90 1.78 1cz7A1 ARG 623 HB3 -0.17 0.01 0.12 -0.04 1.80 1.72 1cz7A1 ARG 623 HG2 -1.16 0.02 -0.09 -0.04 1.67 0.40 1cz7A1 ARG 623 HG3 -0.25 -0.00 -0.08 -0.04 1.67 1.30 1cz7A1 ARG 623 HD2 -0.21 -0.02 -0.01 -0.04 3.22 2.94 1cz7A1 ARG 623 HD3 -0.38 0.04 -0.04 -0.04 3.22 2.79 1cz7A1 ASN 624 H 0.01 0.44 -0.67 -0.55 8.53 7.77 1cz7A1 ASN 624 HA -0.00 0.14 0.58 -0.75 4.76 4.73 1cz7A1 ASN 624 HB2 -0.01 0.31 0.09 -0.04 2.88 3.23 1cz7A1 ASN 624 HB3 -0.00 -0.04 0.04 -0.04 2.79 2.75 1cz7A1 ASN 624 HD21 -0.03 0.00 -0.07 -0.04 7.03 6.90 1cz7A1 ASN 624 HD22 -0.03 -0.10 -0.18 -0.04 7.74 7.39 1cz7A1 SER 625 H 0.05 0.32 -0.23 -0.55 8.46 8.05 1cz7A1 SER 625 HA 0.04 0.16 0.59 -0.75 4.49 4.53 1cz7A1 SER 625 HB2 0.04 -0.07 -0.04 -0.04 3.95 3.84 1cz7A1 SER 625 HB3 0.03 0.21 -0.35 -0.04 3.93 3.78 1cz7A1 LYS 626 H 0.06 0.21 0.08 -0.55 8.42 8.21 1cz7A1 LYS 626 HA 0.09 0.13 0.33 -0.75 4.32 4.12 1cz7A1 LYS 626 HB2 0.05 -0.06 0.11 -0.04 1.87 1.93 1cz7A1 LYS 626 HB3 0.04 0.02 -0.14 -0.04 1.79 1.67 1cz7A1 LYS 626 HG2 0.01 -0.05 -0.23 -0.04 1.46 1.14 1cz7A1 LYS 626 HG3 0.01 0.01 -0.03 -0.04 1.46 1.42 1cz7A1 LYS 626 HD2 0.05 -0.05 -0.01 -0.04 1.69 1.64 1cz7A1 LYS 626 HD3 0.03 0.05 0.06 -0.04 1.68 1.78 1cz7A1 LYS 626 HE2 0.02 -0.06 0.01 -0.04 2.99 2.92 1cz7A1 LYS 626 HE3 0.03 0.05 0.03 -0.04 2.99 3.05 1cz7A1 LEU 627 H 0.05 0.04 -0.33 -0.55 8.37 7.59 1cz7A1 LEU 627 HA 0.04 0.12 0.34 -0.75 4.35 4.09 1cz7A1 LEU 627 HB2 -0.03 -0.05 -0.02 -0.04 1.64 1.50 1cz7A1 LEU 627 HB3 -0.05 -0.00 -0.06 -0.04 1.64 1.49 1cz7A1 LEU 627 HG 0.04 0.09 -0.22 -0.04 1.64 1.50 1cz7A1 LEU 627 HD13 0.02 0.00 -0.10 -0.04 0.93 0.81 1cz7A1 LEU 627 HD23 -0.37 0.00 -0.12 -0.04 0.89 0.35 1cz7A1 THR 628 H 0.08 0.13 -0.22 -0.55 8.28 7.73 1cz7A1 THR 628 HA 0.15 0.12 0.47 -0.75 4.39 4.37 1cz7A1 THR 628 HB 0.24 0.00 0.02 -0.04 4.32 4.54 1cz7A1 THR 628 HG23 0.05 0.00 -0.20 -0.04 1.22 1.04 1cz7A1 HIS 629 H 0.18 0.35 -0.17 -0.55 8.41 8.23 1cz7A1 HIS 629 HA 0.05 0.05 0.27 -0.75 4.63 4.25 1cz7A1 HIS 629 HB2 0.04 0.03 0.02 -0.04 3.26 3.31 1cz7A1 HIS 629 HB3 0.02 -0.02 0.05 -0.04 3.20 3.20 1cz7A1 HIS 629 HD2 -0.01 0.01 -0.05 -0.04 6.97 6.88 1cz7A1 HIS 629 HE1 0.01 0.06 -0.04 -0.04 7.75 7.73 1cz7A1 LEU 630 H 0.08 0.44 -0.15 -0.55 8.37 8.19 1cz7A1 LEU 630 HA -0.09 0.01 0.24 -0.75 4.35 3.75 1cz7A1 LEU 630 HB2 -0.03 -0.02 0.03 -0.04 1.64 1.58 1cz7A1 LEU 630 HB3 0.02 0.06 0.00 -0.04 1.64 1.68 1cz7A1 LEU 630 HG -0.02 0.06 -0.35 -0.04 1.64 1.28 1cz7A1 LEU 630 HD13 -0.07 -0.02 -0.12 -0.04 0.93 0.69 1cz7A1 LEU 630 HD23 -0.01 -0.02 -0.18 -0.04 0.89 0.63 1cz7A1 LEU 631 H 0.06 0.27 -0.52 -0.55 8.37 7.64 1cz7A1 LEU 631 HA -0.01 0.15 0.65 -0.75 4.35 4.38 1cz7A1 LEU 631 HB2 0.12 0.07 -0.05 -0.04 1.64 1.74 1cz7A1 LEU 631 HB3 0.08 -0.00 -0.03 -0.04 1.64 1.65 1cz7A1 LEU 631 HG 0.04 -0.06 -0.16 -0.04 1.64 1.42 1cz7A1 LEU 631 HD13 0.25 -0.00 -0.11 -0.04 0.93 1.02 1cz7A1 LEU 631 HD23 -0.06 0.00 -0.12 -0.04 0.89 0.68 1cz7A1 MET 632 H -0.01 0.34 -0.52 -0.55 8.47 7.72 1cz7A1 MET 632 HA -0.64 -0.02 0.31 -0.75 4.52 3.41 1cz7A1 MET 632 HB2 -0.17 0.04 0.17 -0.04 2.15 2.16 1cz7A1 MET 632 HB3 -0.12 0.09 0.06 -0.04 2.03 2.01 1cz7A1 MET 632 HG2 -0.48 0.01 -0.25 -0.04 2.63 1.87 1cz7A1 MET 632 HG3 -1.80 -0.08 -0.00 -0.04 2.56 0.64 1cz7A1 MET 632 HE3 -0.01 0.01 -0.07 -0.04 2.10 1.99 1cz7A1 PRO 633 HA -0.10 0.06 0.55 -0.51 4.44 4.44 1cz7A1 PRO 633 HB2 -0.04 -0.03 0.08 -0.04 2.28 2.25 1cz7A1 PRO 633 HB3 -0.05 0.20 0.13 -0.04 2.02 2.26 1cz7A1 PRO 633 HG2 -0.04 0.06 -0.09 -0.04 2.03 1.91 1cz7A1 PRO 633 HG3 -0.03 -0.19 0.07 -0.04 2.03 1.84 1cz7A1 PRO 633 HD2 -0.06 0.16 -0.28 -0.04 3.68 3.45 1cz7A1 PRO 633 HD3 -0.08 0.18 -0.03 -0.04 3.65 3.68 1cz7A1 SER 634 H -0.04 1.04 -0.42 -0.55 8.46 8.49 1cz7A1 SER 634 HA 0.01 0.14 0.91 -0.75 4.49 4.80 1cz7A1 SER 634 HB2 -0.00 0.01 -0.03 -0.04 3.95 3.89 1cz7A1 SER 634 HB3 -0.00 0.06 -0.04 -0.04 3.93 3.91 1cz7A1 LEU 635 H 0.01 0.28 0.03 -0.55 8.37 8.15 1cz7A1 LEU 635 HA 0.12 0.17 0.60 -0.75 4.35 4.49 1cz7A1 LEU 635 HB2 0.28 0.04 -0.04 -0.04 1.64 1.88 1cz7A1 LEU 635 HB3 0.24 0.01 0.04 -0.04 1.64 1.88 1cz7A1 LEU 635 HG 0.15 0.02 -0.45 -0.04 1.64 1.31 1cz7A1 LEU 635 HD13 0.26 -0.03 -0.19 -0.04 0.93 0.93 1cz7A1 LEU 635 HD23 0.27 0.03 -0.09 -0.04 0.89 1.07 1cz7A1 GLY 636 H 0.03 -0.12 -0.13 -0.55 8.43 7.67 1cz7A1 GLY 636 HA2 0.11 0.06 0.23 -0.51 4.01 3.90 1cz7A1 GLY 636 HA3 0.04 -0.09 0.33 -0.51 4.01 3.77 1cz7A1 GLY 637 H 0.04 0.01 0.11 -0.55 8.43 8.05 1cz7A1 GLY 637 HA2 0.05 0.21 0.55 -0.51 4.01 4.31 1cz7A1 GLY 637 HA3 0.04 -0.06 0.39 -0.51 4.01 3.88 1cz7A1 ASN 638 H 0.06 0.01 0.10 -0.55 8.53 8.16 1cz7A1 ASN 638 HA 0.10 0.16 0.41 -0.75 4.76 4.69 1cz7A1 ASN 638 HB2 0.15 -0.04 0.01 -0.04 2.88 2.97 1cz7A1 ASN 638 HB3 0.46 0.03 0.11 -0.04 2.79 3.34 1cz7A1 ASN 638 HD21 0.01 -0.02 0.04 -0.04 7.03 7.02 1cz7A1 ASN 638 HD22 -0.05 0.03 0.05 -0.04 7.74 7.73 1cz7A1 SER 639 H 0.08 -0.11 -0.83 -0.55 8.46 7.05 1cz7A1 SER 639 HA 0.10 0.05 0.41 -0.75 4.49 4.30 1cz7A1 SER 639 HB2 0.06 0.11 -0.62 -0.04 3.95 3.46 1cz7A1 SER 639 HB3 0.05 0.19 -0.22 -0.04 3.93 3.91 1cz7A1 LYS 640 H 0.04 0.42 0.32 -0.55 8.42 8.65 1cz7A1 LYS 640 HA 0.00 0.40 0.99 -0.75 4.32 4.96 1cz7A1 LYS 640 HB2 -0.01 -0.10 0.15 -0.04 1.87 1.87 1cz7A1 LYS 640 HB3 -0.03 -0.10 0.02 -0.04 1.79 1.64 1cz7A1 LYS 640 HG2 -0.07 -0.07 -0.05 -0.04 1.46 1.23 1cz7A1 LYS 640 HG3 -0.03 0.28 -0.45 -0.04 1.46 1.22 1cz7A1 LYS 640 HD2 -0.07 0.03 -0.06 -0.04 1.69 1.55 1cz7A1 LYS 640 HD3 -0.11 -0.14 -0.07 -0.04 1.68 1.32 1cz7A1 LYS 640 HE2 -0.85 -0.05 -0.05 -0.04 2.99 1.99 1cz7A1 LYS 640 HE3 -0.26 -0.11 -0.07 -0.04 2.99 2.52 1cz7A1 THR 641 H -0.00 1.07 0.45 -0.55 8.28 9.24 1cz7A1 THR 641 HA 0.04 0.08 1.29 -0.75 4.39 5.05 1cz7A1 THR 641 HB 0.05 0.04 0.23 -0.04 4.32 4.60 1cz7A1 THR 641 HG23 0.20 -0.01 -0.16 -0.04 1.22 1.21 1cz7A1 LEU 642 H 0.03 0.40 0.38 -0.55 8.37 8.63 1cz7A1 LEU 642 HA -0.24 0.17 0.88 -0.75 4.35 4.40 1cz7A1 LEU 642 HB2 0.04 -0.04 0.11 -0.04 1.64 1.70 1cz7A1 LEU 642 HB3 -0.04 -0.09 -0.07 -0.04 1.64 1.40 1cz7A1 LEU 642 HG -0.34 -0.03 0.01 -0.04 1.64 1.25 1cz7A1 LEU 642 HD13 -0.07 0.05 -0.19 -0.04 0.93 0.67 1cz7A1 LEU 642 HD23 0.19 0.04 -0.09 -0.04 0.89 0.98 1cz7A1 MET 643 H -0.46 0.19 0.06 -0.55 8.47 7.72 1cz7A1 MET 643 HA 0.20 0.07 0.91 -0.75 4.52 4.95 1cz7A1 MET 643 HB2 0.04 0.11 -0.17 -0.04 2.15 2.10 1cz7A1 MET 643 HB3 -0.11 0.19 0.09 -0.04 2.03 2.15 1cz7A1 MET 643 HG2 0.02 0.02 -0.06 -0.04 2.63 2.57 1cz7A1 MET 643 HG3 0.01 -0.09 -0.24 -0.04 2.56 2.20 1cz7A1 MET 643 HE3 -0.12 -0.01 -0.10 -0.04 2.10 1.83 1cz7A1 PHE 644 H 0.41 0.83 0.32 -0.55 8.34 9.34 1cz7A1 PHE 644 HA 0.15 0.15 0.92 -0.75 4.62 5.09 1cz7A1 PHE 644 HB2 0.11 -0.04 0.17 -0.04 3.15 3.35 1cz7A1 PHE 644 HB3 0.08 -0.02 -0.15 -0.04 3.06 2.92 1cz7A1 PHE 644 HD2 0.10 0.05 -0.20 -0.04 7.28 7.20 1cz7A1 PHE 644 HE2 -0.07 -0.00 -0.15 -0.04 7.38 7.12 1cz7A1 PHE 644 HZ 0.08 0.10 -0.14 -0.04 7.32 7.32 1cz7A1 ILE 645 H 0.15 0.55 0.15 -0.55 8.25 8.55 1cz7A1 ILE 645 HA 0.25 0.20 0.86 -0.75 4.18 4.74 1cz7A1 ILE 645 HB 0.02 -0.07 0.24 -0.04 1.89 2.03 1cz7A1 ILE 645 HG12 0.11 0.13 0.02 -0.04 1.49 1.70 1cz7A1 ILE 645 HG13 0.19 -0.01 0.02 -0.04 1.21 1.37 1cz7A1 ILE 645 HG23 0.16 0.01 -0.17 -0.04 0.93 0.89 1cz7A1 ILE 645 HD13 0.04 0.02 -0.12 -0.04 0.88 0.78 1cz7A1 ASN 646 H 0.16 0.76 0.34 -0.55 8.53 9.23 1cz7A1 ASN 646 HA 0.02 0.26 0.82 -0.75 4.76 5.11 1cz7A1 ASN 646 HB2 0.04 -0.20 -0.22 -0.04 2.88 2.46 1cz7A1 ASN 646 HB3 -0.01 0.18 -0.36 -0.04 2.79 2.56 1cz7A1 ASN 646 HD21 -0.04 -0.00 -0.30 -0.04 7.03 6.65 1cz7A1 ASN 646 HD22 -0.02 0.12 -0.29 -0.04 7.74 7.51 1cz7A1 VAL 647 H -0.08 0.65 0.36 -0.55 8.24 8.62 1cz7A1 VAL 647 HA 0.00 0.00 0.71 -0.75 4.13 4.09 1cz7A1 VAL 647 HB 0.02 -0.01 -0.05 -0.04 2.12 2.05 1cz7A1 VAL 647 HG13 0.06 0.01 -0.16 -0.04 0.97 0.84 1cz7A1 VAL 647 HG23 -0.17 0.01 -0.11 -0.04 0.95 0.63 1cz7A1 SER 648 H 0.01 0.07 0.15 -0.55 8.46 8.14 1cz7A1 SER 648 HA -0.24 0.31 0.76 -0.75 4.49 4.57 1cz7A1 SER 648 HB2 0.04 -0.12 0.12 -0.04 3.95 3.95 1cz7A1 SER 648 HB3 -0.20 0.02 -0.03 -0.04 3.93 3.68 1cz7A1 PRO 649 HA 0.59 0.08 0.43 -0.51 4.44 5.02 1cz7A1 PRO 649 HB2 0.17 -0.04 0.23 -0.04 2.28 2.61 1cz7A1 PRO 649 HB3 -0.30 0.03 0.07 -0.04 2.02 1.77 1cz7A1 PRO 649 HG2 -0.78 -0.08 0.04 -0.04 2.03 1.16 1cz7A1 PRO 649 HG3 -0.28 0.22 0.15 -0.04 2.03 2.09 1cz7A1 PRO 649 HD2 -0.68 0.03 0.19 -0.04 3.68 3.18 1cz7A1 PRO 649 HD3 -0.36 0.21 0.31 -0.04 3.65 3.77 1cz7A1 PHE 650 H 0.15 0.41 -0.52 -0.55 8.34 7.83 1cz7A1 PHE 650 HA 0.17 0.27 1.14 -0.75 4.62 5.45 1cz7A1 PHE 650 HB2 0.12 -0.11 -0.01 -0.04 3.15 3.11 1cz7A1 PHE 650 HB3 0.10 -0.03 -0.02 -0.04 3.06 3.07 1cz7A1 PHE 650 HD2 0.09 0.07 -0.16 -0.04 7.28 7.24 1cz7A1 PHE 650 HE2 0.05 0.04 -0.04 -0.04 7.38 7.38 1cz7A1 PHE 650 HZ 0.03 -0.20 0.06 -0.04 7.32 7.17 1cz7A1 GLN 651 H 0.26 1.73 0.71 -0.55 8.47 10.62 1cz7A1 GLN 651 HA 0.16 -0.03 0.28 -0.75 4.36 4.01 1cz7A1 GLN 651 HB2 0.06 0.30 -0.05 -0.04 2.15 2.41 1cz7A1 GLN 651 HB3 0.07 -0.13 0.18 -0.04 2.02 2.10 1cz7A1 GLN 651 HG2 -0.02 -0.02 -0.02 -0.04 2.40 2.30 1cz7A1 GLN 651 HG3 0.01 0.00 -0.23 -0.04 2.39 2.14 1cz7A1 GLN 651 HE21 -0.44 -0.12 0.04 -0.04 6.97 6.40 1cz7A1 GLN 651 HE22 -0.15 0.07 -0.03 -0.04 7.69 7.54 1cz7A1 ASP 652 H 0.14 0.13 -0.04 -0.55 8.40 8.08 1cz7A1 ASP 652 HA 0.10 0.07 0.35 -0.75 4.63 4.40 1cz7A1 ASP 652 HB2 0.07 0.05 0.04 -0.04 2.71 2.84 1cz7A1 ASP 652 HB3 0.06 0.01 0.12 -0.04 2.70 2.84 1cz7A1 CYS 653 H 0.24 0.14 -0.37 -0.55 8.50 7.97 1cz7A1 CYS 653 HA 0.13 0.05 0.47 -0.75 4.58 4.48 1cz7A1 CYS 653 HB2 0.22 0.17 0.21 -0.04 2.97 3.53 1cz7A1 CYS 653 HB3 0.14 -0.11 0.08 -0.04 2.97 3.03 1cz7A1 PHE 654 H 0.30 0.68 0.06 -0.55 8.34 8.83 1cz7A1 PHE 654 HA 0.11 -0.02 0.30 -0.75 4.62 4.25 1cz7A1 PHE 654 HB2 0.05 -0.03 0.07 -0.04 3.15 3.19 1cz7A1 PHE 654 HB3 0.05 0.22 0.07 -0.04 3.06 3.37 1cz7A1 PHE 654 HD2 -0.02 -0.02 -0.13 -0.04 7.28 7.07 1cz7A1 PHE 654 HE2 -0.01 0.05 -0.18 -0.04 7.38 7.20 1cz7A1 PHE 654 HZ 0.02 0.09 -0.08 -0.04 7.32 7.31 1cz7A1 GLN 655 H 0.32 0.22 -0.10 -0.55 8.47 8.37 1cz7A1 GLN 655 HA -0.11 -0.00 0.33 -0.75 4.36 3.83 1cz7A1 GLN 655 HB2 0.12 0.09 0.14 -0.04 2.15 2.46 1cz7A1 GLN 655 HB3 0.08 -0.01 0.10 -0.04 2.02 2.14 1cz7A1 GLN 655 HG2 0.30 -0.01 0.07 -0.04 2.40 2.71 1cz7A1 GLN 655 HG3 0.36 -0.00 0.08 -0.04 2.39 2.79 1cz7A1 GLN 655 HE21 0.08 -0.01 0.02 -0.04 6.97 7.02 1cz7A1 GLN 655 HE22 0.13 -0.01 0.03 -0.04 7.69 7.80 1cz7A1 GLU 656 H 0.03 1.06 -0.21 -0.55 8.60 8.94 1cz7A1 GLU 656 HA 0.01 0.11 0.70 -0.75 4.29 4.35 1cz7A1 GLU 656 HB2 0.05 0.03 0.16 -0.04 2.09 2.29 1cz7A1 GLU 656 HB3 0.03 -0.09 -0.03 -0.04 1.99 1.86 1cz7A1 GLU 656 HG2 0.04 0.06 0.03 -0.04 2.34 2.43 1cz7A1 GLU 656 HG3 0.03 -0.04 0.07 -0.04 2.34 2.36 1cz7A1 SER 657 H 0.03 0.08 -0.26 -0.55 8.46 7.78 1cz7A1 SER 657 HA 0.06 -0.04 0.32 -0.75 4.49 4.08 1cz7A1 SER 657 HB2 0.08 -0.05 0.01 -0.04 3.95 3.95 1cz7A1 SER 657 HB3 0.16 0.05 -0.12 -0.04 3.93 3.99 1cz7A1 VAL 658 H -0.23 0.63 -0.50 -0.55 8.24 7.59 1cz7A1 VAL 658 HA -0.07 0.03 0.39 -0.75 4.13 3.73 1cz7A1 VAL 658 HB -0.01 0.00 0.00 -0.04 2.12 2.08 1cz7A1 VAL 658 HG13 -0.71 0.06 -0.11 -0.04 0.97 0.16 1cz7A1 VAL 658 HG23 -0.13 0.05 -0.06 -0.04 0.95 0.77 1cz7A1 LYS 659 H -0.04 0.33 -0.05 -0.55 8.42 8.10 1cz7A1 LYS 659 HA 0.03 -0.00 0.39 -0.75 4.32 3.97 1cz7A1 LYS 659 HB2 0.03 0.01 0.19 -0.04 1.87 2.05 1cz7A1 LYS 659 HB3 0.04 -0.02 0.06 -0.04 1.79 1.82 1cz7A1 LYS 659 HG2 0.02 -0.06 0.13 -0.04 1.46 1.51 1cz7A1 LYS 659 HG3 -0.01 0.32 0.36 -0.04 1.46 2.08 1cz7A1 LYS 659 HD2 0.02 -0.10 0.10 -0.04 1.69 1.67 1cz7A1 LYS 659 HD3 0.02 -0.02 0.05 -0.04 1.68 1.69 1cz7A1 LYS 659 HE2 0.02 -0.04 0.06 -0.04 2.99 2.99 1cz7A1 LYS 659 HE3 0.02 0.31 0.09 -0.04 2.99 3.37 1cz7A1 SER 660 H 0.04 0.39 -0.25 -0.55 8.46 8.09 1cz7A1 SER 660 HA 0.23 0.01 0.31 -0.75 4.49 4.28 1cz7A1 SER 660 HB2 0.08 0.16 -0.01 -0.04 3.95 4.14 1cz7A1 SER 660 HB3 0.22 -0.01 0.01 -0.04 3.93 4.11 1cz7A1 LEU 661 H -0.10 0.40 -0.38 -0.55 8.37 7.75 1cz7A1 LEU 661 HA -0.07 0.06 0.50 -0.75 4.35 4.09 1cz7A1 LEU 661 HB2 -0.93 0.11 0.13 -0.04 1.64 0.91 1cz7A1 LEU 661 HB3 -1.32 -0.04 -0.03 -0.04 1.64 0.21 1cz7A1 LEU 661 HG -0.04 0.11 0.01 -0.04 1.64 1.67 1cz7A1 LEU 661 HD13 0.13 -0.03 -0.12 -0.04 0.93 0.87 1cz7A1 LEU 661 HD23 0.17 -0.01 -0.12 -0.04 0.89 0.89 1cz7A1 ARG 662 H -0.14 0.63 0.05 -0.55 8.46 8.45 1cz7A1 ARG 662 HA 0.11 -0.00 0.35 -0.75 4.34 4.05 1cz7A1 ARG 662 HB2 0.06 0.13 0.16 -0.04 1.90 2.22 1cz7A1 ARG 662 HB3 0.09 -0.03 0.03 -0.04 1.80 1.84 1cz7A1 ARG 662 HG2 0.27 -0.03 0.03 -0.04 1.67 1.91 1cz7A1 ARG 662 HG3 0.08 0.14 -0.08 -0.04 1.67 1.77 1cz7A1 ARG 662 HD2 0.07 -0.02 -0.02 -0.04 3.22 3.21 1cz7A1 ARG 662 HD3 0.10 -0.00 0.00 -0.04 3.22 3.27 1cz7A1 PHE 663 H 0.13 0.42 -0.37 -0.55 8.34 7.96 1cz7A1 PHE 663 HA -0.05 -0.00 0.34 -0.75 4.62 4.15 1cz7A1 PHE 663 HB2 -0.07 -0.03 0.08 -0.04 3.15 3.08 1cz7A1 PHE 663 HB3 -0.15 0.20 0.08 -0.04 3.06 3.14 1cz7A1 PHE 663 HD2 -0.24 0.00 -0.05 -0.04 7.28 6.96 1cz7A1 PHE 663 HE2 -0.21 0.03 -0.05 -0.04 7.38 7.11 1cz7A1 PHE 663 HZ -0.19 0.03 -0.03 -0.04 7.32 7.09 1cz7A1 ALA 664 H -0.04 0.34 -0.25 -0.55 8.40 7.91 1cz7A1 ALA 664 HA -0.34 0.00 0.46 -0.75 4.34 3.71 1cz7A1 ALA 664 HB3 0.00 0.03 0.11 -0.04 1.41 1.52 1cz7A1 ALA 665 H -0.09 0.45 -0.11 -0.55 8.40 8.10 1cz7A1 ALA 665 HA -0.08 0.05 0.59 -0.75 4.34 4.14 1cz7A1 ALA 665 HB3 0.25 -0.00 0.10 -0.04 1.41 1.72 1cz7A1 SER 666 H -0.09 0.75 0.02 -0.55 8.46 8.60 1cz7A1 SER 666 HA -0.05 0.01 0.42 -0.75 4.49 4.12 1cz7A1 SER 666 HB2 -0.02 -0.05 0.06 -0.04 3.95 3.89 1cz7A1 SER 666 HB3 0.00 -0.05 0.06 -0.04 3.93 3.90 1cz7A1 VAL 667 H -0.31 0.32 -0.47 -0.55 8.24 7.23 1cz7A1 VAL 667 HA -0.23 0.05 0.51 -0.75 4.13 3.70 1cz7A1 VAL 667 HB -0.40 0.15 0.26 -0.04 2.12 2.08 1cz7A1 VAL 667 HG13 -0.21 -0.00 -0.08 -0.04 0.97 0.63 1cz7A1 VAL 667 HG23 -0.82 0.02 0.01 -0.04 0.95 0.12 1cz7A1 ASN 668 H -0.19 0.42 0.10 -0.55 8.53 8.32 1cz7A1 ASN 668 HA -0.10 0.03 0.36 -0.75 4.76 4.29 1cz7A1 ASN 668 HB2 -0.09 -0.02 0.09 -0.04 2.88 2.82 1cz7A1 ASN 668 HB3 -0.12 0.00 0.16 -0.04 2.79 2.79 1cz7A1 ASN 668 HD21 -0.09 -0.08 0.07 -0.04 7.03 6.89 1cz7A1 ASN 668 HD22 -0.08 -0.02 -0.34 -0.04 7.74 7.26 1cz7A1 SER 669 H -0.09 0.24 -0.86 -0.55 8.46 7.20 1cz7A1 SER 669 HA -0.05 0.03 0.50 -0.75 4.49 4.21 1cz7A1 SER 669 HB2 -0.04 -0.11 0.09 -0.04 3.95 3.85 1cz7A1 SER 669 HB3 -0.05 0.19 0.10 -0.04 3.93 4.13 1cz7A1 CYS 670 H -0.08 0.80 -0.08 -0.55 8.50 8.60 1cz7A1 CYS 670 HA -0.04 0.05 0.70 -0.75 4.58 4.53 1cz7A1 CYS 670 HB2 -0.07 0.20 0.25 -0.04 2.97 3.30 1cz7A1 CYS 670 HB3 -0.05 -0.01 -0.10 -0.04 2.97 2.77 1cz7A1 LYS 671 H -0.07 0.18 -0.04 -0.55 8.42 7.93 1cz7A1 LYS 671 HA -0.04 0.16 0.39 -0.75 4.32 4.07 1cz7A1 MET 672 H -0.04 0.14 -1.91 -0.55 8.47 6.11 1cz7A1 MET 672 HA -0.03 0.15 0.64 -0.75 4.52 4.52