============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 6 rings ring int. center anis. iso. PHE 5 1.000 29.921 11.805 -2.091 -99.200 -91.000 PHE 48 1.000 -20.310 -2.768 0.579 -99.200 -91.000 TRP 96 1.040 16.837 -4.121 -3.408 -99.200 -91.000 TRP6 96 1.020 17.403 -2.731 -1.583 -99.200 -91.000 HIS 125 0.900 -21.856 7.297 -7.356 -99.200 -91.000 PHE 187 1.000 -19.385 -12.271 -6.484 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 2jswA12 GLY 2294 HA2 0.00 -0.04 0.14 -0.51 4.01 3.60 2jswA12 GLY 2294 HA3 -0.00 -0.09 0.23 -0.51 4.01 3.64 2jswA12 ILE 2295 H -0.01 0.08 0.09 -0.55 8.25 7.87 2jswA12 ILE 2295 HA 0.01 0.19 0.90 -0.75 4.18 4.53 2jswA12 ILE 2295 HB 0.00 -0.05 0.14 -0.04 1.89 1.94 2jswA12 ILE 2295 HG12 -0.01 -0.04 0.04 -0.04 1.49 1.44 2jswA12 ILE 2295 HG13 -0.02 0.02 -0.26 -0.04 1.21 0.91 2jswA12 ILE 2295 HG23 0.00 0.00 -0.06 -0.04 0.93 0.84 2jswA12 ILE 2295 HD13 -0.01 0.00 -0.04 -0.04 0.88 0.79 2jswA12 ASP 2296 H 0.02 0.09 0.18 -0.55 8.40 8.14 2jswA12 ASP 2296 HA -0.03 0.32 0.89 -0.75 4.63 5.06 2jswA12 ASP 2296 HB2 0.33 0.00 0.12 -0.04 2.71 3.11 2jswA12 ASP 2296 HB3 0.15 0.12 0.05 -0.04 2.70 2.98 2jswA12 PRO 2297 HA -0.17 0.15 0.49 -0.51 4.44 4.40 2jswA12 PRO 2297 HB2 -0.35 0.04 0.16 -0.04 2.28 2.09 2jswA12 PRO 2297 HB3 -0.23 0.06 0.09 -0.04 2.02 1.89 2jswA12 PRO 2297 HG2 -1.42 0.02 -0.05 -0.04 2.03 0.54 2jswA12 PRO 2297 HG3 -0.41 0.07 0.06 -0.04 2.03 1.71 2jswA12 PRO 2297 HD2 -0.59 0.05 0.19 -0.04 3.68 3.29 2jswA12 PRO 2297 HD3 -0.23 0.27 0.22 -0.04 3.65 3.87 2jswA12 PHE 2298 H -0.07 -0.04 -0.71 -0.55 8.34 6.97 2jswA12 PHE 2298 HA 0.01 0.26 0.83 -0.75 4.62 4.97 2jswA12 PHE 2298 HB2 0.01 -0.13 0.10 -0.04 3.15 3.08 2jswA12 PHE 2298 HB3 0.01 0.01 -0.02 -0.04 3.06 3.02 2jswA12 PHE 2298 HD2 0.01 -0.01 -0.01 -0.04 7.28 7.23 2jswA12 PHE 2298 HE2 0.00 0.04 -0.01 -0.04 7.38 7.37 2jswA12 PHE 2298 HZ 0.00 0.04 -0.01 -0.04 7.32 7.31 2jswA12 THR 2299 H 0.17 0.01 0.02 -0.55 8.28 7.93 2jswA12 THR 2299 HA 0.08 0.00 0.32 -0.75 4.39 4.03 2jswA12 THR 2299 HB 0.04 -0.02 0.12 -0.04 4.32 4.43 2jswA12 THR 2299 HG23 0.03 0.02 -0.01 -0.04 1.22 1.23 2jswA12 ASP 2300 H 0.09 0.07 -0.04 -0.55 8.40 7.97 2jswA12 ASP 2300 HA 0.06 0.20 0.42 -0.75 4.63 4.56 2jswA12 ASP 2300 HB2 0.03 -0.08 0.13 -0.04 2.71 2.74 2jswA12 ASP 2300 HB3 0.03 -0.03 -0.05 -0.04 2.70 2.61 2jswA12 PRO 2301 HA 0.03 0.15 0.28 -0.51 4.44 4.39 2jswA12 PRO 2301 HB2 0.08 0.04 -0.01 -0.04 2.28 2.35 2jswA12 PRO 2301 HB3 0.05 0.15 0.14 -0.04 2.02 2.32 2jswA12 PRO 2301 HG2 0.08 -0.10 -0.01 -0.04 2.03 1.96 2jswA12 PRO 2301 HG3 0.06 0.06 0.02 -0.04 2.03 2.13 2jswA12 PRO 2301 HD2 0.06 0.01 -0.01 -0.04 3.68 3.69 2jswA12 PRO 2301 HD3 0.05 0.41 0.23 -0.04 3.65 4.30 2jswA12 THR 2302 H 0.07 0.11 -0.21 -0.55 8.28 7.70 2jswA12 THR 2302 HA 0.08 0.14 0.41 -0.75 4.39 4.27 2jswA12 THR 2302 HB 0.13 0.12 0.01 -0.04 4.32 4.53 2jswA12 THR 2302 HG23 0.26 0.06 0.02 -0.04 1.22 1.52 2jswA12 VAL 2303 H 0.03 0.06 -0.36 -0.55 8.24 7.43 2jswA12 VAL 2303 HA 0.01 0.14 0.56 -0.75 4.13 4.09 2jswA12 VAL 2303 HB 0.02 0.04 0.11 -0.04 2.12 2.25 2jswA12 VAL 2303 HG13 0.01 0.02 -0.07 -0.04 0.97 0.88 2jswA12 VAL 2303 HG23 -0.01 0.01 0.01 -0.04 0.95 0.92 2jswA12 ILE 2304 H 0.02 0.52 -0.12 -0.55 8.25 8.11 2jswA12 ILE 2304 HA 0.00 0.06 0.47 -0.75 4.18 3.96 2jswA12 ILE 2304 HB 0.00 0.10 0.06 -0.04 1.89 2.02 2jswA12 ILE 2304 HG12 0.02 -0.02 -0.02 -0.04 1.49 1.43 2jswA12 ILE 2304 HG13 0.03 0.24 -0.02 -0.04 1.21 1.42 2jswA12 ILE 2304 HG23 -0.00 0.00 -0.07 -0.04 0.93 0.81 2jswA12 ILE 2304 HD13 0.02 -0.02 -0.14 -0.04 0.88 0.70 2jswA12 ALA 2305 H -0.01 0.43 -0.24 -0.55 8.40 8.03 2jswA12 ALA 2305 HA -0.07 0.04 0.40 -0.75 4.34 3.96 2jswA12 ALA 2305 HB3 -0.11 0.04 0.12 -0.04 1.41 1.41 2jswA12 GLU 2306 H -0.01 0.44 -0.29 -0.55 8.60 8.18 2jswA12 GLU 2306 HA -0.02 0.01 0.40 -0.75 4.29 3.92 2jswA12 GLU 2306 HB2 0.01 0.07 0.18 -0.04 2.09 2.31 2jswA12 GLU 2306 HB3 0.00 0.15 0.22 -0.04 1.99 2.32 2jswA12 GLU 2306 HG2 -0.00 -0.04 -0.15 -0.04 2.34 2.11 2jswA12 GLU 2306 HG3 0.01 -0.01 0.04 -0.04 2.34 2.34 2jswA12 ASN 2307 H -0.01 0.54 -0.14 -0.55 8.53 8.37 2jswA12 ASN 2307 HA -0.01 0.03 0.31 -0.75 4.76 4.34 2jswA12 ASN 2307 HB2 -0.00 -0.02 0.09 -0.04 2.88 2.90 2jswA12 ASN 2307 HB3 -0.00 0.06 0.13 -0.04 2.79 2.94 2jswA12 ASN 2307 HD21 0.01 -0.01 -0.02 -0.04 7.03 6.96 2jswA12 ASN 2307 HD22 0.00 -0.05 0.05 -0.04 7.74 7.70 2jswA12 GLU 2308 H -0.02 0.51 -0.25 -0.55 8.60 8.29 2jswA12 GLU 2308 HA -0.02 0.03 0.49 -0.75 4.29 4.04 2jswA12 GLU 2308 HB2 -0.05 0.12 0.17 -0.04 2.09 2.29 2jswA12 GLU 2308 HB3 -0.04 -0.05 0.03 -0.04 1.99 1.90 2jswA12 GLU 2308 HG2 -0.02 0.07 0.05 -0.04 2.34 2.40 2jswA12 GLU 2308 HG3 -0.03 -0.05 -0.03 -0.04 2.34 2.19 2jswA12 LEU 2309 H -0.04 0.63 -0.10 -0.55 8.37 8.31 2jswA12 LEU 2309 HA -0.05 -0.00 0.46 -0.75 4.35 4.01 2jswA12 LEU 2309 HB2 -0.04 0.14 0.23 -0.04 1.64 1.92 2jswA12 LEU 2309 HB3 -0.04 0.00 0.04 -0.04 1.64 1.60 2jswA12 LEU 2309 HG -0.09 0.22 0.06 -0.04 1.64 1.79 2jswA12 LEU 2309 HD13 -0.10 -0.04 -0.10 -0.04 0.93 0.66 2jswA12 LEU 2309 HD23 -0.09 -0.02 -0.01 -0.04 0.89 0.73 2jswA12 LEU 2310 H -0.02 0.56 -0.11 -0.55 8.37 8.25 2jswA12 LEU 2310 HA -0.01 0.01 0.41 -0.75 4.35 4.00 2jswA12 LEU 2310 HB2 -0.01 0.13 0.15 -0.04 1.64 1.87 2jswA12 LEU 2310 HB3 -0.01 -0.01 -0.02 -0.04 1.64 1.56 2jswA12 LEU 2310 HG -0.01 -0.03 0.04 -0.04 1.64 1.60 2jswA12 LEU 2310 HD13 -0.01 0.04 0.01 -0.04 0.93 0.93 2jswA12 LEU 2310 HD23 -0.00 -0.01 -0.02 -0.04 0.89 0.82 2jswA12 GLY 2311 H -0.02 0.37 -0.32 -0.55 8.43 7.92 2jswA12 GLY 2311 HA2 -0.01 0.04 0.48 -0.51 4.01 4.01 2jswA12 GLY 2311 HA3 -0.01 0.08 0.33 -0.51 4.01 3.90 2jswA12 ALA 2312 H -0.02 0.71 -0.01 -0.55 8.40 8.52 2jswA12 ALA 2312 HA -0.02 0.02 0.43 -0.75 4.34 4.01 2jswA12 ALA 2312 HB3 -0.03 0.03 0.06 -0.04 1.41 1.44 2jswA12 ALA 2313 H -0.02 0.64 -0.18 -0.55 8.40 8.29 2jswA12 ALA 2313 HA -0.01 -0.01 0.50 -0.75 4.34 4.06 2jswA12 ALA 2313 HB3 -0.01 0.04 0.11 -0.04 1.41 1.50 2jswA12 ALA 2314 H -0.01 0.41 -0.34 -0.55 8.40 7.91 2jswA12 ALA 2314 HA -0.01 0.01 0.44 -0.75 4.34 4.03 2jswA12 ALA 2314 HB3 -0.01 0.06 0.14 -0.04 1.41 1.56 2jswA12 ALA 2315 H -0.01 0.43 -0.23 -0.55 8.40 8.04 2jswA12 ALA 2315 HA -0.01 0.04 0.47 -0.75 4.34 4.08 2jswA12 ALA 2315 HB3 -0.01 0.06 0.13 -0.04 1.41 1.55 2jswA12 ILE 2316 H -0.01 0.43 -0.18 -0.55 8.25 7.94 2jswA12 ILE 2316 HA -0.01 0.04 0.49 -0.75 4.18 3.95 2jswA12 ILE 2316 HB -0.01 0.13 0.18 -0.04 1.89 2.15 2jswA12 ILE 2316 HG12 -0.01 -0.03 0.05 -0.04 1.49 1.46 2jswA12 ILE 2316 HG13 -0.01 0.30 0.16 -0.04 1.21 1.62 2jswA12 ILE 2316 HG23 -0.01 -0.01 0.05 -0.04 0.93 0.92 2jswA12 ILE 2316 HD13 -0.01 -0.03 -0.14 -0.04 0.88 0.65 2jswA12 GLU 2317 H -0.01 0.43 -0.21 -0.55 8.60 8.27 2jswA12 GLU 2317 HA -0.01 0.03 0.49 -0.75 4.29 4.05 2jswA12 GLU 2317 HB2 -0.01 0.23 0.19 -0.04 2.09 2.46 2jswA12 GLU 2317 HB3 -0.01 -0.05 0.06 -0.04 1.99 1.96 2jswA12 GLU 2317 HG2 -0.01 -0.05 0.06 -0.04 2.34 2.30 2jswA12 GLU 2317 HG3 -0.01 0.31 0.10 -0.04 2.34 2.70 2jswA12 ALA 2318 H -0.01 0.39 -0.39 -0.55 8.40 7.85 2jswA12 ALA 2318 HA -0.01 0.04 0.52 -0.75 4.34 4.14 2jswA12 ALA 2318 HB3 -0.01 0.05 0.13 -0.04 1.41 1.55 2jswA12 ALA 2319 H -0.01 0.32 -0.22 -0.55 8.40 7.95 2jswA12 ALA 2319 HA -0.01 0.08 0.62 -0.75 4.34 4.28 2jswA12 ALA 2319 HB3 -0.01 0.04 0.16 -0.04 1.41 1.56 2jswA12 ALA 2320 H -0.01 0.72 0.04 -0.55 8.40 8.60 2jswA12 ALA 2320 HA -0.01 0.00 0.42 -0.75 4.34 4.01 2jswA12 ALA 2320 HB3 -0.01 0.04 0.01 -0.04 1.41 1.41 2jswA12 LYS 2321 H -0.01 0.30 -0.60 -0.55 8.42 7.56 2jswA12 LYS 2321 HA -0.00 0.03 0.46 -0.75 4.32 4.05 2jswA12 LYS 2321 HB2 -0.00 0.09 0.15 -0.04 1.87 2.06 2jswA12 LYS 2321 HB3 -0.00 0.28 0.14 -0.04 1.79 2.17 2jswA12 LYS 2321 HG2 -0.00 -0.01 -0.18 -0.04 1.46 1.23 2jswA12 LYS 2321 HG3 -0.00 -0.04 0.05 -0.04 1.46 1.42 2jswA12 LYS 2321 HD2 -0.00 0.03 0.02 -0.04 1.69 1.70 2jswA12 LYS 2321 HD3 -0.00 -0.04 -0.01 -0.04 1.68 1.59 2jswA12 LYS 2321 HE2 -0.00 0.06 -0.01 -0.04 2.99 3.00 2jswA12 LYS 2321 HE3 -0.00 -0.04 -0.01 -0.04 2.99 2.90 2jswA12 LYS 2322 H -0.01 0.37 -0.28 -0.55 8.42 7.94 2jswA12 LYS 2322 HA -0.00 0.04 0.47 -0.75 4.32 4.07 2jswA12 LYS 2322 HB2 -0.01 0.18 0.15 -0.04 1.87 2.15 2jswA12 LYS 2322 HB3 -0.00 -0.04 0.04 -0.04 1.79 1.74 2jswA12 LYS 2322 HG2 -0.00 -0.05 0.04 -0.04 1.46 1.40 2jswA12 LYS 2322 HG3 -0.00 0.23 0.17 -0.04 1.46 1.81 2jswA12 LYS 2322 HD2 -0.01 -0.03 0.01 -0.04 1.69 1.62 2jswA12 LYS 2322 HD3 -0.01 -0.02 0.07 -0.04 1.68 1.68 2jswA12 LYS 2322 HE2 -0.01 0.02 -0.02 -0.04 2.99 2.94 2jswA12 LYS 2322 HE3 -0.00 -0.02 0.00 -0.04 2.99 2.93 2jswA12 LEU 2323 H -0.01 0.31 -0.31 -0.55 8.37 7.81 2jswA12 LEU 2323 HA -0.01 0.04 0.45 -0.75 4.35 4.08 2jswA12 LEU 2323 HB2 -0.01 0.08 0.22 -0.04 1.64 1.90 2jswA12 LEU 2323 HB3 -0.01 -0.01 -0.01 -0.04 1.64 1.57 2jswA12 LEU 2323 HG -0.01 -0.05 -0.09 -0.04 1.64 1.44 2jswA12 LEU 2323 HD13 -0.02 0.00 -0.02 -0.04 0.93 0.86 2jswA12 LEU 2323 HD23 -0.01 0.03 -0.08 -0.04 0.89 0.79 2jswA12 GLU 2324 H -0.01 0.42 -0.24 -0.55 8.60 8.22 2jswA12 GLU 2324 HA -0.01 0.04 0.48 -0.75 4.29 4.05 2jswA12 GLU 2324 HB2 -0.00 0.16 0.14 -0.04 2.09 2.34 2jswA12 GLU 2324 HB3 -0.00 -0.07 0.03 -0.04 1.99 1.91 2jswA12 GLU 2324 HG2 -0.01 -0.06 0.02 -0.04 2.34 2.25 2jswA12 GLU 2324 HG3 -0.01 0.33 0.11 -0.04 2.34 2.73 2jswA12 GLN 2325 H -0.00 0.30 -0.32 -0.55 8.47 7.90 2jswA12 GLN 2325 HA -0.00 0.02 0.31 -0.75 4.36 3.93 2jswA12 GLN 2325 HB2 -0.00 0.09 0.10 -0.04 2.15 2.30 2jswA12 GLN 2325 HB3 -0.00 -0.08 0.09 -0.04 2.02 1.99 2jswA12 GLN 2325 HG2 -0.00 -0.06 0.01 -0.04 2.40 2.30 2jswA12 GLN 2325 HG3 -0.00 0.21 0.07 -0.04 2.39 2.63 2jswA12 GLN 2325 HE21 -0.00 0.03 -0.06 -0.04 6.97 6.89 2jswA12 GLN 2325 HE22 -0.00 -0.06 -0.06 -0.04 7.69 7.52 2jswA12 LEU 2326 H -0.00 0.19 -0.71 -0.55 8.37 7.29 2jswA12 LEU 2326 HA 0.00 -0.02 0.64 -0.75 4.35 4.22 2jswA12 LEU 2326 HB2 -0.01 0.22 0.18 -0.04 1.64 2.00 2jswA12 LEU 2326 HB3 -0.01 -0.08 -0.00 -0.04 1.64 1.51 2jswA12 LEU 2326 HG -0.00 0.33 0.07 -0.04 1.64 2.00 2jswA12 LEU 2326 HD13 -0.01 -0.03 -0.10 -0.04 0.93 0.75 2jswA12 LEU 2326 HD23 0.00 -0.02 0.01 -0.04 0.89 0.84 2jswA12 LYS 2327 H 0.00 0.16 0.19 -0.55 8.42 8.22 2jswA12 LYS 2327 HA -0.00 0.14 0.47 -0.75 4.32 4.17 2jswA12 LYS 2327 HB2 0.00 0.06 0.11 -0.04 1.87 2.00 2jswA12 LYS 2327 HB3 0.00 -0.00 0.01 -0.04 1.79 1.76 2jswA12 LYS 2327 HG2 0.00 -0.08 0.02 -0.04 1.46 1.36 2jswA12 LYS 2327 HG3 0.00 0.03 0.06 -0.04 1.46 1.51 2jswA12 LYS 2327 HD2 -0.00 0.08 -0.00 -0.04 1.69 1.73 2jswA12 LYS 2327 HD3 -0.00 0.02 -0.04 -0.04 1.68 1.62 2jswA12 LYS 2327 HE2 -0.00 -0.02 -0.00 -0.04 2.99 2.92 2jswA12 LYS 2327 HE3 -0.00 -0.05 0.01 -0.04 2.99 2.90 2jswA12 PRO 2328 HA -0.00 -0.08 0.39 -0.51 4.44 4.24 2jswA12 PRO 2328 HB2 0.00 0.08 -0.03 -0.04 2.28 2.29 2jswA12 PRO 2328 HB3 -0.00 -0.04 0.11 -0.04 2.02 2.05 2jswA12 PRO 2328 HG2 -0.00 0.01 0.09 -0.04 2.03 2.09 2jswA12 PRO 2328 HG3 -0.00 0.00 0.09 -0.04 2.03 2.08 2jswA12 PRO 2328 HD2 -0.00 0.08 0.25 -0.04 3.68 3.96 2jswA12 PRO 2328 HD3 -0.00 0.17 0.19 -0.04 3.65 3.96 2jswA12 ARG 2329 H 0.00 -0.02 0.16 -0.55 8.46 8.05 2jswA12 ARG 2329 HA 0.01 0.22 0.78 -0.75 4.34 4.60 2jswA12 ARG 2329 HB2 0.01 -0.07 0.10 -0.04 1.90 1.90 2jswA12 ARG 2329 HB3 0.01 -0.17 0.18 -0.04 1.80 1.78 2jswA12 ARG 2329 HG2 0.01 0.15 -0.14 -0.04 1.67 1.65 2jswA12 ARG 2329 HG3 0.02 0.25 -0.14 -0.04 1.67 1.76 2jswA12 ARG 2329 HD2 0.01 0.07 -0.10 -0.04 3.22 3.16 2jswA12 ARG 2329 HD3 0.01 -0.01 -0.08 -0.04 3.22 3.10 2jswA12 ALA 2330 H 0.01 0.10 0.11 -0.55 8.40 8.07 2jswA12 ALA 2330 HA 0.01 -0.05 0.39 -0.75 4.34 3.94 2jswA12 ALA 2330 HB3 0.01 0.05 0.02 -0.04 1.41 1.45 2jswA12 LYS 2331 H 0.00 0.02 0.15 -0.55 8.42 8.04 2jswA12 LYS 2331 HA 0.00 0.20 0.71 -0.75 4.32 4.48 2jswA12 LYS 2331 HB2 0.00 -0.07 0.07 -0.04 1.87 1.83 2jswA12 LYS 2331 HB3 0.00 0.07 0.01 -0.04 1.79 1.83 2jswA12 LYS 2331 HG2 0.00 0.06 0.02 -0.04 1.46 1.50 2jswA12 LYS 2331 HG3 0.00 -0.07 0.02 -0.04 1.46 1.37 2jswA12 LYS 2331 HD2 -0.00 -0.03 0.02 -0.04 1.69 1.63 2jswA12 LYS 2331 HD3 -0.00 0.02 0.00 -0.04 1.68 1.66 2jswA12 LYS 2331 HE2 -0.00 -0.01 0.01 -0.04 2.99 2.94 2jswA12 LYS 2331 HE3 0.00 0.02 0.00 -0.04 2.99 2.97 2jswA12 PRO 2332 HA 0.00 0.11 0.41 -0.51 4.44 4.45 2jswA12 PRO 2332 HB2 0.00 0.01 0.18 -0.04 2.28 2.43 2jswA12 PRO 2332 HB3 0.00 0.04 0.12 -0.04 2.02 2.15 2jswA12 PRO 2332 HG2 0.00 -0.01 0.12 -0.04 2.03 2.11 2jswA12 PRO 2332 HG3 0.00 0.04 0.10 -0.04 2.03 2.13 2jswA12 PRO 2332 HD2 0.00 0.03 0.18 -0.04 3.68 3.86 2jswA12 PRO 2332 HD3 0.00 0.21 0.19 -0.04 3.65 4.02 2jswA12 LYS 2333 H 0.01 0.35 0.36 -0.55 8.42 8.58 2jswA12 LYS 2333 HA 0.00 0.08 0.60 -0.75 4.32 4.25 2jswA12 LYS 2333 HB2 0.01 0.02 0.11 -0.04 1.87 1.96 2jswA12 LYS 2333 HB3 0.00 -0.07 0.17 -0.04 1.79 1.86 2jswA12 LYS 2333 HG2 0.00 0.24 -0.01 -0.04 1.46 1.65 2jswA12 LYS 2333 HG3 0.00 -0.07 0.05 -0.04 1.46 1.40 2jswA12 LYS 2333 HD2 0.00 -0.03 0.02 -0.04 1.69 1.64 2jswA12 LYS 2333 HD3 0.00 0.04 -0.19 -0.04 1.68 1.49 2jswA12 LYS 2333 HE2 -0.00 0.01 -0.03 -0.04 2.99 2.93 2jswA12 LYS 2333 HE3 -0.00 -0.03 -0.02 -0.04 2.99 2.89 2jswA12 GLU 2334 H 0.00 0.08 0.15 -0.55 8.60 8.28 2jswA12 GLU 2334 HA 0.00 0.19 0.73 -0.75 4.29 4.46 2jswA12 GLU 2334 HB2 0.00 -0.02 0.05 -0.04 2.09 2.09 2jswA12 GLU 2334 HB3 0.00 0.01 0.00 -0.04 1.99 1.96 2jswA12 GLU 2334 HG2 0.00 0.01 0.01 -0.04 2.34 2.33 2jswA12 GLU 2334 HG3 0.00 0.05 0.02 -0.04 2.34 2.37 2jswA12 ALA 2335 H 0.00 0.16 0.08 -0.55 8.40 8.10 2jswA12 ALA 2335 HA 0.01 0.11 0.40 -0.75 4.34 4.10 2jswA12 ALA 2335 HB3 0.01 0.02 0.16 -0.04 1.41 1.56 2jswA12 ASP 2336 H 0.00 0.57 0.29 -0.55 8.40 8.71 2jswA12 ASP 2336 HA 0.00 0.08 0.15 -0.75 4.63 4.12 2jswA12 ASP 2336 HB2 0.00 0.11 0.02 -0.04 2.71 2.80 2jswA12 ASP 2336 HB3 -0.00 -0.02 0.02 -0.04 2.70 2.65 2jswA12 GLU 2337 H 0.01 0.22 0.26 -0.55 8.60 8.54 2jswA12 GLU 2337 HA -0.01 0.22 0.88 -0.75 4.29 4.63 2jswA12 GLU 2337 HB2 0.00 0.06 0.10 -0.04 2.09 2.21 2jswA12 GLU 2337 HB3 0.00 -0.02 0.09 -0.04 1.99 2.02 2jswA12 GLU 2337 HG2 -0.01 0.08 0.01 -0.04 2.34 2.39 2jswA12 GLU 2337 HG3 -0.00 -0.05 -0.42 -0.04 2.34 1.82 2jswA12 SER 2338 H -0.01 0.23 0.12 -0.55 8.46 8.26 2jswA12 SER 2338 HA 0.03 0.15 0.43 -0.75 4.49 4.34 2jswA12 SER 2338 HB2 -0.04 0.05 0.18 -0.04 3.95 4.10 2jswA12 SER 2338 HB3 -0.04 -0.03 0.23 -0.04 3.93 4.05 2jswA12 LEU 2339 H 0.03 0.34 -1.01 -0.55 8.37 7.18 2jswA12 LEU 2339 HA 0.06 0.11 0.83 -0.75 4.35 4.60 2jswA12 LEU 2339 HB2 0.02 0.04 0.16 -0.04 1.64 1.82 2jswA12 LEU 2339 HB3 0.02 0.10 0.10 -0.04 1.64 1.83 2jswA12 LEU 2339 HG 0.01 -0.12 -0.09 -0.04 1.64 1.39 2jswA12 LEU 2339 HD13 0.01 0.01 0.06 -0.04 0.93 0.97 2jswA12 LEU 2339 HD23 0.02 0.03 -0.04 -0.04 0.89 0.86 2jswA12 ASN 2340 H 0.10 0.09 0.09 -0.55 8.53 8.27 2jswA12 ASN 2340 HA 0.03 0.10 0.45 -0.75 4.76 4.58 2jswA12 ASN 2340 HB2 0.03 0.33 0.08 -0.04 2.88 3.28 2jswA12 ASN 2340 HB3 0.05 -0.02 -0.29 -0.04 2.79 2.49 2jswA12 ASN 2340 HD21 0.01 0.09 0.10 -0.04 7.03 7.19 2jswA12 ASN 2340 HD22 0.01 0.00 0.02 -0.04 7.74 7.73 2jswA12 PHE 2341 H 0.19 0.24 0.01 -0.55 8.34 8.22 2jswA12 PHE 2341 HA 0.00 0.11 0.49 -0.75 4.62 4.47 2jswA12 PHE 2341 HB2 0.00 0.06 0.12 -0.04 3.15 3.29 2jswA12 PHE 2341 HB3 -0.00 0.14 0.22 -0.04 3.06 3.38 2jswA12 PHE 2341 HD2 0.00 0.03 -0.06 -0.04 7.28 7.21 2jswA12 PHE 2341 HE2 0.01 0.01 -0.40 -0.04 7.38 6.97 2jswA12 PHE 2341 HZ 0.02 -0.04 -0.07 -0.04 7.32 7.18 2jswA12 GLU 2342 H 0.11 0.08 -0.12 -0.55 8.60 8.12 2jswA12 GLU 2342 HA -0.26 0.09 0.31 -0.75 4.29 3.67 2jswA12 GLU 2342 HB2 0.01 -0.03 0.01 -0.04 2.09 2.04 2jswA12 GLU 2342 HB3 -0.02 0.07 0.01 -0.04 1.99 2.01 2jswA12 GLU 2342 HG2 0.06 0.29 0.10 -0.04 2.34 2.76 2jswA12 GLU 2342 HG3 0.15 -0.04 -0.02 -0.04 2.34 2.39 2jswA12 GLU 2343 H -0.04 0.09 -0.50 -0.55 8.60 7.61 2jswA12 GLU 2343 HA -0.05 0.12 0.46 -0.75 4.29 4.07 2jswA12 GLU 2343 HB2 -0.01 0.22 0.17 -0.04 2.09 2.43 2jswA12 GLU 2343 HB3 -0.02 0.00 0.04 -0.04 1.99 1.97 2jswA12 GLU 2343 HG2 -0.01 0.04 0.03 -0.04 2.34 2.36 2jswA12 GLU 2343 HG3 -0.00 -0.12 0.03 -0.04 2.34 2.21 2jswA12 GLN 2344 H -0.09 0.41 -0.11 -0.55 8.47 8.14 2jswA12 GLN 2344 HA -0.05 0.04 0.48 -0.75 4.36 4.07 2jswA12 GLN 2344 HB2 -0.14 0.13 0.15 -0.04 2.15 2.26 2jswA12 GLN 2344 HB3 -0.04 -0.02 0.05 -0.04 2.02 1.96 2jswA12 GLN 2344 HG2 -0.01 -0.01 0.02 -0.04 2.40 2.35 2jswA12 GLN 2344 HG3 -0.00 0.14 0.06 -0.04 2.39 2.55 2jswA12 GLN 2344 HE21 0.02 0.00 0.01 -0.04 6.97 6.96 2jswA12 GLN 2344 HE22 0.06 0.00 -0.01 -0.04 7.69 7.70 2jswA12 ILE 2345 H -0.31 0.49 -0.21 -0.55 8.25 7.67 2jswA12 ILE 2345 HA -0.17 0.02 0.51 -0.75 4.18 3.79 2jswA12 ILE 2345 HB -0.26 0.16 0.13 -0.04 1.89 1.88 2jswA12 ILE 2345 HG12 -1.10 0.36 0.00 -0.04 1.49 0.71 2jswA12 ILE 2345 HG13 -0.75 -0.05 -0.07 -0.04 1.21 0.29 2jswA12 ILE 2345 HG23 -0.11 -0.02 -0.05 -0.04 0.93 0.71 2jswA12 ILE 2345 HD13 -0.36 -0.03 -0.07 -0.04 0.88 0.38 2jswA12 LEU 2346 H -0.12 0.58 -0.14 -0.55 8.37 8.14 2jswA12 LEU 2346 HA -0.05 0.00 0.34 -0.75 4.35 3.89 2jswA12 LEU 2346 HB2 -0.05 0.06 0.12 -0.04 1.64 1.72 2jswA12 LEU 2346 HB3 -0.05 0.03 0.24 -0.04 1.64 1.82 2jswA12 LEU 2346 HG -0.03 -0.07 -0.22 -0.04 1.64 1.29 2jswA12 LEU 2346 HD13 -0.02 0.04 0.06 -0.04 0.93 0.97 2jswA12 LEU 2346 HD23 -0.02 0.02 -0.02 -0.04 0.89 0.82 2jswA12 GLU 2347 H -0.05 0.69 -0.05 -0.55 8.60 8.64 2jswA12 GLU 2347 HA -0.02 0.05 0.36 -0.75 4.29 3.93 2jswA12 GLU 2347 HB2 -0.02 -0.05 -0.01 -0.04 2.09 1.97 2jswA12 GLU 2347 HB3 -0.02 0.02 0.10 -0.04 1.99 2.05 2jswA12 GLU 2347 HG2 -0.04 0.34 0.28 -0.04 2.34 2.87 2jswA12 GLU 2347 HG3 -0.03 0.03 0.12 -0.04 2.34 2.41 2jswA12 ALA 2348 H -0.05 0.43 -0.28 -0.55 8.40 7.96 2jswA12 ALA 2348 HA -0.02 0.00 0.39 -0.75 4.34 3.96 2jswA12 ALA 2348 HB3 -0.03 0.07 0.16 -0.04 1.41 1.56 2jswA12 ALA 2349 H -0.04 0.73 -0.00 -0.55 8.40 8.54 2jswA12 ALA 2349 HA -0.02 -0.02 0.46 -0.75 4.34 4.00 2jswA12 ALA 2349 HB3 -0.03 0.02 0.09 -0.04 1.41 1.45 2jswA12 LYS 2350 H -0.02 0.73 -0.14 -0.55 8.42 8.43 2jswA12 LYS 2350 HA -0.01 -0.03 0.46 -0.75 4.32 3.99 2jswA12 LYS 2350 HB2 -0.02 0.11 0.10 -0.04 1.87 2.02 2jswA12 LYS 2350 HB3 -0.02 0.08 0.11 -0.04 1.79 1.92 2jswA12 LYS 2350 HG2 -0.01 -0.08 -0.11 -0.04 1.46 1.21 2jswA12 LYS 2350 HG3 -0.01 -0.03 0.01 -0.04 1.46 1.38 2jswA12 LYS 2350 HD2 -0.01 -0.02 -0.06 -0.04 1.69 1.55 2jswA12 LYS 2350 HD3 -0.01 -0.05 -0.07 -0.04 1.68 1.52 2jswA12 LYS 2350 HE2 -0.01 -0.02 -0.42 -0.04 2.99 2.50 2jswA12 LYS 2350 HE3 -0.01 0.04 -0.11 -0.04 2.99 2.87 2jswA12 SER 2351 H -0.02 0.55 -0.25 -0.55 8.46 8.20 2jswA12 SER 2351 HA -0.01 -0.01 0.47 -0.75 4.49 4.19 2jswA12 SER 2351 HB2 -0.01 0.14 0.16 -0.04 3.95 4.20 2jswA12 SER 2351 HB3 -0.01 0.14 0.23 -0.04 3.93 4.25 2jswA12 ILE 2352 H -0.01 0.63 -0.11 -0.55 8.25 8.20 2jswA12 ILE 2352 HA -0.01 -0.03 0.44 -0.75 4.18 3.84 2jswA12 ILE 2352 HB -0.01 0.19 0.21 -0.04 1.89 2.23 2jswA12 ILE 2352 HG12 -0.01 -0.04 0.08 -0.04 1.49 1.48 2jswA12 ILE 2352 HG13 -0.01 0.33 0.09 -0.04 1.21 1.58 2jswA12 ILE 2352 HG23 -0.01 -0.03 -0.08 -0.04 0.93 0.77 2jswA12 ILE 2352 HD13 -0.01 -0.03 -0.11 -0.04 0.88 0.69 2jswA12 ALA 2353 H -0.01 0.74 -0.05 -0.55 8.40 8.53 2jswA12 ALA 2353 HA -0.01 -0.04 0.30 -0.75 4.34 3.84 2jswA12 ALA 2353 HB3 -0.01 0.03 0.10 -0.04 1.41 1.49 2jswA12 ALA 2354 H -0.01 0.60 -0.31 -0.55 8.40 8.14 2jswA12 ALA 2354 HA -0.01 0.04 0.56 -0.75 4.34 4.18 2jswA12 ALA 2354 HB3 -0.01 0.02 0.11 -0.04 1.41 1.50 2jswA12 ALA 2355 H -0.01 0.76 0.05 -0.55 8.40 8.65 2jswA12 ALA 2355 HA -0.00 -0.02 0.35 -0.75 4.34 3.91 2jswA12 ALA 2355 HB3 -0.00 0.01 0.11 -0.04 1.41 1.49 2jswA12 THR 2356 H -0.01 0.81 -0.20 -0.55 8.28 8.34 2jswA12 THR 2356 HA -0.01 0.02 0.47 -0.75 4.39 4.12 2jswA12 THR 2356 HB -0.01 -0.06 -0.04 -0.04 4.32 4.17 2jswA12 THR 2356 HG23 -0.01 -0.03 0.00 -0.04 1.22 1.15 2jswA12 SER 2357 H -0.01 0.44 -0.16 -0.55 8.46 8.18 2jswA12 SER 2357 HA -0.01 0.01 0.56 -0.75 4.49 4.29 2jswA12 SER 2357 HB2 -0.01 0.03 0.11 -0.04 3.95 4.04 2jswA12 SER 2357 HB3 -0.01 0.13 0.16 -0.04 3.93 4.17 2jswA12 ALA 2358 H -0.01 0.57 -0.16 -0.55 8.40 8.26 2jswA12 ALA 2358 HA -0.00 0.01 0.43 -0.75 4.34 4.03 2jswA12 ALA 2358 HB3 -0.00 0.04 0.08 -0.04 1.41 1.50 2jswA12 LEU 2359 H -0.00 0.51 -0.33 -0.55 8.37 8.00 2jswA12 LEU 2359 HA 0.00 -0.02 0.44 -0.75 4.35 4.01 2jswA12 LEU 2359 HB2 -0.00 0.06 0.06 -0.04 1.64 1.72 2jswA12 LEU 2359 HB3 -0.01 0.20 0.26 -0.04 1.64 2.04 2jswA12 LEU 2359 HG -0.01 -0.04 -0.27 -0.04 1.64 1.29 2jswA12 LEU 2359 HD13 0.00 -0.06 0.05 -0.04 0.93 0.88 2jswA12 LEU 2359 HD23 -0.00 0.00 -0.05 -0.04 0.89 0.80 2jswA12 VAL 2360 H -0.01 0.70 -0.07 -0.55 8.24 8.31 2jswA12 VAL 2360 HA -0.02 0.00 0.43 -0.75 4.13 3.79 2jswA12 VAL 2360 HB -0.02 0.11 0.18 -0.04 2.12 2.35 2jswA12 VAL 2360 HG13 -0.03 -0.03 0.01 -0.04 0.97 0.88 2jswA12 VAL 2360 HG23 -0.02 0.10 0.05 -0.04 0.95 1.04 2jswA12 LYS 2361 H -0.01 0.54 -0.25 -0.55 8.42 8.15 2jswA12 LYS 2361 HA -0.01 0.03 0.50 -0.75 4.32 4.08 2jswA12 LYS 2361 HB2 -0.00 0.11 0.14 -0.04 1.87 2.07 2jswA12 LYS 2361 HB3 -0.00 -0.06 0.04 -0.04 1.79 1.73 2jswA12 LYS 2361 HG2 -0.01 -0.06 0.00 -0.04 1.46 1.35 2jswA12 LYS 2361 HG3 -0.01 0.30 0.09 -0.04 1.46 1.81 2jswA12 LYS 2361 HD2 -0.00 0.00 -0.06 -0.04 1.69 1.58 2jswA12 LYS 2361 HD3 -0.00 -0.04 -0.02 -0.04 1.68 1.58 2jswA12 LYS 2361 HE2 -0.01 -0.01 -0.05 -0.04 2.99 2.88 2jswA12 LYS 2361 HE3 -0.01 0.03 -0.11 -0.04 2.99 2.86 2jswA12 ALA 2362 H 0.00 0.72 -0.09 -0.55 8.40 8.49 2jswA12 ALA 2362 HA 0.01 -0.01 0.55 -0.75 4.34 4.13 2jswA12 ALA 2362 HB3 0.01 0.04 0.08 -0.04 1.41 1.49 2jswA12 ALA 2363 H 0.00 0.78 -0.14 -0.55 8.40 8.49 2jswA12 ALA 2363 HA 0.03 -0.01 0.49 -0.75 4.34 4.09 2jswA12 ALA 2363 HB3 -0.02 0.06 0.11 -0.04 1.41 1.52 2jswA12 SER 2364 H -0.01 0.68 -0.10 -0.55 8.46 8.49 2jswA12 SER 2364 HA -0.00 -0.00 0.44 -0.75 4.49 4.17 2jswA12 SER 2364 HB2 -0.02 0.05 0.14 -0.04 3.95 4.08 2jswA12 SER 2364 HB3 -0.00 0.14 0.15 -0.04 3.93 4.18 2jswA12 ALA 2365 H 0.02 0.52 -0.37 -0.55 8.40 8.02 2jswA12 ALA 2365 HA 0.02 0.04 0.47 -0.75 4.34 4.12 2jswA12 ALA 2365 HB3 0.02 0.05 0.15 -0.04 1.41 1.58 2jswA12 ALA 2366 H 0.04 0.81 -0.08 -0.55 8.40 8.63 2jswA12 ALA 2366 HA 0.05 -0.12 0.44 -0.75 4.34 3.96 2jswA12 ALA 2366 HB3 0.07 0.03 -0.01 -0.04 1.41 1.46 2jswA12 GLN 2367 H 0.10 0.80 -0.13 -0.55 8.47 8.69 2jswA12 GLN 2367 HA 0.43 0.02 0.40 -0.75 4.36 4.46 2jswA12 GLN 2367 HB2 0.10 0.06 0.07 -0.04 2.15 2.35 2jswA12 GLN 2367 HB3 0.07 0.07 0.21 -0.04 2.02 2.34 2jswA12 GLN 2367 HG2 0.47 -0.06 0.01 -0.04 2.40 2.78 2jswA12 GLN 2367 HG3 -0.14 -0.01 -0.05 -0.04 2.39 2.15 2jswA12 GLN 2367 HE21 0.26 -0.08 -0.02 -0.04 6.97 7.09 2jswA12 GLN 2367 HE22 0.10 0.04 -0.06 -0.04 7.69 7.72 2jswA12 ARG 2368 H 0.08 0.61 -0.25 -0.55 8.46 8.35 2jswA12 ARG 2368 HA 0.07 0.01 0.35 -0.75 4.34 4.02 2jswA12 ARG 2368 HB2 0.04 0.18 0.16 -0.04 1.90 2.24 2jswA12 ARG 2368 HB3 0.03 0.03 0.10 -0.04 1.80 1.92 2jswA12 ARG 2368 HG2 0.02 -0.03 -0.00 -0.04 1.67 1.62 2jswA12 ARG 2368 HG3 0.03 -0.05 0.04 -0.04 1.67 1.64 2jswA12 ARG 2368 HD2 0.01 0.02 -0.01 -0.04 3.22 3.20 2jswA12 ARG 2368 HD3 0.01 0.00 -0.02 -0.04 3.22 3.17 2jswA12 GLU 2369 H 0.05 0.63 -0.07 -0.55 8.60 8.65 2jswA12 GLU 2369 HA 0.02 0.09 0.54 -0.75 4.29 4.18 2jswA12 GLU 2369 HB2 0.01 -0.04 0.10 -0.04 2.09 2.12 2jswA12 GLU 2369 HB3 0.02 0.07 0.16 -0.04 1.99 2.20 2jswA12 GLU 2369 HG2 0.04 0.12 0.30 -0.04 2.34 2.76 2jswA12 GLU 2369 HG3 0.02 0.08 0.00 -0.04 2.34 2.40 2jswA12 LEU 2370 H 0.05 0.50 -0.21 -0.55 8.37 8.16 2jswA12 LEU 2370 HA -0.01 0.05 0.44 -0.75 4.35 4.07 2jswA12 LEU 2370 HB2 0.00 -0.04 0.12 -0.04 1.64 1.68 2jswA12 LEU 2370 HB3 0.03 0.14 0.11 -0.04 1.64 1.88 2jswA12 LEU 2370 HG -0.12 -0.11 -0.32 -0.04 1.64 1.06 2jswA12 LEU 2370 HD13 -0.07 -0.01 0.02 -0.04 0.93 0.83 2jswA12 LEU 2370 HD23 -0.24 0.05 -0.30 -0.04 0.89 0.36 2jswA12 VAL 2371 H 0.05 0.50 -0.16 -0.55 8.24 8.09 2jswA12 VAL 2371 HA -0.01 -0.02 0.43 -0.75 4.13 3.78 2jswA12 VAL 2371 HB 0.14 0.26 0.19 -0.04 2.12 2.67 2jswA12 VAL 2371 HG13 0.05 0.03 -0.03 -0.04 0.97 0.99 2jswA12 VAL 2371 HG23 0.08 0.03 0.07 -0.04 0.95 1.09 2jswA12 ALA 2372 H 0.02 0.42 -0.37 -0.55 8.40 7.92 2jswA12 ALA 2372 HA -0.00 0.04 0.50 -0.75 4.34 4.12 2jswA12 ALA 2372 HB3 0.00 0.06 0.13 -0.04 1.41 1.56 2jswA12 GLN 2373 H -0.01 0.23 -0.50 -0.55 8.47 7.65 2jswA12 GLN 2373 HA -0.01 0.08 0.51 -0.75 4.36 4.18 2jswA12 GLN 2373 HB2 -0.03 0.12 0.14 -0.04 2.15 2.34 2jswA12 GLN 2373 HB3 -0.02 -0.04 0.11 -0.04 2.02 2.03 2jswA12 GLN 2373 HG2 -0.01 -0.04 0.05 -0.04 2.40 2.35 2jswA12 GLN 2373 HG3 -0.01 0.39 0.18 -0.04 2.39 2.91 2jswA12 GLN 2373 HE21 -0.01 0.02 0.02 -0.04 6.97 6.96 2jswA12 GLN 2373 HE22 -0.02 -0.06 -0.00 -0.04 7.69 7.57 2jswA12 GLY 2374 H -0.02 0.24 -0.77 -0.55 8.43 7.34 2jswA12 GLY 2374 HA2 -0.02 0.10 0.21 -0.51 4.01 3.78 2jswA12 GLY 2374 HA3 -0.02 0.10 0.49 -0.51 4.01 4.07 2jswA12 LYS 2375 H -0.05 0.34 -0.19 -0.55 8.42 7.97 2jswA12 LYS 2375 HA -0.07 0.16 0.53 -0.75 4.32 4.19 2jswA12 LYS 2375 HB2 -0.05 0.01 -0.04 -0.04 1.87 1.75 2jswA12 LYS 2375 HB3 -0.09 0.00 -0.01 -0.04 1.79 1.65 2jswA12 LYS 2375 HG2 -0.10 0.04 0.15 -0.04 1.46 1.50 2jswA12 LYS 2375 HG3 -0.06 0.00 0.07 -0.04 1.46 1.43 2jswA12 LYS 2375 HD2 -0.05 -0.02 0.01 -0.04 1.69 1.60 2jswA12 LYS 2375 HD3 -0.07 -0.01 0.03 -0.04 1.68 1.58 2jswA12 LYS 2375 HE2 -0.07 0.07 0.04 -0.04 2.99 2.99 2jswA12 LYS 2375 HE3 -0.05 -0.01 0.03 -0.04 2.99 2.92 2jswA12 VAL 2376 H -0.08 0.11 -0.56 -0.55 8.24 7.15 2jswA12 VAL 2376 HA -0.19 0.11 0.48 -0.75 4.13 3.78 2jswA12 VAL 2376 HB -0.49 0.21 -0.09 -0.04 2.12 1.71 2jswA12 VAL 2376 HG13 -0.18 -0.01 -0.18 -0.04 0.97 0.55 2jswA12 VAL 2376 HG23 -0.76 -0.03 -0.07 -0.04 0.95 0.04 2jswA12 GLY 2377 H -0.06 0.23 -0.02 -0.55 8.43 8.03 2jswA12 GLY 2377 HA2 0.00 0.07 0.34 -0.51 4.01 3.91 2jswA12 GLY 2377 HA3 0.04 -0.10 0.25 -0.51 4.01 3.68 2jswA12 ALA 2378 H 0.06 0.07 0.21 -0.55 8.40 8.20 2jswA12 ALA 2378 HA 0.04 -0.14 0.33 -0.75 4.34 3.81 2jswA12 ALA 2378 HB3 0.01 0.10 0.11 -0.04 1.41 1.58 2jswA12 ILE 2379 H 0.03 -0.02 -0.49 -0.55 8.25 7.22 2jswA12 ILE 2379 HA 0.03 0.29 0.90 -0.75 4.18 4.65 2jswA12 ILE 2379 HB 0.02 -0.11 0.04 -0.04 1.89 1.80 2jswA12 ILE 2379 HG12 0.01 0.15 -0.49 -0.04 1.49 1.12 2jswA12 ILE 2379 HG13 0.01 0.03 -0.05 -0.04 1.21 1.15 2jswA12 ILE 2379 HG23 0.03 -0.06 -0.00 -0.04 0.93 0.86 2jswA12 ILE 2379 HD13 0.00 0.06 0.01 -0.04 0.88 0.91 2jswA12 PRO 2380 HA 0.05 0.07 0.49 -0.51 4.44 4.54 2jswA12 PRO 2380 HB2 0.06 0.03 -0.01 -0.04 2.28 2.32 2jswA12 PRO 2380 HB3 0.07 0.39 0.14 -0.04 2.02 2.58 2jswA12 PRO 2380 HG2 0.11 0.01 0.11 -0.04 2.03 2.22 2jswA12 PRO 2380 HG3 0.17 0.08 0.02 -0.04 2.03 2.26 2jswA12 PRO 2380 HD2 0.06 0.19 0.26 -0.04 3.68 4.15 2jswA12 PRO 2380 HD3 0.07 0.02 -0.02 -0.04 3.65 3.68 2jswA12 ALA 2381 H 0.04 0.10 -0.38 -0.55 8.40 7.63 2jswA12 ALA 2381 HA 0.03 0.16 0.53 -0.75 4.34 4.30 2jswA12 ALA 2381 HB3 0.02 0.03 0.06 -0.04 1.41 1.48 2jswA12 ASN 2382 H 0.03 0.36 -0.16 -0.55 8.53 8.21 2jswA12 ASN 2382 HA 0.02 0.22 0.87 -0.75 4.76 5.12 2jswA12 ASN 2382 HB2 0.01 -0.03 0.23 -0.04 2.88 3.05 2jswA12 ASN 2382 HB3 0.01 0.07 0.05 -0.04 2.79 2.88 2jswA12 ASN 2382 HD21 0.00 0.05 0.05 -0.04 7.03 7.09 2jswA12 ASN 2382 HD22 0.00 0.32 0.03 -0.04 7.74 8.05 2jswA12 ALA 2383 H 0.03 0.37 -0.58 -0.55 8.40 7.67 2jswA12 ALA 2383 HA 0.06 -0.10 0.32 -0.75 4.34 3.86 2jswA12 ALA 2383 HB3 0.04 0.05 0.11 -0.04 1.41 1.57 2jswA12 LEU 2384 H 0.03 0.20 -0.38 -0.55 8.37 7.67 2jswA12 LEU 2384 HA 0.03 0.11 0.45 -0.75 4.35 4.18 2jswA12 LEU 2384 HB2 0.02 0.08 0.11 -0.04 1.64 1.81 2jswA12 LEU 2384 HB3 0.02 -0.07 0.10 -0.04 1.64 1.65 2jswA12 LEU 2384 HG 0.02 0.01 -0.26 -0.04 1.64 1.37 2jswA12 LEU 2384 HD13 0.02 0.01 0.03 -0.04 0.93 0.95 2jswA12 LEU 2384 HD23 0.01 0.01 0.00 -0.04 0.89 0.87 2jswA12 ASP 2385 H 0.03 0.18 -0.10 -0.55 8.40 7.95 2jswA12 ASP 2385 HA 0.04 0.17 0.51 -0.75 4.63 4.60 2jswA12 ASP 2385 HB2 0.02 0.03 0.10 -0.04 2.71 2.82 2jswA12 ASP 2385 HB3 0.02 0.01 0.17 -0.04 2.70 2.86 2jswA12 ASP 2386 H 0.05 0.38 0.08 -0.55 8.40 8.36 2jswA12 ASP 2386 HA 0.12 0.15 0.36 -0.75 4.63 4.51 2jswA12 ASP 2386 HB2 0.05 0.17 0.11 -0.04 2.71 3.00 2jswA12 ASP 2386 HB3 0.11 -0.07 -0.05 -0.04 2.70 2.65 2jswA12 GLY 2387 H 0.08 0.33 -0.35 -0.55 8.43 7.94 2jswA12 GLY 2387 HA2 0.10 -0.08 0.59 -0.51 4.01 4.10 2jswA12 GLY 2387 HA3 0.06 0.31 0.37 -0.51 4.01 4.25 2jswA12 GLN 2388 H 0.09 0.33 -0.45 -0.55 8.47 7.89 2jswA12 GLN 2388 HA 0.05 0.04 0.49 -0.75 4.36 4.19 2jswA12 GLN 2388 HB2 0.09 0.25 0.17 -0.04 2.15 2.62 2jswA12 GLN 2388 HB3 0.06 -0.04 0.06 -0.04 2.02 2.07 2jswA12 GLN 2388 HG2 0.04 -0.07 0.08 -0.04 2.40 2.40 2jswA12 GLN 2388 HG3 0.05 0.32 0.22 -0.04 2.39 2.94 2jswA12 GLN 2388 HE21 0.03 -0.02 0.04 -0.04 6.97 6.97 2jswA12 GLN 2388 HE22 0.02 -0.04 0.02 -0.04 7.69 7.65 2jswA12 TRP 2389 H 0.26 0.21 -0.30 -0.55 7.97 7.60 2jswA12 TRP 2389 HA 0.00 0.11 0.52 -0.75 4.62 4.50 2jswA12 TRP 2389 HB2 0.00 0.04 0.09 -0.04 3.23 3.32 2jswA12 TRP 2389 HB3 0.00 0.14 0.16 -0.04 3.23 3.49 2jswA12 TRP 2389 HD1 -0.00 0.01 0.05 -0.04 7.22 7.23 2jswA12 TRP 2389 HE1 -0.00 0.49 0.18 -0.04 10.20 10.83 2jswA12 TRP 2389 HE3 -0.00 -0.00 -0.07 -0.04 7.59 7.47 2jswA12 TRP 2389 HZ2 -0.00 0.02 0.05 -0.04 7.44 7.47 2jswA12 TRP 2389 HZ3 -0.00 -0.03 -0.02 -0.04 7.13 7.04 2jswA12 TRP 2389 HH2 -0.00 -0.04 0.04 -0.04 7.19 7.15 2jswA12 SER 2390 H 0.22 0.49 -0.11 -0.55 8.46 8.50 2jswA12 SER 2390 HA -0.36 0.04 0.33 -0.75 4.49 3.74 2jswA12 SER 2390 HB2 0.04 0.06 0.17 -0.04 3.95 4.18 2jswA12 SER 2390 HB3 -0.02 0.11 -0.07 -0.04 3.93 3.92 2jswA12 GLN 2391 H -0.02 0.82 -0.03 -0.55 8.47 8.70 2jswA12 GLN 2391 HA -0.06 0.00 0.41 -0.75 4.36 3.96 2jswA12 GLN 2391 HB2 -0.01 0.10 0.12 -0.04 2.15 2.33 2jswA12 GLN 2391 HB3 -0.02 -0.03 0.03 -0.04 2.02 1.96 2jswA12 GLN 2391 HG2 -0.01 -0.05 0.03 -0.04 2.40 2.32 2jswA12 GLN 2391 HG3 0.00 0.07 0.11 -0.04 2.39 2.53 2jswA12 GLN 2391 HE21 0.02 -0.05 -0.00 -0.04 6.97 6.89 2jswA12 GLN 2391 HE22 0.01 0.01 -0.03 -0.04 7.69 7.64 2jswA12 GLY 2392 H -0.06 0.41 -0.40 -0.55 8.43 7.83 2jswA12 GLY 2392 HA2 -0.05 -0.00 0.47 -0.51 4.01 3.92 2jswA12 GLY 2392 HA3 -0.06 0.17 0.34 -0.51 4.01 3.95 2jswA12 LEU 2393 H -0.33 0.65 -0.20 -0.55 8.37 7.94 2jswA12 LEU 2393 HA -0.24 0.02 0.48 -0.75 4.35 3.86 2jswA12 LEU 2393 HB2 -0.91 0.11 0.08 -0.04 1.64 0.89 2jswA12 LEU 2393 HB3 -0.53 0.09 0.15 -0.04 1.64 1.31 2jswA12 LEU 2393 HG -0.27 -0.04 -0.12 -0.04 1.64 1.16 2jswA12 LEU 2393 HD13 -0.22 -0.01 -0.01 -0.04 0.93 0.64 2jswA12 LEU 2393 HD23 -0.62 -0.01 -0.08 -0.04 0.89 0.14 2jswA12 ILE 2394 H -0.19 0.61 -0.06 -0.55 8.25 8.06 2jswA12 ILE 2394 HA -0.10 0.01 0.44 -0.75 4.18 3.77 2jswA12 ILE 2394 HB -0.08 0.11 0.21 -0.04 1.89 2.09 2jswA12 ILE 2394 HG12 -0.09 -0.02 0.08 -0.04 1.49 1.43 2jswA12 ILE 2394 HG13 -0.13 0.33 0.12 -0.04 1.21 1.49 2jswA12 ILE 2394 HG23 -0.05 -0.02 -0.13 -0.04 0.93 0.70 2jswA12 ILE 2394 HD13 -0.05 -0.04 -0.18 -0.04 0.88 0.57 2jswA12 SER 2395 H -0.08 0.75 -0.09 -0.55 8.46 8.49 2jswA12 SER 2395 HA -0.04 0.00 0.40 -0.75 4.49 4.10 2jswA12 SER 2395 HB2 -0.04 0.04 0.13 -0.04 3.95 4.04 2jswA12 SER 2395 HB3 -0.04 0.11 0.14 -0.04 3.93 4.10 2jswA12 ALA 2396 H -0.08 0.54 -0.28 -0.55 8.40 8.04 2jswA12 ALA 2396 HA -0.04 0.01 0.47 -0.75 4.34 4.02 2jswA12 ALA 2396 HB3 -0.06 0.05 0.13 -0.04 1.41 1.48 2jswA12 ALA 2397 H -0.07 0.63 -0.17 -0.55 8.40 8.24 2jswA12 ALA 2397 HA -0.04 -0.02 0.46 -0.75 4.34 3.99 2jswA12 ALA 2397 HB3 -0.06 0.05 0.14 -0.04 1.41 1.49 2jswA12 ARG 2398 H -0.04 0.50 -0.20 -0.55 8.46 8.16 2jswA12 ARG 2398 HA -0.02 0.03 0.55 -0.75 4.34 4.14 2jswA12 ARG 2398 HB2 -0.03 0.12 0.18 -0.04 1.90 2.12 2jswA12 ARG 2398 HB3 -0.02 -0.03 -0.01 -0.04 1.80 1.70 2jswA12 ARG 2398 HG2 -0.02 -0.01 0.01 -0.04 1.67 1.60 2jswA12 ARG 2398 HG3 -0.02 -0.03 0.05 -0.04 1.67 1.63 2jswA12 ARG 2398 HD2 -0.03 -0.10 -0.07 -0.04 3.22 2.97 2jswA12 ARG 2398 HD3 -0.03 0.07 -0.03 -0.04 3.22 3.18 2jswA12 MET 2399 H -0.03 0.52 -0.20 -0.55 8.47 8.21 2jswA12 MET 2399 HA -0.02 0.02 0.50 -0.75 4.52 4.27 2jswA12 MET 2399 HB2 -0.02 0.04 0.13 -0.04 2.15 2.26 2jswA12 MET 2399 HB3 -0.02 0.17 0.26 -0.04 2.03 2.40 2jswA12 MET 2399 HG2 -0.01 -0.06 -0.23 -0.04 2.63 2.29 2jswA12 MET 2399 HG3 -0.01 -0.04 0.04 -0.04 2.56 2.51 2jswA12 MET 2399 HE3 -0.01 0.00 -0.02 -0.04 2.10 2.04 2jswA12 VAL 2400 H -0.02 0.80 0.01 -0.55 8.24 8.48 2jswA12 VAL 2400 HA -0.01 -0.02 0.40 -0.75 4.13 3.74 2jswA12 VAL 2400 HB -0.01 -0.08 0.07 -0.04 2.12 2.05 2jswA12 VAL 2400 HG13 -0.02 0.10 -0.05 -0.04 0.97 0.96 2jswA12 VAL 2400 HG23 -0.02 0.02 0.06 -0.04 0.95 0.97 2jswA12 ALA 2401 H -0.02 0.57 -0.25 -0.55 8.40 8.15 2jswA12 ALA 2401 HA -0.01 -0.02 0.35 -0.75 4.34 3.90 2jswA12 ALA 2401 HB3 -0.02 0.03 0.12 -0.04 1.41 1.50 2jswA12 ALA 2402 H -0.01 0.43 -0.41 -0.55 8.40 7.86 2jswA12 ALA 2402 HA -0.01 0.06 0.55 -0.75 4.34 4.18 2jswA12 ALA 2402 HB3 -0.01 0.03 0.13 -0.04 1.41 1.52 2jswA12 ALA 2403 H -0.01 0.69 0.05 -0.55 8.40 8.58 2jswA12 ALA 2403 HA -0.00 0.02 0.37 -0.75 4.34 3.98 2jswA12 ALA 2403 HB3 -0.01 0.01 0.09 -0.04 1.41 1.46 2jswA12 THR 2404 H -0.01 0.72 -0.04 -0.55 8.28 8.40 2jswA12 THR 2404 HA -0.01 -0.01 0.38 -0.75 4.39 4.00 2jswA12 THR 2404 HB -0.01 -0.05 -0.01 -0.04 4.32 4.21 2jswA12 THR 2404 HG23 -0.01 -0.01 0.04 -0.04 1.22 1.20 2jswA12 ASN 2405 H -0.01 0.32 -0.53 -0.55 8.53 7.77 2jswA12 ASN 2405 HA -0.01 -0.00 0.45 -0.75 4.76 4.45 2jswA12 ASN 2405 HB2 -0.01 0.30 0.23 -0.04 2.88 3.36 2jswA12 ASN 2405 HB3 -0.01 0.11 0.19 -0.04 2.79 3.04 2jswA12 ASN 2405 HD21 -0.01 0.03 -0.22 -0.04 7.03 6.79 2jswA12 ASN 2405 HD22 -0.01 -0.02 -0.04 -0.04 7.74 7.63 2jswA12 ASN 2406 H -0.01 0.58 -0.14 -0.55 8.53 8.41 2jswA12 ASN 2406 HA -0.00 0.02 0.42 -0.75 4.76 4.44 2jswA12 ASN 2406 HB2 -0.00 0.19 0.23 -0.04 2.88 3.25 2jswA12 ASN 2406 HB3 -0.00 -0.07 0.02 -0.04 2.79 2.70 2jswA12 ASN 2406 HD21 -0.00 -0.02 -0.02 -0.04 7.03 6.95 2jswA12 ASN 2406 HD22 -0.00 -0.03 -0.00 -0.04 7.74 7.67 2jswA12 LEU 2407 H -0.00 0.47 -0.25 -0.55 8.37 8.05 2jswA12 LEU 2407 HA 0.00 0.03 0.52 -0.75 4.35 4.15 2jswA12 LEU 2407 HB2 -0.00 0.04 0.06 -0.04 1.64 1.69 2jswA12 LEU 2407 HB3 -0.00 0.17 0.12 -0.04 1.64 1.89 2jswA12 LEU 2407 HG -0.01 -0.02 -0.07 -0.04 1.64 1.50 2jswA12 LEU 2407 HD13 0.00 -0.03 0.03 -0.04 0.93 0.90 2jswA12 LEU 2407 HD23 -0.00 0.00 0.01 -0.04 0.89 0.86 2jswA12 CYS 2408 H -0.01 0.46 -0.21 -0.55 8.50 8.19 2jswA12 CYS 2408 HA -0.01 0.01 0.49 -0.75 4.58 4.32 2jswA12 CYS 2408 HB2 -0.01 0.22 0.23 -0.04 2.97 3.38 2jswA12 CYS 2408 HB3 -0.01 -0.01 0.03 -0.04 2.97 2.94 2jswA12 GLU 2409 H -0.00 0.53 -0.21 -0.55 8.60 8.37 2jswA12 GLU 2409 HA -0.01 0.05 0.47 -0.75 4.29 4.05 2jswA12 GLU 2409 HB2 -0.01 0.15 0.15 -0.04 2.09 2.34 2jswA12 GLU 2409 HB3 -0.01 -0.06 0.07 -0.04 1.99 1.96 2jswA12 GLU 2409 HG2 -0.01 -0.04 0.02 -0.04 2.34 2.27 2jswA12 GLU 2409 HG3 -0.01 0.25 0.07 -0.04 2.34 2.61 2jswA12 ALA 2410 H -0.00 0.27 -0.42 -0.55 8.40 7.71 2jswA12 ALA 2410 HA 0.01 0.05 0.60 -0.75 4.34 4.25 2jswA12 ALA 2410 HB3 0.01 0.03 0.13 -0.04 1.41 1.54 2jswA12 ALA 2411 H -0.00 0.78 0.04 -0.55 8.40 8.67 2jswA12 ALA 2411 HA -0.02 -0.05 0.42 -0.75 4.34 3.95 2jswA12 ALA 2411 HB3 -0.02 0.04 0.07 -0.04 1.41 1.45 2jswA12 ASN 2412 H -0.00 0.48 -0.37 -0.55 8.53 8.09 2jswA12 ASN 2412 HA 0.00 0.05 0.36 -0.75 4.76 4.42 2jswA12 ASN 2412 HB2 -0.00 0.09 0.11 -0.04 2.88 3.03 2jswA12 ASN 2412 HB3 -0.00 0.22 0.11 -0.04 2.79 3.07 2jswA12 ASN 2412 HD21 -0.01 0.04 0.02 -0.04 7.03 7.04 2jswA12 ASN 2412 HD22 -0.01 -0.04 -0.05 -0.04 7.74 7.60 2jswA12 ALA 2413 H 0.01 0.35 -0.30 -0.55 8.40 7.92 2jswA12 ALA 2413 HA 0.06 0.04 0.38 -0.75 4.34 4.07 2jswA12 ALA 2413 HB3 0.02 0.02 0.13 -0.04 1.41 1.54 2jswA12 ALA 2414 H 0.04 0.45 -0.16 -0.55 8.40 8.18 2jswA12 ALA 2414 HA 0.11 0.12 0.13 -0.75 4.34 3.94 2jswA12 ALA 2414 HB3 0.02 -0.00 0.09 -0.04 1.41 1.48 2jswA12 VAL 2415 H 0.02 0.73 -0.11 -0.55 8.24 8.33 2jswA12 VAL 2415 HA 0.01 -0.11 0.39 -0.75 4.13 3.67 2jswA12 VAL 2415 HB 0.01 0.13 0.05 -0.04 2.12 2.27 2jswA12 VAL 2415 HG13 -0.00 -0.02 -0.16 -0.04 0.97 0.74 2jswA12 VAL 2415 HG23 -0.02 0.12 0.02 -0.04 0.95 1.02 2jswA12 GLN 2416 H 0.05 0.35 -0.34 -0.55 8.47 7.99 2jswA12 GLN 2416 HA 0.03 0.06 0.27 -0.75 4.36 3.97 2jswA12 GLN 2416 HB2 0.09 0.06 0.12 -0.04 2.15 2.38 2jswA12 GLN 2416 HB3 0.08 -0.07 0.14 -0.04 2.02 2.12 2jswA12 GLN 2416 HG2 0.03 0.08 0.07 -0.04 2.40 2.55 2jswA12 GLN 2416 HG3 0.03 -0.06 0.03 -0.04 2.39 2.35 2jswA12 GLN 2416 HE21 0.01 0.01 0.00 -0.04 6.97 6.96 2jswA12 GLN 2416 HE22 0.01 -0.00 -0.01 -0.04 7.69 7.65 2jswA12 GLY 2417 H 0.06 0.25 -0.64 -0.55 8.43 7.56 2jswA12 GLY 2417 HA2 -0.01 -0.03 0.24 -0.51 4.01 3.69 2jswA12 GLY 2417 HA3 -0.06 0.16 0.84 -0.51 4.01 4.44 2jswA12 HIS 2418 H 0.12 0.63 0.04 -0.55 8.41 8.66 2jswA12 HIS 2418 HA 0.02 0.15 0.87 -0.75 4.63 4.92 2jswA12 HIS 2418 HB2 0.02 0.02 0.05 -0.04 3.26 3.32 2jswA12 HIS 2418 HB3 0.02 -0.08 -0.03 -0.04 3.20 3.07 2jswA12 HIS 2418 HD2 0.01 0.05 -0.24 -0.04 6.97 6.75 2jswA12 HIS 2418 HE1 0.01 -0.04 -0.02 -0.04 7.75 7.66 2jswA12 ALA 2419 H 0.04 0.25 -0.07 -0.55 8.40 8.08 2jswA12 ALA 2419 HA 0.15 0.13 0.79 -0.75 4.34 4.66 2jswA12 ALA 2419 HB3 0.10 0.03 0.07 -0.04 1.41 1.56 2jswA12 SER 2420 H 0.10 0.32 -0.00 -0.55 8.46 8.33 2jswA12 SER 2420 HA 0.04 0.23 0.97 -0.75 4.49 4.97 2jswA12 SER 2420 HB2 0.05 -0.02 0.17 -0.04 3.95 4.11 2jswA12 SER 2420 HB3 0.04 -0.03 0.09 -0.04 3.93 4.00 2jswA12 GLN 2421 H 0.03 0.36 0.01 -0.55 8.47 8.32 2jswA12 GLN 2421 HA 0.11 0.06 0.26 -0.75 4.36 4.04 2jswA12 GLN 2421 HB2 0.02 0.03 0.05 -0.04 2.15 2.21 2jswA12 GLN 2421 HB3 0.09 0.03 -0.04 -0.04 2.02 2.06 2jswA12 GLN 2421 HG2 -0.08 0.14 -0.38 -0.04 2.40 2.04 2jswA12 GLN 2421 HG3 0.06 -0.08 -0.07 -0.04 2.39 2.26 2jswA12 GLN 2421 HE21 -0.17 -0.10 -0.05 -0.04 6.97 6.61 2jswA12 GLN 2421 HE22 -0.08 0.11 0.03 -0.04 7.69 7.70 2jswA12 GLU 2422 H 0.05 0.12 -0.17 -0.55 8.60 8.05 2jswA12 GLU 2422 HA 0.09 0.11 0.37 -0.75 4.29 4.11 2jswA12 GLU 2422 HB2 0.04 -0.05 0.08 -0.04 2.09 2.11 2jswA12 GLU 2422 HB3 0.05 0.06 -0.01 -0.04 1.99 2.05 2jswA12 GLU 2422 HG2 0.04 -0.04 0.07 -0.04 2.34 2.37 2jswA12 GLU 2422 HG3 0.04 0.06 0.03 -0.04 2.34 2.43 2jswA12 LYS 2423 H 0.05 0.14 -0.20 -0.55 8.42 7.85 2jswA12 LYS 2423 HA 0.03 0.09 0.38 -0.75 4.32 4.06 2jswA12 LYS 2423 HB2 0.02 0.03 0.08 -0.04 1.87 1.96 2jswA12 LYS 2423 HB3 0.03 -0.03 0.07 -0.04 1.79 1.82 2jswA12 LYS 2423 HG2 0.04 0.12 0.07 -0.04 1.46 1.66 2jswA12 LYS 2423 HG3 0.03 0.01 -0.28 -0.04 1.46 1.19 2jswA12 LYS 2423 HD2 0.02 0.00 -0.01 -0.04 1.69 1.66 2jswA12 LYS 2423 HD3 0.03 -0.03 0.01 -0.04 1.68 1.65 2jswA12 LYS 2423 HE2 0.01 0.02 -0.00 -0.04 2.99 2.98 2jswA12 LYS 2423 HE3 0.04 0.01 0.01 -0.04 2.99 3.01 2jswA12 LEU 2424 H 0.06 0.27 -0.37 -0.55 8.37 7.78 2jswA12 LEU 2424 HA 0.04 0.08 0.49 -0.75 4.35 4.21 2jswA12 LEU 2424 HB2 0.08 0.07 0.04 -0.04 1.64 1.79 2jswA12 LEU 2424 HB3 0.10 -0.00 0.14 -0.04 1.64 1.84 2jswA12 LEU 2424 HG 0.06 -0.01 -0.22 -0.04 1.64 1.44 2jswA12 LEU 2424 HD13 0.02 0.00 -0.03 -0.04 0.93 0.88 2jswA12 LEU 2424 HD23 0.12 -0.01 -0.06 -0.04 0.89 0.90 2jswA12 ILE 2425 H 0.08 0.79 0.07 -0.55 8.25 8.64 2jswA12 ILE 2425 HA 0.06 0.02 0.36 -0.75 4.18 3.86 2jswA12 ILE 2425 HB 0.08 0.08 0.15 -0.04 1.89 2.16 2jswA12 ILE 2425 HG12 0.12 -0.02 0.05 -0.04 1.49 1.61 2jswA12 ILE 2425 HG13 0.13 0.09 0.11 -0.04 1.21 1.50 2jswA12 ILE 2425 HG23 0.02 -0.01 -0.12 -0.04 0.93 0.78 2jswA12 ILE 2425 HD13 0.25 -0.01 -0.15 -0.04 0.88 0.93 2jswA12 SER 2426 H 0.04 0.44 -0.19 -0.55 8.46 8.21 2jswA12 SER 2426 HA 0.01 0.03 0.32 -0.75 4.49 4.10 2jswA12 SER 2426 HB2 0.02 0.04 0.07 -0.04 3.95 4.05 2jswA12 SER 2426 HB3 0.01 -0.03 0.04 -0.04 3.93 3.91 2jswA12 SER 2427 H 0.02 0.34 -0.41 -0.55 8.46 7.87 2jswA12 SER 2427 HA 0.01 0.02 0.37 -0.75 4.49 4.14 2jswA12 SER 2427 HB2 0.02 0.15 0.17 -0.04 3.95 4.24 2jswA12 SER 2427 HB3 0.02 0.08 0.17 -0.04 3.93 4.16 2jswA12 ALA 2428 H 0.02 0.58 -0.14 -0.55 8.40 8.31 2jswA12 ALA 2428 HA 0.01 0.00 0.35 -0.75 4.34 3.94 2jswA12 ALA 2428 HB3 0.01 0.03 0.11 -0.04 1.41 1.53 2jswA12 LYS 2429 H 0.01 0.50 -0.22 -0.55 8.42 8.16 2jswA12 LYS 2429 HA 0.00 0.02 0.43 -0.75 4.32 4.01 2jswA12 LYS 2429 HB2 0.00 0.15 0.11 -0.04 1.87 2.09 2jswA12 LYS 2429 HB3 -0.00 -0.04 0.01 -0.04 1.79 1.72 2jswA12 LYS 2429 HG2 -0.00 -0.06 -0.00 -0.04 1.46 1.36 2jswA12 LYS 2429 HG3 0.01 0.20 0.07 -0.04 1.46 1.70 2jswA12 LYS 2429 HD2 -0.01 0.01 -0.07 -0.04 1.69 1.58 2jswA12 LYS 2429 HD3 -0.01 -0.03 -0.02 -0.04 1.68 1.58 2jswA12 LYS 2429 HE2 -0.02 -0.02 -0.02 -0.04 2.99 2.89 2jswA12 LYS 2429 HE3 -0.01 -0.01 -0.04 -0.04 2.99 2.88 2jswA12 GLN 2430 H 0.00 0.40 -0.27 -0.55 8.47 8.06 2jswA12 GLN 2430 HA 0.00 0.03 0.51 -0.75 4.36 4.15 2jswA12 GLN 2430 HB2 0.00 0.17 0.21 -0.04 2.15 2.50 2jswA12 GLN 2430 HB3 0.00 -0.07 0.02 -0.04 2.02 1.94 2jswA12 GLN 2430 HG2 0.00 0.22 0.09 -0.04 2.40 2.68 2jswA12 GLN 2430 HG3 0.00 -0.03 0.01 -0.04 2.39 2.33 2jswA12 GLN 2430 HE21 -0.00 -0.01 -0.13 -0.04 6.97 6.79 2jswA12 GLN 2430 HE22 -0.00 -0.01 -0.04 -0.04 7.69 7.60 2jswA12 VAL 2431 H 0.00 0.61 -0.13 -0.55 8.24 8.18 2jswA12 VAL 2431 HA -0.00 -0.03 0.37 -0.75 4.13 3.71 2jswA12 VAL 2431 HB -0.00 0.17 0.17 -0.04 2.12 2.42 2jswA12 VAL 2431 HG13 -0.00 -0.03 -0.14 -0.04 0.97 0.76 2jswA12 VAL 2431 HG23 -0.00 0.09 -0.10 -0.04 0.95 0.90 2jswA12 ALA 2432 H 0.00 0.60 -0.12 -0.55 8.40 8.33 2jswA12 ALA 2432 HA -0.00 -0.02 0.29 -0.75 4.34 3.85 2jswA12 ALA 2432 HB3 0.00 0.04 0.12 -0.04 1.41 1.53 2jswA12 ALA 2433 H -0.00 0.47 -0.30 -0.55 8.40 8.03 2jswA12 ALA 2433 HA 0.00 0.01 0.32 -0.75 4.34 3.92 2jswA12 ALA 2433 HB3 -0.00 0.03 0.10 -0.04 1.41 1.50 2jswA12 SER 2434 H -0.00 0.68 -0.07 -0.55 8.46 8.52 2jswA12 SER 2434 HA -0.00 0.05 0.49 -0.75 4.49 4.28 2jswA12 SER 2434 HB2 -0.01 -0.07 -0.06 -0.04 3.95 3.77 2jswA12 SER 2434 HB3 -0.00 -0.00 0.08 -0.04 3.93 3.96 2jswA12 THR 2435 H -0.00 0.72 -0.04 -0.55 8.28 8.41 2jswA12 THR 2435 HA -0.01 0.02 0.46 -0.75 4.39 4.11 2jswA12 THR 2435 HB -0.00 0.06 0.12 -0.04 4.32 4.45 2jswA12 THR 2435 HG23 -0.01 -0.02 -0.00 -0.04 1.22 1.15 2jswA12 ALA 2436 H -0.00 0.67 -0.06 -0.55 8.40 8.46 2jswA12 ALA 2436 HA 0.00 -0.01 0.47 -0.75 4.34 4.05 2jswA12 ALA 2436 HB3 0.00 0.02 0.12 -0.04 1.41 1.51 2jswA12 GLN 2437 H -0.00 0.28 -0.76 -0.55 8.47 7.44 2jswA12 GLN 2437 HA 0.01 0.01 0.53 -0.75 4.36 4.16 2jswA12 GLN 2437 HB2 0.00 0.19 0.18 -0.04 2.15 2.48 2jswA12 GLN 2437 HB3 -0.00 0.28 0.16 -0.04 2.02 2.42 2jswA12 GLN 2437 HG2 0.00 0.00 0.03 -0.04 2.40 2.39 2jswA12 GLN 2437 HG3 0.00 -0.07 -0.04 -0.04 2.39 2.24 2jswA12 GLN 2437 HE21 0.02 -0.01 -0.00 -0.04 6.97 6.93 2jswA12 GLN 2437 HE22 0.02 0.01 -0.01 -0.04 7.69 7.68 2jswA12 LEU 2438 H -0.01 0.42 -0.29 -0.55 8.37 7.95 2jswA12 LEU 2438 HA -0.02 0.02 0.45 -0.75 4.35 4.04 2jswA12 LEU 2438 HB2 -0.02 0.03 0.14 -0.04 1.64 1.75 2jswA12 LEU 2438 HB3 -0.01 0.19 0.14 -0.04 1.64 1.92 2jswA12 LEU 2438 HG -0.03 -0.04 -0.11 -0.04 1.64 1.42 2jswA12 LEU 2438 HD13 -0.06 -0.02 -0.03 -0.04 0.93 0.78 2jswA12 LEU 2438 HD23 -0.03 -0.01 -0.04 -0.04 0.89 0.77 2jswA12 LEU 2439 H 0.01 0.29 -0.39 -0.55 8.37 7.73 2jswA12 LEU 2439 HA 0.03 0.02 0.48 -0.75 4.35 4.13 2jswA12 LEU 2439 HB2 0.02 0.32 0.16 -0.04 1.64 2.10 2jswA12 LEU 2439 HB3 0.02 -0.04 -0.04 -0.04 1.64 1.54 2jswA12 LEU 2439 HG 0.02 -0.01 -0.06 -0.04 1.64 1.54 2jswA12 LEU 2439 HD13 0.01 -0.04 0.10 -0.04 0.93 0.95 2jswA12 LEU 2439 HD23 0.01 -0.02 0.09 -0.04 0.89 0.92 2jswA12 VAL 2440 H 0.02 0.32 -0.17 -0.55 8.24 7.87 2jswA12 VAL 2440 HA 0.04 0.03 0.36 -0.75 4.13 3.81 2jswA12 VAL 2440 HB 0.03 0.14 0.17 -0.04 2.12 2.41 2jswA12 VAL 2440 HG13 0.04 -0.01 -0.06 -0.04 0.97 0.90 2jswA12 VAL 2440 HG23 0.02 0.06 0.08 -0.04 0.95 1.07 2jswA12 ALA 2441 H 0.04 0.61 -0.19 -0.55 8.40 8.31 2jswA12 ALA 2441 HA 0.12 0.02 0.37 -0.75 4.34 4.09 2jswA12 ALA 2441 HB3 -0.04 0.03 0.06 -0.04 1.41 1.42 2jswA12 CYS 2442 H 0.09 0.42 -0.27 -0.55 8.50 8.19 2jswA12 CYS 2442 HA 0.44 -0.01 0.46 -0.75 4.58 4.72 2jswA12 CYS 2442 HB2 0.10 0.17 0.19 -0.04 2.97 3.39 2jswA12 CYS 2442 HB3 0.16 -0.11 0.04 -0.04 2.97 3.02 2jswA12 LYS 2443 H 0.11 0.67 -0.12 -0.55 8.42 8.53 2jswA12 LYS 2443 HA 0.06 -0.02 0.20 -0.75 4.32 3.81 2jswA12 LYS 2443 HB2 0.05 0.00 0.04 -0.04 1.87 1.92 2jswA12 LYS 2443 HB3 0.06 0.11 0.05 -0.04 1.79 1.97 2jswA12 LYS 2443 HG2 0.02 0.05 -0.07 -0.04 1.46 1.42 2jswA12 LYS 2443 HG3 0.03 -0.06 -0.05 -0.04 1.46 1.33 2jswA12 LYS 2443 HD2 0.02 -0.05 -0.05 -0.04 1.69 1.57 2jswA12 LYS 2443 HD3 0.02 -0.03 -0.06 -0.04 1.68 1.57 2jswA12 LYS 2443 HE2 0.02 -0.05 -0.04 -0.04 2.99 2.88 2jswA12 LYS 2443 HE3 0.03 0.06 -0.05 -0.04 2.99 2.99 2jswA12 VAL 2444 H 0.17 0.35 -0.54 -0.55 8.24 7.67 2jswA12 VAL 2444 HA 0.04 -0.02 0.36 -0.75 4.13 3.75 2jswA12 VAL 2444 HB 0.32 0.12 0.12 -0.04 2.12 2.64 2jswA12 VAL 2444 HG13 0.05 -0.04 -0.06 -0.04 0.97 0.89 2jswA12 VAL 2444 HG23 0.14 0.05 0.07 -0.04 0.95 1.17 2jswA12 LYS 2445 H -0.02 0.28 -0.20 -0.55 8.42 7.93 2jswA12 LYS 2445 HA -0.30 0.17 0.91 -0.75 4.32 4.35 2jswA12 LYS 2445 HB2 -1.50 0.01 0.09 -0.04 1.87 0.43 2jswA12 LYS 2445 HB3 -0.83 -0.05 -0.06 -0.04 1.79 0.81 2jswA12 LYS 2445 HG2 -1.39 -0.13 0.01 -0.04 1.46 -0.09 2jswA12 LYS 2445 HG3 -0.56 0.07 0.09 -0.04 1.46 1.02 2jswA12 LYS 2445 HD2 -0.35 0.21 -0.31 -0.04 1.69 1.20 2jswA12 LYS 2445 HD3 -0.93 -0.01 -0.15 -0.04 1.68 0.55 2jswA12 LYS 2445 HE2 -0.11 0.02 -0.06 -0.04 2.99 2.80 2jswA12 LYS 2445 HE3 -0.25 -0.11 -0.01 -0.04 2.99 2.58 2jswA12 ALA 2446 H -0.01 0.47 0.12 -0.55 8.40 8.43 2jswA12 ALA 2446 HA -0.06 -0.01 0.39 -0.75 4.34 3.90 2jswA12 ALA 2446 HB3 0.07 -0.04 -0.05 -0.04 1.41 1.34 2jswA12 ASP 2447 H -0.01 0.01 0.18 -0.55 8.40 8.04 2jswA12 ASP 2447 HA -0.02 0.32 0.83 -0.75 4.63 5.01 2jswA12 ASP 2447 HB2 -0.01 -0.08 0.07 -0.04 2.71 2.65 2jswA12 ASP 2447 HB3 -0.01 -0.11 0.14 -0.04 2.70 2.68 2jswA12 GLN 2448 H -0.00 0.23 0.16 -0.55 8.47 8.31 2jswA12 GLN 2448 HA 0.01 0.16 0.49 -0.75 4.36 4.27 2jswA12 GLN 2448 HB2 -0.00 -0.01 0.09 -0.04 2.15 2.19 2jswA12 GLN 2448 HB3 0.00 0.03 0.06 -0.04 2.02 2.07 2jswA12 GLN 2448 HG2 0.00 0.02 0.02 -0.04 2.40 2.40 2jswA12 GLN 2448 HG3 0.01 0.03 0.00 -0.04 2.39 2.39 2jswA12 GLN 2448 HE21 0.01 -0.02 -0.05 -0.04 6.97 6.87 2jswA12 GLN 2448 HE22 0.00 0.12 -0.02 -0.04 7.69 7.75 2jswA12 ASP 2449 H -0.00 0.01 -0.27 -0.55 8.40 7.59 2jswA12 ASP 2449 HA 0.00 0.21 0.57 -0.75 4.63 4.66 2jswA12 ASP 2449 HB2 -0.01 -0.02 0.01 -0.04 2.71 2.66 2jswA12 ASP 2449 HB3 -0.00 0.03 0.09 -0.04 2.70 2.78 2jswA12 SER 2450 H 0.00 0.20 -0.54 -0.55 8.46 7.58 2jswA12 SER 2450 HA 0.00 0.11 0.57 -0.75 4.49 4.42 2jswA12 SER 2450 HB2 0.01 0.17 0.13 -0.04 3.95 4.23 2jswA12 SER 2450 HB3 0.02 -0.08 0.07 -0.04 3.93 3.90 2jswA12 GLU 2451 H 0.01 0.19 0.19 -0.55 8.60 8.44 2jswA12 GLU 2451 HA 0.01 0.16 0.25 -0.75 4.29 3.96 2jswA12 GLU 2451 HB2 0.00 0.09 0.16 -0.04 2.09 2.31 2jswA12 GLU 2451 HB3 0.01 -0.05 0.14 -0.04 1.99 2.05 2jswA12 GLU 2451 HG2 0.00 0.04 0.01 -0.04 2.34 2.35 2jswA12 GLU 2451 HG3 0.01 -0.03 -0.12 -0.04 2.34 2.16 2jswA12 ALA 2452 H 0.01 0.13 -0.04 -0.55 8.40 7.96 2jswA12 ALA 2452 HA 0.01 0.11 0.44 -0.75 4.34 4.15 2jswA12 ALA 2452 HB3 0.02 0.05 -0.01 -0.04 1.41 1.43 2jswA12 MET 2453 H 0.02 0.06 -0.55 -0.55 8.47 7.45 2jswA12 MET 2453 HA 0.03 0.05 0.39 -0.75 4.52 4.23 2jswA12 MET 2453 HB2 0.04 -0.10 0.04 -0.04 2.15 2.09 2jswA12 MET 2453 HB3 0.02 0.23 0.05 -0.04 2.03 2.29 2jswA12 MET 2453 HG2 0.03 0.23 -0.13 -0.04 2.63 2.72 2jswA12 MET 2453 HG3 0.02 -0.01 -0.18 -0.04 2.56 2.35 2jswA12 MET 2453 HE3 0.04 0.03 -0.09 -0.04 2.10 2.04 2jswA12 LYS 2454 H 0.01 0.38 -0.33 -0.55 8.42 7.93 2jswA12 LYS 2454 HA 0.01 0.08 0.48 -0.75 4.32 4.14 2jswA12 LYS 2454 HB2 0.01 0.12 0.13 -0.04 1.87 2.09 2jswA12 LYS 2454 HB3 0.01 -0.00 0.09 -0.04 1.79 1.85 2jswA12 LYS 2454 HG2 0.00 -0.01 0.00 -0.04 1.46 1.41 2jswA12 LYS 2454 HG3 0.01 -0.06 0.02 -0.04 1.46 1.38 2jswA12 LYS 2454 HD2 0.00 -0.04 0.02 -0.04 1.69 1.63 2jswA12 LYS 2454 HD3 0.01 -0.01 0.05 -0.04 1.68 1.69 2jswA12 LYS 2454 HE2 0.00 0.21 0.08 -0.04 2.99 3.24 2jswA12 LYS 2454 HE3 0.01 0.05 -0.09 -0.04 2.99 2.91 2jswA12 ARG 2455 H 0.01 0.35 -0.10 -0.55 8.46 8.16 2jswA12 ARG 2455 HA 0.01 0.05 0.41 -0.75 4.34 4.05 2jswA12 ARG 2455 HB2 0.01 0.04 0.13 -0.04 1.90 2.04 2jswA12 ARG 2455 HB3 0.01 0.08 0.07 -0.04 1.80 1.92 2jswA12 ARG 2455 HG2 0.01 -0.01 -0.04 -0.04 1.67 1.58 2jswA12 ARG 2455 HG3 0.00 -0.00 0.04 -0.04 1.67 1.67 2jswA12 ARG 2455 HD2 0.01 -0.00 -0.01 -0.04 3.22 3.17 2jswA12 ARG 2455 HD3 0.00 0.01 -0.01 -0.04 3.22 3.18 2jswA12 LEU 2456 H 0.02 0.56 -0.23 -0.55 8.37 8.17 2jswA12 LEU 2456 HA 0.01 -0.00 0.42 -0.75 4.35 4.02 2jswA12 LEU 2456 HB2 0.03 0.21 0.10 -0.04 1.64 1.93 2jswA12 LEU 2456 HB3 0.03 0.16 0.13 -0.04 1.64 1.91 2jswA12 LEU 2456 HG 0.02 -0.01 -0.11 -0.04 1.64 1.50 2jswA12 LEU 2456 HD13 0.05 0.01 -0.04 -0.04 0.93 0.91 2jswA12 LEU 2456 HD23 0.02 -0.01 -0.11 -0.04 0.89 0.75 2jswA12 GLN 2457 H 0.02 0.60 -0.25 -0.55 8.47 8.29 2jswA12 GLN 2457 HA 0.01 -0.01 0.42 -0.75 4.36 4.03 2jswA12 GLN 2457 HB2 0.01 0.06 0.14 -0.04 2.15 2.32 2jswA12 GLN 2457 HB3 0.01 0.21 0.21 -0.04 2.02 2.41 2jswA12 GLN 2457 HG2 0.01 -0.04 -0.22 -0.04 2.40 2.11 2jswA12 GLN 2457 HG3 0.01 -0.04 0.02 -0.04 2.39 2.34 2jswA12 GLN 2457 HE21 0.01 -0.03 -0.02 -0.04 6.97 6.89 2jswA12 GLN 2457 HE22 0.01 -0.00 -0.01 -0.04 7.69 7.64 2jswA12 ALA 2458 H 0.01 0.51 -0.11 -0.55 8.40 8.26 2jswA12 ALA 2458 HA 0.00 0.01 0.42 -0.75 4.34 4.02 2jswA12 ALA 2458 HB3 0.00 0.03 0.10 -0.04 1.41 1.51 2jswA12 ALA 2459 H 0.01 0.64 -0.25 -0.55 8.40 8.25 2jswA12 ALA 2459 HA 0.00 0.02 0.51 -0.75 4.34 4.12 2jswA12 ALA 2459 HB3 0.00 0.06 0.11 -0.04 1.41 1.54 2jswA12 GLY 2460 H 0.01 0.66 0.00 -0.55 8.43 8.55 2jswA12 GLY 2460 HA2 0.00 -0.01 0.46 -0.51 4.01 3.95 2jswA12 GLY 2460 HA3 0.01 0.09 0.34 -0.51 4.01 3.93 2jswA12 ASN 2461 H 0.00 0.64 -0.24 -0.55 8.53 8.38 2jswA12 ASN 2461 HA 0.00 -0.01 0.45 -0.75 4.76 4.45 2jswA12 ASN 2461 HB2 0.00 0.14 0.12 -0.04 2.88 3.10 2jswA12 ASN 2461 HB3 0.00 0.23 0.17 -0.04 2.79 3.15 2jswA12 ASN 2461 HD21 0.00 0.03 0.00 -0.04 7.03 7.02 2jswA12 ASN 2461 HD22 0.00 -0.02 -0.00 -0.04 7.74 7.68 2jswA12 ALA 2462 H 0.00 0.47 -0.31 -0.55 8.40 8.02 2jswA12 ALA 2462 HA 0.00 -0.01 0.41 -0.75 4.34 3.98 2jswA12 ALA 2462 HB3 -0.00 0.06 0.13 -0.04 1.41 1.56 2jswA12 VAL 2463 H -0.00 0.46 -0.20 -0.55 8.24 7.95 2jswA12 VAL 2463 HA -0.00 0.01 0.41 -0.75 4.13 3.80 2jswA12 VAL 2463 HB -0.00 0.10 0.13 -0.04 2.12 2.30 2jswA12 VAL 2463 HG13 -0.00 -0.03 -0.08 -0.04 0.97 0.82 2jswA12 VAL 2463 HG23 -0.00 0.08 0.02 -0.04 0.95 1.01 2jswA12 LYS 2464 H 0.00 0.61 -0.08 -0.55 8.42 8.39 2jswA12 LYS 2464 HA 0.00 -0.02 0.44 -0.75 4.32 3.98 2jswA12 LYS 2464 HB2 0.00 0.06 0.15 -0.04 1.87 2.04 2jswA12 LYS 2464 HB3 0.00 0.13 0.18 -0.04 1.79 2.06 2jswA12 LYS 2464 HG2 0.00 0.02 -0.00 -0.04 1.46 1.44 2jswA12 LYS 2464 HG3 0.00 -0.03 -0.13 -0.04 1.46 1.27 2jswA12 LYS 2464 HD2 0.00 -0.08 0.09 -0.04 1.69 1.66 2jswA12 LYS 2464 HD3 0.00 0.03 -0.02 -0.04 1.68 1.65 2jswA12 LYS 2464 HE2 -0.00 -0.00 -0.02 -0.04 2.99 2.93 2jswA12 LYS 2464 HE3 0.00 0.03 -0.03 -0.04 2.99 2.95 2jswA12 ARG 2465 H 0.00 0.61 -0.16 -0.55 8.46 8.36 2jswA12 ARG 2465 HA 0.00 -0.01 0.39 -0.75 4.34 3.97 2jswA12 ARG 2465 HB2 0.00 -0.01 0.10 -0.04 1.90 1.95 2jswA12 ARG 2465 HB3 0.00 0.12 0.20 -0.04 1.80 2.08 2jswA12 ARG 2465 HG2 0.00 0.03 -0.24 -0.04 1.67 1.42 2jswA12 ARG 2465 HG3 0.00 -0.08 -0.03 -0.04 1.67 1.52 2jswA12 ARG 2465 HD2 0.00 0.03 -0.03 -0.04 3.22 3.18 2jswA12 ARG 2465 HD3 0.00 -0.01 -0.04 -0.04 3.22 3.13 2jswA12 ALA 2466 H -0.00 0.78 -0.07 -0.55 8.40 8.56 2jswA12 ALA 2466 HA -0.00 -0.01 0.47 -0.75 4.34 4.05 2jswA12 ALA 2466 HB3 -0.01 0.04 0.14 -0.04 1.41 1.54 2jswA12 SER 2467 H -0.00 0.55 -0.28 -0.55 8.46 8.18 2jswA12 SER 2467 HA 0.00 0.01 0.54 -0.75 4.49 4.29 2jswA12 SER 2467 HB2 0.00 0.09 0.21 -0.04 3.95 4.21 2jswA12 SER 2467 HB3 0.00 0.00 -0.03 -0.04 3.93 3.87 2jswA12 ASP 2468 H 0.00 0.80 0.05 -0.55 8.40 8.71 2jswA12 ASP 2468 HA 0.01 -0.01 0.45 -0.75 4.63 4.33 2jswA12 ASP 2468 HB2 0.00 0.13 0.23 -0.04 2.71 3.03 2jswA12 ASP 2468 HB3 0.01 -0.04 -0.01 -0.04 2.70 2.61 2jswA12 ASN 2469 H 0.01 0.74 -0.13 -0.55 8.53 8.60 2jswA12 ASN 2469 HA 0.02 -0.00 0.42 -0.75 4.76 4.44 2jswA12 ASN 2469 HB2 0.00 0.07 0.12 -0.04 2.88 3.03 2jswA12 ASN 2469 HB3 -0.00 0.09 0.12 -0.04 2.79 2.96 2jswA12 ASN 2469 HD21 -0.01 0.03 -0.01 -0.04 7.03 7.00 2jswA12 ASN 2469 HD22 -0.00 -0.03 -0.02 -0.04 7.74 7.65 2jswA12 LEU 2470 H 0.00 0.48 -0.32 -0.55 8.37 7.99 2jswA12 LEU 2470 HA -0.01 0.01 0.42 -0.75 4.35 4.01 2jswA12 LEU 2470 HB2 -0.01 0.39 0.30 -0.04 1.64 2.29 2jswA12 LEU 2470 HB3 0.01 -0.01 0.06 -0.04 1.64 1.66 2jswA12 LEU 2470 HG -0.05 0.00 0.12 -0.04 1.64 1.68 2jswA12 LEU 2470 HD13 -0.02 0.00 -0.07 -0.04 0.93 0.80 2jswA12 LEU 2470 HD23 -0.03 -0.03 -0.01 -0.04 0.89 0.79 2jswA12 VAL 2471 H 0.02 0.75 -0.10 -0.55 8.24 8.36 2jswA12 VAL 2471 HA 0.07 -0.04 0.46 -0.75 4.13 3.87 2jswA12 VAL 2471 HB 0.02 0.16 0.20 -0.04 2.12 2.46 2jswA12 VAL 2471 HG13 0.02 -0.02 -0.13 -0.04 0.97 0.80 2jswA12 VAL 2471 HG23 0.02 0.04 0.04 -0.04 0.95 1.01 2jswA12 LYS 2472 H 0.04 0.72 -0.10 -0.55 8.42 8.52 2jswA12 LYS 2472 HA 0.07 -0.02 0.38 -0.75 4.32 4.00 2jswA12 LYS 2472 HB2 0.03 0.14 0.15 -0.04 1.87 2.15 2jswA12 LYS 2472 HB3 0.04 0.10 0.13 -0.04 1.79 2.03 2jswA12 LYS 2472 HG2 0.04 -0.03 0.04 -0.04 1.46 1.47 2jswA12 LYS 2472 HG3 0.03 -0.01 -0.00 -0.04 1.46 1.44 2jswA12 LYS 2472 HD2 0.05 0.03 -0.23 -0.04 1.69 1.51 2jswA12 LYS 2472 HD3 0.07 -0.08 -0.02 -0.04 1.68 1.61 2jswA12 LYS 2472 HE2 0.04 -0.01 -0.02 -0.04 2.99 2.96 2jswA12 LYS 2472 HE3 0.03 0.01 -0.03 -0.04 2.99 2.97 2jswA12 ALA 2473 H 0.07 0.67 -0.19 -0.55 8.40 8.40 2jswA12 ALA 2473 HA 0.15 -0.00 0.39 -0.75 4.34 4.12 2jswA12 ALA 2473 HB3 0.04 0.03 0.07 -0.04 1.41 1.51 2jswA12 ALA 2474 H 0.17 0.68 -0.13 -0.55 8.40 8.58 2jswA12 ALA 2474 HA 0.57 -0.02 0.36 -0.75 4.34 4.49 2jswA12 ALA 2474 HB3 0.18 0.02 0.10 -0.04 1.41 1.67 2jswA12 GLN 2475 H 0.17 0.61 -0.35 -0.55 8.47 8.35 2jswA12 GLN 2475 HA 0.37 -0.01 0.37 -0.75 4.36 4.33 2jswA12 GLN 2475 HB2 0.15 0.31 0.19 -0.04 2.15 2.76 2jswA12 GLN 2475 HB3 0.31 -0.13 0.01 -0.04 2.02 2.17 2jswA12 GLN 2475 HG2 0.25 -0.08 -0.00 -0.04 2.40 2.52 2jswA12 GLN 2475 HG3 0.13 0.32 -0.06 -0.04 2.39 2.74 2jswA12 GLN 2475 HE21 0.01 -0.01 -0.17 -0.04 6.97 6.76 2jswA12 GLN 2475 HE22 -0.02 -0.01 -0.05 -0.04 7.69 7.57 2jswA12 LYS 2476 H 0.10 0.51 -0.20 -0.55 8.42 8.28 2jswA12 LYS 2476 HA -0.01 -0.01 0.43 -0.75 4.32 3.97 2jswA12 LYS 2476 HB2 0.01 -0.05 0.14 -0.04 1.87 1.93 2jswA12 LYS 2476 HB3 0.06 0.05 0.14 -0.04 1.79 2.00 2jswA12 LYS 2476 HG2 0.13 0.47 0.15 -0.04 1.46 2.17 2jswA12 LYS 2476 HG3 -0.03 -0.05 -0.28 -0.04 1.46 1.06 2jswA12 LYS 2476 HD2 0.05 -0.04 -0.00 -0.04 1.69 1.66 2jswA12 LYS 2476 HD3 0.09 0.00 0.03 -0.04 1.68 1.76 2jswA12 LYS 2476 HE2 0.28 0.01 0.02 -0.04 2.99 3.26 2jswA12 LYS 2476 HE3 0.12 -0.05 -0.04 -0.04 2.99 2.98 2jswA12 ALA 2477 H -0.10 0.35 -0.55 -0.55 8.40 7.54 2jswA12 ALA 2477 HA -0.29 0.16 0.87 -0.75 4.34 4.32 2jswA12 ALA 2477 HB3 -0.90 -0.01 0.10 -0.04 1.41 0.56 2jswA12 ALA 2478 H -0.17 0.23 -0.33 -0.55 8.40 7.59 2jswA12 ALA 2478 HA -0.23 0.15 0.98 -0.75 4.34 4.49 2jswA12 ALA 2478 HB3 -0.34 -0.02 0.00 -0.04 1.41 1.01 2jswA12 ALA 2479 H -0.27 0.44 0.16 -0.55 8.40 8.19 2jswA12 ALA 2479 HA -0.15 -0.05 0.42 -0.75 4.34 3.81 2jswA12 ALA 2479 HB3 -0.15 0.07 0.05 -0.04 1.41 1.34 2jswA12 PHE 2480 H -0.02 0.15 0.06 -0.55 8.34 7.98 2jswA12 PHE 2480 HA -0.00 0.27 0.77 -0.75 4.62 4.90 2jswA12 PHE 2480 HB2 0.00 -0.03 0.07 -0.04 3.15 3.15 2jswA12 PHE 2480 HB3 0.00 0.01 0.16 -0.04 3.06 3.19 2jswA12 PHE 2480 HD2 0.00 0.00 -0.01 -0.04 7.28 7.23 2jswA12 PHE 2480 HE2 0.01 -0.02 -0.06 -0.04 7.38 7.26 2jswA12 PHE 2480 HZ 0.01 -0.05 -0.10 -0.04 7.32 7.14 2jswA12 GLU 2481 H 0.01 0.09 -0.27 -0.55 8.60 7.88 2jswA12 GLU 2481 HA 0.05 0.09 0.63 -0.75 4.29 4.31 2jswA12 GLU 2481 HB2 0.02 -0.02 0.06 -0.04 2.09 2.11 2jswA12 GLU 2481 HB3 -0.00 0.03 0.09 -0.04 1.99 2.07 2jswA12 GLU 2481 HG2 0.01 0.03 -0.23 -0.04 2.34 2.10 2jswA12 GLU 2481 HG3 0.02 -0.00 0.01 -0.04 2.34 2.33 2jswA12 ASP 2482 H 0.04 0.18 0.09 -0.55 8.40 8.15 2jswA12 ASP 2482 HA 0.02 0.03 0.18 -0.75 4.63 4.11 2jswA12 ASP 2482 HB2 0.01 -0.04 -0.13 -0.04 2.71 2.51 2jswA12 ASP 2482 HB3 0.01 0.31 -0.03 -0.04 2.70 2.95