============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 36 rings ring int. center anis. iso. TYR 17 0.840 1.339 32.883 143.289 -99.200 -91.000 HIS 25 0.900 -7.855 37.527 147.511 -99.200 -91.000 HIS 35 0.900 -17.235 46.188 144.559 -99.200 -91.000 HIS 47 0.900 -35.774 34.003 141.377 -99.200 -91.000 HIS 49 0.900 -30.394 31.212 139.030 -99.200 -91.000 TYR 52 0.840 -20.497 26.436 145.430 -99.200 -91.000 HIS 54 0.900 -12.884 23.554 147.787 -99.200 -91.000 TRP 70 1.040 -25.456 30.014 147.815 -99.200 -91.000 TRP6 70 1.020 -23.217 30.845 147.951 -99.200 -91.000 HIS 81 0.900 -19.637 21.263 133.232 -99.200 -91.000 PHE 89 1.000 -31.397 25.271 140.034 -99.200 -91.000 PHE 90 1.000 -30.262 29.932 133.349 -99.200 -91.000 TYR 100 0.840 -16.902 36.098 132.288 -99.200 -91.000 TYR 136 0.840 -9.177 39.266 126.452 -99.200 -91.000 HIS 152 0.900 -5.427 34.189 120.666 -99.200 -91.000 TRP 180 1.040 -30.069 29.072 121.316 -99.200 -91.000 TRP6 180 1.020 -30.269 31.245 122.254 -99.200 -91.000 TYR 193 0.840 -19.099 20.128 127.204 -99.200 -91.000 TYR 194 0.840 -14.609 26.879 123.317 -99.200 -91.000 TYR 203 0.840 -26.480 34.894 111.402 -99.200 -91.000 HIS 213 0.900 -19.377 48.292 120.860 -99.200 -91.000 TYR 236 0.840 -15.493 51.604 144.044 -99.200 -91.000 PHE 257 1.000 -12.117 60.178 149.937 -99.200 -91.000 HIS 265 0.900 -21.677 65.131 150.315 -99.200 -91.000 HIS 285 0.900 -25.170 71.424 155.818 -99.200 -91.000 TYR 309 0.840 -0.874 62.090 160.570 -99.200 -91.000 PHE 326 1.000 -0.236 63.111 166.689 -99.200 -91.000 HIS 340 0.900 -10.125 69.967 172.326 -99.200 -91.000 PHE 344 1.000 0.123 62.704 172.055 -99.200 -91.000 HIS 360 0.900 -3.956 68.409 177.852 -99.200 -91.000 TYR 363 0.840 -9.463 53.737 178.843 -99.200 -91.000 TYR 384 0.840 -10.642 43.826 182.860 -99.200 -91.000 PHE 390 1.000 -17.306 46.809 188.570 -99.200 -91.000 PHE 399 1.000 -9.919 72.294 187.029 -99.200 -91.000 TRP 446 1.040 18.409 62.148 197.671 -99.200 -91.000 TRP6 446 1.020 18.432 60.979 195.648 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 2oi6A1 ASN 4 HA 0.00 -0.11 0.23 -0.75 4.76 4.13 2oi6A1 ASN 4 HB2 0.00 -0.01 0.03 -0.04 2.88 2.86 2oi6A1 ASN 4 HB3 -0.00 0.01 -0.03 -0.04 2.79 2.73 2oi6A1 ASN 4 HD21 0.01 -0.06 -0.05 -0.04 7.03 6.88 2oi6A1 ASN 4 HD22 0.00 0.04 -0.03 -0.04 7.74 7.71 2oi6A1 ALA 5 H 0.00 0.07 0.17 -0.55 8.40 8.10 2oi6A1 ALA 5 HA -0.00 0.14 0.60 -0.75 4.34 4.33 2oi6A1 ALA 5 HB3 0.02 0.01 0.14 -0.04 1.41 1.53 2oi6A1 MET 6 H -0.01 0.25 0.25 -0.55 8.47 8.41 2oi6A1 MET 6 HA -0.01 0.16 0.91 -0.75 4.52 4.83 2oi6A1 MET 6 HB2 -0.01 0.07 -0.29 -0.04 2.15 1.87 2oi6A1 MET 6 HB3 -0.02 0.07 -0.06 -0.04 2.03 1.98 2oi6A1 MET 6 HG2 -0.03 0.13 -0.13 -0.04 2.63 2.57 2oi6A1 MET 6 HG3 -0.02 -0.04 -0.18 -0.04 2.56 2.28 2oi6A1 MET 6 HE3 -0.02 0.01 -0.23 -0.04 2.10 1.82 2oi6A1 SER 7 H -0.01 0.75 0.40 -0.55 8.46 9.05 2oi6A1 SER 7 HA -0.00 0.05 1.12 -0.75 4.49 4.91 2oi6A1 SER 7 HB2 0.10 -0.01 0.10 -0.04 3.95 4.09 2oi6A1 SER 7 HB3 0.15 0.14 0.13 -0.04 3.93 4.30 2oi6A1 VAL 8 H -0.01 0.67 0.42 -0.55 8.24 8.77 2oi6A1 VAL 8 HA -0.02 0.23 1.18 -0.75 4.13 4.77 2oi6A1 VAL 8 HB -0.03 -0.02 0.12 -0.04 2.12 2.15 2oi6A1 VAL 8 HG13 0.00 -0.00 -0.24 -0.04 0.97 0.68 2oi6A1 VAL 8 HG23 -0.02 -0.01 -0.14 -0.04 0.95 0.74 2oi6A1 VAL 9 H 0.02 0.78 0.43 -0.55 8.24 8.91 2oi6A1 VAL 9 HA 0.18 0.20 1.05 -0.75 4.13 4.80 2oi6A1 VAL 9 HB 0.09 -0.05 0.09 -0.04 2.12 2.21 2oi6A1 VAL 9 HG13 0.20 -0.02 -0.21 -0.04 0.97 0.90 2oi6A1 VAL 9 HG23 0.17 0.01 -0.17 -0.04 0.95 0.92 2oi6A1 ILE 10 H 0.07 0.90 0.31 -0.55 8.25 8.98 2oi6A1 ILE 10 HA 0.09 0.27 0.92 -0.75 4.18 4.69 2oi6A1 ILE 10 HB -0.01 0.00 0.10 -0.04 1.89 1.94 2oi6A1 ILE 10 HG12 0.02 0.02 -0.29 -0.04 1.49 1.20 2oi6A1 ILE 10 HG13 -0.00 -0.00 -0.38 -0.04 1.21 0.79 2oi6A1 ILE 10 HG23 0.04 -0.03 -0.41 -0.04 0.93 0.49 2oi6A1 ILE 10 HD13 -0.04 0.01 -0.25 -0.04 0.88 0.56 2oi6A1 LEU 11 H 0.16 0.65 0.33 -0.55 8.37 8.97 2oi6A1 LEU 11 HA 0.08 0.09 0.72 -0.75 4.35 4.48 2oi6A1 LEU 11 HB2 0.03 -0.04 0.22 -0.04 1.64 1.81 2oi6A1 LEU 11 HB3 0.03 -0.10 0.10 -0.04 1.64 1.63 2oi6A1 LEU 11 HG 0.19 0.18 0.06 -0.04 1.64 2.03 2oi6A1 LEU 11 HD13 0.15 -0.01 0.02 -0.04 0.93 1.05 2oi6A1 LEU 11 HD23 0.12 0.00 -0.19 -0.04 0.89 0.77 2oi6A1 ALA 12 H 0.08 0.61 0.34 -0.55 8.40 8.89 2oi6A1 ALA 12 HA 0.04 0.01 0.69 -0.75 4.34 4.32 2oi6A1 ALA 12 HB3 0.07 0.02 0.02 -0.04 1.41 1.48 2oi6A1 ALA 13 H 0.05 0.04 0.07 -0.55 8.40 8.01 2oi6A1 ALA 13 HA 0.11 0.08 0.85 -0.75 4.34 4.62 2oi6A1 ALA 13 HB3 0.06 0.04 -0.21 -0.04 1.41 1.26 2oi6A1 GLY 14 H 0.01 -0.01 -0.16 -0.55 8.43 7.72 2oi6A1 GLY 14 HA2 0.01 0.08 0.50 -0.51 4.01 4.08 2oi6A1 GLY 14 HA3 -0.02 0.03 0.24 -0.51 4.01 3.75 2oi6A1 LYS 15 H 0.00 0.13 0.18 -0.55 8.42 8.18 2oi6A1 LYS 15 HA 0.02 0.11 0.68 -0.75 4.32 4.38 2oi6A1 GLY 16 H -0.02 0.17 0.12 -0.55 8.43 8.16 2oi6A1 GLY 16 HA2 -0.06 0.17 0.68 -0.51 4.01 4.30 2oi6A1 GLY 16 HA3 -0.06 -0.01 0.41 -0.51 4.01 3.85 2oi6A1 THR 17 H -0.07 0.34 -0.20 -0.55 8.28 7.79 2oi6A1 THR 17 HA -0.15 0.08 0.43 -0.75 4.39 4.00 2oi6A1 THR 17 HB -0.10 0.01 0.13 -0.04 4.32 4.31 2oi6A1 THR 17 HG23 -0.14 0.02 -0.06 -0.04 1.22 1.00 2oi6A1 ARG 18 H -0.15 0.14 -0.01 -0.55 8.46 7.89 2oi6A1 ARG 18 HA -0.54 0.13 0.53 -0.75 4.34 3.71 2oi6A1 ARG 18 HB2 -0.07 0.07 0.11 -0.04 1.90 1.97 2oi6A1 ARG 18 HB3 -0.01 -0.06 0.20 -0.04 1.80 1.89 2oi6A1 ARG 18 HG2 0.02 0.01 0.05 -0.04 1.67 1.71 2oi6A1 ARG 18 HG3 -0.04 0.04 0.02 -0.04 1.67 1.65 2oi6A1 ARG 18 HD2 -0.02 0.04 0.01 -0.04 3.22 3.21 2oi6A1 ARG 18 HD3 -0.07 -0.10 0.05 -0.04 3.22 3.06 2oi6A1 MET 19 H -0.25 0.27 -0.65 -0.55 8.47 7.29 2oi6A1 MET 19 HA -0.05 0.00 0.78 -0.75 4.52 4.50 2oi6A1 MET 19 HB2 -0.14 0.14 0.09 -0.04 2.15 2.20 2oi6A1 MET 19 HB3 -0.22 -0.01 0.00 -0.04 2.03 1.76 2oi6A1 MET 19 HG2 -0.14 0.05 -0.17 -0.04 2.63 2.34 2oi6A1 MET 19 HG3 -0.23 -0.07 -0.01 -0.04 2.56 2.21 2oi6A1 MET 19 HE3 -0.63 0.02 -0.07 -0.04 2.10 1.38 2oi6A1 TYR 20 H -0.48 0.32 0.05 -0.55 8.29 7.63 2oi6A1 TYR 20 HA 0.01 0.03 0.34 -0.75 4.56 4.19 2oi6A1 TYR 20 HB2 0.01 0.13 0.09 -0.04 3.06 3.25 2oi6A1 TYR 20 HB3 0.01 -0.02 0.18 -0.04 2.98 3.11 2oi6A1 TYR 20 HD2 0.00 0.03 -0.16 -0.04 7.15 6.97 2oi6A1 TYR 20 HE2 -0.00 -0.01 0.01 -0.04 6.85 6.81 2oi6A1 SER 21 H 0.01 0.15 -0.01 -0.55 8.46 8.07 2oi6A1 SER 21 HA 0.11 0.23 0.95 -0.75 4.49 5.02 2oi6A1 SER 21 HB2 0.21 0.15 -0.26 -0.04 3.95 4.01 2oi6A1 SER 21 HB3 0.14 0.02 -0.06 -0.04 3.93 3.99 2oi6A1 ASP 22 H 0.05 0.20 0.13 -0.55 8.40 8.23 2oi6A1 ASP 22 HA 0.02 0.16 0.73 -0.75 4.63 4.78 2oi6A1 ASP 22 HB2 0.01 0.02 0.07 -0.04 2.71 2.77 2oi6A1 ASP 22 HB3 0.00 0.00 0.15 -0.04 2.70 2.81 2oi6A1 LEU 23 H 0.09 0.02 -0.17 -0.55 8.37 7.77 2oi6A1 LEU 23 HA 0.00 0.25 0.93 -0.75 4.35 4.78 2oi6A1 LEU 23 HB2 -0.06 0.01 -0.05 -0.04 1.64 1.50 2oi6A1 LEU 23 HB3 -0.09 -0.04 0.02 -0.04 1.64 1.49 2oi6A1 LEU 23 HG 0.00 0.11 -0.25 -0.04 1.64 1.47 2oi6A1 LEU 23 HD13 -0.04 0.01 -0.02 -0.04 0.93 0.84 2oi6A1 LEU 23 HD23 -0.40 0.01 -0.20 -0.04 0.89 0.27 2oi6A1 PRO 24 HA 0.04 -0.01 0.36 -0.51 4.44 4.32 2oi6A1 PRO 24 HB2 0.07 -0.04 0.02 -0.04 2.28 2.29 2oi6A1 PRO 24 HB3 0.06 0.07 0.07 -0.04 2.02 2.18 2oi6A1 PRO 24 HG2 0.01 0.07 0.15 -0.04 2.03 2.23 2oi6A1 PRO 24 HG3 -0.02 0.01 0.08 -0.04 2.03 2.06 2oi6A1 PRO 24 HD2 0.02 0.10 0.15 -0.04 3.68 3.91 2oi6A1 PRO 24 HD3 -0.01 0.25 0.22 -0.04 3.65 4.07 2oi6A1 LYS 25 H 0.03 0.09 0.20 -0.55 8.42 8.18 2oi6A1 LYS 25 HA -0.08 0.13 0.34 -0.75 4.32 3.96 2oi6A1 LYS 25 HB2 -0.06 -0.02 0.21 -0.04 1.87 1.96 2oi6A1 LYS 25 HB3 -0.01 -0.03 0.13 -0.04 1.79 1.85 2oi6A1 LYS 25 HG2 -0.04 0.04 -0.23 -0.04 1.46 1.19 2oi6A1 LYS 25 HG3 -0.16 -0.01 -0.06 -0.04 1.46 1.19 2oi6A1 LYS 25 HD2 -0.05 0.12 -0.05 -0.04 1.69 1.67 2oi6A1 LYS 25 HD3 -0.07 -0.11 0.03 -0.04 1.68 1.49 2oi6A1 LYS 25 HE2 -0.02 -0.06 -0.08 -0.04 2.99 2.79 2oi6A1 LYS 25 HE3 -0.01 -0.02 -0.04 -0.04 2.99 2.89 2oi6A1 VAL 26 H 0.06 0.10 -0.12 -0.55 8.24 7.73 2oi6A1 VAL 26 HA 0.06 0.13 0.35 -0.75 4.13 3.91 2oi6A1 VAL 26 HB 0.06 0.02 0.10 -0.04 2.12 2.25 2oi6A1 VAL 26 HG13 0.05 -0.01 -0.09 -0.04 0.97 0.88 2oi6A1 VAL 26 HG23 0.08 0.01 -0.10 -0.04 0.95 0.89 2oi6A1 LEU 27 H 0.13 0.49 -0.56 -0.55 8.37 7.88 2oi6A1 LEU 27 HA 0.06 0.03 0.69 -0.75 4.35 4.37 2oi6A1 LEU 27 HB2 0.06 0.18 -0.03 -0.04 1.64 1.80 2oi6A1 LEU 27 HB3 0.01 -0.01 0.02 -0.04 1.64 1.62 2oi6A1 LEU 27 HG 0.07 -0.09 -0.12 -0.04 1.64 1.45 2oi6A1 LEU 27 HD13 0.02 -0.00 -0.21 -0.04 0.93 0.70 2oi6A1 LEU 27 HD23 0.05 0.01 -0.05 -0.04 0.89 0.86 2oi6A1 HIS 28 H 0.27 0.49 -0.09 -0.55 8.41 8.53 2oi6A1 HIS 28 HA 0.01 0.01 0.46 -0.75 4.63 4.35 2oi6A1 HIS 28 HB2 0.01 0.13 0.15 -0.04 3.26 3.51 2oi6A1 HIS 28 HB3 0.01 0.01 0.01 -0.04 3.20 3.19 2oi6A1 HIS 28 HD2 0.01 0.15 -0.21 -0.04 6.97 6.88 2oi6A1 HIS 28 HE1 0.02 0.03 -0.03 -0.04 7.75 7.73 2oi6A1 THR 29 H 0.02 0.07 0.12 -0.55 8.28 7.94 2oi6A1 THR 29 HA 0.05 0.26 0.42 -0.75 4.39 4.37 2oi6A1 THR 29 HB 0.01 -0.11 -0.32 -0.04 4.32 3.85 2oi6A1 THR 29 HG23 -0.02 0.02 -0.19 -0.04 1.22 0.99 2oi6A1 LEU 30 H 0.08 0.93 0.22 -0.55 8.37 9.04 2oi6A1 LEU 30 HA -0.04 0.09 0.78 -0.75 4.35 4.43 2oi6A1 LEU 30 HB2 -0.07 0.01 -0.14 -0.04 1.64 1.40 2oi6A1 LEU 30 HB3 -0.21 0.07 0.06 -0.04 1.64 1.52 2oi6A1 LEU 30 HG -0.11 -0.03 -0.00 -0.04 1.64 1.45 2oi6A1 LEU 30 HD13 -0.19 -0.01 -0.14 -0.04 0.93 0.55 2oi6A1 LEU 30 HD23 -0.47 0.03 -0.19 -0.04 0.89 0.22 2oi6A1 ALA 31 H -0.06 0.15 0.10 -0.55 8.40 8.05 2oi6A1 ALA 31 HA -0.03 0.05 0.33 -0.75 4.34 3.93 2oi6A1 ALA 31 HB3 -0.24 0.08 0.16 -0.04 1.41 1.37 2oi6A1 GLY 32 H -0.01 0.02 -0.33 -0.55 8.43 7.56 2oi6A1 GLY 32 HA2 -0.02 -0.03 0.22 -0.51 4.01 3.67 2oi6A1 GLY 32 HA3 -0.02 0.15 0.42 -0.51 4.01 4.05 2oi6A1 LYS 33 H 0.01 0.40 -0.45 -0.55 8.42 7.82 2oi6A1 LYS 33 HA -0.06 0.14 0.89 -0.75 4.32 4.53 2oi6A1 LYS 33 HB2 -0.16 0.06 -0.19 -0.04 1.87 1.54 2oi6A1 LYS 33 HB3 -0.34 0.12 -0.01 -0.04 1.79 1.52 2oi6A1 LYS 33 HG2 -0.60 0.02 -0.19 -0.04 1.46 0.65 2oi6A1 LYS 33 HG3 -0.18 -0.10 0.02 -0.04 1.46 1.16 2oi6A1 LYS 33 HD2 -0.20 -0.04 -0.11 -0.04 1.69 1.30 2oi6A1 LYS 33 HD3 -0.17 0.03 -0.06 -0.04 1.68 1.44 2oi6A1 LYS 33 HE2 -0.49 0.05 -0.06 -0.04 2.99 2.45 2oi6A1 LYS 33 HE3 -0.61 -0.03 -0.13 -0.04 2.99 2.18 2oi6A1 ALA 34 H -0.03 0.16 0.09 -0.55 8.40 8.07 2oi6A1 ALA 34 HA 0.04 0.20 0.10 -0.75 4.34 3.92 2oi6A1 ALA 34 HB3 0.02 0.02 0.12 -0.04 1.41 1.52 2oi6A1 MET 35 H 0.09 0.60 0.13 -0.55 8.47 8.74 2oi6A1 MET 35 HA 0.17 0.02 0.41 -0.75 4.52 4.36 2oi6A1 MET 35 HB2 0.07 0.23 0.19 -0.04 2.15 2.60 2oi6A1 MET 35 HB3 0.06 0.01 0.20 -0.04 2.03 2.25 2oi6A1 MET 35 HG2 0.03 -0.03 -0.02 -0.04 2.63 2.57 2oi6A1 MET 35 HG3 0.00 -0.02 0.05 -0.04 2.56 2.54 2oi6A1 MET 35 HE3 0.02 0.05 -0.05 -0.04 2.10 2.08 2oi6A1 VAL 36 H 0.06 0.54 0.00 -0.55 8.24 8.29 2oi6A1 VAL 36 HA 0.05 0.13 0.45 -0.75 4.13 4.01 2oi6A1 VAL 36 HB 0.04 -0.02 0.11 -0.04 2.12 2.21 2oi6A1 VAL 36 HG13 0.02 0.02 -0.16 -0.04 0.97 0.81 2oi6A1 VAL 36 HG23 -0.01 -0.02 -0.02 -0.04 0.95 0.86 2oi6A1 GLN 37 H 0.02 0.21 -0.41 -0.55 8.47 7.75 2oi6A1 GLN 37 HA -0.03 -0.00 0.41 -0.75 4.36 3.98 2oi6A1 GLN 37 HB2 -0.03 -0.04 0.08 -0.04 2.15 2.11 2oi6A1 GLN 37 HB3 -0.10 0.19 0.05 -0.04 2.02 2.12 2oi6A1 GLN 37 HG2 -0.08 0.03 0.00 -0.04 2.40 2.31 2oi6A1 GLN 37 HG3 -0.11 0.01 -0.13 -0.04 2.39 2.12 2oi6A1 GLN 37 HE21 -0.04 -0.04 0.01 -0.04 6.97 6.86 2oi6A1 GLN 37 HE22 -0.05 -0.01 0.01 -0.04 7.69 7.61 2oi6A1 HIS 38 H 0.06 0.53 -0.17 -0.55 8.41 8.27 2oi6A1 HIS 38 HA -0.00 -0.00 0.44 -0.75 4.63 4.30 2oi6A1 HIS 38 HB2 -0.01 0.21 0.21 -0.04 3.26 3.64 2oi6A1 HIS 38 HB3 0.00 0.21 0.08 -0.04 3.20 3.46 2oi6A1 HIS 38 HD2 -0.06 0.05 -0.26 -0.04 6.97 6.65 2oi6A1 HIS 38 HE1 -0.45 -0.02 -0.03 -0.04 7.75 7.21 2oi6A1 VAL 39 H 0.08 0.30 -0.34 -0.55 8.24 7.73 2oi6A1 VAL 39 HA 0.05 0.10 0.41 -0.75 4.13 3.93 2oi6A1 VAL 39 HB 0.03 0.07 0.04 -0.04 2.12 2.22 2oi6A1 VAL 39 HG13 0.03 -0.02 -0.20 -0.04 0.97 0.74 2oi6A1 VAL 39 HG23 0.06 0.09 -0.07 -0.04 0.95 0.99 2oi6A1 ILE 40 H -0.00 0.52 -0.07 -0.55 8.25 8.14 2oi6A1 ILE 40 HA -0.04 0.01 0.38 -0.75 4.18 3.77 2oi6A1 ILE 40 HB -0.04 0.08 0.18 -0.04 1.89 2.07 2oi6A1 ILE 40 HG12 -0.10 -0.03 -0.07 -0.04 1.49 1.25 2oi6A1 ILE 40 HG13 -0.06 0.12 -0.01 -0.04 1.21 1.23 2oi6A1 ILE 40 HG23 -0.06 -0.02 -0.16 -0.04 0.93 0.65 2oi6A1 ILE 40 HD13 -0.11 -0.03 -0.12 -0.04 0.88 0.58 2oi6A1 ASP 41 H -0.02 0.74 -0.15 -0.55 8.40 8.43 2oi6A1 ASP 41 HA -0.02 -0.03 0.36 -0.75 4.63 4.19 2oi6A1 ASP 41 HB2 -0.00 0.16 0.16 -0.04 2.71 2.98 2oi6A1 ASP 41 HB3 -0.00 -0.05 0.01 -0.04 2.70 2.62 2oi6A1 ALA 42 H 0.02 0.54 -0.23 -0.55 8.40 8.19 2oi6A1 ALA 42 HA 0.02 -0.03 0.38 -0.75 4.34 3.96 2oi6A1 ALA 42 HB3 0.03 0.04 0.03 -0.04 1.41 1.47 2oi6A1 ALA 43 H -0.01 0.52 -0.27 -0.55 8.40 8.10 2oi6A1 ALA 43 HA -0.02 0.01 0.38 -0.75 4.34 3.95 2oi6A1 ALA 43 HB3 -0.03 0.02 0.05 -0.04 1.41 1.41 2oi6A1 ASN 44 H -0.03 0.60 -0.08 -0.55 8.53 8.48 2oi6A1 ASN 44 HA -0.04 0.08 0.46 -0.75 4.76 4.51 2oi6A1 ASN 44 HB2 -0.03 0.05 0.11 -0.04 2.88 2.97 2oi6A1 ASN 44 HB3 -0.03 -0.01 0.00 -0.04 2.79 2.71 2oi6A1 ASN 44 HD21 -0.05 -0.10 -0.10 -0.04 7.03 6.73 2oi6A1 ASN 44 HD22 -0.04 -0.02 -0.09 -0.04 7.74 7.55 2oi6A1 GLU 45 H -0.01 0.65 -0.14 -0.55 8.60 8.56 2oi6A1 GLU 45 HA -0.01 0.02 0.39 -0.75 4.29 3.94 2oi6A1 GLU 45 HB2 0.00 0.10 0.12 -0.04 2.09 2.27 2oi6A1 GLU 45 HB3 0.00 0.04 0.09 -0.04 1.99 2.09 2oi6A1 GLU 45 HG2 0.00 -0.02 -0.01 -0.04 2.34 2.27 2oi6A1 GLU 45 HG3 0.00 -0.02 0.06 -0.04 2.34 2.34 2oi6A1 LEU 46 H -0.01 0.31 -0.55 -0.55 8.37 7.57 2oi6A1 LEU 46 HA -0.01 0.03 0.56 -0.75 4.35 4.17 2oi6A1 LEU 46 HB2 -0.01 0.01 0.06 -0.04 1.64 1.65 2oi6A1 LEU 46 HB3 -0.02 0.08 0.04 -0.04 1.64 1.71 2oi6A1 LEU 46 HG -0.01 0.04 -0.12 -0.04 1.64 1.51 2oi6A1 LEU 46 HD13 -0.01 -0.01 -0.06 -0.04 0.93 0.81 2oi6A1 LEU 46 HD23 -0.01 -0.02 -0.15 -0.04 0.89 0.66 2oi6A1 GLY 47 H -0.03 0.25 -0.28 -0.55 8.43 7.82 2oi6A1 GLY 47 HA2 -0.03 0.03 0.23 -0.51 4.01 3.73 2oi6A1 GLY 47 HA3 -0.02 0.15 0.84 -0.51 4.01 4.47 2oi6A1 ALA 48 H -0.04 0.36 0.14 -0.55 8.40 8.32 2oi6A1 ALA 48 HA -0.05 0.17 0.39 -0.75 4.34 4.10 2oi6A1 ALA 48 HB3 -0.05 -0.03 -0.14 -0.04 1.41 1.15 2oi6A1 ALA 49 H -0.07 0.58 0.48 -0.55 8.40 8.84 2oi6A1 ALA 49 HA -0.20 0.09 0.61 -0.75 4.34 4.08 2oi6A1 ALA 49 HB3 -0.18 -0.04 0.14 -0.04 1.41 1.29 2oi6A1 HIS 50 H -0.07 0.09 0.21 -0.55 8.41 8.09 2oi6A1 HIS 50 HA -0.13 0.31 0.98 -0.75 4.63 5.03 2oi6A1 HIS 50 HB2 -0.13 -0.09 0.04 -0.04 3.26 3.04 2oi6A1 HIS 50 HB3 -0.33 0.05 -0.03 -0.04 3.20 2.84 2oi6A1 HIS 50 HD2 -0.05 0.04 -0.03 -0.04 6.97 6.89 2oi6A1 HIS 50 HE1 0.03 -0.03 -0.06 -0.04 7.75 7.65 2oi6A1 VAL 51 H -0.15 0.85 0.27 -0.55 8.24 8.66 2oi6A1 VAL 51 HA -0.13 0.25 1.08 -0.75 4.13 4.57 2oi6A1 VAL 51 HB -0.15 -0.02 0.01 -0.04 2.12 1.92 2oi6A1 VAL 51 HG13 -0.11 -0.03 -0.23 -0.04 0.97 0.56 2oi6A1 VAL 51 HG23 -0.08 0.01 -0.22 -0.04 0.95 0.61 2oi6A1 HIS 52 H -0.06 0.80 0.34 -0.55 8.41 8.95 2oi6A1 HIS 52 HA -0.10 0.26 0.88 -0.75 4.63 4.92 2oi6A1 HIS 52 HB2 0.11 -0.13 0.20 -0.04 3.26 3.40 2oi6A1 HIS 52 HB3 0.07 0.01 -0.02 -0.04 3.20 3.22 2oi6A1 HIS 52 HD2 0.10 0.00 -0.24 -0.04 6.97 6.80 2oi6A1 HIS 52 HE1 0.03 0.06 -0.10 -0.04 7.75 7.70 2oi6A1 LEU 53 H -0.15 0.70 0.25 -0.55 8.37 8.62 2oi6A1 LEU 53 HA -0.05 0.16 0.94 -0.75 4.35 4.64 2oi6A1 LEU 53 HB2 -0.51 0.03 -0.14 -0.04 1.64 0.98 2oi6A1 LEU 53 HB3 -0.61 -0.05 0.03 -0.04 1.64 0.96 2oi6A1 LEU 53 HG -0.21 0.00 -0.10 -0.04 1.64 1.29 2oi6A1 LEU 53 HD13 -0.71 -0.01 -0.15 -0.04 0.93 0.02 2oi6A1 LEU 53 HD23 0.00 -0.01 -0.26 -0.04 0.89 0.59 2oi6A1 VAL 54 H 0.08 0.61 0.26 -0.55 8.24 8.63 2oi6A1 VAL 54 HA 0.16 0.47 0.87 -0.75 4.13 4.88 2oi6A1 VAL 54 HB 0.09 -0.21 0.20 -0.04 2.12 2.15 2oi6A1 VAL 54 HG13 0.05 -0.02 -0.20 -0.04 0.97 0.76 2oi6A1 VAL 54 HG23 0.10 0.03 -0.21 -0.04 0.95 0.83 2oi6A1 TYR 55 H 0.21 0.66 0.34 -0.55 8.29 8.95 2oi6A1 TYR 55 HA 0.10 0.14 0.74 -0.75 4.56 4.78 2oi6A1 TYR 55 HB2 0.17 -0.01 0.03 -0.04 3.06 3.21 2oi6A1 TYR 55 HB3 0.20 0.03 -0.25 -0.04 2.98 2.92 2oi6A1 TYR 55 HD2 0.23 0.05 -0.19 -0.04 7.15 7.20 2oi6A1 TYR 55 HE2 0.20 -0.05 -0.25 -0.04 6.85 6.71 2oi6A1 GLY 56 H 0.19 0.09 0.24 -0.55 8.43 8.40 2oi6A1 GLY 56 HA2 -0.11 0.23 0.86 -0.51 4.01 4.47 2oi6A1 GLY 56 HA3 0.04 0.13 0.36 -0.51 4.01 4.02 2oi6A1 HIS 57 H 0.27 0.15 0.24 -0.55 8.41 8.53 2oi6A1 HIS 57 HA 0.16 0.12 0.49 -0.75 4.63 4.65 2oi6A1 HIS 57 HB2 0.05 0.16 -0.12 -0.04 3.26 3.31 2oi6A1 HIS 57 HB3 0.07 -0.01 -0.01 -0.04 3.20 3.21 2oi6A1 HIS 57 HD2 0.03 0.04 0.04 -0.04 6.97 7.03 2oi6A1 HIS 57 HE1 0.04 0.04 0.09 -0.04 7.75 7.87 2oi6A1 GLY 58 H -0.06 0.22 0.19 -0.55 8.43 8.23 2oi6A1 GLY 58 HA2 -0.15 0.07 0.37 -0.51 4.01 3.79 2oi6A1 GLY 58 HA3 -0.04 0.15 0.56 -0.51 4.01 4.17 2oi6A1 GLY 59 H 0.30 0.09 -0.21 -0.55 8.43 8.06 2oi6A1 GLY 59 HA2 -0.24 0.11 0.19 -0.51 4.01 3.55 2oi6A1 GLY 59 HA3 0.04 0.12 0.18 -0.51 4.01 3.84 2oi6A1 ASP 60 H 0.01 0.03 -0.18 -0.55 8.40 7.71 2oi6A1 ASP 60 HA -0.13 0.15 0.43 -0.75 4.63 4.32 2oi6A1 ASP 60 HB2 -0.02 0.02 0.08 -0.04 2.71 2.74 2oi6A1 ASP 60 HB3 -0.02 -0.08 0.06 -0.04 2.70 2.62 2oi6A1 LEU 61 H -0.04 0.02 -0.15 -0.55 8.37 7.66 2oi6A1 LEU 61 HA -0.04 0.10 0.47 -0.75 4.35 4.12 2oi6A1 LEU 61 HB2 -0.02 0.04 0.16 -0.04 1.64 1.78 2oi6A1 LEU 61 HB3 -0.01 0.02 0.04 -0.04 1.64 1.64 2oi6A1 LEU 61 HG -0.03 -0.10 0.07 -0.04 1.64 1.53 2oi6A1 LEU 61 HD13 -0.03 -0.01 0.11 -0.04 0.93 0.95 2oi6A1 LEU 61 HD23 -0.03 0.02 0.02 -0.04 0.89 0.86 2oi6A1 LEU 62 H -0.03 0.58 -0.12 -0.55 8.37 8.26 2oi6A1 LEU 62 HA 0.10 -0.01 0.42 -0.75 4.35 4.10 2oi6A1 LEU 62 HB2 -0.01 0.06 0.06 -0.04 1.64 1.71 2oi6A1 LEU 62 HB3 0.43 -0.02 -0.07 -0.04 1.64 1.94 2oi6A1 LEU 62 HG 0.07 0.17 -0.03 -0.04 1.64 1.81 2oi6A1 LEU 62 HD13 0.15 -0.02 -0.16 -0.04 0.93 0.86 2oi6A1 LEU 62 HD23 0.12 -0.02 -0.06 -0.04 0.89 0.88 2oi6A1 LYS 63 H -0.31 0.61 -0.07 -0.55 8.42 8.09 2oi6A1 LYS 63 HA -0.32 0.06 0.40 -0.75 4.32 3.70 2oi6A1 LYS 63 HB2 -0.39 0.06 0.16 -0.04 1.87 1.66 2oi6A1 LYS 63 HB3 -0.33 0.01 -0.04 -0.04 1.79 1.39 2oi6A1 LYS 63 HG2 -0.71 -0.03 -0.00 -0.04 1.46 0.67 2oi6A1 LYS 63 HG3 -1.54 0.02 0.03 -0.04 1.46 -0.08 2oi6A1 LYS 63 HD2 -2.32 -0.09 -0.03 -0.04 1.69 -0.79 2oi6A1 LYS 63 HD3 -0.77 0.47 0.05 -0.04 1.68 1.40 2oi6A1 LYS 63 HE2 -0.52 -0.13 -0.10 -0.04 2.99 2.20 2oi6A1 LYS 63 HE3 -0.46 -0.01 -0.09 -0.04 2.99 2.39 2oi6A1 GLN 64 H -0.08 0.31 -0.34 -0.55 8.47 7.81 2oi6A1 GLN 64 HA -0.04 0.05 0.49 -0.75 4.36 4.11 2oi6A1 GLN 64 HB2 -0.03 0.07 0.17 -0.04 2.15 2.32 2oi6A1 GLN 64 HB3 -0.02 -0.05 -0.02 -0.04 2.02 1.88 2oi6A1 GLN 64 HG2 -0.05 -0.02 0.02 -0.04 2.40 2.31 2oi6A1 GLN 64 HG3 -0.07 0.17 0.04 -0.04 2.39 2.49 2oi6A1 GLN 64 HE21 -0.03 -0.05 -0.08 -0.04 6.97 6.77 2oi6A1 GLN 64 HE22 -0.05 -0.02 -0.21 -0.04 7.69 7.37 2oi6A1 ALA 65 H 0.02 0.36 -0.14 -0.55 8.40 8.10 2oi6A1 ALA 65 HA 0.01 0.07 0.59 -0.75 4.34 4.27 2oi6A1 ALA 65 HB3 0.03 -0.04 0.09 -0.04 1.41 1.45 2oi6A1 LEU 66 H 0.16 0.67 0.04 -0.55 8.37 8.70 2oi6A1 LEU 66 HA 0.07 0.04 0.83 -0.75 4.35 4.53 2oi6A1 LEU 66 HB2 0.39 0.05 0.01 -0.04 1.64 2.04 2oi6A1 LEU 66 HB3 0.05 -0.10 -0.00 -0.04 1.64 1.54 2oi6A1 LEU 66 HG 0.17 0.17 0.05 -0.04 1.64 2.00 2oi6A1 LEU 66 HD13 0.01 -0.03 -0.12 -0.04 0.93 0.75 2oi6A1 LEU 66 HD23 0.03 -0.00 -0.23 -0.04 0.89 0.65 2oi6A1 LYS 67 H 0.05 0.02 0.15 -0.55 8.42 8.09 2oi6A1 LYS 67 HA 0.12 0.29 0.86 -0.75 4.32 4.84 2oi6A1 LYS 67 HB2 0.03 -0.05 -0.02 -0.04 1.87 1.79 2oi6A1 LYS 67 HB3 0.03 -0.04 0.11 -0.04 1.79 1.86 2oi6A1 LYS 67 HG2 0.04 0.07 -0.59 -0.04 1.46 0.94 2oi6A1 LYS 67 HG3 0.02 -0.05 -0.09 -0.04 1.46 1.29 2oi6A1 LYS 67 HD2 0.03 -0.11 0.03 -0.04 1.69 1.60 2oi6A1 LYS 67 HD3 0.05 0.29 0.03 -0.04 1.68 2.00 2oi6A1 LYS 67 HE2 0.00 -0.10 -0.02 -0.04 2.99 2.83 2oi6A1 LYS 67 HE3 -0.01 -0.07 -0.00 -0.04 2.99 2.86 2oi6A1 ASP 68 H 0.03 -0.01 0.03 -0.55 8.40 7.90 2oi6A1 ASP 68 HA 0.00 0.03 0.44 -0.75 4.63 4.35 2oi6A1 ASP 68 HB2 -0.05 0.00 0.04 -0.04 2.71 2.66 2oi6A1 ASP 68 HB3 -0.04 0.02 -0.02 -0.04 2.70 2.62 2oi6A1 ASP 69 H 0.00 0.11 0.23 -0.55 8.40 8.19 2oi6A1 ASP 69 HA 0.04 0.13 0.37 -0.75 4.63 4.41 2oi6A1 ASN 70 H -0.02 0.02 -0.24 -0.55 8.53 7.74 2oi6A1 ASN 70 HA 0.01 0.21 0.69 -0.75 4.76 4.92 2oi6A1 ASN 70 HB2 -0.08 0.13 0.28 -0.04 2.88 3.17 2oi6A1 ASN 70 HB3 -0.06 -0.00 0.08 -0.04 2.79 2.77 2oi6A1 ASN 70 HD21 -0.08 -0.06 -0.22 -0.04 7.03 6.63 2oi6A1 ASN 70 HD22 -0.13 0.31 -0.36 -0.04 7.74 7.53 2oi6A1 LEU 71 H -0.02 0.44 -0.55 -0.55 8.37 7.68 2oi6A1 LEU 71 HA -0.21 0.22 0.85 -0.75 4.35 4.45 2oi6A1 LEU 71 HB2 -0.05 0.16 0.04 -0.04 1.64 1.75 2oi6A1 LEU 71 HB3 -0.65 -0.08 -0.16 -0.04 1.64 0.71 2oi6A1 LEU 71 HG -0.13 -0.07 -0.09 -0.04 1.64 1.30 2oi6A1 LEU 71 HD13 -0.19 -0.02 -0.14 -0.04 0.93 0.54 2oi6A1 LEU 71 HD23 -0.32 -0.00 -0.11 -0.04 0.89 0.41 2oi6A1 ASN 72 H -0.26 0.82 0.34 -0.55 8.53 8.88 2oi6A1 ASN 72 HA -0.03 0.16 0.88 -0.75 4.76 5.02 2oi6A1 ASN 72 HB2 -0.17 0.04 -0.05 -0.04 2.88 2.66 2oi6A1 ASN 72 HB3 -0.14 -0.08 0.09 -0.04 2.79 2.62 2oi6A1 ASN 72 HD21 -1.79 0.03 -0.10 -0.04 7.03 5.12 2oi6A1 ASN 72 HD22 0.13 -0.05 -0.09 -0.04 7.74 7.69 2oi6A1 TRP 73 H 0.32 0.21 0.06 -0.55 7.97 8.01 2oi6A1 TRP 73 HA 0.07 0.10 0.64 -0.75 4.62 4.68 2oi6A1 TRP 73 HB2 0.04 0.01 0.11 -0.04 3.23 3.34 2oi6A1 TRP 73 HB3 0.14 -0.04 -0.05 -0.04 3.23 3.24 2oi6A1 TRP 73 HD1 -0.03 0.09 -0.01 -0.04 7.22 7.23 2oi6A1 TRP 73 HE1 -0.05 0.11 -0.09 -0.04 10.20 10.13 2oi6A1 TRP 73 HE3 -0.54 -0.02 -0.10 -0.04 7.59 6.89 2oi6A1 TRP 73 HZ2 -0.07 0.18 -0.11 -0.04 7.44 7.40 2oi6A1 TRP 73 HZ3 -0.35 -0.10 -0.15 -0.04 7.13 6.49 2oi6A1 TRP 73 HH2 -0.11 0.04 -0.44 -0.04 7.19 6.64 2oi6A1 VAL 74 H 0.30 0.75 0.36 -0.55 8.24 9.10 2oi6A1 VAL 74 HA 0.14 0.18 0.95 -0.75 4.13 4.65 2oi6A1 VAL 74 HB 0.12 -0.11 -0.13 -0.04 2.12 1.96 2oi6A1 VAL 74 HG13 0.11 0.02 -0.35 -0.04 0.97 0.70 2oi6A1 VAL 74 HG23 0.01 0.05 -0.25 -0.04 0.95 0.72 2oi6A1 LEU 75 H 0.07 0.20 0.13 -0.55 8.37 8.23 2oi6A1 LEU 75 HA -0.45 0.20 0.84 -0.75 4.35 4.19 2oi6A1 LEU 75 HB2 -0.13 0.00 0.02 -0.04 1.64 1.49 2oi6A1 LEU 75 HB3 -0.04 0.02 0.12 -0.04 1.64 1.70 2oi6A1 LEU 75 HG -0.15 -0.10 -0.24 -0.04 1.64 1.11 2oi6A1 LEU 75 HD13 -0.45 0.04 -0.07 -0.04 0.93 0.41 2oi6A1 LEU 75 HD23 -0.05 0.00 -0.02 -0.04 0.89 0.78 2oi6A1 GLN 76 H -0.21 0.74 0.22 -0.55 8.47 8.67 2oi6A1 GLN 76 HA -0.04 0.14 0.66 -0.75 4.36 4.37 2oi6A1 GLN 76 HB2 -0.02 0.04 -0.08 -0.04 2.15 2.05 2oi6A1 GLN 76 HB3 0.00 -0.06 -0.03 -0.04 2.02 1.90 2oi6A1 GLN 76 HG2 0.14 0.12 -0.25 -0.04 2.40 2.37 2oi6A1 GLN 76 HG3 0.02 0.06 -0.05 -0.04 2.39 2.37 2oi6A1 GLN 76 HE21 0.20 -0.12 -0.02 -0.04 6.97 7.00 2oi6A1 GLN 76 HE22 0.68 0.08 -0.07 -0.04 7.69 8.34 2oi6A1 ALA 77 H -0.02 0.18 -0.01 -0.55 8.40 8.01 2oi6A1 ALA 77 HA -0.05 0.12 0.47 -0.75 4.34 4.12 2oi6A1 ALA 77 HB3 -0.02 0.00 0.09 -0.04 1.41 1.45 2oi6A1 GLU 78 H 0.08 0.10 -0.10 -0.55 8.60 8.14 2oi6A1 GLU 78 HA 0.01 0.20 0.88 -0.75 4.29 4.63 2oi6A1 GLU 78 HB2 -0.04 -0.03 0.03 -0.04 2.09 2.00 2oi6A1 GLU 78 HB3 -0.04 0.04 -0.05 -0.04 1.99 1.91 2oi6A1 GLU 78 HG2 -0.01 0.07 -0.11 -0.04 2.34 2.25 2oi6A1 GLU 78 HG3 0.01 -0.10 -0.11 -0.04 2.34 2.10 2oi6A1 GLN 79 H 0.02 0.22 0.06 -0.55 8.47 8.21 2oi6A1 GLN 79 HA 0.10 0.09 0.59 -0.75 4.36 4.38 2oi6A1 GLN 79 HB2 0.03 0.04 0.21 -0.04 2.15 2.39 2oi6A1 GLN 79 HB3 0.04 -0.10 0.10 -0.04 2.02 2.02 2oi6A1 GLN 79 HG2 0.03 -0.06 0.00 -0.04 2.40 2.33 2oi6A1 GLN 79 HG3 0.05 -0.09 -0.18 -0.04 2.39 2.13 2oi6A1 GLN 79 HE21 0.03 0.35 -0.16 -0.04 6.97 7.14 2oi6A1 GLN 79 HE22 0.05 -0.15 -0.26 -0.04 7.69 7.29 2oi6A1 LEU 80 H -0.00 0.38 0.05 -0.55 8.37 8.26 2oi6A1 LEU 80 HA 0.00 0.28 0.78 -0.75 4.35 4.65 2oi6A1 LEU 80 HB2 -0.69 -0.00 0.09 -0.04 1.64 0.99 2oi6A1 LEU 80 HB3 0.05 0.03 0.21 -0.04 1.64 1.88 2oi6A1 LEU 80 HG -0.41 0.00 -0.23 -0.04 1.64 0.96 2oi6A1 LEU 80 HD13 -0.39 0.02 -0.01 -0.04 0.93 0.50 2oi6A1 LEU 80 HD23 -0.06 0.04 -0.14 -0.04 0.89 0.69 2oi6A1 GLY 81 H 0.12 0.08 -0.41 -0.55 8.43 7.67 2oi6A1 GLY 81 HA2 0.14 0.05 0.30 -0.51 4.01 3.98 2oi6A1 GLY 81 HA3 0.23 0.19 0.92 -0.51 4.01 4.84 2oi6A1 THR 82 H 0.13 0.16 0.18 -0.55 8.28 8.20 2oi6A1 THR 82 HA 0.10 0.07 0.44 -0.75 4.39 4.24 2oi6A1 THR 82 HB 0.14 0.12 0.07 -0.04 4.32 4.61 2oi6A1 THR 82 HG23 0.01 0.03 0.07 -0.04 1.22 1.29 2oi6A1 GLY 83 H 0.23 0.54 -0.05 -0.55 8.43 8.61 2oi6A1 GLY 83 HA2 0.17 0.07 0.23 -0.51 4.01 3.98 2oi6A1 GLY 83 HA3 0.23 0.05 -0.28 -0.51 4.01 3.50 2oi6A1 HIS 84 H 0.28 0.15 -0.33 -0.55 8.41 7.98 2oi6A1 HIS 84 HA -0.12 0.14 0.33 -0.75 4.63 4.21 2oi6A1 HIS 84 HB2 0.01 0.05 -0.04 -0.04 3.26 3.24 2oi6A1 HIS 84 HB3 0.07 0.03 -0.09 -0.04 3.20 3.17 2oi6A1 HIS 84 HD2 -0.36 0.06 -0.01 -0.04 6.97 6.61 2oi6A1 HIS 84 HE1 -0.03 -0.07 0.04 -0.04 7.75 7.64 2oi6A1 ALA 85 H 0.13 0.45 -0.14 -0.55 8.40 8.30 2oi6A1 ALA 85 HA -0.05 0.06 0.36 -0.75 4.34 3.96 2oi6A1 ALA 85 HB3 0.07 -0.00 0.04 -0.04 1.41 1.48 2oi6A1 MET 86 H 0.08 0.46 -0.24 -0.55 8.47 8.22 2oi6A1 MET 86 HA 0.13 0.00 0.34 -0.75 4.52 4.23 2oi6A1 MET 86 HB2 0.13 0.12 0.11 -0.04 2.15 2.46 2oi6A1 MET 86 HB3 0.19 0.02 -0.04 -0.04 2.03 2.16 2oi6A1 MET 86 HG2 0.15 0.01 0.03 -0.04 2.63 2.78 2oi6A1 MET 86 HG3 0.17 -0.04 -0.03 -0.04 2.56 2.62 2oi6A1 MET 86 HE3 0.22 0.02 -0.10 -0.04 2.10 2.19 2oi6A1 GLN 87 H -0.05 0.37 -0.32 -0.55 8.47 7.92 2oi6A1 GLN 87 HA -0.12 0.02 0.40 -0.75 4.36 3.91 2oi6A1 GLN 87 HB2 -0.22 0.12 0.12 -0.04 2.15 2.13 2oi6A1 GLN 87 HB3 -0.16 -0.01 -0.01 -0.04 2.02 1.80 2oi6A1 GLN 87 HG2 -0.05 -0.01 -0.06 -0.04 2.40 2.24 2oi6A1 GLN 87 HG3 -0.02 0.21 0.03 -0.04 2.39 2.57 2oi6A1 GLN 87 HE21 -0.08 -0.01 -0.06 -0.04 6.97 6.78 2oi6A1 GLN 87 HE22 -0.00 0.33 -0.05 -0.04 7.69 7.92 2oi6A1 GLN 88 H -0.17 0.35 -0.33 -0.55 8.47 7.78 2oi6A1 GLN 88 HA -0.14 0.05 0.48 -0.75 4.36 3.99 2oi6A1 GLN 88 HB2 -0.06 0.06 0.04 -0.04 2.15 2.14 2oi6A1 GLN 88 HB3 -0.06 0.07 0.08 -0.04 2.02 2.08 2oi6A1 GLN 88 HG2 -0.35 0.22 0.13 -0.04 2.40 2.37 2oi6A1 GLN 88 HG3 -0.19 -0.12 0.11 -0.04 2.39 2.15 2oi6A1 GLN 88 HE21 -0.43 -0.04 -0.04 -0.04 6.97 6.42 2oi6A1 GLN 88 HE22 -1.08 0.20 0.01 -0.04 7.69 6.78 2oi6A1 ALA 89 H -0.07 0.23 -0.29 -0.55 8.40 7.72 2oi6A1 ALA 89 HA 0.14 0.15 0.68 -0.75 4.34 4.56 2oi6A1 ALA 89 HB3 0.09 -0.02 -0.06 -0.04 1.41 1.39 2oi6A1 ALA 90 H -0.41 0.42 -0.14 -0.55 8.40 7.74 2oi6A1 ALA 90 HA -2.55 -0.05 0.30 -0.75 4.34 1.28 2oi6A1 ALA 90 HB3 -0.33 0.04 0.03 -0.04 1.41 1.10 2oi6A1 PRO 91 HA -0.31 0.03 0.33 -0.51 4.44 3.98 2oi6A1 PRO 91 HB2 -0.85 0.03 -0.06 -0.04 2.28 1.36 2oi6A1 PRO 91 HB3 -0.41 -0.03 0.04 -0.04 2.02 1.59 2oi6A1 PRO 91 HG2 -0.30 0.04 0.02 -0.04 2.03 1.75 2oi6A1 PRO 91 HG3 -0.27 -0.02 0.02 -0.04 2.03 1.73 2oi6A1 PRO 91 HD2 -0.35 0.19 -0.51 -0.04 3.68 2.98 2oi6A1 PRO 91 HD3 -0.32 0.25 -0.06 -0.04 3.65 3.48 2oi6A1 PHE 92 H -0.38 0.42 -0.43 -0.55 8.34 7.40 2oi6A1 PHE 92 HA -0.06 0.11 0.67 -0.75 4.62 4.58 2oi6A1 PHE 92 HB2 -0.32 0.10 -0.02 -0.04 3.15 2.86 2oi6A1 PHE 92 HB3 0.07 -0.08 0.07 -0.04 3.06 3.07 2oi6A1 PHE 92 HD2 -0.09 0.06 0.02 -0.04 7.28 7.23 2oi6A1 PHE 92 HE2 -0.01 0.02 -0.00 -0.04 7.38 7.34 2oi6A1 PHE 92 HZ 0.01 -0.04 -0.00 -0.04 7.32 7.24 2oi6A1 PHE 93 H -0.24 0.65 -0.23 -0.55 8.34 7.97 2oi6A1 PHE 93 HA 0.03 -0.03 0.46 -0.75 4.62 4.34 2oi6A1 PHE 93 HB2 -0.05 0.10 -0.00 -0.04 3.15 3.16 2oi6A1 PHE 93 HB3 -0.01 -0.07 -0.03 -0.04 3.06 2.91 2oi6A1 PHE 93 HD2 -0.12 0.00 -0.16 -0.04 7.28 6.96 2oi6A1 PHE 93 HE2 -0.12 -0.05 -0.19 -0.04 7.38 6.98 2oi6A1 PHE 93 HZ -0.00 -0.08 -0.17 -0.04 7.32 7.03 2oi6A1 ALA 94 H 0.17 0.09 0.12 -0.55 8.40 8.23 2oi6A1 ALA 94 HA 0.07 0.18 0.61 -0.75 4.34 4.44 2oi6A1 ALA 94 HB3 0.08 -0.00 0.04 -0.04 1.41 1.48 2oi6A1 ASP 95 H 0.02 0.22 0.12 -0.55 8.40 8.22 2oi6A1 ASP 95 HA -0.00 0.02 0.36 -0.75 4.63 4.25 2oi6A1 ASP 95 HB2 -0.00 0.01 0.11 -0.04 2.71 2.78 2oi6A1 ASP 95 HB3 -0.02 0.00 0.05 -0.04 2.70 2.70 2oi6A1 ASP 96 H 0.02 0.06 -0.30 -0.55 8.40 7.64 2oi6A1 ASP 96 HA -0.00 0.23 0.93 -0.75 4.63 5.03 2oi6A1 ASP 96 HB2 0.01 0.04 0.18 -0.04 2.71 2.90 2oi6A1 ASP 96 HB3 0.01 -0.01 -0.02 -0.04 2.70 2.64 2oi6A1 GLU 97 H 0.02 0.33 -0.25 -0.55 8.60 8.15 2oi6A1 GLU 97 HA 0.01 0.31 1.00 -0.75 4.29 4.87 2oi6A1 GLU 97 HB2 0.03 0.05 -0.20 -0.04 2.09 1.93 2oi6A1 GLU 97 HB3 0.05 -0.07 -0.15 -0.04 1.99 1.77 2oi6A1 GLU 97 HG2 0.06 0.08 0.08 -0.04 2.34 2.52 2oi6A1 GLU 97 HG3 0.01 0.08 -0.35 -0.04 2.34 2.04 2oi6A1 ASP 98 H -0.00 0.83 0.37 -0.55 8.40 9.04 2oi6A1 ASP 98 HA -0.02 0.01 0.60 -0.75 4.63 4.47 2oi6A1 ASP 98 HB2 -0.01 0.11 0.10 -0.04 2.71 2.87 2oi6A1 ASP 98 HB3 -0.01 -0.02 -0.10 -0.04 2.70 2.53 2oi6A1 ILE 99 H -0.06 0.65 0.31 -0.55 8.25 8.60 2oi6A1 ILE 99 HA -0.16 0.31 1.02 -0.75 4.18 4.60 2oi6A1 ILE 99 HB -0.26 0.03 0.11 -0.04 1.89 1.73 2oi6A1 ILE 99 HG12 -0.20 -0.01 -0.24 -0.04 1.49 1.00 2oi6A1 ILE 99 HG13 -0.76 -0.01 -0.06 -0.04 1.21 0.34 2oi6A1 ILE 99 HG23 -0.70 -0.02 -0.24 -0.04 0.93 -0.07 2oi6A1 ILE 99 HD13 -0.39 0.00 -0.06 -0.04 0.88 0.40 2oi6A1 LEU 100 H -0.07 0.63 0.38 -0.55 8.37 8.77 2oi6A1 LEU 100 HA -0.02 0.23 1.00 -0.75 4.35 4.80 2oi6A1 LEU 100 HB2 -0.02 0.02 -0.05 -0.04 1.64 1.55 2oi6A1 LEU 100 HB3 -0.03 -0.02 0.09 -0.04 1.64 1.65 2oi6A1 LEU 100 HG -0.02 -0.02 -0.41 -0.04 1.64 1.15 2oi6A1 LEU 100 HD13 -0.02 0.04 -0.12 -0.04 0.93 0.79 2oi6A1 LEU 100 HD23 -0.02 -0.01 -0.15 -0.04 0.89 0.68 2oi6A1 MET 101 H -0.00 0.68 0.42 -0.55 8.47 9.03 2oi6A1 MET 101 HA 0.04 0.23 1.01 -0.75 4.52 5.04 2oi6A1 MET 101 HB2 0.06 0.02 0.05 -0.04 2.15 2.24 2oi6A1 MET 101 HB3 0.04 -0.06 0.23 -0.04 2.03 2.20 2oi6A1 MET 101 HG2 0.15 0.02 -0.11 -0.04 2.63 2.65 2oi6A1 MET 101 HG3 0.13 -0.00 0.03 -0.04 2.56 2.67 2oi6A1 MET 101 HE3 0.20 -0.02 -0.04 -0.04 2.10 2.20 2oi6A1 LEU 102 H 0.07 0.69 0.46 -0.55 8.37 9.04 2oi6A1 LEU 102 HA -0.06 0.12 0.80 -0.75 4.35 4.46 2oi6A1 LEU 102 HB2 0.04 -0.01 -0.08 -0.04 1.64 1.55 2oi6A1 LEU 102 HB3 0.02 0.04 0.04 -0.04 1.64 1.70 2oi6A1 LEU 102 HG -0.00 -0.02 -0.42 -0.04 1.64 1.16 2oi6A1 LEU 102 HD13 -0.00 0.01 -0.14 -0.04 0.93 0.76 2oi6A1 LEU 102 HD23 -0.04 0.06 -0.07 -0.04 0.89 0.80 2oi6A1 TYR 103 H 0.06 0.23 0.16 -0.55 8.29 8.19 2oi6A1 TYR 103 HA 0.03 0.17 0.97 -0.75 4.56 4.98 2oi6A1 TYR 103 HB2 0.02 0.07 0.08 -0.04 3.06 3.19 2oi6A1 TYR 103 HB3 0.03 -0.14 0.04 -0.04 2.98 2.86 2oi6A1 TYR 103 HD2 0.03 0.04 -0.22 -0.04 7.15 6.96 2oi6A1 TYR 103 HE2 0.05 0.03 -0.04 -0.04 6.85 6.84 2oi6A1 GLY 104 H 0.11 0.70 0.25 -0.55 8.43 8.93 2oi6A1 GLY 104 HA2 0.07 0.14 0.41 -0.51 4.01 4.11 2oi6A1 GLY 104 HA3 0.06 0.01 0.28 -0.51 4.01 3.86 2oi6A1 ASP 105 H 0.11 0.04 -0.32 -0.55 8.40 7.68 2oi6A1 ASP 105 HA 0.05 0.24 0.80 -0.75 4.63 4.97 2oi6A1 ASP 105 HB2 0.03 0.08 0.25 -0.04 2.71 3.02 2oi6A1 ASP 105 HB3 0.02 -0.04 -0.03 -0.04 2.70 2.62 2oi6A1 VAL 106 H 0.08 0.35 -0.49 -0.55 8.24 7.63 2oi6A1 VAL 106 HA 0.04 0.38 0.71 -0.75 4.13 4.51 2oi6A1 VAL 106 HB 0.06 -0.02 0.14 -0.04 2.12 2.26 2oi6A1 VAL 106 HG13 -0.01 0.01 -0.10 -0.04 0.97 0.82 2oi6A1 VAL 106 HG23 0.16 -0.04 -0.29 -0.04 0.95 0.74 2oi6A1 PRO 107 HA 0.02 0.12 0.36 -0.51 4.44 4.44 2oi6A1 PRO 107 HB2 -0.30 0.04 0.02 -0.04 2.28 2.00 2oi6A1 PRO 107 HB3 -0.03 0.03 0.10 -0.04 2.02 2.09 2oi6A1 PRO 107 HG2 -0.08 0.04 -0.02 -0.04 2.03 1.92 2oi6A1 PRO 107 HG3 -0.06 -0.00 -0.03 -0.04 2.03 1.90 2oi6A1 PRO 107 HD2 -0.00 0.28 0.05 -0.04 3.68 3.97 2oi6A1 PRO 107 HD3 0.01 0.07 -0.48 -0.04 3.65 3.21 2oi6A1 LEU 108 H -0.01 0.16 -0.24 -0.55 8.37 7.73 2oi6A1 LEU 108 HA 0.02 0.24 0.61 -0.75 4.35 4.47 2oi6A1 LEU 108 HB2 0.01 0.19 -0.03 -0.04 1.64 1.77 2oi6A1 LEU 108 HB3 0.03 -0.09 0.02 -0.04 1.64 1.57 2oi6A1 LEU 108 HG -0.02 -0.01 -0.04 -0.04 1.64 1.53 2oi6A1 LEU 108 HD13 0.04 0.01 -0.02 -0.04 0.93 0.92 2oi6A1 LEU 108 HD23 -0.01 0.01 -0.24 -0.04 0.89 0.60 2oi6A1 ILE 109 H 0.01 0.21 -0.23 -0.55 8.25 7.68 2oi6A1 ILE 109 HA -0.00 -0.05 0.44 -0.75 4.18 3.82 2oi6A1 ILE 109 HB -0.01 0.10 0.15 -0.04 1.89 2.09 2oi6A1 ILE 109 HG12 -0.03 -0.03 -0.04 -0.04 1.49 1.35 2oi6A1 ILE 109 HG13 -0.01 0.01 -0.22 -0.04 1.21 0.95 2oi6A1 ILE 109 HG23 0.01 0.00 -0.03 -0.04 0.93 0.87 2oi6A1 ILE 109 HD13 -0.03 -0.05 -0.01 -0.04 0.88 0.76 2oi6A1 SER 110 H 0.00 -0.00 0.23 -0.55 8.46 8.15 2oi6A1 SER 110 HA 0.02 0.31 0.90 -0.75 4.49 4.97 2oi6A1 SER 110 HB2 0.01 -0.02 0.14 -0.04 3.95 4.03 2oi6A1 SER 110 HB3 0.01 0.15 0.14 -0.04 3.93 4.20 2oi6A1 VAL 111 H 0.02 0.26 0.17 -0.55 8.24 8.14 2oi6A1 VAL 111 HA 0.00 0.11 0.38 -0.75 4.13 3.87 2oi6A1 VAL 111 HB 0.01 -0.03 0.08 -0.04 2.12 2.14 2oi6A1 VAL 111 HG13 -0.00 0.04 -0.15 -0.04 0.97 0.82 2oi6A1 VAL 111 HG23 0.01 0.05 0.04 -0.04 0.95 1.02 2oi6A1 GLU 112 H 0.00 0.07 -0.22 -0.55 8.60 7.90 2oi6A1 GLU 112 HA -0.00 0.15 0.36 -0.75 4.29 4.05 2oi6A1 THR 113 H -0.00 0.09 -0.20 -0.55 8.28 7.62 2oi6A1 THR 113 HA -0.01 0.11 0.54 -0.75 4.39 4.27 2oi6A1 THR 113 HB -0.01 0.12 0.14 -0.04 4.32 4.53 2oi6A1 THR 113 HG23 -0.02 0.03 -0.20 -0.04 1.22 1.00 2oi6A1 LEU 114 H -0.01 0.43 -0.16 -0.55 8.37 8.09 2oi6A1 LEU 114 HA -0.02 0.01 0.33 -0.75 4.35 3.91 2oi6A1 LEU 114 HB2 -0.01 0.12 0.06 -0.04 1.64 1.76 2oi6A1 LEU 114 HB3 -0.01 0.01 -0.06 -0.04 1.64 1.53 2oi6A1 LEU 114 HG -0.01 0.07 -0.09 -0.04 1.64 1.57 2oi6A1 LEU 114 HD13 -0.01 0.00 -0.21 -0.04 0.93 0.67 2oi6A1 LEU 114 HD23 -0.03 -0.02 -0.12 -0.04 0.89 0.68 2oi6A1 GLN 115 H -0.01 0.55 -0.23 -0.55 8.47 8.24 2oi6A1 GLN 115 HA -0.01 0.08 0.44 -0.75 4.36 4.11 2oi6A1 GLN 115 HB2 -0.01 0.07 0.09 -0.04 2.15 2.26 2oi6A1 GLN 115 HB3 -0.01 0.05 0.11 -0.04 2.02 2.13 2oi6A1 GLN 115 HG2 -0.01 -0.02 -0.02 -0.04 2.40 2.31 2oi6A1 GLN 115 HG3 -0.01 -0.03 -0.17 -0.04 2.39 2.15 2oi6A1 GLN 115 HE21 -0.01 0.07 -0.01 -0.04 6.97 6.98 2oi6A1 GLN 115 HE22 -0.01 -0.06 -0.00 -0.04 7.69 7.58 2oi6A1 ARG 116 H -0.01 0.45 -0.13 -0.55 8.46 8.22 2oi6A1 ARG 116 HA -0.01 0.04 0.48 -0.75 4.34 4.09 2oi6A1 ARG 116 HB2 -0.02 0.08 0.13 -0.04 1.90 2.05 2oi6A1 ARG 116 HB3 -0.02 -0.04 -0.01 -0.04 1.80 1.69 2oi6A1 ARG 116 HG2 -0.01 -0.02 0.05 -0.04 1.67 1.65 2oi6A1 ARG 116 HG3 -0.01 0.23 0.12 -0.04 1.67 1.97 2oi6A1 ARG 116 HD2 -0.01 -0.00 0.01 -0.04 3.22 3.17 2oi6A1 ARG 116 HD3 -0.01 -0.04 -0.01 -0.04 3.22 3.12 2oi6A1 LEU 117 H -0.02 0.49 -0.35 -0.55 8.37 7.95 2oi6A1 LEU 117 HA -0.03 -0.02 0.30 -0.75 4.35 3.85 2oi6A1 LEU 117 HB2 -0.03 -0.04 -0.06 -0.04 1.64 1.46 2oi6A1 LEU 117 HB3 -0.02 0.17 0.08 -0.04 1.64 1.83 2oi6A1 LEU 117 HG -0.02 0.02 -0.37 -0.04 1.64 1.24 2oi6A1 LEU 117 HD13 -0.03 0.00 -0.43 -0.04 0.93 0.43 2oi6A1 LEU 117 HD23 -0.03 -0.03 -0.26 -0.04 0.89 0.54 2oi6A1 ARG 118 H -0.01 0.63 -0.11 -0.55 8.46 8.41 2oi6A1 ARG 118 HA -0.01 -0.04 0.36 -0.75 4.34 3.90 2oi6A1 ARG 118 HB2 -0.01 0.10 0.12 -0.04 1.90 2.08 2oi6A1 ARG 118 HB3 -0.01 -0.00 -0.08 -0.04 1.80 1.67 2oi6A1 ARG 118 HG2 -0.01 -0.11 -0.05 -0.04 1.67 1.46 2oi6A1 ARG 118 HG3 -0.01 0.12 -0.03 -0.04 1.67 1.71 2oi6A1 ARG 118 HD2 -0.01 -0.03 -0.12 -0.04 3.22 3.02 2oi6A1 ARG 118 HD3 -0.01 0.03 -0.04 -0.04 3.22 3.16 2oi6A1 ASP 119 H -0.01 0.48 -0.27 -0.55 8.40 8.06 2oi6A1 ASP 119 HA -0.00 0.06 0.44 -0.75 4.63 4.37 2oi6A1 ASP 119 HB2 -0.01 0.07 0.10 -0.04 2.71 2.83 2oi6A1 ASP 119 HB3 -0.01 -0.07 0.04 -0.04 2.70 2.62 2oi6A1 ALA 120 H -0.01 0.30 -0.38 -0.55 8.40 7.76 2oi6A1 ALA 120 HA -0.01 0.05 0.49 -0.75 4.34 4.11 2oi6A1 ALA 120 HB3 -0.03 -0.02 -0.01 -0.04 1.41 1.31 2oi6A1 LYS 121 H -0.00 0.31 -0.36 -0.55 8.42 7.81 2oi6A1 LYS 121 HA 0.02 0.01 0.22 -0.75 4.32 3.81 2oi6A1 LYS 121 HB2 0.01 -0.06 0.06 -0.04 1.87 1.85 2oi6A1 LYS 121 HB3 0.01 0.17 0.07 -0.04 1.79 2.00 2oi6A1 LYS 121 HG2 0.05 0.11 -0.32 -0.04 1.46 1.26 2oi6A1 LYS 121 HG3 0.05 -0.05 -0.14 -0.04 1.46 1.28 2oi6A1 LYS 121 HD2 0.02 -0.02 -0.16 -0.04 1.69 1.50 2oi6A1 LYS 121 HD3 0.03 -0.00 -0.44 -0.04 1.68 1.22 2oi6A1 LYS 121 HE2 0.07 0.22 -0.10 -0.04 2.99 3.14 2oi6A1 LYS 121 HE3 0.05 -0.19 -0.11 -0.04 2.99 2.70 2oi6A1 PRO 122 HA 0.02 0.11 0.59 -0.51 4.44 4.66 2oi6A1 PRO 122 HB2 0.04 -0.02 -0.01 -0.04 2.28 2.24 2oi6A1 PRO 122 HB3 0.03 0.00 0.08 -0.04 2.02 2.09 2oi6A1 PRO 122 HG2 0.03 -0.04 -0.04 -0.04 2.03 1.93 2oi6A1 PRO 122 HG3 0.02 0.16 0.03 -0.04 2.03 2.19 2oi6A1 PRO 122 HD2 0.04 -0.04 0.13 -0.04 3.68 3.77 2oi6A1 PRO 122 HD3 0.02 0.19 0.19 -0.04 3.65 4.01 2oi6A1 GLN 123 H 0.02 0.13 0.14 -0.55 8.47 8.22 2oi6A1 GLN 123 HA 0.03 0.03 0.39 -0.75 4.36 4.05 2oi6A1 GLN 123 HB2 0.02 0.00 0.18 -0.04 2.15 2.31 2oi6A1 GLN 123 HB3 0.02 0.02 -0.02 -0.04 2.02 2.00 2oi6A1 GLN 123 HG2 0.01 0.06 0.07 -0.04 2.40 2.50 2oi6A1 GLN 123 HG3 0.01 -0.00 0.04 -0.04 2.39 2.40 2oi6A1 GLN 123 HE21 0.01 -0.03 0.01 -0.04 6.97 6.92 2oi6A1 GLN 123 HE22 0.01 0.06 0.01 -0.04 7.69 7.72 2oi6A1 GLY 124 H 0.05 0.08 0.21 -0.55 8.43 8.22 2oi6A1 GLY 124 HA2 0.07 -0.07 0.41 -0.51 4.01 3.90 2oi6A1 GLY 124 HA3 0.07 0.09 0.47 -0.51 4.01 4.12 2oi6A1 GLY 125 H 0.09 0.64 -0.58 -0.55 8.43 8.03 2oi6A1 GLY 125 HA2 0.18 0.10 0.95 -0.51 4.01 4.73 2oi6A1 GLY 125 HA3 0.09 0.17 0.43 -0.51 4.01 4.19 2oi6A1 ILE 126 H 0.06 0.60 0.40 -0.55 8.25 8.76 2oi6A1 ILE 126 HA 0.11 0.30 1.23 -0.75 4.18 5.07 2oi6A1 ILE 126 HB -0.02 -0.08 -0.00 -0.04 1.89 1.75 2oi6A1 ILE 126 HG12 0.26 0.04 -0.16 -0.04 1.49 1.58 2oi6A1 ILE 126 HG13 0.11 -0.03 -0.58 -0.04 1.21 0.67 2oi6A1 ILE 126 HG23 0.02 -0.02 -0.28 -0.04 0.93 0.61 2oi6A1 ILE 126 HD13 -0.55 -0.02 -0.21 -0.04 0.88 0.06 2oi6A1 GLY 127 H 0.04 0.62 0.38 -0.55 8.43 8.93 2oi6A1 GLY 127 HA2 -0.00 0.24 0.92 -0.51 4.01 4.66 2oi6A1 GLY 127 HA3 0.00 0.08 0.35 -0.51 4.01 3.93 2oi6A1 LEU 128 H -0.03 0.84 0.39 -0.55 8.37 9.02 2oi6A1 LEU 128 HA -0.02 0.18 1.09 -0.75 4.35 4.84 2oi6A1 LEU 128 HB2 -0.02 -0.01 -0.21 -0.04 1.64 1.36 2oi6A1 LEU 128 HB3 -0.03 0.01 -0.06 -0.04 1.64 1.52 2oi6A1 LEU 128 HG -0.02 -0.00 -0.36 -0.04 1.64 1.22 2oi6A1 LEU 128 HD13 -0.02 0.01 -0.06 -0.04 0.93 0.82 2oi6A1 LEU 128 HD23 -0.02 -0.02 -0.20 -0.04 0.89 0.61 2oi6A1 LEU 129 H -0.04 0.58 0.27 -0.55 8.37 8.63 2oi6A1 LEU 129 HA -0.04 0.32 0.95 -0.75 4.35 4.82 2oi6A1 LEU 129 HB2 -0.04 0.01 -0.05 -0.04 1.64 1.51 2oi6A1 LEU 129 HB3 -0.06 -0.12 0.22 -0.04 1.64 1.64 2oi6A1 LEU 129 HG -0.03 0.01 -0.18 -0.04 1.64 1.41 2oi6A1 LEU 129 HD13 -0.03 0.07 -0.30 -0.04 0.93 0.63 2oi6A1 LEU 129 HD23 -0.05 -0.04 -0.09 -0.04 0.89 0.67 2oi6A1 THR 130 H 0.02 0.68 0.36 -0.55 8.28 8.80 2oi6A1 THR 130 HA 0.01 0.12 1.22 -0.75 4.39 4.98 2oi6A1 THR 130 HB 0.05 0.09 -0.05 -0.04 4.32 4.36 2oi6A1 THR 130 HG23 0.01 -0.01 -0.32 -0.04 1.22 0.85 2oi6A1 VAL 131 H -0.01 0.63 0.33 -0.55 8.24 8.63 2oi6A1 VAL 131 HA -0.06 0.15 0.81 -0.75 4.13 4.28 2oi6A1 VAL 131 HB -0.03 0.01 -0.25 -0.04 2.12 1.81 2oi6A1 VAL 131 HG13 -0.11 -0.00 -0.17 -0.04 0.97 0.65 2oi6A1 VAL 131 HG23 -0.06 0.03 -0.01 -0.04 0.95 0.87 2oi6A1 LYS 132 H -0.15 0.17 0.12 -0.55 8.42 8.01 2oi6A1 LYS 132 HA -0.06 0.29 0.87 -0.75 4.32 4.66 2oi6A1 LYS 132 HB2 -0.15 -0.03 -0.01 -0.04 1.87 1.64 2oi6A1 LYS 132 HB3 -0.12 -0.02 0.10 -0.04 1.79 1.71 2oi6A1 LYS 132 HG2 -0.05 0.03 -0.27 -0.04 1.46 1.13 2oi6A1 LYS 132 HG3 -0.05 -0.02 -0.19 -0.04 1.46 1.16 2oi6A1 LYS 132 HD2 -0.08 -0.02 -0.06 -0.04 1.69 1.50 2oi6A1 LYS 132 HD3 -0.07 -0.01 -0.06 -0.04 1.68 1.50 2oi6A1 LYS 132 HE2 -0.03 -0.03 -0.04 -0.04 2.99 2.84 2oi6A1 LYS 132 HE3 -0.03 -0.01 -0.04 -0.04 2.99 2.87 2oi6A1 LEU 133 H -0.03 0.66 0.23 -0.55 8.37 8.69 2oi6A1 LEU 133 HA -0.03 0.12 0.92 -0.75 4.35 4.61 2oi6A1 LEU 133 HB2 0.01 0.06 -0.23 -0.04 1.64 1.44 2oi6A1 LEU 133 HB3 -0.00 -0.08 -0.11 -0.04 1.64 1.42 2oi6A1 LEU 133 HG -0.08 0.02 -0.30 -0.04 1.64 1.23 2oi6A1 LEU 133 HD13 -0.14 0.01 -0.08 -0.04 0.93 0.68 2oi6A1 LEU 133 HD23 -0.08 0.02 -0.17 -0.04 0.89 0.62 2oi6A1 ASP 134 H -0.01 0.11 0.11 -0.55 8.40 8.06 2oi6A1 ASP 134 HA -0.00 0.10 0.43 -0.75 4.63 4.40 2oi6A1 ASP 134 HB2 0.00 -0.06 0.13 -0.04 2.71 2.74 2oi6A1 ASP 134 HB3 0.00 0.03 0.03 -0.04 2.70 2.72 2oi6A1 ASP 135 H 0.02 0.06 -0.09 -0.55 8.40 7.84 2oi6A1 ASP 135 HA 0.03 0.28 0.86 -0.75 4.63 5.05 2oi6A1 ASP 135 HB2 0.02 0.03 -0.00 -0.04 2.71 2.72 2oi6A1 ASP 135 HB3 0.03 -0.04 0.17 -0.04 2.70 2.82 2oi6A1 PRO 136 HA 0.17 0.07 0.49 -0.51 4.44 4.65 2oi6A1 PRO 136 HB2 0.10 0.01 0.03 -0.04 2.28 2.38 2oi6A1 PRO 136 HB3 0.06 0.05 0.05 -0.04 2.02 2.13 2oi6A1 PRO 136 HG2 0.07 0.04 -0.07 -0.04 2.03 2.03 2oi6A1 PRO 136 HG3 0.04 0.21 -0.09 -0.04 2.03 2.15 2oi6A1 PRO 136 HD2 0.04 0.05 0.17 -0.04 3.68 3.90 2oi6A1 PRO 136 HD3 0.03 0.34 -0.25 -0.04 3.65 3.74 2oi6A1 THR 137 H 0.05 0.01 -0.49 -0.55 8.28 7.31 2oi6A1 THR 137 HA 0.00 0.04 0.36 -0.75 4.39 4.04 2oi6A1 THR 137 HB -0.06 0.00 0.02 -0.04 4.32 4.24 2oi6A1 THR 137 HG23 -0.21 -0.01 -0.11 -0.04 1.22 0.85 2oi6A1 GLY 138 H -0.99 0.11 0.18 -0.55 8.43 7.18 2oi6A1 GLY 138 HA2 -0.62 -0.09 0.36 -0.51 4.01 3.15 2oi6A1 GLY 138 HA3 -0.61 0.16 0.61 -0.51 4.01 3.66 2oi6A1 TYR 139 H -0.03 0.56 -0.16 -0.55 8.29 8.11 2oi6A1 TYR 139 HA -0.01 0.10 0.98 -0.75 4.56 4.88 2oi6A1 TYR 139 HB2 0.00 0.15 -0.02 -0.04 3.06 3.15 2oi6A1 TYR 139 HB3 0.00 0.00 0.07 -0.04 2.98 3.02 2oi6A1 TYR 139 HD2 -0.00 0.02 -0.10 -0.04 7.15 7.03 2oi6A1 TYR 139 HE2 -0.00 -0.02 -0.04 -0.04 6.85 6.75 2oi6A1 GLY 140 H 0.15 0.14 0.17 -0.55 8.43 8.33 2oi6A1 GLY 140 HA2 0.04 0.02 0.44 -0.51 4.01 4.00 2oi6A1 GLY 140 HA3 0.03 -0.06 0.25 -0.51 4.01 3.72 2oi6A1 ARG 141 H 0.03 0.68 0.30 -0.55 8.46 8.92 2oi6A1 ARG 141 HA 0.04 0.26 0.74 -0.75 4.34 4.62 2oi6A1 ARG 141 HB2 0.01 -0.10 0.13 -0.04 1.90 1.90 2oi6A1 ARG 141 HB3 0.01 0.04 -0.04 -0.04 1.80 1.77 2oi6A1 ARG 141 HG2 0.02 0.05 -0.12 -0.04 1.67 1.58 2oi6A1 ARG 141 HG3 0.04 0.20 -0.04 -0.04 1.67 1.83 2oi6A1 ARG 141 HD2 0.09 0.01 -0.29 -0.04 3.22 2.99 2oi6A1 ARG 141 HD3 0.06 -0.10 0.02 -0.04 3.22 3.16 2oi6A1 ILE 142 H 0.01 0.64 0.24 -0.55 8.25 8.59 2oi6A1 ILE 142 HA -0.01 0.12 0.74 -0.75 4.18 4.27 2oi6A1 ILE 142 HB 0.00 -0.01 0.04 -0.04 1.89 1.88 2oi6A1 ILE 142 HG12 0.01 0.17 -0.29 -0.04 1.49 1.34 2oi6A1 ILE 142 HG13 0.01 -0.02 -0.32 -0.04 1.21 0.84 2oi6A1 ILE 142 HG23 -0.02 -0.00 -0.21 -0.04 0.93 0.66 2oi6A1 ILE 142 HD13 -0.00 -0.03 -0.29 -0.04 0.88 0.52 2oi6A1 THR 143 H -0.04 0.59 0.27 -0.55 8.28 8.55 2oi6A1 THR 143 HA -0.04 0.16 0.84 -0.75 4.39 4.61 2oi6A1 THR 143 HB -0.06 0.05 -0.07 -0.04 4.32 4.20 2oi6A1 THR 143 HG23 -0.03 0.01 -0.19 -0.04 1.22 0.98 2oi6A1 ARG 144 H -0.05 0.21 0.14 -0.55 8.46 8.21 2oi6A1 ARG 144 HA -0.12 0.36 0.83 -0.75 4.34 4.66 2oi6A1 ARG 144 HB2 -0.03 -0.03 -0.09 -0.04 1.90 1.71 2oi6A1 ARG 144 HB3 -0.04 -0.11 -0.31 -0.04 1.80 1.30 2oi6A1 ARG 144 HG2 -0.04 0.04 -0.61 -0.04 1.67 1.02 2oi6A1 ARG 144 HG3 -0.04 -0.05 -0.65 -0.04 1.67 0.89 2oi6A1 ARG 144 HD2 -0.01 -0.04 -0.17 -0.04 3.22 2.96 2oi6A1 ARG 144 HD3 -0.01 0.06 -0.22 -0.04 3.22 3.00 2oi6A1 GLU 145 H -0.10 0.81 0.13 -0.55 8.60 8.90 2oi6A1 GLU 145 HA -0.03 0.08 0.80 -0.75 4.29 4.39 2oi6A1 GLU 145 HB2 -0.12 0.08 0.07 -0.04 2.09 2.09 2oi6A1 GLU 145 HB3 0.01 0.03 -0.00 -0.04 1.99 1.99 2oi6A1 GLU 145 HG2 -0.02 -0.01 0.04 -0.04 2.34 2.31 2oi6A1 GLU 145 HG3 -0.08 -0.03 -0.32 -0.04 2.34 1.86 2oi6A1 ASN 146 H -0.00 0.16 0.07 -0.55 8.53 8.22 2oi6A1 ASN 146 HA 0.01 0.04 0.32 -0.75 4.76 4.37 2oi6A1 ASN 146 HB2 0.03 0.21 0.01 -0.04 2.88 3.09 2oi6A1 ASN 146 HB3 0.02 0.03 0.21 -0.04 2.79 3.01 2oi6A1 ASN 146 HD21 0.03 0.00 -0.05 -0.04 7.03 6.97 2oi6A1 ASN 146 HD22 0.04 0.08 -0.13 -0.04 7.74 7.69 2oi6A1 GLY 147 H -0.01 0.03 -0.25 -0.55 8.43 7.65 2oi6A1 GLY 147 HA2 -0.00 -0.02 0.23 -0.51 4.01 3.70 2oi6A1 GLY 147 HA3 0.00 0.15 0.41 -0.51 4.01 4.06 2oi6A1 LYS 148 H -0.01 0.37 -0.63 -0.55 8.42 7.60 2oi6A1 LYS 148 HA -0.01 0.16 0.86 -0.75 4.32 4.58 2oi6A1 LYS 148 HB2 0.03 0.04 0.06 -0.04 1.87 1.96 2oi6A1 LYS 148 HB3 0.06 0.07 0.04 -0.04 1.79 1.92 2oi6A1 LYS 148 HG2 0.04 -0.01 -0.04 -0.04 1.46 1.41 2oi6A1 LYS 148 HG3 0.03 0.11 -0.05 -0.04 1.46 1.51 2oi6A1 LYS 148 HD2 0.11 0.01 0.01 -0.04 1.69 1.77 2oi6A1 LYS 148 HD3 0.06 -0.03 0.02 -0.04 1.68 1.68 2oi6A1 LYS 148 HE2 0.09 0.01 0.04 -0.04 2.99 3.09 2oi6A1 LYS 148 HE3 0.21 -0.01 0.01 -0.04 2.99 3.17 2oi6A1 VAL 149 H -0.04 0.26 0.22 -0.55 8.24 8.13 2oi6A1 VAL 149 HA -0.10 0.11 0.45 -0.75 4.13 3.84 2oi6A1 VAL 149 HB -0.05 0.15 0.09 -0.04 2.12 2.27 2oi6A1 VAL 149 HG13 -0.07 -0.02 -0.18 -0.04 0.97 0.66 2oi6A1 VAL 149 HG23 -0.03 -0.01 -0.05 -0.04 0.95 0.83 2oi6A1 THR 150 H -0.20 0.59 0.38 -0.55 8.28 8.50 2oi6A1 THR 150 HA -0.71 0.26 0.93 -0.75 4.39 4.11 2oi6A1 THR 150 HB -0.64 -0.01 0.01 -0.04 4.32 3.64 2oi6A1 THR 150 HG23 -0.84 0.06 -0.17 -0.04 1.22 0.23 2oi6A1 GLY 151 H -0.13 0.27 0.23 -0.55 8.43 8.26 2oi6A1 GLY 151 HA2 -0.07 -0.03 0.12 -0.51 4.01 3.52 2oi6A1 GLY 151 HA3 -0.06 0.12 0.52 -0.51 4.01 4.07 2oi6A1 ILE 152 H -0.01 0.27 0.18 -0.55 8.25 8.13 2oi6A1 ILE 152 HA -0.01 0.43 0.89 -0.75 4.18 4.73 2oi6A1 ILE 152 HB 0.01 -0.01 0.03 -0.04 1.89 1.87 2oi6A1 ILE 152 HG12 -0.01 0.09 -0.18 -0.04 1.49 1.35 2oi6A1 ILE 152 HG13 -0.02 -0.05 -0.50 -0.04 1.21 0.60 2oi6A1 ILE 152 HG23 0.00 -0.03 -0.30 -0.04 0.93 0.57 2oi6A1 ILE 152 HD13 0.00 -0.01 -0.11 -0.04 0.88 0.72 2oi6A1 VAL 153 H 0.00 0.65 0.20 -0.55 8.24 8.55 2oi6A1 VAL 153 HA 0.04 0.14 0.92 -0.75 4.13 4.47 2oi6A1 VAL 153 HB 0.00 0.03 0.07 -0.04 2.12 2.18 2oi6A1 VAL 153 HG13 0.01 0.04 -0.23 -0.04 0.97 0.75 2oi6A1 VAL 153 HG23 0.00 0.01 -0.17 -0.04 0.95 0.75 2oi6A1 GLU 154 H 0.02 0.12 0.05 -0.55 8.60 8.25 2oi6A1 GLU 154 HA -0.04 0.06 0.39 -0.75 4.29 3.94 2oi6A1 GLU 154 HB2 -0.04 -0.04 0.07 -0.04 2.09 2.04 2oi6A1 GLU 154 HB3 -0.15 -0.00 0.00 -0.04 1.99 1.80 2oi6A1 GLU 154 HG2 -0.31 0.03 -0.00 -0.04 2.34 2.01 2oi6A1 GLU 154 HG3 -1.25 -0.01 0.00 -0.04 2.34 1.04 2oi6A1 HIS 155 H 0.08 0.17 -0.10 -0.55 8.41 8.01 2oi6A1 HIS 155 HA -0.01 0.18 0.30 -0.75 4.63 4.34 2oi6A1 HIS 155 HB2 -0.05 0.15 -0.08 -0.04 3.26 3.23 2oi6A1 HIS 155 HB3 -0.07 -0.06 0.03 -0.04 3.20 3.06 2oi6A1 HIS 155 HD2 -0.04 -0.00 -0.17 -0.04 6.97 6.71 2oi6A1 HIS 155 HE1 -0.02 0.08 0.02 -0.04 7.75 7.78 2oi6A1 LYS 156 H 0.08 0.02 -0.14 -0.55 8.42 7.82 2oi6A1 LYS 156 HA 0.00 0.14 0.33 -0.75 4.32 4.03 2oi6A1 LYS 156 HB2 0.07 -0.15 -0.03 -0.04 1.87 1.72 2oi6A1 LYS 156 HB3 0.04 0.09 -0.02 -0.04 1.79 1.85 2oi6A1 LYS 156 HG2 0.08 -0.08 0.04 -0.04 1.46 1.46 2oi6A1 LYS 156 HG3 0.05 -0.01 -0.03 -0.04 1.46 1.43 2oi6A1 LYS 156 HD2 0.04 0.06 -0.01 -0.04 1.69 1.75 2oi6A1 LYS 156 HD3 0.11 0.03 -0.01 -0.04 1.68 1.77 2oi6A1 LYS 156 HE2 0.03 -0.02 -0.00 -0.04 2.99 2.96 2oi6A1 LYS 156 HE3 0.02 -0.01 -0.01 -0.04 2.99 2.95 2oi6A1 ASP 157 H 0.03 0.02 -0.39 -0.55 8.40 7.51 2oi6A1 ASP 157 HA 0.02 0.11 0.58 -0.75 4.63 4.59 2oi6A1 ASP 157 HB2 0.07 0.03 0.04 -0.04 2.71 2.82 2oi6A1 ASP 157 HB3 0.06 0.05 0.11 -0.04 2.70 2.87 2oi6A1 ALA 158 H -0.07 0.35 -0.32 -0.55 8.40 7.82 2oi6A1 ALA 158 HA -0.03 -0.02 0.54 -0.75 4.34 4.07 2oi6A1 ALA 158 HB3 -0.07 0.00 -0.10 -0.04 1.41 1.20 2oi6A1 THR 159 H -0.03 0.03 0.17 -0.55 8.28 7.89 2oi6A1 THR 159 HA -0.04 0.20 0.51 -0.75 4.39 4.31 2oi6A1 THR 159 HB -0.02 -0.03 0.17 -0.04 4.32 4.40 2oi6A1 THR 159 HG23 -0.02 0.05 0.08 -0.04 1.22 1.29 2oi6A1 ASP 160 H -0.03 0.18 0.16 -0.55 8.40 8.16 2oi6A1 ASP 160 HA -0.04 0.15 0.39 -0.75 4.63 4.37 2oi6A1 ASP 160 HB2 -0.02 -0.05 0.11 -0.04 2.71 2.72 2oi6A1 ASP 160 HB3 -0.01 0.06 0.01 -0.04 2.70 2.72 2oi6A1 GLU 161 H -0.02 0.04 -0.18 -0.55 8.60 7.89 2oi6A1 GLU 161 HA -0.01 0.15 0.40 -0.75 4.29 4.08 2oi6A1 GLU 161 HB2 -0.01 -0.07 0.06 -0.04 2.09 2.03 2oi6A1 GLU 161 HB3 -0.01 0.07 -0.02 -0.04 1.99 1.99 2oi6A1 GLU 161 HG2 -0.01 0.06 0.01 -0.04 2.34 2.36 2oi6A1 GLU 161 HG3 -0.01 0.05 0.00 -0.04 2.34 2.34 2oi6A1 GLN 162 H -0.02 0.00 -0.17 -0.55 8.47 7.74 2oi6A1 GLN 162 HA -0.01 0.07 0.44 -0.75 4.36 4.11 2oi6A1 GLN 162 HB2 -0.03 -0.03 0.10 -0.04 2.15 2.15 2oi6A1 GLN 162 HB3 -0.01 0.05 -0.01 -0.04 2.02 2.00 2oi6A1 GLN 162 HG2 -0.01 0.06 0.02 -0.04 2.40 2.42 2oi6A1 GLN 162 HG3 -0.01 -0.06 0.04 -0.04 2.39 2.32 2oi6A1 GLN 162 HE21 -0.01 0.03 -0.02 -0.04 6.97 6.93 2oi6A1 GLN 162 HE22 -0.01 0.03 -0.03 -0.04 7.69 7.63 2oi6A1 ARG 163 H -0.03 0.43 -0.47 -0.55 8.46 7.83 2oi6A1 ARG 163 HA 0.01 0.05 0.37 -0.75 4.34 4.02 2oi6A1 ARG 163 HB2 -0.03 0.09 0.07 -0.04 1.90 1.98 2oi6A1 ARG 163 HB3 0.01 -0.06 0.04 -0.04 1.80 1.75 2oi6A1 ARG 163 HG2 -0.18 -0.08 -0.03 -0.04 1.67 1.34 2oi6A1 ARG 163 HG3 -0.14 0.07 -0.20 -0.04 1.67 1.36 2oi6A1 ARG 163 HD2 -0.13 -0.07 -0.16 -0.04 3.22 2.82 2oi6A1 ARG 163 HD3 -0.17 -0.09 -0.05 -0.04 3.22 2.87 2oi6A1 GLN 164 H -0.00 0.37 -0.69 -0.55 8.47 7.60 2oi6A1 GLN 164 HA 0.01 0.04 0.47 -0.75 4.36 4.13 2oi6A1 GLN 164 HB2 -0.00 0.19 0.12 -0.04 2.15 2.41 2oi6A1 GLN 164 HB3 0.00 -0.09 0.04 -0.04 2.02 1.93 2oi6A1 GLN 164 HG2 -0.00 0.15 0.11 -0.04 2.40 2.62 2oi6A1 GLN 164 HG3 -0.00 -0.10 0.05 -0.04 2.39 2.29 2oi6A1 GLN 164 HE21 0.01 -0.05 -0.05 -0.04 6.97 6.85 2oi6A1 GLN 164 HE22 0.01 0.09 -0.11 -0.04 7.69 7.64 2oi6A1 ILE 165 H 0.01 0.39 -0.23 -0.55 8.25 7.86 2oi6A1 ILE 165 HA 0.00 -0.08 0.43 -0.75 4.18 3.78 2oi6A1 ILE 165 HB 0.01 0.10 0.14 -0.04 1.89 2.10 2oi6A1 ILE 165 HG12 -0.01 -0.06 0.08 -0.04 1.49 1.47 2oi6A1 ILE 165 HG13 -0.00 -0.00 0.15 -0.04 1.21 1.32 2oi6A1 ILE 165 HG23 0.00 0.01 -0.00 -0.04 0.93 0.90 2oi6A1 ILE 165 HD13 -0.01 0.03 -0.01 -0.04 0.88 0.84 2oi6A1 GLN 166 H -0.00 0.03 0.23 -0.55 8.47 8.18 2oi6A1 GLN 166 HA 0.02 0.26 0.84 -0.75 4.36 4.73 2oi6A1 GLN 166 HB2 -0.01 -0.10 0.11 -0.04 2.15 2.11 2oi6A1 GLN 166 HB3 -0.01 -0.00 0.13 -0.04 2.02 2.09 2oi6A1 GLN 166 HG2 0.01 0.11 0.04 -0.04 2.40 2.51 2oi6A1 GLN 166 HG3 0.01 0.20 -0.01 -0.04 2.39 2.54 2oi6A1 GLN 166 HE21 -0.00 -0.14 0.06 -0.04 6.97 6.85 2oi6A1 GLN 166 HE22 0.00 0.29 0.21 -0.04 7.69 8.16 2oi6A1 GLU 167 H -0.00 0.03 0.01 -0.55 8.60 8.10 2oi6A1 GLU 167 HA -0.03 0.15 0.63 -0.75 4.29 4.29 2oi6A1 GLU 167 HB2 -0.02 -0.01 0.01 -0.04 2.09 2.03 2oi6A1 GLU 167 HB3 -0.00 -0.01 0.14 -0.04 1.99 2.08 2oi6A1 GLU 167 HG2 0.02 -0.03 -0.30 -0.04 2.34 1.98 2oi6A1 GLU 167 HG3 0.02 0.01 -0.21 -0.04 2.34 2.12 2oi6A1 ILE 168 H -0.02 0.79 0.42 -0.55 8.25 8.88 2oi6A1 ILE 168 HA 0.02 0.25 1.14 -0.75 4.18 4.84 2oi6A1 ILE 168 HB 0.07 -0.05 0.01 -0.04 1.89 1.88 2oi6A1 ILE 168 HG12 -0.09 -0.02 -0.06 -0.04 1.49 1.27 2oi6A1 ILE 168 HG13 -0.07 0.18 0.14 -0.04 1.21 1.41 2oi6A1 ILE 168 HG23 0.08 0.04 -0.30 -0.04 0.93 0.71 2oi6A1 ILE 168 HD13 -0.27 -0.06 -0.40 -0.04 0.88 0.12 2oi6A1 ASN 169 H 0.03 0.54 0.21 -0.55 8.53 8.76 2oi6A1 ASN 169 HA -0.01 0.14 0.66 -0.75 4.76 4.79 2oi6A1 ASN 169 HB2 0.01 0.04 -0.02 -0.04 2.88 2.88 2oi6A1 ASN 169 HB3 0.04 -0.10 0.15 -0.04 2.79 2.84 2oi6A1 ASN 169 HD21 0.05 0.04 -0.08 -0.04 7.03 7.00 2oi6A1 ASN 169 HD22 0.05 -0.08 -0.05 -0.04 7.74 7.61 2oi6A1 THR 170 H -0.05 0.60 0.39 -0.55 8.28 8.68 2oi6A1 THR 170 HA -0.12 0.12 0.48 -0.75 4.39 4.12 2oi6A1 THR 170 HB -0.11 -0.00 0.13 -0.04 4.32 4.29 2oi6A1 THR 170 HG23 -0.06 0.02 -0.11 -0.04 1.22 1.03 2oi6A1 GLY 171 H -0.06 0.07 -0.18 -0.55 8.43 7.71 2oi6A1 GLY 171 HA2 -0.00 -0.08 0.23 -0.51 4.01 3.64 2oi6A1 GLY 171 HA3 -0.34 0.18 0.75 -0.51 4.01 4.08 2oi6A1 ILE 172 H -0.18 0.08 -0.23 -0.55 8.25 7.37 2oi6A1 ILE 172 HA -0.13 0.29 0.66 -0.75 4.18 4.24 2oi6A1 ILE 172 HB -0.10 -0.07 0.11 -0.04 1.89 1.78 2oi6A1 ILE 172 HG12 -0.19 0.05 0.10 -0.04 1.49 1.41 2oi6A1 ILE 172 HG13 -0.28 -0.05 -0.06 -0.04 1.21 0.77 2oi6A1 ILE 172 HG23 -0.06 0.04 -0.10 -0.04 0.93 0.77 2oi6A1 ILE 172 HD13 -0.09 0.00 0.00 -0.04 0.88 0.75 2oi6A1 LEU 173 H -0.02 0.36 0.40 -0.55 8.37 8.56 2oi6A1 LEU 173 HA -0.01 0.23 0.70 -0.75 4.35 4.52 2oi6A1 LEU 173 HB2 0.02 0.09 0.11 -0.04 1.64 1.82 2oi6A1 LEU 173 HB3 -0.00 -0.04 -0.06 -0.04 1.64 1.50 2oi6A1 LEU 173 HG 0.03 0.01 -0.08 -0.04 1.64 1.57 2oi6A1 LEU 173 HD13 0.08 -0.00 -0.26 -0.04 0.93 0.71 2oi6A1 LEU 173 HD23 0.04 -0.03 -0.20 -0.04 0.89 0.66 2oi6A1 ILE 174 H 0.02 0.60 0.38 -0.55 8.25 8.70 2oi6A1 ILE 174 HA 0.01 0.38 1.10 -0.75 4.18 4.92 2oi6A1 ILE 174 HB -0.00 -0.04 -0.19 -0.04 1.89 1.62 2oi6A1 ILE 174 HG12 0.01 -0.02 -0.21 -0.04 1.49 1.23 2oi6A1 ILE 174 HG13 -0.01 0.06 -0.34 -0.04 1.21 0.87 2oi6A1 ILE 174 HG23 0.01 0.01 -0.05 -0.04 0.93 0.86 2oi6A1 ILE 174 HD13 -0.01 0.01 -0.16 -0.04 0.88 0.68 2oi6A1 ALA 175 H 0.03 0.54 0.36 -0.55 8.40 8.79 2oi6A1 ALA 175 HA 0.11 0.21 0.67 -0.75 4.34 4.59 2oi6A1 ALA 175 HB3 0.33 0.01 -0.06 -0.04 1.41 1.65 2oi6A1 ASN 176 H 0.06 0.25 0.16 -0.55 8.53 8.45 2oi6A1 ASN 176 HA -0.02 0.15 0.55 -0.75 4.76 4.69 2oi6A1 ASN 176 HB2 -0.01 0.07 0.13 -0.04 2.88 3.03 2oi6A1 ASN 176 HB3 -0.06 -0.02 0.17 -0.04 2.79 2.84 2oi6A1 ASN 176 HD21 -0.02 0.40 0.19 -0.04 7.03 7.55 2oi6A1 ASN 176 HD22 -0.01 0.02 -0.06 -0.04 7.74 7.64 2oi6A1 GLY 177 H -0.03 0.76 0.36 -0.55 8.43 8.98 2oi6A1 GLY 177 HA2 0.03 0.01 0.29 -0.51 4.01 3.82 2oi6A1 GLY 177 HA3 0.04 0.29 0.30 -0.51 4.01 4.13 2oi6A1 ALA 178 H -0.05 0.27 -0.01 -0.55 8.40 8.05 2oi6A1 ALA 178 HA -0.08 0.09 0.44 -0.75 4.34 4.04 2oi6A1 ALA 178 HB3 -0.08 0.00 0.12 -0.04 1.41 1.41 2oi6A1 ASP 179 H -0.25 0.10 -0.20 -0.55 8.40 7.50 2oi6A1 ASP 179 HA -0.67 0.05 0.37 -0.75 4.63 3.63 2oi6A1 ASP 179 HB2 -0.57 0.08 0.08 -0.04 2.71 2.26 2oi6A1 ASP 179 HB3 -1.61 0.04 -0.01 -0.04 2.70 1.08 2oi6A1 MET 180 H -0.34 0.66 -0.22 -0.55 8.47 8.02 2oi6A1 MET 180 HA 0.02 -0.04 0.29 -0.75 4.52 4.03 2oi6A1 MET 180 HB2 0.03 0.11 -0.08 -0.04 2.15 2.17 2oi6A1 MET 180 HB3 0.15 0.20 0.05 -0.04 2.03 2.40 2oi6A1 MET 180 HG2 0.35 0.00 -0.11 -0.04 2.63 2.83 2oi6A1 MET 180 HG3 0.28 -0.05 -0.18 -0.04 2.56 2.57 2oi6A1 MET 180 HE3 0.36 -0.02 -0.04 -0.04 2.10 2.35 2oi6A1 LYS 181 H -0.10 0.52 -0.25 -0.55 8.42 8.03 2oi6A1 LYS 181 HA -0.04 -0.03 0.37 -0.75 4.32 3.87 2oi6A1 LYS 181 HB2 -0.09 0.09 0.14 -0.04 1.87 1.97 2oi6A1 LYS 181 HB3 -0.09 -0.05 -0.02 -0.04 1.79 1.59 2oi6A1 LYS 181 HG2 -0.14 -0.11 -0.08 -0.04 1.46 1.08 2oi6A1 LYS 181 HG3 0.03 0.16 0.02 -0.04 1.46 1.63 2oi6A1 LYS 181 HD2 -0.11 -0.08 -0.09 -0.04 1.69 1.37 2oi6A1 LYS 181 HD3 -0.15 0.23 -0.15 -0.04 1.68 1.56 2oi6A1 LYS 181 HE2 0.02 0.03 -0.36 -0.04 2.99 2.64 2oi6A1 LYS 181 HE3 -0.05 -0.09 -0.08 -0.04 2.99 2.73 2oi6A1 ARG 182 H -0.29 0.46 -0.22 -0.55 8.46 7.85 2oi6A1 ARG 182 HA -0.08 0.00 0.37 -0.75 4.34 3.87 2oi6A1 ARG 182 HB2 -0.33 0.11 0.17 -0.04 1.90 1.81 2oi6A1 ARG 182 HB3 -0.46 0.04 0.07 -0.04 1.80 1.41 2oi6A1 ARG 182 HG2 -0.05 -0.03 0.04 -0.04 1.67 1.59 2oi6A1 ARG 182 HG3 -0.11 -0.03 0.01 -0.04 1.67 1.50 2oi6A1 ARG 182 HD2 0.04 -0.01 -0.07 -0.04 3.22 3.13 2oi6A1 ARG 182 HD3 -0.02 -0.03 -0.02 -0.04 3.22 3.11 2oi6A1 TRP 183 H -0.39 0.59 -0.08 -0.55 7.97 7.53 2oi6A1 TRP 183 HA 0.04 0.06 0.44 -0.75 4.62 4.40 2oi6A1 TRP 183 HB2 0.06 0.04 0.05 -0.04 3.23 3.33 2oi6A1 TRP 183 HB3 0.05 -0.13 -0.02 -0.04 3.23 3.10 2oi6A1 TRP 183 HD1 0.03 -0.01 -0.15 -0.04 7.22 7.05 2oi6A1 TRP 183 HE1 0.03 0.03 -0.08 -0.04 10.20 10.14 2oi6A1 TRP 183 HE3 0.06 -0.05 -0.12 -0.04 7.59 7.43 2oi6A1 TRP 183 HZ2 0.03 0.10 -0.01 -0.04 7.44 7.51 2oi6A1 TRP 183 HZ3 0.04 -0.04 -0.19 -0.04 7.13 6.90 2oi6A1 TRP 183 HH2 0.03 0.11 -0.15 -0.04 7.19 7.14 2oi6A1 LEU 184 H 0.18 0.65 -0.12 -0.55 8.37 8.53 2oi6A1 LEU 184 HA 0.16 -0.09 0.29 -0.75 4.35 3.95 2oi6A1 LEU 184 HB2 0.04 0.14 0.08 -0.04 1.64 1.86 2oi6A1 LEU 184 HB3 0.04 -0.07 -0.05 -0.04 1.64 1.52 2oi6A1 LEU 184 HG 0.20 0.20 0.01 -0.04 1.64 2.01 2oi6A1 LEU 184 HD13 0.09 -0.03 -0.25 -0.04 0.93 0.71 2oi6A1 LEU 184 HD23 0.16 -0.03 -0.05 -0.04 0.89 0.93 2oi6A1 ALA 185 H 0.05 0.49 -0.34 -0.55 8.40 8.05 2oi6A1 ALA 185 HA 0.01 -0.00 0.36 -0.75 4.34 3.96 2oi6A1 ALA 185 HB3 0.00 0.02 0.09 -0.04 1.41 1.48 2oi6A1 LYS 186 H 0.11 0.46 -0.51 -0.55 8.42 7.93 2oi6A1 LYS 186 HA 0.07 0.12 0.60 -0.75 4.32 4.36 2oi6A1 LYS 186 HB2 0.14 0.10 0.06 -0.04 1.87 2.12 2oi6A1 LYS 186 HB3 0.09 -0.11 0.11 -0.04 1.79 1.84 2oi6A1 LYS 186 HG2 0.07 -0.04 -0.09 -0.04 1.46 1.36 2oi6A1 LYS 186 HG3 0.11 0.25 0.04 -0.04 1.46 1.82 2oi6A1 LYS 186 HD2 0.17 -0.02 -0.02 -0.04 1.69 1.78 2oi6A1 LYS 186 HD3 0.09 -0.06 -0.00 -0.04 1.68 1.66 2oi6A1 LYS 186 HE2 0.07 -0.04 -0.03 -0.04 2.99 2.94 2oi6A1 LYS 186 HE3 0.10 0.09 -0.06 -0.04 2.99 3.08 2oi6A1 LEU 187 H 0.12 0.44 -0.28 -0.55 8.37 8.10 2oi6A1 LEU 187 HA 0.12 -0.04 0.41 -0.75 4.35 4.08 2oi6A1 LEU 187 HB2 0.20 0.11 0.02 -0.04 1.64 1.93 2oi6A1 LEU 187 HB3 0.31 -0.16 -0.10 -0.04 1.64 1.66 2oi6A1 LEU 187 HG 0.15 0.18 0.04 -0.04 1.64 1.98 2oi6A1 LEU 187 HD13 0.19 -0.05 -0.22 -0.04 0.93 0.81 2oi6A1 LEU 187 HD23 0.14 -0.02 -0.10 -0.04 0.89 0.87 2oi6A1 THR 188 H 0.04 0.13 0.26 -0.55 8.28 8.15 2oi6A1 THR 188 HA 0.09 0.24 0.84 -0.75 4.39 4.80 2oi6A1 THR 188 HB -0.04 -0.08 0.10 -0.04 4.32 4.26 2oi6A1 THR 188 HG23 0.04 0.09 -0.13 -0.04 1.22 1.18 2oi6A1 ASN 189 H -0.27 0.21 0.03 -0.55 8.53 7.96 2oi6A1 ASN 189 HA -0.53 0.33 0.84 -0.75 4.76 4.64 2oi6A1 ASN 189 HB2 -0.52 -0.02 -0.39 -0.04 2.88 1.91 2oi6A1 ASN 189 HB3 -1.53 -0.02 -0.28 -0.04 2.79 0.92 2oi6A1 ASN 189 HD21 -0.10 -0.01 0.01 -0.04 7.03 6.88 2oi6A1 ASN 189 HD22 -0.20 0.26 0.02 -0.04 7.74 7.79 2oi6A1 ASN 190 H -0.18 0.14 -0.36 -0.55 8.53 7.58 2oi6A1 ASN 190 HA -0.12 0.19 0.74 -0.75 4.76 4.81 2oi6A1 ASN 190 HB2 -0.08 0.01 0.18 -0.04 2.88 2.95 2oi6A1 ASN 190 HB3 -0.07 0.04 0.10 -0.04 2.79 2.82 2oi6A1 ASN 190 HD21 -0.03 0.04 0.00 -0.04 7.03 7.00 2oi6A1 ASN 190 HD22 -0.04 0.03 0.03 -0.04 7.74 7.71 2oi6A1 ASN 191 H -0.16 0.44 0.10 -0.55 8.53 8.37 2oi6A1 ASN 191 HA -0.07 0.23 0.74 -0.75 4.76 4.90 2oi6A1 ASN 191 HB2 -0.08 -0.17 0.11 -0.04 2.88 2.71 2oi6A1 ASN 191 HB3 -0.26 0.17 -0.15 -0.04 2.79 2.51 2oi6A1 ASN 191 HD21 -0.96 0.55 0.11 -0.04 7.03 6.68 2oi6A1 ASN 191 HD22 -0.78 0.05 -0.09 -0.04 7.74 6.89 2oi6A1 ALA 192 H 0.04 0.14 0.11 -0.55 8.40 8.15 2oi6A1 ALA 192 HA 0.00 0.16 0.24 -0.75 4.34 4.00 2oi6A1 ALA 192 HB3 0.06 0.01 -0.05 -0.04 1.41 1.39 2oi6A1 GLN 193 H 0.11 -0.06 -0.23 -0.55 8.47 7.74 2oi6A1 GLN 193 HA 0.04 0.30 0.87 -0.75 4.36 4.82 2oi6A1 GLN 193 HB2 0.26 -0.12 -0.02 -0.04 2.15 2.24 2oi6A1 GLN 193 HB3 0.10 0.06 0.06 -0.04 2.02 2.19 2oi6A1 GLN 193 HG2 0.06 0.13 -0.07 -0.04 2.40 2.48 2oi6A1 GLN 193 HG3 0.12 -0.12 -0.19 -0.04 2.39 2.16 2oi6A1 GLN 193 HE21 -0.08 -0.00 -0.02 -0.04 6.97 6.83 2oi6A1 GLN 193 HE22 0.13 -0.07 -0.04 -0.04 7.69 7.67 2oi6A1 GLY 194 H -0.09 0.18 -0.18 -0.55 8.43 7.79 2oi6A1 GLY 194 HA2 -0.16 0.29 0.44 -0.51 4.01 4.08 2oi6A1 GLY 194 HA3 -0.08 0.07 0.44 -0.51 4.01 3.93 2oi6A1 GLU 195 H -0.17 -0.11 -0.19 -0.55 8.60 7.58 2oi6A1 GLU 195 HA -0.08 0.32 0.86 -0.75 4.29 4.63 2oi6A1 GLU 195 HB2 0.25 -0.18 -0.15 -0.04 2.09 1.97 2oi6A1 GLU 195 HB3 0.15 -0.02 -0.08 -0.04 1.99 2.00 2oi6A1 GLU 195 HG2 0.04 0.15 -0.22 -0.04 2.34 2.26 2oi6A1 GLU 195 HG3 0.06 0.15 -0.42 -0.04 2.34 2.09 2oi6A1 TYR 196 H 0.26 0.75 0.34 -0.55 8.29 9.10 2oi6A1 TYR 196 HA -0.04 0.27 0.70 -0.75 4.56 4.74 2oi6A1 TYR 196 HB2 0.13 -0.21 0.07 -0.04 3.06 3.01 2oi6A1 TYR 196 HB3 0.09 0.06 -0.19 -0.04 2.98 2.90 2oi6A1 TYR 196 HD2 0.01 0.08 -0.17 -0.04 7.15 7.03 2oi6A1 TYR 196 HE2 -0.03 0.11 -0.09 -0.04 6.85 6.80 2oi6A1 TYR 197 H 0.04 0.38 0.11 -0.55 8.29 8.26 2oi6A1 TYR 197 HA 0.09 -0.04 0.59 -0.75 4.56 4.45 2oi6A1 TYR 197 HB2 0.05 0.12 0.16 -0.04 3.06 3.34 2oi6A1 TYR 197 HB3 0.05 -0.11 -0.00 -0.04 2.98 2.88 2oi6A1 TYR 197 HD2 0.03 -0.02 -0.20 -0.04 7.15 6.92 2oi6A1 TYR 197 HE2 0.00 0.01 -0.05 -0.04 6.85 6.77 2oi6A1 ILE 198 H 0.20 0.08 0.15 -0.55 8.25 8.13 2oi6A1 ILE 198 HA 0.18 0.20 0.36 -0.75 4.18 4.16 2oi6A1 ILE 198 HB 0.16 -0.01 -0.31 -0.04 1.89 1.69 2oi6A1 ILE 198 HG12 0.16 0.07 -0.08 -0.04 1.49 1.60 2oi6A1 ILE 198 HG13 0.14 0.01 -0.11 -0.04 1.21 1.20 2oi6A1 ILE 198 HG23 0.14 0.00 -0.10 -0.04 0.93 0.93 2oi6A1 ILE 198 HD13 0.18 0.03 -0.01 -0.04 0.88 1.05 2oi6A1 THR 199 H 0.13 -0.05 -0.27 -0.55 8.28 7.54 2oi6A1 THR 199 HA 0.05 0.16 0.25 -0.75 4.39 4.10 2oi6A1 THR 199 HB 0.03 0.06 -0.04 -0.04 4.32 4.33 2oi6A1 THR 199 HG23 0.03 0.00 -0.04 -0.04 1.22 1.17 2oi6A1 ASP 200 H 0.16 0.31 -0.48 -0.55 8.40 7.85 2oi6A1 ASP 200 HA 0.06 0.06 0.49 -0.75 4.63 4.49 2oi6A1 ASP 200 HB2 0.11 0.17 0.06 -0.04 2.71 3.01 2oi6A1 ASP 200 HB3 0.06 0.06 0.06 -0.04 2.70 2.83 2oi6A1 ILE 201 H 0.04 0.46 -0.35 -0.55 8.25 7.85 2oi6A1 ILE 201 HA -0.12 0.11 0.29 -0.75 4.18 3.70 2oi6A1 ILE 201 HB -0.12 0.02 -0.02 -0.04 1.89 1.74 2oi6A1 ILE 201 HG12 0.03 0.15 -0.03 -0.04 1.49 1.60 2oi6A1 ILE 201 HG13 -0.17 0.00 -0.53 -0.04 1.21 0.48 2oi6A1 ILE 201 HG23 0.23 0.03 -0.08 -0.04 0.93 1.07 2oi6A1 ILE 201 HD13 0.23 -0.01 -0.14 -0.04 0.88 0.92 2oi6A1 ILE 202 H -0.09 0.27 -0.45 -0.55 8.25 7.44 2oi6A1 ILE 202 HA -0.23 0.13 0.34 -0.75 4.18 3.66 2oi6A1 ILE 202 HB -0.06 -0.06 0.03 -0.04 1.89 1.76 2oi6A1 ILE 202 HG12 -0.05 -0.02 -0.04 -0.04 1.49 1.34 2oi6A1 ILE 202 HG13 -0.04 -0.04 -0.12 -0.04 1.21 0.97 2oi6A1 ILE 202 HG23 -0.08 0.04 -0.44 -0.04 0.93 0.41 2oi6A1 ILE 202 HD13 -0.07 0.02 -0.19 -0.04 0.88 0.59 2oi6A1 ALA 203 H -0.07 0.09 -0.06 -0.55 8.40 7.82 2oi6A1 ALA 203 HA -0.01 0.39 0.53 -0.75 4.34 4.49 2oi6A1 ALA 203 HB3 -0.01 -0.01 0.17 -0.04 1.41 1.52 2oi6A1 LEU 204 H -0.15 0.31 -0.29 -0.55 8.37 7.70 2oi6A1 LEU 204 HA -0.05 0.03 0.31 -0.75 4.35 3.89 2oi6A1 LEU 204 HB2 -0.30 -0.01 0.09 -0.04 1.64 1.38 2oi6A1 LEU 204 HB3 -0.04 0.02 -0.01 -0.04 1.64 1.57 2oi6A1 LEU 204 HG -0.01 0.06 -0.00 -0.04 1.64 1.66 2oi6A1 LEU 204 HD13 0.12 -0.02 -0.13 -0.04 0.93 0.86 2oi6A1 LEU 204 HD23 0.05 0.00 -0.02 -0.04 0.89 0.89 2oi6A1 ALA 205 H -0.55 0.45 -0.33 -0.55 8.40 7.43 2oi6A1 ALA 205 HA -0.22 0.05 0.47 -0.75 4.34 3.88 2oi6A1 ALA 205 HB3 -0.76 0.02 0.01 -0.04 1.41 0.63 2oi6A1 TYR 206 H -0.02 0.46 -0.12 -0.55 8.29 8.05 2oi6A1 TYR 206 HA -0.05 0.28 0.45 -0.75 4.56 4.49 2oi6A1 TYR 206 HB2 -0.08 0.02 0.15 -0.04 3.06 3.10 2oi6A1 TYR 206 HB3 -0.07 0.07 0.20 -0.04 2.98 3.14 2oi6A1 TYR 206 HD2 -0.03 0.04 0.01 -0.04 7.15 7.13 2oi6A1 TYR 206 HE2 -0.01 -0.04 -0.04 -0.04 6.85 6.72 2oi6A1 GLN 207 H 0.03 0.52 -0.18 -0.55 8.47 8.29 2oi6A1 GLN 207 HA -0.06 0.01 0.39 -0.75 4.36 3.95 2oi6A1 GLN 207 HB2 0.01 -0.07 0.05 -0.04 2.15 2.10 2oi6A1 GLN 207 HB3 0.03 -0.01 0.10 -0.04 2.02 2.10 2oi6A1 GLN 207 HG2 -0.01 0.02 0.18 -0.04 2.40 2.56 2oi6A1 GLN 207 HG3 0.02 0.07 -0.09 -0.04 2.39 2.36 2oi6A1 GLN 207 HE21 0.06 -0.06 -0.01 -0.04 6.97 6.92 2oi6A1 GLN 207 HE22 0.08 0.13 0.06 -0.04 7.69 7.92 2oi6A1 GLU 208 H -0.01 0.29 -0.42 -0.55 8.60 7.92 2oi6A1 GLU 208 HA 0.03 0.02 0.47 -0.75 4.29 4.05 2oi6A1 GLU 208 HB2 0.14 0.12 0.15 -0.04 2.09 2.46 2oi6A1 GLU 208 HB3 0.12 -0.07 0.13 -0.04 1.99 2.13 2oi6A1 GLU 208 HG2 0.13 -0.07 0.03 -0.04 2.34 2.38 2oi6A1 GLU 208 HG3 0.15 0.40 0.15 -0.04 2.34 3.00 2oi6A1 GLY 209 H -0.14 0.41 -0.58 -0.55 8.43 7.58 2oi6A1 GLY 209 HA2 -0.18 0.02 0.29 -0.51 4.01 3.63 2oi6A1 GLY 209 HA3 -0.06 0.06 0.74 -0.51 4.01 4.24 2oi6A1 ARG 210 H -0.00 0.45 0.01 -0.55 8.46 8.37 2oi6A1 ARG 210 HA 0.05 0.07 0.45 -0.75 4.34 4.16 2oi6A1 ARG 210 HB2 0.08 -0.11 -0.07 -0.04 1.90 1.76 2oi6A1 ARG 210 HB3 0.15 0.07 0.08 -0.04 1.80 2.07 2oi6A1 ARG 210 HG2 0.19 -0.02 0.00 -0.04 1.67 1.80 2oi6A1 ARG 210 HG3 0.42 -0.03 0.09 -0.04 1.67 2.10 2oi6A1 ARG 210 HD2 0.13 0.10 0.02 -0.04 3.22 3.44 2oi6A1 ARG 210 HD3 0.08 -0.00 -0.26 -0.04 3.22 3.00 2oi6A1 GLU 211 H 0.06 0.15 0.08 -0.55 8.60 8.34 2oi6A1 GLU 211 HA 0.09 0.19 0.87 -0.75 4.29 4.68 2oi6A1 GLU 211 HB2 0.04 0.05 0.02 -0.04 2.09 2.16 2oi6A1 GLU 211 HB3 0.04 -0.03 0.11 -0.04 1.99 2.08 2oi6A1 GLU 211 HG2 0.04 -0.02 -0.41 -0.04 2.34 1.90 2oi6A1 GLU 211 HG3 0.05 0.01 -0.02 -0.04 2.34 2.34 2oi6A1 ILE 212 H 0.07 0.27 0.17 -0.55 8.25 8.22 2oi6A1 ILE 212 HA 0.01 0.24 1.01 -0.75 4.18 4.68 2oi6A1 ILE 212 HB -0.01 0.07 0.10 -0.04 1.89 2.00 2oi6A1 ILE 212 HG12 -0.08 -0.11 -0.12 -0.04 1.49 1.14 2oi6A1 ILE 212 HG13 -0.04 0.02 -0.28 -0.04 1.21 0.86 2oi6A1 ILE 212 HG23 -0.03 -0.03 -0.22 -0.04 0.93 0.60 2oi6A1 ILE 212 HD13 0.05 0.02 -0.13 -0.04 0.88 0.77 2oi6A1 VAL 213 H 0.00 0.65 0.37 -0.55 8.24 8.72 2oi6A1 VAL 213 HA -0.01 0.10 1.00 -0.75 4.13 4.46 2oi6A1 VAL 213 HB -0.01 0.10 0.08 -0.04 2.12 2.26 2oi6A1 VAL 213 HG13 -0.03 -0.01 -0.08 -0.04 0.97 0.81 2oi6A1 VAL 213 HG23 0.01 -0.00 -0.08 -0.04 0.95 0.83 2oi6A1 ALA 214 H -0.05 0.17 0.21 -0.55 8.40 8.18 2oi6A1 ALA 214 HA -0.07 0.38 1.28 -0.75 4.34 5.18 2oi6A1 ALA 214 HB3 -0.05 -0.03 -0.01 -0.04 1.41 1.28 2oi6A1 VAL 215 H -0.14 0.63 0.45 -0.55 8.24 8.63 2oi6A1 VAL 215 HA -0.35 0.14 0.74 -0.75 4.13 3.90 2oi6A1 VAL 215 HB -0.11 -0.00 0.02 -0.04 2.12 1.99 2oi6A1 VAL 215 HG13 -0.08 0.03 -0.23 -0.04 0.97 0.65 2oi6A1 VAL 215 HG23 -0.07 -0.00 -0.19 -0.04 0.95 0.65 2oi6A1 HIS 216 H -0.20 0.17 0.16 -0.55 8.41 8.00 2oi6A1 HIS 216 HA -0.03 0.37 1.04 -0.75 4.63 5.25 2oi6A1 HIS 216 HB2 -0.02 -0.01 0.04 -0.04 3.26 3.23 2oi6A1 HIS 216 HB3 -0.03 0.02 0.14 -0.04 3.20 3.30 2oi6A1 HIS 216 HD2 -0.01 0.01 -0.02 -0.04 6.97 6.90 2oi6A1 HIS 216 HE1 -0.02 -0.05 -0.23 -0.04 7.75 7.41 2oi6A1 PRO 217 HA 0.01 0.01 0.43 -0.51 4.44 4.37 2oi6A1 PRO 217 HB2 -0.00 0.04 -0.24 -0.04 2.28 2.03 2oi6A1 PRO 217 HB3 -0.01 -0.03 0.03 -0.04 2.02 1.97 2oi6A1 PRO 217 HG2 -0.02 0.01 -0.07 -0.04 2.03 1.91 2oi6A1 PRO 217 HG3 -0.01 0.03 -0.05 -0.04 2.03 1.96 2oi6A1 PRO 217 HD2 0.04 0.05 0.13 -0.04 3.68 3.86 2oi6A1 PRO 217 HD3 0.08 0.46 0.23 -0.04 3.65 4.38 2oi6A1 GLN 218 H 0.00 0.04 0.17 -0.55 8.47 8.14 2oi6A1 GLN 218 HA 0.01 0.15 0.50 -0.75 4.36 4.27 2oi6A1 GLN 218 HB2 0.00 0.01 0.14 -0.04 2.15 2.26 2oi6A1 GLN 218 HB3 -0.00 -0.08 0.13 -0.04 2.02 2.03 2oi6A1 GLN 218 HG2 -0.00 -0.01 0.01 -0.04 2.40 2.36 2oi6A1 GLN 218 HG3 -0.00 0.00 -0.05 -0.04 2.39 2.30 2oi6A1 GLN 218 HE21 0.00 0.02 0.03 -0.04 6.97 6.99 2oi6A1 GLN 218 HE22 0.00 -0.02 0.07 -0.04 7.69 7.70 2oi6A1 ARG 219 H -0.00 0.08 0.00 -0.55 8.46 7.99 2oi6A1 ARG 219 HA -0.01 0.28 0.89 -0.75 4.34 4.75 2oi6A1 ARG 219 HB2 -0.00 -0.05 0.02 -0.04 1.90 1.82 2oi6A1 ARG 219 HB3 -0.01 -0.10 0.02 -0.04 1.80 1.67 2oi6A1 ARG 219 HG2 -0.01 0.06 -0.04 -0.04 1.67 1.65 2oi6A1 ARG 219 HG3 -0.00 0.06 -0.43 -0.04 1.67 1.25 2oi6A1 ARG 219 HD2 -0.00 -0.01 -0.04 -0.04 3.22 3.12 2oi6A1 ARG 219 HD3 -0.01 0.08 -0.04 -0.04 3.22 3.21 2oi6A1 LEU 220 H -0.02 0.24 0.12 -0.55 8.37 8.16 2oi6A1 LEU 220 HA -0.03 0.14 0.36 -0.75 4.35 4.06 2oi6A1 LEU 220 HB2 -0.02 -0.02 0.13 -0.04 1.64 1.69 2oi6A1 LEU 220 HB3 -0.03 0.03 -0.04 -0.04 1.64 1.56 2oi6A1 LEU 220 HG -0.03 0.02 0.04 -0.04 1.64 1.63 2oi6A1 LEU 220 HD13 -0.03 0.02 0.03 -0.04 0.93 0.91 2oi6A1 LEU 220 HD23 -0.06 0.02 -0.04 -0.04 0.89 0.77 2oi6A1 SER 221 H -0.01 0.10 -0.17 -0.55 8.46 7.83 2oi6A1 SER 221 HA -0.00 0.07 0.28 -0.75 4.49 4.08 2oi6A1 SER 221 HB2 0.01 0.05 0.03 -0.04 3.95 4.00 2oi6A1 SER 221 HB3 0.00 0.02 0.07 -0.04 3.93 3.98 2oi6A1 GLU 222 H -0.01 0.18 -0.66 -0.55 8.60 7.57 2oi6A1 GLU 222 HA 0.00 0.12 0.13 -0.75 4.29 3.78 2oi6A1 GLU 222 HB2 -0.01 0.30 0.11 -0.04 2.09 2.45 2oi6A1 GLU 222 HB3 -0.01 -0.00 -0.18 -0.04 1.99 1.75 2oi6A1 GLU 222 HG2 0.00 0.11 0.11 -0.04 2.34 2.52 2oi6A1 GLU 222 HG3 0.00 0.02 0.05 -0.04 2.34 2.37 2oi6A1 VAL 223 H -0.03 0.49 -0.23 -0.55 8.24 7.92 2oi6A1 VAL 223 HA -0.04 0.19 0.86 -0.75 4.13 4.39 2oi6A1 VAL 223 HB -0.08 -0.01 0.17 -0.04 2.12 2.16 2oi6A1 VAL 223 HG13 -0.05 -0.02 -0.16 -0.04 0.97 0.70 2oi6A1 VAL 223 HG23 -0.07 0.01 -0.05 -0.04 0.95 0.80 2oi6A1 GLU 224 H -0.01 0.26 -0.24 -0.55 8.60 8.06 2oi6A1 GLU 224 HA -0.01 0.04 0.59 -0.75 4.29 4.16 2oi6A1 GLU 224 HB2 0.00 0.04 0.09 -0.04 2.09 2.19 2oi6A1 GLU 224 HB3 0.01 0.01 0.01 -0.04 1.99 1.98 2oi6A1 GLU 224 HG2 -0.02 0.10 -0.11 -0.04 2.34 2.26 2oi6A1 GLU 224 HG3 -0.01 -0.13 -0.02 -0.04 2.34 2.15 2oi6A1 GLY 225 H 0.05 0.09 0.20 -0.55 8.43 8.23 2oi6A1 GLY 225 HA2 0.07 0.34 0.81 -0.51 4.01 4.72 2oi6A1 GLY 225 HA3 0.10 -0.05 0.26 -0.51 4.01 3.81 2oi6A1 VAL 226 H 0.04 0.53 0.27 -0.55 8.24 8.53 2oi6A1 VAL 226 HA 0.01 0.09 0.96 -0.75 4.13 4.44 2oi6A1 VAL 226 HB 0.00 0.02 0.12 -0.04 2.12 2.22 2oi6A1 VAL 226 HG13 -0.02 -0.04 -0.17 -0.04 0.97 0.71 2oi6A1 VAL 226 HG23 0.00 0.05 -0.19 -0.04 0.95 0.77 2oi6A1 ASN 227 H -0.00 0.07 0.17 -0.55 8.53 8.23 2oi6A1 ASN 227 HA -0.03 0.18 0.82 -0.75 4.76 4.98 2oi6A1 ASN 227 HB2 -0.01 0.02 0.01 -0.04 2.88 2.86 2oi6A1 ASN 227 HB3 -0.03 -0.05 0.06 -0.04 2.79 2.73 2oi6A1 ASN 227 HD21 0.01 0.03 -0.08 -0.04 7.03 6.95 2oi6A1 ASN 227 HD22 0.00 0.02 -0.05 -0.04 7.74 7.67 2oi6A1 ASN 228 H -0.01 0.06 0.20 -0.55 8.53 8.23 2oi6A1 ASN 228 HA -0.03 0.29 0.51 -0.75 4.76 4.78 2oi6A1 ASN 228 HB2 0.04 0.12 0.20 -0.04 2.88 3.21 2oi6A1 ASN 228 HB3 0.01 0.09 -0.16 -0.04 2.79 2.69 2oi6A1 ASN 228 HD21 0.02 0.05 0.00 -0.04 7.03 7.06 2oi6A1 ASN 228 HD22 0.02 0.09 -0.05 -0.04 7.74 7.76 2oi6A1 ARG 229 H 0.03 0.35 0.20 -0.55 8.46 8.48 2oi6A1 ARG 229 HA 0.00 0.09 0.37 -0.75 4.34 4.04 2oi6A1 ARG 229 HB2 0.05 0.06 0.20 -0.04 1.90 2.17 2oi6A1 ARG 229 HB3 0.04 0.04 0.02 -0.04 1.80 1.86 2oi6A1 ARG 229 HG2 0.07 0.03 0.06 -0.04 1.67 1.79 2oi6A1 ARG 229 HG3 0.02 -0.05 0.05 -0.04 1.67 1.64 2oi6A1 ARG 229 HD2 0.06 0.10 0.13 -0.04 3.22 3.47 2oi6A1 ARG 229 HD3 0.08 0.02 0.07 -0.04 3.22 3.35 2oi6A1 LEU 230 H 0.02 0.11 -0.14 -0.55 8.37 7.82 2oi6A1 LEU 230 HA 0.02 0.13 0.43 -0.75 4.35 4.18 2oi6A1 LEU 230 HB2 0.02 0.06 0.10 -0.04 1.64 1.78 2oi6A1 LEU 230 HB3 0.02 -0.06 0.08 -0.04 1.64 1.64 2oi6A1 LEU 230 HG 0.02 -0.00 -0.22 -0.04 1.64 1.40 2oi6A1 LEU 230 HD13 0.01 0.01 0.04 -0.04 0.93 0.95 2oi6A1 LEU 230 HD23 0.01 0.02 -0.01 -0.04 0.89 0.87 2oi6A1 GLN 231 H 0.01 0.07 -0.15 -0.55 8.47 7.85 2oi6A1 GLN 231 HA 0.01 0.09 0.44 -0.75 4.36 4.15 2oi6A1 GLN 231 HB2 0.01 -0.08 0.22 -0.04 2.15 2.25 2oi6A1 GLN 231 HB3 0.01 0.16 0.11 -0.04 2.02 2.27 2oi6A1 GLN 231 HG2 0.02 0.09 0.05 -0.04 2.40 2.52 2oi6A1 GLN 231 HG3 0.01 -0.09 0.07 -0.04 2.39 2.35 2oi6A1 GLN 231 HE21 0.02 0.02 0.01 -0.04 6.97 6.99 2oi6A1 GLN 231 HE22 0.02 0.04 0.02 -0.04 7.69 7.74 2oi6A1 LEU 232 H 0.00 0.33 -0.17 -0.55 8.37 7.99 2oi6A1 LEU 232 HA -0.00 0.05 0.42 -0.75 4.35 4.07 2oi6A1 LEU 232 HB2 -0.00 -0.03 0.04 -0.04 1.64 1.61 2oi6A1 LEU 232 HB3 0.01 0.12 0.17 -0.04 1.64 1.90 2oi6A1 LEU 232 HG 0.02 -0.00 -0.16 -0.04 1.64 1.45 2oi6A1 LEU 232 HD13 -0.00 0.01 -0.07 -0.04 0.93 0.83 2oi6A1 LEU 232 HD23 0.07 0.03 -0.07 -0.04 0.89 0.88 2oi6A1 SER 233 H 0.02 0.62 -0.04 -0.55 8.46 8.50 2oi6A1 SER 233 HA 0.02 0.00 0.39 -0.75 4.49 4.14 2oi6A1 SER 233 HB2 0.02 -0.03 0.08 -0.04 3.95 3.98 2oi6A1 SER 233 HB3 0.02 0.03 0.16 -0.04 3.93 4.09 2oi6A1 ARG 234 H 0.01 0.45 -0.22 -0.55 8.46 8.15 2oi6A1 ARG 234 HA 0.02 0.04 0.57 -0.75 4.34 4.21 2oi6A1 ARG 234 HB2 0.01 0.13 0.18 -0.04 1.90 2.18 2oi6A1 ARG 234 HB3 0.01 -0.05 0.02 -0.04 1.80 1.75 2oi6A1 ARG 234 HG2 0.01 -0.02 0.05 -0.04 1.67 1.68 2oi6A1 ARG 234 HG3 0.01 0.06 0.07 -0.04 1.67 1.78 2oi6A1 ARG 234 HD2 0.01 -0.03 -0.04 -0.04 3.22 3.12 2oi6A1 ARG 234 HD3 0.01 -0.01 0.01 -0.04 3.22 3.18 2oi6A1 LEU 235 H 0.01 0.52 -0.06 -0.55 8.37 8.29 2oi6A1 LEU 235 HA 0.02 -0.00 0.51 -0.75 4.35 4.12 2oi6A1 LEU 235 HB2 -0.02 0.11 0.13 -0.04 1.64 1.82 2oi6A1 LEU 235 HB3 -0.02 -0.04 0.04 -0.04 1.64 1.58 2oi6A1 LEU 235 HG 0.00 0.15 0.04 -0.04 1.64 1.80 2oi6A1 LEU 235 HD13 -0.01 -0.01 -0.11 -0.04 0.93 0.76 2oi6A1 LEU 235 HD23 0.01 -0.02 -0.01 -0.04 0.89 0.83 2oi6A1 GLU 236 H 0.01 0.57 -0.12 -0.55 8.60 8.50 2oi6A1 GLU 236 HA -0.00 -0.02 0.46 -0.75 4.29 3.98 2oi6A1 GLU 236 HB2 -0.00 0.01 0.13 -0.04 2.09 2.19 2oi6A1 GLU 236 HB3 0.02 0.22 0.21 -0.04 1.99 2.40 2oi6A1 GLU 236 HG2 0.01 0.02 0.02 -0.04 2.34 2.35 2oi6A1 GLU 236 HG3 0.03 0.02 -0.15 -0.04 2.34 2.20 2oi6A1 ARG 237 H 0.03 0.44 -0.18 -0.55 8.46 8.20 2oi6A1 ARG 237 HA 0.05 0.04 0.50 -0.75 4.34 4.18 2oi6A1 ARG 237 HB2 0.03 0.12 0.22 -0.04 1.90 2.23 2oi6A1 ARG 237 HB3 0.03 -0.04 0.04 -0.04 1.80 1.79 2oi6A1 ARG 237 HG2 0.03 0.12 0.11 -0.04 1.67 1.89 2oi6A1 ARG 237 HG3 0.02 -0.03 0.06 -0.04 1.67 1.68 2oi6A1 ARG 237 HD2 0.03 0.01 0.05 -0.04 3.22 3.27 2oi6A1 ARG 237 HD3 0.04 -0.02 0.10 -0.04 3.22 3.30 2oi6A1 VAL 238 H 0.04 0.49 -0.08 -0.55 8.24 8.14 2oi6A1 VAL 238 HA 0.03 0.01 0.44 -0.75 4.13 3.85 2oi6A1 VAL 238 HB 0.04 0.10 0.20 -0.04 2.12 2.43 2oi6A1 VAL 238 HG13 0.02 -0.03 -0.09 -0.04 0.97 0.83 2oi6A1 VAL 238 HG23 0.02 0.05 0.07 -0.04 0.95 1.05 2oi6A1 TYR 239 H 0.16 0.62 -0.14 -0.55 8.29 8.37 2oi6A1 TYR 239 HA 0.00 -0.01 0.35 -0.75 4.56 4.15 2oi6A1 TYR 239 HB2 -0.04 0.04 0.12 -0.04 3.06 3.13 2oi6A1 TYR 239 HB3 -0.01 0.09 0.20 -0.04 2.98 3.22 2oi6A1 TYR 239 HD2 -0.00 0.00 -0.09 -0.04 7.15 7.02 2oi6A1 TYR 239 HE2 0.08 0.07 0.03 -0.04 6.85 6.99 2oi6A1 GLN 240 H 0.18 0.62 -0.01 -0.55 8.47 8.72 2oi6A1 GLN 240 HA 0.12 -0.02 0.51 -0.75 4.36 4.22 2oi6A1 GLN 240 HB2 0.08 0.03 0.24 -0.04 2.15 2.46 2oi6A1 GLN 240 HB3 0.09 0.13 0.17 -0.04 2.02 2.36 2oi6A1 GLN 240 HG2 0.14 0.19 0.17 -0.04 2.40 2.86 2oi6A1 GLN 240 HG3 0.05 -0.04 0.09 -0.04 2.39 2.45 2oi6A1 GLN 240 HE21 0.13 0.42 0.09 -0.04 6.97 7.57 2oi6A1 GLN 240 HE22 0.09 -0.12 0.08 -0.04 7.69 7.70 2oi6A1 SER 241 H 0.05 0.72 -0.06 -0.55 8.46 8.63 2oi6A1 SER 241 HA 0.04 0.05 0.48 -0.75 4.49 4.30 2oi6A1 SER 241 HB2 0.02 0.10 0.22 -0.04 3.95 4.25 2oi6A1 SER 241 HB3 0.01 -0.09 0.02 -0.04 3.93 3.83 2oi6A1 GLU 242 H -0.03 0.66 -0.03 -0.55 8.60 8.66 2oi6A1 GLU 242 HA -0.04 -0.01 0.53 -0.75 4.29 4.02 2oi6A1 GLU 242 HB2 -0.15 0.09 0.12 -0.04 2.09 2.10 2oi6A1 GLU 242 HB3 -0.07 -0.07 0.07 -0.04 1.99 1.87 2oi6A1 GLU 242 HG2 -0.03 -0.09 0.05 -0.04 2.34 2.23 2oi6A1 GLU 242 HG3 -0.03 0.60 0.16 -0.04 2.34 3.03 2oi6A1 GLN 243 H -0.18 0.69 0.02 -0.55 8.47 8.46 2oi6A1 GLN 243 HA -0.11 -0.00 0.50 -0.75 4.36 4.00 2oi6A1 GLN 243 HB2 -0.02 0.08 0.20 -0.04 2.15 2.36 2oi6A1 GLN 243 HB3 0.01 -0.05 0.05 -0.04 2.02 1.98 2oi6A1 GLN 243 HG2 -0.80 0.19 0.14 -0.04 2.40 1.89 2oi6A1 GLN 243 HG3 -0.37 -0.00 0.05 -0.04 2.39 2.03 2oi6A1 GLN 243 HE21 -0.15 -0.02 -0.00 -0.04 6.97 6.75 2oi6A1 GLN 243 HE22 -0.42 -0.01 -0.02 -0.04 7.69 7.20 2oi6A1 ALA 244 H 0.04 0.75 -0.08 -0.55 8.40 8.57 2oi6A1 ALA 244 HA -0.05 -0.03 0.40 -0.75 4.34 3.90 2oi6A1 ALA 244 HB3 0.07 0.01 0.17 -0.04 1.41 1.62 2oi6A1 GLU 245 H -0.03 0.61 -0.09 -0.55 8.60 8.55 2oi6A1 GLU 245 HA -0.04 -0.01 0.42 -0.75 4.29 3.90 2oi6A1 GLU 245 HB2 -0.03 0.07 0.15 -0.04 2.09 2.24 2oi6A1 GLU 245 HB3 -0.03 -0.06 0.06 -0.04 1.99 1.92 2oi6A1 GLU 245 HG2 -0.02 -0.08 0.06 -0.04 2.34 2.26 2oi6A1 GLU 245 HG3 -0.02 0.32 0.10 -0.04 2.34 2.71 2oi6A1 LYS 246 H -0.04 0.58 -0.10 -0.55 8.42 8.31 2oi6A1 LYS 246 HA -0.03 -0.01 0.52 -0.75 4.32 4.05 2oi6A1 LYS 246 HB2 -0.04 0.17 0.22 -0.04 1.87 2.19 2oi6A1 LYS 246 HB3 -0.02 -0.05 0.01 -0.04 1.79 1.70 2oi6A1 LYS 246 HG2 -0.02 -0.06 0.06 -0.04 1.46 1.40 2oi6A1 LYS 246 HG3 -0.04 0.07 0.10 -0.04 1.46 1.54 2oi6A1 LYS 246 HD2 -0.07 0.02 -0.02 -0.04 1.69 1.58 2oi6A1 LYS 246 HD3 -0.03 -0.01 0.02 -0.04 1.68 1.62 2oi6A1 LYS 246 HE2 -0.04 -0.02 -0.01 -0.04 2.99 2.88 2oi6A1 LYS 246 HE3 -0.02 -0.02 0.01 -0.04 2.99 2.92 2oi6A1 LEU 247 H -0.07 0.60 -0.11 -0.55 8.37 8.25 2oi6A1 LEU 247 HA -0.09 -0.00 0.40 -0.75 4.35 3.91 2oi6A1 LEU 247 HB2 -0.19 0.15 0.18 -0.04 1.64 1.74 2oi6A1 LEU 247 HB3 -0.27 -0.05 -0.04 -0.04 1.64 1.24 2oi6A1 LEU 247 HG -0.03 0.07 0.02 -0.04 1.64 1.66 2oi6A1 LEU 247 HD13 -0.06 -0.03 -0.12 -0.04 0.93 0.68 2oi6A1 LEU 247 HD23 -0.11 -0.01 -0.04 -0.04 0.89 0.69 2oi6A1 LEU 248 H -0.11 0.59 -0.03 -0.55 8.37 8.28 2oi6A1 LEU 248 HA -0.11 0.30 0.51 -0.75 4.35 4.29 2oi6A1 LEU 248 HB2 -0.06 0.08 0.21 -0.04 1.64 1.82 2oi6A1 LEU 248 HB3 -0.06 -0.07 0.03 -0.04 1.64 1.50 2oi6A1 LEU 248 HG -0.14 0.08 0.12 -0.04 1.64 1.65 2oi6A1 LEU 248 HD13 -0.06 -0.04 -0.03 -0.04 0.93 0.76 2oi6A1 LEU 248 HD23 -0.09 0.07 0.17 -0.04 0.89 0.99 2oi6A1 LEU 249 H -0.05 0.60 -0.12 -0.55 8.37 8.25 2oi6A1 LEU 249 HA -0.02 -0.00 0.44 -0.75 4.35 4.01 2oi6A1 LEU 249 HB2 -0.02 0.09 0.19 -0.04 1.64 1.86 2oi6A1 LEU 249 HB3 -0.01 -0.07 0.08 -0.04 1.64 1.60 2oi6A1 LEU 249 HG -0.03 0.13 0.09 -0.04 1.64 1.80 2oi6A1 LEU 249 HD13 -0.02 -0.03 -0.01 -0.04 0.93 0.83 2oi6A1 LEU 249 HD23 -0.02 -0.02 0.02 -0.04 0.89 0.83 2oi6A1 ALA 250 H -0.03 0.50 -0.22 -0.55 8.40 8.11 2oi6A1 ALA 250 HA 0.03 0.02 0.56 -0.75 4.34 4.20 2oi6A1 ALA 250 HB3 0.08 -0.01 0.13 -0.04 1.41 1.56 2oi6A1 GLY 251 H -0.04 0.44 -0.46 -0.55 8.43 7.83 2oi6A1 GLY 251 HA2 -0.02 -0.01 0.27 -0.51 4.01 3.74 2oi6A1 GLY 251 HA3 0.02 0.11 0.89 -0.51 4.01 4.53 2oi6A1 VAL 252 H -0.15 0.58 0.05 -0.55 8.24 8.18 2oi6A1 VAL 252 HA -0.16 0.10 0.77 -0.75 4.13 4.10 2oi6A1 VAL 252 HB -0.30 -0.04 -0.14 -0.04 2.12 1.59 2oi6A1 VAL 252 HG13 -0.26 -0.02 -0.33 -0.04 0.97 0.32 2oi6A1 VAL 252 HG23 -0.77 0.01 -0.15 -0.04 0.95 -0.01 2oi6A1 MET 253 H -0.10 0.62 0.21 -0.55 8.47 8.66 2oi6A1 MET 253 HA -0.10 0.12 0.70 -0.75 4.52 4.49 2oi6A1 MET 253 HB2 -0.05 0.03 0.04 -0.04 2.15 2.13 2oi6A1 MET 253 HB3 -0.06 -0.06 0.20 -0.04 2.03 2.07 2oi6A1 MET 253 HG2 -0.04 -0.03 -0.07 -0.04 2.63 2.45 2oi6A1 MET 253 HG3 -0.05 -0.05 -0.30 -0.04 2.56 2.12 2oi6A1 MET 253 HE3 -0.04 -0.01 -0.10 -0.04 2.10 1.91 2oi6A1 LEU 254 H -0.12 0.26 0.16 -0.55 8.37 8.12 2oi6A1 LEU 254 HA -0.15 0.26 0.84 -0.75 4.35 4.55 2oi6A1 LEU 254 HB2 -0.15 -0.03 0.06 -0.04 1.64 1.49 2oi6A1 LEU 254 HB3 -0.17 -0.05 -0.19 -0.04 1.64 1.20 2oi6A1 LEU 254 HG -0.33 0.11 -0.20 -0.04 1.64 1.18 2oi6A1 LEU 254 HD13 -0.47 -0.00 -0.02 -0.04 0.93 0.40 2oi6A1 LEU 254 HD23 -0.72 0.02 -0.23 -0.04 0.89 -0.07 2oi6A1 ARG 255 H -0.04 0.68 0.17 -0.55 8.46 8.72 2oi6A1 ARG 255 HA -0.03 0.08 0.39 -0.75 4.34 4.02 2oi6A1 ARG 255 HB2 -0.01 -0.10 0.05 -0.04 1.90 1.80 2oi6A1 ARG 255 HB3 -0.01 -0.02 0.03 -0.04 1.80 1.76 2oi6A1 ARG 255 HG2 -0.03 0.16 -0.16 -0.04 1.67 1.60 2oi6A1 ARG 255 HG3 -0.02 -0.08 -0.02 -0.04 1.67 1.51 2oi6A1 ARG 255 HD2 -0.02 -0.02 -0.02 -0.04 3.22 3.12 2oi6A1 ARG 255 HD3 -0.03 0.04 -0.07 -0.04 3.22 3.11 2oi6A1 ASP 256 H 0.00 0.17 -0.38 -0.55 8.40 7.65 2oi6A1 ASP 256 HA 0.00 0.22 0.36 -0.75 4.63 4.47 2oi6A1 ASP 256 HB2 0.01 0.12 0.00 -0.04 2.71 2.80 2oi6A1 ASP 256 HB3 0.03 -0.06 0.14 -0.04 2.70 2.77 2oi6A1 PRO 257 HA 0.03 0.09 0.29 -0.51 4.44 4.34 2oi6A1 PRO 257 HB2 0.01 0.02 -0.07 -0.04 2.28 2.21 2oi6A1 PRO 257 HB3 -0.02 0.05 0.03 -0.04 2.02 2.04 2oi6A1 PRO 257 HG2 -0.02 0.04 0.02 -0.04 2.03 2.04 2oi6A1 PRO 257 HG3 -0.04 0.12 0.03 -0.04 2.03 2.10 2oi6A1 PRO 257 HD2 0.00 0.06 0.08 -0.04 3.68 3.78 2oi6A1 PRO 257 HD3 -0.02 0.29 -0.09 -0.04 3.65 3.79 2oi6A1 ALA 258 H 0.03 0.07 -0.40 -0.55 8.40 7.56 2oi6A1 ALA 258 HA 0.05 0.14 0.58 -0.75 4.34 4.36 2oi6A1 ALA 258 HB3 0.03 -0.00 0.04 -0.04 1.41 1.44 2oi6A1 ARG 259 H 0.08 0.60 -0.40 -0.55 8.46 8.19 2oi6A1 ARG 259 HA 0.05 0.22 0.90 -0.75 4.34 4.75 2oi6A1 ARG 259 HB2 0.05 0.01 0.20 -0.04 1.90 2.11 2oi6A1 ARG 259 HB3 0.05 -0.20 0.28 -0.04 1.80 1.88 2oi6A1 ARG 259 HG2 0.04 0.09 0.00 -0.04 1.67 1.76 2oi6A1 ARG 259 HG3 0.04 -0.04 -0.27 -0.04 1.67 1.36 2oi6A1 ARG 259 HD2 0.04 -0.04 0.03 -0.04 3.22 3.20 2oi6A1 ARG 259 HD3 0.03 0.03 -0.01 -0.04 3.22 3.23 2oi6A1 PHE 260 H 0.12 0.35 -0.25 -0.55 8.34 8.01 2oi6A1 PHE 260 HA 0.00 0.20 0.66 -0.75 4.62 4.73 2oi6A1 PHE 260 HB2 -0.01 0.03 -0.16 -0.04 3.15 2.97 2oi6A1 PHE 260 HB3 -0.01 0.07 -0.01 -0.04 3.06 3.08 2oi6A1 PHE 260 HD2 -0.01 0.02 -0.11 -0.04 7.28 7.14 2oi6A1 PHE 260 HE2 -0.01 -0.02 -0.20 -0.04 7.38 7.11 2oi6A1 PHE 260 HZ -0.01 -0.02 -0.19 -0.04 7.32 7.06 2oi6A1 ASP 261 H -0.72 0.56 0.23 -0.55 8.40 7.92 2oi6A1 ASP 261 HA -0.23 0.17 1.00 -0.75 4.63 4.81 2oi6A1 ASP 261 HB2 -0.19 0.00 0.08 -0.04 2.71 2.57 2oi6A1 ASP 261 HB3 -0.12 -0.02 -0.06 -0.04 2.70 2.46 2oi6A1 LEU 262 H -0.11 0.24 0.13 -0.55 8.37 8.08 2oi6A1 LEU 262 HA -0.16 0.19 0.95 -0.75 4.35 4.58 2oi6A1 LEU 262 HB2 0.15 0.02 -0.09 -0.04 1.64 1.68 2oi6A1 LEU 262 HB3 0.14 -0.02 0.10 -0.04 1.64 1.82 2oi6A1 LEU 262 HG 0.12 -0.01 -0.27 -0.04 1.64 1.44 2oi6A1 LEU 262 HD13 0.08 0.01 -0.34 -0.04 0.93 0.64 2oi6A1 LEU 262 HD23 0.15 -0.01 -0.06 -0.04 0.89 0.94 2oi6A1 ARG 263 H -0.03 0.91 0.15 -0.55 8.46 8.94 2oi6A1 ARG 263 HA 0.04 0.26 0.88 -0.75 4.34 4.76 2oi6A1 ARG 263 HB2 -0.02 -0.02 0.17 -0.04 1.90 1.99 2oi6A1 ARG 263 HB3 -0.01 -0.01 -0.16 -0.04 1.80 1.58 2oi6A1 ARG 263 HG2 -0.01 -0.10 -0.27 -0.04 1.67 1.25 2oi6A1 ARG 263 HG3 -0.05 -0.04 -0.47 -0.04 1.67 1.07 2oi6A1 ARG 263 HD2 -0.03 0.04 -0.15 -0.04 3.22 3.04 2oi6A1 ARG 263 HD3 -0.02 -0.05 -0.12 -0.04 3.22 2.98 2oi6A1 GLY 264 H 0.08 0.32 -0.09 -0.55 8.43 8.19 2oi6A1 GLY 264 HA2 0.02 0.00 0.28 -0.51 4.01 3.81 2oi6A1 GLY 264 HA3 0.02 0.20 0.74 -0.51 4.01 4.46 2oi6A1 THR 265 H 0.03 0.54 0.17 -0.55 8.28 8.48 2oi6A1 THR 265 HA 0.06 0.20 1.03 -0.75 4.39 4.93 2oi6A1 THR 265 HB 0.02 -0.08 0.07 -0.04 4.32 4.30 2oi6A1 THR 265 HG23 0.03 0.01 -0.18 -0.04 1.22 1.03 2oi6A1 LEU 266 H 0.08 0.21 0.12 -0.55 8.37 8.23 2oi6A1 LEU 266 HA 0.07 0.31 1.19 -0.75 4.35 5.16 2oi6A1 LEU 266 HB2 0.12 -0.03 -0.14 -0.04 1.64 1.55 2oi6A1 LEU 266 HB3 0.12 -0.02 0.07 -0.04 1.64 1.77 2oi6A1 LEU 266 HG 0.13 0.00 -0.44 -0.04 1.64 1.30 2oi6A1 LEU 266 HD13 0.08 0.03 -0.08 -0.04 0.93 0.91 2oi6A1 LEU 266 HD23 0.10 -0.02 -0.16 -0.04 0.89 0.77 2oi6A1 THR 267 H 0.05 0.81 0.44 -0.55 8.28 9.03 2oi6A1 THR 267 HA 0.01 0.12 0.77 -0.75 4.39 4.53 2oi6A1 THR 267 HB 0.01 0.02 0.23 -0.04 4.32 4.54 2oi6A1 THR 267 HG23 -0.04 -0.02 -0.11 -0.04 1.22 1.01 2oi6A1 HIS 268 H -0.25 0.24 0.22 -0.55 8.41 8.08 2oi6A1 HIS 268 HA -0.04 0.29 0.88 -0.75 4.63 5.01 2oi6A1 HIS 268 HB2 -0.02 0.03 0.01 -0.04 3.26 3.24 2oi6A1 HIS 268 HB3 -0.01 -0.01 -0.36 -0.04 3.20 2.77 2oi6A1 HIS 268 HD2 -0.01 0.05 -0.13 -0.04 6.97 6.85 2oi6A1 HIS 268 HE1 -0.01 0.16 -0.10 -0.04 7.75 7.76 2oi6A1 GLY 269 H 0.03 0.36 0.04 -0.55 8.43 8.32 2oi6A1 GLY 269 HA2 -0.10 0.12 0.67 -0.51 4.01 4.19 2oi6A1 GLY 269 HA3 -0.26 -0.13 0.14 -0.51 4.01 3.26 2oi6A1 ARG 270 H 0.77 0.02 0.18 -0.55 8.46 8.88 2oi6A1 ARG 270 HA 0.15 0.29 0.71 -0.75 4.34 4.73 2oi6A1 ARG 270 HB2 0.05 -0.06 0.08 -0.04 1.90 1.93 2oi6A1 ARG 270 HB3 0.05 0.05 0.13 -0.04 1.80 1.99 2oi6A1 ARG 270 HG2 0.09 0.12 0.01 -0.04 1.67 1.85 2oi6A1 ARG 270 HG3 0.20 -0.09 0.08 -0.04 1.67 1.83 2oi6A1 ARG 270 HD2 -0.03 -0.02 0.04 -0.04 3.22 3.17 2oi6A1 ARG 270 HD3 -0.07 -0.02 0.04 -0.04 3.22 3.13 2oi6A1 ASP 271 H 0.04 0.29 0.24 -0.55 8.40 8.42 2oi6A1 ASP 271 HA 0.00 0.15 0.41 -0.75 4.63 4.44 2oi6A1 ASP 271 HB2 0.03 -0.00 -0.15 -0.04 2.71 2.55 2oi6A1 ASP 271 HB3 0.01 0.03 0.23 -0.04 2.70 2.92 2oi6A1 VAL 272 H 0.02 0.15 -0.24 -0.55 8.24 7.62 2oi6A1 VAL 272 HA 0.01 0.17 0.59 -0.75 4.13 4.15 2oi6A1 VAL 272 HB -0.06 -0.03 0.01 -0.04 2.12 2.00 2oi6A1 VAL 272 HG13 -0.03 0.00 -0.25 -0.04 0.97 0.65 2oi6A1 VAL 272 HG23 0.05 -0.04 -0.15 -0.04 0.95 0.77 2oi6A1 GLU 273 H -0.02 0.70 0.32 -0.55 8.60 9.05 2oi6A1 GLU 273 HA -0.06 0.20 0.96 -0.75 4.29 4.64 2oi6A1 GLU 273 HB2 -0.03 -0.08 0.10 -0.04 2.09 2.05 2oi6A1 GLU 273 HB3 -0.03 -0.04 -0.04 -0.04 1.99 1.84 2oi6A1 GLU 273 HG2 -0.03 -0.00 -0.15 -0.04 2.34 2.11 2oi6A1 GLU 273 HG3 -0.02 0.14 -0.25 -0.04 2.34 2.17 2oi6A1 ILE 274 H -0.07 0.73 0.24 -0.55 8.25 8.60 2oi6A1 ILE 274 HA -0.02 0.15 1.04 -0.75 4.18 4.60 2oi6A1 ILE 274 HB -0.12 -0.01 0.08 -0.04 1.89 1.80 2oi6A1 ILE 274 HG12 -0.00 0.03 -0.25 -0.04 1.49 1.23 2oi6A1 ILE 274 HG13 -0.07 -0.05 -0.52 -0.04 1.21 0.52 2oi6A1 ILE 274 HG23 0.15 0.04 -0.11 -0.04 0.93 0.97 2oi6A1 ILE 274 HD13 -0.03 -0.01 -0.21 -0.04 0.88 0.60 2oi6A1 ASP 275 H -0.02 0.79 0.23 -0.55 8.40 8.85 2oi6A1 ASP 275 HA -0.02 0.01 0.56 -0.75 4.63 4.43 2oi6A1 ASP 275 HB2 -0.04 0.15 0.17 -0.04 2.71 2.95 2oi6A1 ASP 275 HB3 -0.05 -0.00 -0.06 -0.04 2.70 2.54 2oi6A1 THR 276 H -0.01 0.06 0.14 -0.55 8.28 7.92 2oi6A1 THR 276 HA 0.04 0.17 0.44 -0.75 4.39 4.29 2oi6A1 THR 276 HB 0.03 0.04 0.10 -0.04 4.32 4.45 2oi6A1 THR 276 HG23 0.01 0.00 0.03 -0.04 1.22 1.22 2oi6A1 ASN 277 H 0.05 0.47 0.34 -0.55 8.53 8.84 2oi6A1 ASN 277 HA 0.03 0.05 0.26 -0.75 4.76 4.34 2oi6A1 ASN 277 HB2 0.03 -0.01 -0.12 -0.04 2.88 2.74 2oi6A1 ASN 277 HB3 0.05 0.03 0.19 -0.04 2.79 3.02 2oi6A1 ASN 277 HD21 0.05 0.01 -0.03 -0.04 7.03 7.02 2oi6A1 ASN 277 HD22 0.07 -0.01 -0.11 -0.04 7.74 7.64 2oi6A1 VAL 278 H 0.08 0.23 -0.13 -0.55 8.24 7.87 2oi6A1 VAL 278 HA -0.01 0.32 0.77 -0.75 4.13 4.46 2oi6A1 VAL 278 HB 0.19 -0.01 -0.00 -0.04 2.12 2.25 2oi6A1 VAL 278 HG13 0.06 -0.01 -0.22 -0.04 0.97 0.77 2oi6A1 VAL 278 HG23 0.00 -0.04 -0.20 -0.04 0.95 0.67 2oi6A1 ILE 279 H -0.04 0.71 0.32 -0.55 8.25 8.70 2oi6A1 ILE 279 HA -0.23 0.20 0.99 -0.75 4.18 4.39 2oi6A1 ILE 279 HB -0.04 -0.02 0.11 -0.04 1.89 1.91 2oi6A1 ILE 279 HG12 -0.09 -0.04 -0.13 -0.04 1.49 1.20 2oi6A1 ILE 279 HG13 -0.05 0.05 -0.54 -0.04 1.21 0.63 2oi6A1 ILE 279 HG23 -0.07 -0.02 -0.21 -0.04 0.93 0.58 2oi6A1 ILE 279 HD13 -0.01 -0.01 -0.10 -0.04 0.88 0.71 2oi6A1 ILE 280 H -0.23 0.69 0.31 -0.55 8.25 8.47 2oi6A1 ILE 280 HA -0.02 0.25 1.06 -0.75 4.18 4.72 2oi6A1 ILE 280 HB -0.02 -0.10 0.12 -0.04 1.89 1.84 2oi6A1 ILE 280 HG12 0.01 -0.01 -0.23 -0.04 1.49 1.21 2oi6A1 ILE 280 HG13 0.23 -0.00 -0.14 -0.04 1.21 1.25 2oi6A1 ILE 280 HG23 0.05 0.01 -0.23 -0.04 0.93 0.71 2oi6A1 ILE 280 HD13 0.07 0.02 -0.18 -0.04 0.88 0.75 2oi6A1 GLU 281 H -0.01 0.83 0.35 -0.55 8.60 9.23 2oi6A1 GLU 281 HA -0.01 0.25 1.00 -0.75 4.29 4.77 2oi6A1 GLU 281 HB2 -0.01 -0.05 -0.01 -0.04 2.09 1.98 2oi6A1 GLU 281 HB3 -0.01 0.01 0.07 -0.04 1.99 2.01 2oi6A1 GLU 281 HG2 -0.03 0.04 -0.24 -0.04 2.34 2.08 2oi6A1 GLU 281 HG3 -0.03 -0.03 -0.47 -0.04 2.34 1.78 2oi6A1 GLY 282 H -0.00 0.52 0.34 -0.55 8.43 8.74 2oi6A1 GLY 282 HA2 -0.00 0.07 0.47 -0.51 4.01 4.03 2oi6A1 GLY 282 HA3 0.00 -0.01 0.63 -0.51 4.01 4.12 2oi6A1 ASN 283 H 0.00 0.13 0.28 -0.55 8.53 8.40 2oi6A1 ASN 283 HA 0.02 0.19 0.88 -0.75 4.76 5.10 2oi6A1 ASN 283 HB2 0.00 -0.02 0.18 -0.04 2.88 3.00 2oi6A1 ASN 283 HB3 0.01 0.05 -0.02 -0.04 2.79 2.79 2oi6A1 ASN 283 HD21 -0.00 0.02 -0.00 -0.04 7.03 7.01 2oi6A1 ASN 283 HD22 -0.00 0.01 0.03 -0.04 7.74 7.75 2oi6A1 VAL 284 H 0.03 0.77 0.35 -0.55 8.24 8.84 2oi6A1 VAL 284 HA 0.01 0.29 1.01 -0.75 4.13 4.69 2oi6A1 VAL 284 HB 0.04 0.03 0.03 -0.04 2.12 2.17 2oi6A1 VAL 284 HG13 0.03 0.00 -0.23 -0.04 0.97 0.74 2oi6A1 VAL 284 HG23 0.02 -0.02 -0.35 -0.04 0.95 0.55 2oi6A1 THR 285 H 0.01 0.54 0.34 -0.55 8.28 8.62 2oi6A1 THR 285 HA 0.01 0.16 0.96 -0.75 4.39 4.77 2oi6A1 THR 285 HB -0.01 -0.06 0.17 -0.04 4.32 4.39 2oi6A1 THR 285 HG23 -0.02 -0.00 -0.19 -0.04 1.22 0.96 2oi6A1 LEU 286 H 0.02 0.67 0.21 -0.55 8.37 8.72 2oi6A1 LEU 286 HA 0.00 0.19 1.02 -0.75 4.35 4.81 2oi6A1 LEU 286 HB2 0.06 -0.03 0.17 -0.04 1.64 1.79 2oi6A1 LEU 286 HB3 0.02 -0.00 -0.00 -0.04 1.64 1.61 2oi6A1 LEU 286 HG 0.05 0.04 -0.20 -0.04 1.64 1.49 2oi6A1 LEU 286 HD13 0.03 -0.01 -0.16 -0.04 0.93 0.76 2oi6A1 LEU 286 HD23 0.02 0.03 -0.20 -0.04 0.89 0.69 2oi6A1 GLY 287 H -0.02 0.58 0.10 -0.55 8.43 8.55 2oi6A1 GLY 287 HA2 -0.15 0.06 0.38 -0.51 4.01 3.79 2oi6A1 GLY 287 HA3 -0.06 -0.10 0.23 -0.51 4.01 3.57 2oi6A1 HIS 288 H -0.11 0.04 0.19 -0.55 8.41 7.98 2oi6A1 HIS 288 HA 0.02 0.15 0.70 -0.75 4.63 4.75 2oi6A1 HIS 288 HB2 0.00 -0.07 0.16 -0.04 3.26 3.31 2oi6A1 HIS 288 HB3 0.00 0.13 0.06 -0.04 3.20 3.36 2oi6A1 HIS 288 HD2 -0.00 -0.01 0.09 -0.04 6.97 7.00 2oi6A1 HIS 288 HE1 -0.01 0.09 0.07 -0.04 7.75 7.86 2oi6A1 ARG 289 H 0.11 0.80 0.14 -0.55 8.46 8.95 2oi6A1 ARG 289 HA 0.03 0.38 0.29 -0.75 4.34 4.28 2oi6A1 ARG 289 HB2 0.05 -0.03 -0.14 -0.04 1.90 1.73 2oi6A1 ARG 289 HB3 0.02 0.03 0.18 -0.04 1.80 1.99 2oi6A1 ARG 289 HG2 0.02 0.08 0.03 -0.04 1.67 1.76 2oi6A1 ARG 289 HG3 0.05 -0.10 -0.13 -0.04 1.67 1.46 2oi6A1 ARG 289 HD2 0.00 0.03 -0.01 -0.04 3.22 3.21 2oi6A1 ARG 289 HD3 -0.01 -0.01 -0.03 -0.04 3.22 3.13 2oi6A1 VAL 290 H 0.03 0.09 -0.50 -0.55 8.24 7.31 2oi6A1 VAL 290 HA 0.01 0.26 0.59 -0.75 4.13 4.23 2oi6A1 VAL 290 HB 0.01 -0.04 -0.04 -0.04 2.12 2.01 2oi6A1 VAL 290 HG13 0.00 -0.00 -0.25 -0.04 0.97 0.67 2oi6A1 VAL 290 HG23 0.01 -0.05 -0.18 -0.04 0.95 0.69 2oi6A1 LYS 291 H -0.01 0.65 0.34 -0.55 8.42 8.85 2oi6A1 LYS 291 HA -0.02 0.22 1.04 -0.75 4.32 4.81 2oi6A1 LYS 291 HB2 -0.02 -0.08 0.15 -0.04 1.87 1.88 2oi6A1 LYS 291 HB3 -0.02 -0.05 0.02 -0.04 1.79 1.70 2oi6A1 LYS 291 HG2 -0.01 0.03 -0.19 -0.04 1.46 1.25 2oi6A1 LYS 291 HG3 -0.01 0.19 -0.11 -0.04 1.46 1.50 2oi6A1 LYS 291 HD2 -0.01 0.01 -0.03 -0.04 1.69 1.62 2oi6A1 LYS 291 HD3 -0.01 -0.03 -0.02 -0.04 1.68 1.57 2oi6A1 LYS 291 HE2 -0.02 -0.04 -0.05 -0.04 2.99 2.84 2oi6A1 LYS 291 HE3 -0.02 0.01 -0.04 -0.04 2.99 2.90 2oi6A1 ILE 292 H -0.02 0.78 0.33 -0.55 8.25 8.78 2oi6A1 ILE 292 HA -0.03 0.18 1.02 -0.75 4.18 4.59 2oi6A1 ILE 292 HB 0.00 -0.08 0.18 -0.04 1.89 1.95 2oi6A1 ILE 292 HG12 -0.01 0.02 -0.19 -0.04 1.49 1.28 2oi6A1 ILE 292 HG13 -0.00 -0.03 -0.40 -0.04 1.21 0.74 2oi6A1 ILE 292 HG23 -0.02 0.04 -0.11 -0.04 0.93 0.80 2oi6A1 ILE 292 HD13 0.02 -0.01 -0.17 -0.04 0.88 0.68 2oi6A1 GLY 293 H -0.07 0.86 0.21 -0.55 8.43 8.88 2oi6A1 GLY 293 HA2 -0.08 -0.00 0.48 -0.51 4.01 3.89 2oi6A1 GLY 293 HA3 -0.12 0.01 0.28 -0.51 4.01 3.67 2oi6A1 THR 294 H -0.16 0.06 0.17 -0.55 8.28 7.79 2oi6A1 THR 294 HA -0.12 0.26 0.17 -0.75 4.39 3.95 2oi6A1 THR 294 HB -0.10 -0.09 0.18 -0.04 4.32 4.27 2oi6A1 THR 294 HG23 -0.35 -0.01 0.04 -0.04 1.22 0.86 2oi6A1 GLY 295 H -0.10 0.62 0.13 -0.55 8.43 8.54 2oi6A1 GLY 295 HA2 -0.00 0.29 0.38 -0.51 4.01 4.17 2oi6A1 GLY 295 HA3 -0.15 -0.08 0.38 -0.51 4.01 3.64 2oi6A1 CYS 296 H -0.11 0.24 -0.29 -0.55 8.50 7.80 2oi6A1 CYS 296 HA -0.04 0.09 0.56 -0.75 4.58 4.43 2oi6A1 CYS 296 HB2 -0.04 -0.04 -0.01 -0.04 2.97 2.85 2oi6A1 CYS 296 HB3 -0.03 0.03 -0.05 -0.04 2.97 2.88 2oi6A1 VAL 297 H 0.01 0.53 0.40 -0.55 8.24 8.63 2oi6A1 VAL 297 HA -0.01 0.21 1.02 -0.75 4.13 4.59 2oi6A1 VAL 297 HB 0.02 -0.08 0.22 -0.04 2.12 2.24 2oi6A1 VAL 297 HG13 0.00 -0.01 -0.12 -0.04 0.97 0.80 2oi6A1 VAL 297 HG23 0.02 0.03 -0.08 -0.04 0.95 0.88 2oi6A1 ILE 298 H -0.01 0.69 0.32 -0.55 8.25 8.70 2oi6A1 ILE 298 HA 0.00 0.19 1.01 -0.75 4.18 4.63 2oi6A1 ILE 298 HB 0.01 -0.01 0.06 -0.04 1.89 1.91 2oi6A1 ILE 298 HG12 -0.00 0.03 -0.20 -0.04 1.49 1.28 2oi6A1 ILE 298 HG13 -0.00 -0.08 -0.56 -0.04 1.21 0.53 2oi6A1 ILE 298 HG23 0.01 -0.02 -0.21 -0.04 0.93 0.67 2oi6A1 ILE 298 HD13 0.01 -0.00 -0.17 -0.04 0.88 0.68 2oi6A1 LYS 299 H 0.00 0.67 0.28 -0.55 8.42 8.82 2oi6A1 LYS 299 HA 0.00 0.37 1.18 -0.75 4.32 5.12 2oi6A1 LYS 299 HB2 -0.00 -0.02 -0.13 -0.04 1.87 1.67 2oi6A1 LYS 299 HB3 0.00 0.02 0.16 -0.04 1.79 1.93 2oi6A1 LYS 299 HG2 -0.00 -0.03 -0.26 -0.04 1.46 1.13 2oi6A1 LYS 299 HG3 -0.00 -0.02 -0.21 -0.04 1.46 1.18 2oi6A1 LYS 299 HD2 -0.00 -0.00 -0.08 -0.04 1.69 1.57 2oi6A1 LYS 299 HD3 -0.00 -0.00 -0.06 -0.04 1.68 1.57 2oi6A1 LYS 299 HE2 -0.01 -0.01 -0.05 -0.04 2.99 2.89 2oi6A1 LYS 299 HE3 -0.01 -0.02 -0.05 -0.04 2.99 2.87 2oi6A1 ASN 300 H 0.00 0.57 0.22 -0.55 8.53 8.78 2oi6A1 ASN 300 HA 0.00 0.33 0.52 -0.75 4.76 4.86 2oi6A1 ASN 300 HB2 -0.00 -0.01 -0.08 -0.04 2.88 2.75 2oi6A1 ASN 300 HB3 -0.00 0.01 0.30 -0.04 2.79 3.06 2oi6A1 ASN 300 HD21 -0.00 0.01 0.06 -0.04 7.03 7.05 2oi6A1 ASN 300 HD22 -0.00 0.02 -0.00 -0.04 7.74 7.71 2oi6A1 SER 301 H 0.01 0.22 0.04 -0.55 8.46 8.18 2oi6A1 SER 301 HA -0.00 0.25 1.07 -0.75 4.49 5.05 2oi6A1 SER 301 HB2 0.00 -0.06 -0.23 -0.04 3.95 3.63 2oi6A1 SER 301 HB3 0.00 0.08 -0.09 -0.04 3.93 3.88 2oi6A1 VAL 302 H -0.00 0.65 0.38 -0.55 8.24 8.71 2oi6A1 VAL 302 HA -0.00 0.16 1.01 -0.75 4.13 4.54 2oi6A1 VAL 302 HB -0.01 -0.04 0.21 -0.04 2.12 2.25 2oi6A1 VAL 302 HG13 -0.01 -0.00 -0.14 -0.04 0.97 0.77 2oi6A1 VAL 302 HG23 -0.00 0.00 -0.13 -0.04 0.95 0.78 2oi6A1 ILE 303 H -0.00 0.73 0.28 -0.55 8.25 8.71 2oi6A1 ILE 303 HA -0.00 0.11 0.96 -0.75 4.18 4.49 2oi6A1 ILE 303 HB 0.00 -0.02 0.16 -0.04 1.89 1.99 2oi6A1 ILE 303 HG12 -0.00 0.03 -0.23 -0.04 1.49 1.25 2oi6A1 ILE 303 HG13 0.00 -0.08 -0.55 -0.04 1.21 0.54 2oi6A1 ILE 303 HG23 -0.00 0.03 -0.13 -0.04 0.93 0.79 2oi6A1 ILE 303 HD13 0.00 0.00 -0.18 -0.04 0.88 0.66 2oi6A1 GLY 304 H -0.00 0.50 0.06 -0.55 8.43 8.43 2oi6A1 GLY 304 HA2 -0.01 0.00 0.32 -0.51 4.01 3.80 2oi6A1 GLY 304 HA3 -0.00 -0.02 0.08 -0.51 4.01 3.56 2oi6A1 ASP 305 H 0.00 0.06 0.17 -0.55 8.40 8.08 2oi6A1 ASP 305 HA 0.02 0.12 0.42 -0.75 4.63 4.44 2oi6A1 ASP 305 HB2 0.04 -0.05 0.12 -0.04 2.71 2.78 2oi6A1 ASP 305 HB3 0.07 0.13 0.06 -0.04 2.70 2.92 2oi6A1 ASP 306 H 0.04 0.72 0.15 -0.55 8.40 8.76 2oi6A1 ASP 306 HA 0.02 0.27 0.30 -0.75 4.63 4.46 2oi6A1 ASP 306 HB2 0.02 0.01 -0.12 -0.04 2.71 2.58 2oi6A1 ASP 306 HB3 0.01 0.03 0.17 -0.04 2.70 2.88 2oi6A1 CYS 307 H 0.01 0.21 -0.38 -0.55 8.50 7.79 2oi6A1 CYS 307 HA 0.01 0.24 0.61 -0.75 4.58 4.68 2oi6A1 CYS 307 HB2 0.00 -0.04 -0.04 -0.04 2.97 2.86 2oi6A1 CYS 307 HB3 -0.00 0.01 -0.12 -0.04 2.97 2.82 2oi6A1 GLU 308 H 0.00 0.59 0.32 -0.55 8.60 8.97 2oi6A1 GLU 308 HA -0.01 0.20 1.03 -0.75 4.29 4.75 2oi6A1 GLU 308 HB2 -0.00 -0.05 0.18 -0.04 2.09 2.18 2oi6A1 GLU 308 HB3 -0.01 -0.04 0.03 -0.04 1.99 1.93 2oi6A1 GLU 308 HG2 -0.01 0.11 -0.31 -0.04 2.34 2.09 2oi6A1 GLU 308 HG3 -0.00 0.11 -0.09 -0.04 2.34 2.32 2oi6A1 ILE 309 H -0.02 0.81 0.30 -0.55 8.25 8.79 2oi6A1 ILE 309 HA -0.03 0.12 0.90 -0.75 4.18 4.42 2oi6A1 ILE 309 HB -0.03 -0.10 0.25 -0.04 1.89 1.97 2oi6A1 ILE 309 HG12 -0.01 0.05 -0.15 -0.04 1.49 1.34 2oi6A1 ILE 309 HG13 -0.01 -0.03 -0.11 -0.04 1.21 1.01 2oi6A1 ILE 309 HG23 -0.04 0.03 -0.11 -0.04 0.93 0.77 2oi6A1 ILE 309 HD13 -0.01 0.00 -0.22 -0.04 0.88 0.61 2oi6A1 SER 310 H -0.05 0.76 0.24 -0.55 8.46 8.86 2oi6A1 SER 310 HA -0.09 0.02 0.50 -0.75 4.49 4.17 2oi6A1 SER 310 HB2 -0.08 0.00 -0.10 -0.04 3.95 3.73 2oi6A1 SER 310 HB3 -0.12 -0.02 -0.01 -0.04 3.93 3.75 2oi6A1 PRO 311 HA -0.35 0.20 0.22 -0.51 4.44 4.01 2oi6A1 PRO 311 HB2 -0.29 -0.01 0.06 -0.04 2.28 2.00 2oi6A1 PRO 311 HB3 -0.59 0.08 0.10 -0.04 2.02 1.57 2oi6A1 PRO 311 HG2 -0.12 0.05 0.10 -0.04 2.03 2.02 2oi6A1 PRO 311 HG3 -0.18 -0.13 0.14 -0.04 2.03 1.83 2oi6A1 PRO 311 HD2 -0.15 0.12 0.17 -0.04 3.68 3.78 2oi6A1 PRO 311 HD3 -0.11 0.11 0.22 -0.04 3.65 3.83 2oi6A1 TYR 312 H -0.62 0.60 0.16 -0.55 8.29 7.88 2oi6A1 TYR 312 HA -0.03 0.15 0.27 -0.75 4.56 4.20 2oi6A1 TYR 312 HB2 -0.44 0.00 -0.15 -0.04 3.06 2.43 2oi6A1 TYR 312 HB3 0.07 0.00 0.15 -0.04 2.98 3.16 2oi6A1 TYR 312 HD2 -0.12 0.04 -0.05 -0.04 7.15 6.98 2oi6A1 TYR 312 HE2 0.01 -0.01 -0.03 -0.04 6.85 6.78 2oi6A1 THR 313 H -0.06 0.16 -0.06 -0.55 8.28 7.77 2oi6A1 THR 313 HA 0.02 0.22 0.95 -0.75 4.39 4.83 2oi6A1 THR 313 HB -0.05 0.02 -0.03 -0.04 4.32 4.22 2oi6A1 THR 313 HG23 -0.02 -0.00 -0.22 -0.04 1.22 0.93 2oi6A1 VAL 314 H 0.04 0.59 0.35 -0.55 8.24 8.67 2oi6A1 VAL 314 HA 0.02 0.22 1.08 -0.75 4.13 4.70 2oi6A1 VAL 314 HB 0.05 -0.02 0.16 -0.04 2.12 2.27 2oi6A1 VAL 314 HG13 0.03 -0.00 -0.12 -0.04 0.97 0.84 2oi6A1 VAL 314 HG23 0.06 -0.01 -0.13 -0.04 0.95 0.84 2oi6A1 VAL 315 H 0.01 0.71 0.41 -0.55 8.24 8.82 2oi6A1 VAL 315 HA 0.01 0.27 1.13 -0.75 4.13 4.78 2oi6A1 VAL 315 HB 0.00 -0.06 0.10 -0.04 2.12 2.12 2oi6A1 VAL 315 HG13 -0.00 -0.01 -0.20 -0.04 0.97 0.71 2oi6A1 VAL 315 HG23 -0.00 0.00 -0.33 -0.04 0.95 0.58 2oi6A1 GLU 316 H 0.01 0.53 0.11 -0.55 8.60 8.70 2oi6A1 GLU 316 HA 0.00 0.29 0.94 -0.75 4.29 4.77 2oi6A1 GLU 316 HB2 0.01 0.00 -0.12 -0.04 2.09 1.94 2oi6A1 GLU 316 HB3 0.01 0.01 0.09 -0.04 1.99 2.06 2oi6A1 GLU 316 HG2 0.00 -0.02 -0.27 -0.04 2.34 2.01 2oi6A1 GLU 316 HG3 0.00 0.02 -0.03 -0.04 2.34 2.29 2oi6A1 ASP 317 H 0.00 0.64 0.20 -0.55 8.40 8.69 2oi6A1 ASP 317 HA -0.00 0.44 0.59 -0.75 4.63 4.91 2oi6A1 ASP 317 HB2 -0.00 0.06 -0.23 -0.04 2.71 2.50 2oi6A1 ASP 317 HB3 -0.00 -0.14 0.35 -0.04 2.70 2.87 2oi6A1 ALA 318 H -0.00 0.09 -0.05 -0.55 8.40 7.90 2oi6A1 ALA 318 HA -0.01 0.31 0.96 -0.75 4.34 4.85 2oi6A1 ALA 318 HB3 -0.00 -0.01 -0.14 -0.04 1.41 1.22 2oi6A1 ASN 319 H -0.01 0.63 0.30 -0.55 8.53 8.91 2oi6A1 ASN 319 HA -0.01 0.16 0.98 -0.75 4.76 5.14 2oi6A1 ASN 319 HB2 -0.01 0.02 -0.13 -0.04 2.88 2.72 2oi6A1 ASN 319 HB3 -0.01 -0.02 0.16 -0.04 2.79 2.88 2oi6A1 ASN 319 HD21 -0.01 -0.03 -0.06 -0.04 7.03 6.89 2oi6A1 ASN 319 HD22 -0.01 0.02 -0.05 -0.04 7.74 7.66 2oi6A1 LEU 320 H -0.01 0.74 0.32 -0.55 8.37 8.87 2oi6A1 LEU 320 HA -0.01 0.13 1.05 -0.75 4.35 4.76 2oi6A1 LEU 320 HB2 -0.00 -0.03 0.23 -0.04 1.64 1.80 2oi6A1 LEU 320 HB3 -0.00 0.12 -0.02 -0.04 1.64 1.69 2oi6A1 LEU 320 HG -0.01 0.02 -0.07 -0.04 1.64 1.54 2oi6A1 LEU 320 HD13 -0.01 0.00 -0.33 -0.04 0.93 0.55 2oi6A1 LEU 320 HD23 -0.01 0.00 -0.15 -0.04 0.89 0.69 2oi6A1 ALA 321 H -0.00 0.52 0.13 -0.55 8.40 8.50 2oi6A1 ALA 321 HA -0.00 0.04 0.48 -0.75 4.34 4.10 2oi6A1 ALA 321 HB3 0.00 -0.01 0.02 -0.04 1.41 1.37 2oi6A1 ALA 322 H 0.00 0.05 0.14 -0.55 8.40 8.04 2oi6A1 ALA 322 HA 0.01 0.15 0.25 -0.75 4.34 3.99 2oi6A1 ALA 322 HB3 0.01 -0.01 0.11 -0.04 1.41 1.48 2oi6A1 ALA 323 H 0.01 0.66 0.10 -0.55 8.40 8.62 2oi6A1 ALA 323 HA 0.01 0.26 0.18 -0.75 4.34 4.03 2oi6A1 ALA 323 HB3 0.01 -0.01 -0.08 -0.04 1.41 1.29 2oi6A1 CYS 324 H 0.01 0.10 -0.36 -0.55 8.50 7.69 2oi6A1 CYS 324 HA 0.02 0.27 0.56 -0.75 4.58 4.68 2oi6A1 CYS 324 HB2 0.00 -0.08 -0.06 -0.04 2.97 2.79 2oi6A1 CYS 324 HB3 0.01 0.04 -0.09 -0.04 2.97 2.89 2oi6A1 THR 325 H 0.07 0.57 0.31 -0.55 8.28 8.68 2oi6A1 THR 325 HA 0.03 0.25 1.05 -0.75 4.39 4.97 2oi6A1 THR 325 HB 0.09 0.02 0.05 -0.04 4.32 4.44 2oi6A1 THR 325 HG23 0.01 0.01 -0.12 -0.04 1.22 1.07 2oi6A1 ILE 326 H 0.00 0.49 0.37 -0.55 8.25 8.57 2oi6A1 ILE 326 HA -0.11 0.37 1.15 -0.75 4.18 4.84 2oi6A1 ILE 326 HB -0.07 -0.02 0.04 -0.04 1.89 1.81 2oi6A1 ILE 326 HG12 -0.02 0.02 0.05 -0.04 1.49 1.50 2oi6A1 ILE 326 HG13 -0.04 -0.01 -0.25 -0.04 1.21 0.86 2oi6A1 ILE 326 HG23 -0.04 -0.03 -0.25 -0.04 0.93 0.57 2oi6A1 ILE 326 HD13 -0.02 -0.01 -0.16 -0.04 0.88 0.64 2oi6A1 GLY 327 H -0.11 0.40 0.13 -0.55 8.43 8.30 2oi6A1 GLY 327 HA2 -0.09 0.07 -0.06 -0.51 4.01 3.42 2oi6A1 GLY 327 HA3 -0.09 0.07 0.58 -0.51 4.01 4.05 2oi6A1 PRO 328 HA -0.22 0.20 0.15 -0.51 4.44 4.07 2oi6A1 PRO 328 HB2 -0.93 0.06 -0.01 -0.04 2.28 1.37 2oi6A1 PRO 328 HB3 -0.30 -0.05 0.06 -0.04 2.02 1.68 2oi6A1 PRO 328 HG2 -0.06 -0.01 -0.02 -0.04 2.03 1.90 2oi6A1 PRO 328 HG3 -0.09 0.00 0.05 -0.04 2.03 1.95 2oi6A1 PRO 328 HD2 -0.04 0.11 0.42 -0.04 3.68 4.12 2oi6A1 PRO 328 HD3 -0.07 0.05 0.10 -0.04 3.65 3.68 2oi6A1 PHE 329 H -0.32 0.62 0.10 -0.55 8.34 8.19 2oi6A1 PHE 329 HA 0.07 0.32 0.53 -0.75 4.62 4.78 2oi6A1 PHE 329 HB2 -0.41 0.02 0.16 -0.04 3.15 2.88 2oi6A1 PHE 329 HB3 0.12 -0.05 0.28 -0.04 3.06 3.36 2oi6A1 PHE 329 HD2 -0.06 0.05 -0.04 -0.04 7.28 7.19 2oi6A1 PHE 329 HE2 0.04 -0.01 -0.03 -0.04 7.38 7.34 2oi6A1 PHE 329 HZ 0.11 -0.03 -0.03 -0.04 7.32 7.33 2oi6A1 ALA 330 H -0.01 0.05 -0.09 -0.55 8.40 7.81 2oi6A1 ALA 330 HA 0.03 0.14 1.01 -0.75 4.34 4.76 2oi6A1 ALA 330 HB3 -0.04 0.01 -0.02 -0.04 1.41 1.32 2oi6A1 ARG 331 H 0.04 0.74 0.32 -0.55 8.46 9.01 2oi6A1 ARG 331 HA 0.04 0.24 1.10 -0.75 4.34 4.97 2oi6A1 ARG 331 HB2 0.09 -0.01 -0.16 -0.04 1.90 1.78 2oi6A1 ARG 331 HB3 0.07 -0.06 0.19 -0.04 1.80 1.96 2oi6A1 ARG 331 HG2 0.05 0.03 0.02 -0.04 1.67 1.73 2oi6A1 ARG 331 HG3 0.06 -0.04 -0.05 -0.04 1.67 1.60 2oi6A1 ARG 331 HD2 0.06 -0.07 -0.12 -0.04 3.22 3.05 2oi6A1 ARG 331 HD3 0.04 0.09 -0.48 -0.04 3.22 2.83 2oi6A1 LEU 332 H 0.02 0.63 0.33 -0.55 8.37 8.80 2oi6A1 LEU 332 HA 0.01 0.10 1.08 -0.75 4.35 4.79 2oi6A1 LEU 332 HB2 0.00 -0.10 0.18 -0.04 1.64 1.69 2oi6A1 LEU 332 HB3 -0.00 0.05 0.05 -0.04 1.64 1.70 2oi6A1 LEU 332 HG -0.01 0.01 -0.11 -0.04 1.64 1.49 2oi6A1 LEU 332 HD13 -0.02 -0.01 -0.14 -0.04 0.93 0.72 2oi6A1 LEU 332 HD23 -0.02 -0.00 -0.23 -0.04 0.89 0.59 2oi6A1 ARG 333 H 0.02 0.71 0.42 -0.55 8.46 9.06 2oi6A1 ARG 333 HA 0.01 0.13 0.84 -0.75 4.34 4.57 2oi6A1 ARG 333 HB2 0.04 0.05 0.19 -0.04 1.90 2.14 2oi6A1 ARG 333 HB3 0.02 0.01 0.17 -0.04 1.80 1.96 2oi6A1 ARG 333 HG2 0.03 -0.01 -0.04 -0.04 1.67 1.61 2oi6A1 ARG 333 HG3 0.04 -0.03 -0.25 -0.04 1.67 1.39 2oi6A1 ARG 333 HD2 0.05 -0.02 -0.08 -0.04 3.22 3.13 2oi6A1 ARG 333 HD3 0.09 0.00 -0.11 -0.04 3.22 3.16 2oi6A1 PRO 334 HA -0.00 0.31 0.60 -0.51 4.44 4.83 2oi6A1 PRO 334 HB2 -0.00 -0.05 0.15 -0.04 2.28 2.34 2oi6A1 PRO 334 HB3 -0.00 0.03 0.15 -0.04 2.02 2.15 2oi6A1 PRO 334 HG2 -0.00 -0.00 0.09 -0.04 2.03 2.08 2oi6A1 PRO 334 HG3 -0.00 0.05 0.02 -0.04 2.03 2.06 2oi6A1 PRO 334 HD2 0.01 0.05 0.22 -0.04 3.68 3.91 2oi6A1 PRO 334 HD3 0.01 0.11 0.25 -0.04 3.65 3.98 2oi6A1 GLY 335 H -0.01 0.64 0.42 -0.55 8.43 8.93 2oi6A1 GLY 335 HA2 -0.01 0.02 0.41 -0.51 4.01 3.92 2oi6A1 GLY 335 HA3 -0.01 0.02 0.86 -0.51 4.01 4.37 2oi6A1 ALA 336 H -0.01 0.57 -0.02 -0.55 8.40 8.39 2oi6A1 ALA 336 HA -0.02 0.05 0.52 -0.75 4.34 4.13 2oi6A1 ALA 336 HB3 -0.01 0.01 0.05 -0.04 1.41 1.41 2oi6A1 GLU 337 H -0.02 0.68 0.48 -0.55 8.60 9.19 2oi6A1 GLU 337 HA -0.01 0.26 1.10 -0.75 4.29 4.88 2oi6A1 GLU 337 HB2 -0.01 -0.04 0.14 -0.04 2.09 2.13 2oi6A1 GLU 337 HB3 -0.01 -0.04 -0.08 -0.04 1.99 1.82 2oi6A1 GLU 337 HG2 -0.01 0.00 0.02 -0.04 2.34 2.31 2oi6A1 GLU 337 HG3 -0.01 0.08 -0.31 -0.04 2.34 2.06 2oi6A1 LEU 338 H -0.01 0.64 0.41 -0.55 8.37 8.86 2oi6A1 LEU 338 HA -0.01 0.21 1.11 -0.75 4.35 4.90 2oi6A1 LEU 338 HB2 -0.01 -0.07 0.17 -0.04 1.64 1.69 2oi6A1 LEU 338 HB3 -0.01 0.10 0.00 -0.04 1.64 1.70 2oi6A1 LEU 338 HG -0.02 0.04 -0.07 -0.04 1.64 1.54 2oi6A1 LEU 338 HD13 -0.03 -0.02 -0.37 -0.04 0.93 0.48 2oi6A1 LEU 338 HD23 -0.03 0.01 -0.22 -0.04 0.89 0.61 2oi6A1 LEU 339 H -0.00 0.73 0.26 -0.55 8.37 8.81 2oi6A1 LEU 339 HA -0.00 0.10 0.79 -0.75 4.35 4.49 2oi6A1 LEU 339 HB2 0.00 -0.07 -0.09 -0.04 1.64 1.45 2oi6A1 LEU 339 HB3 0.00 -0.11 0.16 -0.04 1.64 1.65 2oi6A1 LEU 339 HG -0.00 0.21 -0.11 -0.04 1.64 1.70 2oi6A1 LEU 339 HD13 0.00 -0.04 0.00 -0.04 0.93 0.85 2oi6A1 LEU 339 HD23 -0.00 0.01 -0.19 -0.04 0.89 0.66 2oi6A1 GLU 340 H 0.00 0.06 0.14 -0.55 8.60 8.26 2oi6A1 GLU 340 HA 0.01 0.23 0.17 -0.75 4.29 3.94 2oi6A1 GLU 340 HB2 0.00 -0.07 0.17 -0.04 2.09 2.15 2oi6A1 GLU 340 HB3 0.01 -0.06 0.16 -0.04 1.99 2.06 2oi6A1 GLU 340 HG2 0.01 0.03 -0.19 -0.04 2.34 2.15 2oi6A1 GLU 340 HG3 0.01 0.17 -0.02 -0.04 2.34 2.45 2oi6A1 GLY 341 H 0.01 0.57 0.04 -0.55 8.43 8.51 2oi6A1 GLY 341 HA2 0.01 0.35 0.31 -0.51 4.01 4.17 2oi6A1 GLY 341 HA3 0.01 -0.06 0.38 -0.51 4.01 3.84 2oi6A1 ALA 342 H 0.01 0.40 -0.34 -0.55 8.40 7.93 2oi6A1 ALA 342 HA 0.03 0.08 0.43 -0.75 4.34 4.13 2oi6A1 ALA 342 HB3 0.00 -0.02 0.01 -0.04 1.41 1.37 2oi6A1 HIS 343 H 0.06 0.71 0.37 -0.55 8.41 9.00 2oi6A1 HIS 343 HA -0.03 0.31 1.09 -0.75 4.63 5.25 2oi6A1 HIS 343 HB2 -0.02 0.07 -0.08 -0.04 3.26 3.19 2oi6A1 HIS 343 HB3 -0.03 -0.06 0.07 -0.04 3.20 3.13 2oi6A1 HIS 343 HD2 -0.07 -0.13 -0.20 -0.04 6.97 6.52 2oi6A1 HIS 343 HE1 -0.06 0.09 -0.15 -0.04 7.75 7.59 2oi6A1 VAL 344 H -0.34 0.61 0.38 -0.55 8.24 8.35 2oi6A1 VAL 344 HA -0.30 0.24 0.93 -0.75 4.13 4.24 2oi6A1 VAL 344 HB -0.14 -0.08 0.16 -0.04 2.12 2.01 2oi6A1 VAL 344 HG13 -0.10 0.03 -0.12 -0.04 0.97 0.74 2oi6A1 VAL 344 HG23 -0.09 -0.02 -0.21 -0.04 0.95 0.59 2oi6A1 GLY 345 H -0.33 0.58 0.24 -0.55 8.43 8.37 2oi6A1 GLY 345 HA2 -0.23 0.25 0.64 -0.51 4.01 4.16 2oi6A1 GLY 345 HA3 -0.23 0.22 0.44 -0.51 4.01 3.93 2oi6A1 ASN 346 H -0.15 0.13 0.16 -0.55 8.53 8.13 2oi6A1 ASN 346 HA -0.22 0.34 0.53 -0.75 4.76 4.66 2oi6A1 ASN 346 HB2 -1.57 -0.05 0.02 -0.04 2.88 1.24 2oi6A1 ASN 346 HB3 -0.24 0.09 0.03 -0.04 2.79 2.63 2oi6A1 ASN 346 HD21 0.17 -0.04 0.10 -0.04 7.03 7.22 2oi6A1 ASN 346 HD22 -0.07 -0.09 0.24 -0.04 7.74 7.78 2oi6A1 PHE 347 H -0.15 0.63 0.33 -0.55 8.34 8.59 2oi6A1 PHE 347 HA 0.07 0.10 0.45 -0.75 4.62 4.49 2oi6A1 PHE 347 HB2 0.05 -0.12 0.32 -0.04 3.15 3.37 2oi6A1 PHE 347 HB3 0.02 -0.00 0.21 -0.04 3.06 3.25 2oi6A1 PHE 347 HD2 0.01 0.03 0.03 -0.04 7.28 7.30 2oi6A1 PHE 347 HE2 -0.41 -0.00 -0.00 -0.04 7.38 6.93 2oi6A1 PHE 347 HZ -0.24 -0.01 -0.02 -0.04 7.32 7.02 2oi6A1 VAL 348 H 0.05 0.30 0.08 -0.55 8.24 8.12 2oi6A1 VAL 348 HA 0.09 0.21 0.96 -0.75 4.13 4.64 2oi6A1 VAL 348 HB -0.04 0.08 -0.09 -0.04 2.12 2.02 2oi6A1 VAL 348 HG13 -0.02 -0.00 -0.19 -0.04 0.97 0.72 2oi6A1 VAL 348 HG23 -0.02 0.03 -0.63 -0.04 0.95 0.29 2oi6A1 GLU 349 H 0.11 0.70 0.36 -0.55 8.60 9.22 2oi6A1 GLU 349 HA 0.07 0.38 1.15 -0.75 4.29 5.14 2oi6A1 GLU 349 HB2 0.13 -0.01 -0.02 -0.04 2.09 2.15 2oi6A1 GLU 349 HB3 0.29 -0.02 0.16 -0.04 1.99 2.38 2oi6A1 GLU 349 HG2 0.28 -0.05 -0.37 -0.04 2.34 2.16 2oi6A1 GLU 349 HG3 0.13 0.08 -0.00 -0.04 2.34 2.51 2oi6A1 MET 350 H 0.03 0.54 0.42 -0.55 8.47 8.92 2oi6A1 MET 350 HA -0.10 0.36 1.08 -0.75 4.52 5.10 2oi6A1 MET 350 HB2 -0.02 -0.06 0.11 -0.04 2.15 2.14 2oi6A1 MET 350 HB3 -0.04 -0.01 -0.02 -0.04 2.03 1.92 2oi6A1 MET 350 HG2 -0.07 0.04 -0.06 -0.04 2.63 2.49 2oi6A1 MET 350 HG3 -0.04 -0.04 -0.39 -0.04 2.56 2.05 2oi6A1 MET 350 HE3 -0.04 -0.02 -0.15 -0.04 2.10 1.86 2oi6A1 LYS 351 H -0.10 0.68 0.29 -0.55 8.42 8.74 2oi6A1 LYS 351 HA 0.00 0.15 0.64 -0.75 4.32 4.36 2oi6A1 LYS 351 HB2 0.10 0.02 -0.18 -0.04 1.87 1.77 2oi6A1 LYS 351 HB3 0.07 -0.05 0.07 -0.04 1.79 1.84 2oi6A1 LYS 351 HG2 0.01 0.12 -0.02 -0.04 1.46 1.53 2oi6A1 LYS 351 HG3 0.04 -0.01 0.01 -0.04 1.46 1.46 2oi6A1 LYS 351 HD2 0.01 0.01 -0.04 -0.04 1.69 1.63 2oi6A1 LYS 351 HD3 0.07 -0.01 -0.05 -0.04 1.68 1.65 2oi6A1 LYS 351 HE2 0.06 -0.08 -0.05 -0.04 2.99 2.88 2oi6A1 LYS 351 HE3 0.01 0.02 -0.20 -0.04 2.99 2.78 2oi6A1 LYS 352 H -0.01 0.49 0.08 -0.55 8.42 8.42 2oi6A1 LYS 352 HA -0.02 0.07 0.40 -0.75 4.32 4.02 2oi6A1 LYS 352 HB2 -0.02 -0.10 0.27 -0.04 1.87 1.98 2oi6A1 LYS 352 HB3 -0.01 0.01 0.22 -0.04 1.79 1.96 2oi6A1 LYS 352 HG2 -0.01 0.08 -0.02 -0.04 1.46 1.48 2oi6A1 LYS 352 HG3 -0.01 -0.02 -0.05 -0.04 1.46 1.35 2oi6A1 LYS 352 HD2 -0.01 -0.01 0.06 -0.04 1.69 1.69 2oi6A1 LYS 352 HD3 -0.01 0.06 0.00 -0.04 1.68 1.70 2oi6A1 LYS 352 HE2 -0.01 -0.01 0.00 -0.04 2.99 2.93 2oi6A1 LYS 352 HE3 -0.01 -0.00 -0.01 -0.04 2.99 2.92 2oi6A1 ALA 353 H -0.03 0.25 -0.28 -0.55 8.40 7.79 2oi6A1 ALA 353 HA -0.04 0.26 1.00 -0.75 4.34 4.81 2oi6A1 ALA 353 HB3 -0.08 0.00 -0.26 -0.04 1.41 1.03 2oi6A1 ARG 354 H -0.03 0.58 0.34 -0.55 8.46 8.80 2oi6A1 ARG 354 HA -0.02 0.33 1.18 -0.75 4.34 5.08 2oi6A1 ARG 354 HB2 -0.01 0.01 0.03 -0.04 1.90 1.88 2oi6A1 ARG 354 HB3 -0.01 -0.10 0.20 -0.04 1.80 1.85 2oi6A1 ARG 354 HG2 -0.01 0.09 -0.26 -0.04 1.67 1.46 2oi6A1 ARG 354 HG3 -0.01 -0.02 -0.08 -0.04 1.67 1.53 2oi6A1 ARG 354 HD2 -0.00 -0.02 -0.14 -0.04 3.22 3.01 2oi6A1 ARG 354 HD3 -0.00 -0.04 -0.12 -0.04 3.22 3.01 2oi6A1 LEU 355 H -0.02 0.79 0.44 -0.55 8.37 9.03 2oi6A1 LEU 355 HA -0.02 0.12 0.92 -0.75 4.35 4.62 2oi6A1 LEU 355 HB2 -0.03 -0.02 -0.08 -0.04 1.64 1.48 2oi6A1 LEU 355 HB3 -0.02 -0.05 0.18 -0.04 1.64 1.71 2oi6A1 LEU 355 HG -0.01 0.06 -0.16 -0.04 1.64 1.49 2oi6A1 LEU 355 HD13 -0.02 -0.01 -0.14 -0.04 0.93 0.72 2oi6A1 LEU 355 HD23 -0.04 -0.01 -0.20 -0.04 0.89 0.59 2oi6A1 GLY 356 H -0.00 0.40 0.08 -0.55 8.43 8.37 2oi6A1 GLY 356 HA2 0.00 -0.03 0.36 -0.51 4.01 3.83 2oi6A1 GLY 356 HA3 0.00 0.01 0.03 -0.51 4.01 3.54 2oi6A1 LYS 357 H 0.01 0.05 0.11 -0.55 8.42 8.03 2oi6A1 LYS 357 HA 0.01 0.26 0.21 -0.75 4.32 4.04 2oi6A1 LYS 357 HB2 0.01 -0.09 0.14 -0.04 1.87 1.89 2oi6A1 LYS 357 HB3 0.01 0.14 0.03 -0.04 1.79 1.93 2oi6A1 LYS 357 HG2 0.01 -0.09 0.10 -0.04 1.46 1.44 2oi6A1 LYS 357 HG3 0.00 -0.07 0.13 -0.04 1.46 1.49 2oi6A1 LYS 357 HD2 0.01 -0.02 0.05 -0.04 1.69 1.69 2oi6A1 LYS 357 HD3 0.01 0.07 0.03 -0.04 1.68 1.74 2oi6A1 LYS 357 HE2 0.00 0.03 0.03 -0.04 2.99 3.02 2oi6A1 LYS 357 HE3 0.00 -0.02 0.06 -0.04 2.99 2.99 2oi6A1 GLY 358 H 0.01 0.55 0.12 -0.55 8.43 8.57 2oi6A1 GLY 358 HA2 0.02 0.22 0.24 -0.51 4.01 3.98 2oi6A1 GLY 358 HA3 0.02 -0.04 0.42 -0.51 4.01 3.90 2oi6A1 SER 359 H 0.02 0.43 -0.46 -0.55 8.46 7.90 2oi6A1 SER 359 HA 0.03 0.19 0.72 -0.75 4.49 4.67 2oi6A1 SER 359 HB2 0.01 0.10 -0.02 -0.04 3.95 3.99 2oi6A1 SER 359 HB3 0.01 0.03 0.01 -0.04 3.93 3.93 2oi6A1 LYS 360 H 0.03 0.67 0.37 -0.55 8.42 8.93 2oi6A1 LYS 360 HA 0.03 0.34 1.25 -0.75 4.32 5.19 2oi6A1 LYS 360 HB2 0.06 -0.08 0.15 -0.04 1.87 1.95 2oi6A1 LYS 360 HB3 0.13 -0.03 -0.01 -0.04 1.79 1.83 2oi6A1 LYS 360 HG2 0.11 0.09 -0.28 -0.04 1.46 1.35 2oi6A1 LYS 360 HG3 0.06 0.10 -0.26 -0.04 1.46 1.31 2oi6A1 LYS 360 HD2 0.06 -0.06 -0.04 -0.04 1.69 1.61 2oi6A1 LYS 360 HD3 0.05 -0.03 -0.06 -0.04 1.68 1.60 2oi6A1 LYS 360 HE2 -0.01 -0.05 -0.04 -0.04 2.99 2.85 2oi6A1 LYS 360 HE3 0.01 0.07 -0.06 -0.04 2.99 2.97 2oi6A1 ALA 361 H -0.09 0.91 0.25 -0.55 8.40 8.93 2oi6A1 ALA 361 HA -0.04 0.20 0.77 -0.75 4.34 4.51 2oi6A1 ALA 361 HB3 -0.06 -0.00 0.05 -0.04 1.41 1.36 2oi6A1 GLY 362 H -0.08 0.28 -0.03 -0.55 8.43 8.05 2oi6A1 GLY 362 HA2 -0.30 0.06 0.41 -0.51 4.01 3.67 2oi6A1 GLY 362 HA3 -0.54 0.04 0.29 -0.51 4.01 3.29 2oi6A1 HIS 363 H -0.00 0.18 -0.18 -0.55 8.41 7.86 2oi6A1 HIS 363 HA 0.03 0.37 0.58 -0.75 4.63 4.85 2oi6A1 HIS 363 HB2 0.08 -0.05 -0.14 -0.04 3.26 3.12 2oi6A1 HIS 363 HB3 0.09 0.09 0.09 -0.04 3.20 3.43 2oi6A1 HIS 363 HD2 0.07 0.04 -0.05 -0.04 6.97 6.98 2oi6A1 HIS 363 HE1 0.04 0.01 -0.02 -0.04 7.75 7.74 2oi6A1 LEU 364 H 0.25 0.50 0.21 -0.55 8.37 8.79 2oi6A1 LEU 364 HA 0.19 0.23 0.50 -0.75 4.35 4.52 2oi6A1 LEU 364 HB2 0.13 -0.12 -0.22 -0.04 1.64 1.38 2oi6A1 LEU 364 HB3 0.09 0.02 0.22 -0.04 1.64 1.93 2oi6A1 LEU 364 HG 0.33 0.02 0.08 -0.04 1.64 2.03 2oi6A1 LEU 364 HD13 0.07 -0.01 -0.02 -0.04 0.93 0.93 2oi6A1 LEU 364 HD23 0.05 0.02 0.08 -0.04 0.89 1.00 2oi6A1 THR 365 H 0.11 0.30 0.17 -0.55 8.28 8.32 2oi6A1 THR 365 HA 0.09 0.31 1.01 -0.75 4.39 5.05 2oi6A1 THR 365 HB 0.04 -0.14 -0.16 -0.04 4.32 4.01 2oi6A1 THR 365 HG23 0.00 0.01 -0.23 -0.04 1.22 0.96 2oi6A1 TYR 366 H 0.14 0.57 0.32 -0.55 8.29 8.77 2oi6A1 TYR 366 HA 0.02 0.22 1.07 -0.75 4.56 5.12 2oi6A1 TYR 366 HB2 0.02 0.02 -0.01 -0.04 3.06 3.05 2oi6A1 TYR 366 HB3 0.02 -0.02 0.19 -0.04 2.98 3.14 2oi6A1 TYR 366 HD2 0.02 0.01 -0.01 -0.04 7.15 7.13 2oi6A1 TYR 366 HE2 0.01 0.00 -0.07 -0.04 6.85 6.75 2oi6A1 LEU 367 H -0.30 0.76 0.27 -0.55 8.37 8.56 2oi6A1 LEU 367 HA -0.32 0.11 0.94 -0.75 4.35 4.33 2oi6A1 LEU 367 HB2 -0.15 -0.03 0.14 -0.04 1.64 1.56 2oi6A1 LEU 367 HB3 -0.14 -0.02 -0.07 -0.04 1.64 1.38 2oi6A1 LEU 367 HG -0.08 -0.02 -0.32 -0.04 1.64 1.17 2oi6A1 LEU 367 HD13 -0.06 -0.00 -0.15 -0.04 0.93 0.67 2oi6A1 LEU 367 HD23 -0.07 0.03 -0.16 -0.04 0.89 0.65 2oi6A1 GLY 368 H -0.43 0.26 0.11 -0.55 8.43 7.83 2oi6A1 GLY 368 HA2 -0.21 0.39 0.98 -0.51 4.01 4.66 2oi6A1 GLY 368 HA3 -0.24 -0.03 0.28 -0.51 4.01 3.52 2oi6A1 ASP 369 H -0.05 0.53 0.25 -0.55 8.40 8.58 2oi6A1 ASP 369 HA -0.02 0.18 0.52 -0.75 4.63 4.57 2oi6A1 ASP 369 HB2 0.03 0.18 0.04 -0.04 2.71 2.92 2oi6A1 ASP 369 HB3 0.02 -0.10 0.06 -0.04 2.70 2.64 2oi6A1 ALA 370 H -0.04 0.37 0.28 -0.55 8.40 8.47 2oi6A1 ALA 370 HA -0.01 0.24 1.15 -0.75 4.34 4.96 2oi6A1 ALA 370 HB3 -0.05 0.00 -0.17 -0.04 1.41 1.15 2oi6A1 GLU 371 H -0.01 0.74 0.41 -0.55 8.60 9.19 2oi6A1 GLU 371 HA -0.01 0.09 0.97 -0.75 4.29 4.58 2oi6A1 GLU 371 HB2 0.00 -0.04 0.20 -0.04 2.09 2.21 2oi6A1 GLU 371 HB3 -0.00 -0.01 0.03 -0.04 1.99 1.96 2oi6A1 GLU 371 HG2 -0.00 0.04 -0.05 -0.04 2.34 2.29 2oi6A1 GLU 371 HG3 -0.00 -0.02 -0.32 -0.04 2.34 1.96 2oi6A1 ILE 372 H -0.01 0.64 0.27 -0.55 8.25 8.60 2oi6A1 ILE 372 HA -0.01 0.18 1.06 -0.75 4.18 4.66 2oi6A1 ILE 372 HB -0.02 0.04 0.27 -0.04 1.89 2.15 2oi6A1 ILE 372 HG12 -0.02 0.01 -0.15 -0.04 1.49 1.29 2oi6A1 ILE 372 HG13 -0.02 -0.14 -0.43 -0.04 1.21 0.58 2oi6A1 ILE 372 HG23 -0.01 0.03 -0.11 -0.04 0.93 0.80 2oi6A1 ILE 372 HD13 -0.04 0.00 -0.17 -0.04 0.88 0.64 2oi6A1 GLY 373 H 0.00 0.70 0.19 -0.55 8.43 8.78 2oi6A1 GLY 373 HA2 0.00 0.02 0.34 -0.51 4.01 3.86 2oi6A1 GLY 373 HA3 0.01 -0.04 0.17 -0.51 4.01 3.65 2oi6A1 ASP 374 H 0.01 0.06 0.16 -0.55 8.40 8.09 2oi6A1 ASP 374 HA 0.01 0.15 0.52 -0.75 4.63 4.56 2oi6A1 ASP 374 HB2 0.01 -0.03 0.10 -0.04 2.71 2.76 2oi6A1 ASP 374 HB3 0.01 0.18 0.12 -0.04 2.70 2.97 2oi6A1 ASN 375 H 0.02 0.74 0.10 -0.55 8.53 8.84 2oi6A1 ASN 375 HA 0.03 0.20 0.21 -0.75 4.76 4.45 2oi6A1 ASN 375 HB2 0.02 -0.01 -0.06 -0.04 2.88 2.79 2oi6A1 ASN 375 HB3 0.03 -0.01 0.02 -0.04 2.79 2.78 2oi6A1 ASN 375 HD21 0.03 0.02 0.05 -0.04 7.03 7.09 2oi6A1 ASN 375 HD22 0.03 -0.06 0.07 -0.04 7.74 7.74 2oi6A1 VAL 376 H 0.03 0.08 -0.31 -0.55 8.24 7.49 2oi6A1 VAL 376 HA 0.05 0.29 0.84 -0.75 4.13 4.56 2oi6A1 VAL 376 HB 0.01 -0.03 -0.08 -0.04 2.12 1.98 2oi6A1 VAL 376 HG13 0.00 0.02 -0.29 -0.04 0.97 0.66 2oi6A1 VAL 376 HG23 0.02 -0.09 -0.33 -0.04 0.95 0.51 2oi6A1 ASN 377 H 0.05 0.69 0.32 -0.55 8.53 9.05 2oi6A1 ASN 377 HA 0.02 0.19 1.15 -0.75 4.76 5.36 2oi6A1 ASN 377 HB2 0.19 0.04 -0.04 -0.04 2.88 3.03 2oi6A1 ASN 377 HB3 -0.01 -0.09 0.18 -0.04 2.79 2.83 2oi6A1 ASN 377 HD21 0.12 -0.03 -0.04 -0.04 7.03 7.04 2oi6A1 ASN 377 HD22 0.13 0.04 -0.06 -0.04 7.74 7.81 2oi6A1 ILE 378 H -0.03 0.79 0.31 -0.55 8.25 8.76 2oi6A1 ILE 378 HA -0.10 0.07 0.88 -0.75 4.18 4.28 2oi6A1 ILE 378 HB -0.03 -0.04 0.31 -0.04 1.89 2.10 2oi6A1 ILE 378 HG12 -0.03 0.00 -0.20 -0.04 1.49 1.22 2oi6A1 ILE 378 HG13 -0.03 -0.03 -0.12 -0.04 1.21 0.98 2oi6A1 ILE 378 HG23 -0.03 0.03 -0.13 -0.04 0.93 0.76 2oi6A1 ILE 378 HD13 -0.04 0.00 -0.15 -0.04 0.88 0.65 2oi6A1 GLY 379 H -0.17 0.55 0.17 -0.55 8.43 8.44 2oi6A1 GLY 379 HA2 -0.04 -0.05 0.30 -0.51 4.01 3.71 2oi6A1 GLY 379 HA3 -0.11 0.03 0.22 -0.51 4.01 3.64 2oi6A1 ALA 380 H 0.05 0.04 0.18 -0.55 8.40 8.12 2oi6A1 ALA 380 HA 0.19 0.29 0.47 -0.75 4.34 4.54 2oi6A1 ALA 380 HB3 -0.14 -0.01 0.06 -0.04 1.41 1.27 2oi6A1 GLY 381 H 0.09 0.51 0.21 -0.55 8.43 8.70 2oi6A1 GLY 381 HA2 0.05 0.28 0.55 -0.51 4.01 4.38 2oi6A1 GLY 381 HA3 0.02 -0.07 0.63 -0.51 4.01 4.08 2oi6A1 THR 382 H 0.03 0.34 -0.22 -0.55 8.28 7.88 2oi6A1 THR 382 HA 0.01 0.21 0.66 -0.75 4.39 4.53 2oi6A1 THR 382 HB 0.00 -0.04 0.01 -0.04 4.32 4.26 2oi6A1 THR 382 HG23 -0.01 -0.01 -0.18 -0.04 1.22 0.98 2oi6A1 ILE 383 H 0.03 0.64 0.38 -0.55 8.25 8.75 2oi6A1 ILE 383 HA 0.11 0.18 1.05 -0.75 4.18 4.77 2oi6A1 ILE 383 HB 0.07 -0.00 0.09 -0.04 1.89 2.00 2oi6A1 ILE 383 HG12 0.15 -0.07 -0.02 -0.04 1.49 1.51 2oi6A1 ILE 383 HG13 0.08 0.12 -0.73 -0.04 1.21 0.63 2oi6A1 ILE 383 HG23 0.18 -0.03 -0.24 -0.04 0.93 0.79 2oi6A1 ILE 383 HD13 0.05 -0.01 -0.07 -0.04 0.88 0.81 2oi6A1 THR 384 H 0.03 0.54 0.31 -0.55 8.28 8.61 2oi6A1 THR 384 HA 0.03 0.12 0.93 -0.75 4.39 4.71 2oi6A1 THR 384 HB 0.00 0.12 0.06 -0.04 4.32 4.46 2oi6A1 THR 384 HG23 -0.05 0.00 0.02 -0.04 1.22 1.15 2oi6A1 CYS 385 H 0.07 0.72 0.24 -0.55 8.50 8.98 2oi6A1 CYS 385 HA 0.15 0.04 0.67 -0.75 4.58 4.69 2oi6A1 CYS 385 HB2 0.06 -0.03 0.29 -0.04 2.97 3.25 2oi6A1 CYS 385 HB3 0.08 0.03 0.09 -0.04 2.97 3.13 2oi6A1 ASN 386 H 0.21 0.26 0.11 -0.55 8.53 8.57 2oi6A1 ASN 386 HA 0.19 0.19 0.63 -0.75 4.76 5.01 2oi6A1 ASN 386 HB2 0.12 -0.05 0.16 -0.04 2.88 3.07 2oi6A1 ASN 386 HB3 0.11 0.18 0.05 -0.04 2.79 3.09 2oi6A1 ASN 386 HD21 0.20 -0.03 -0.08 -0.04 7.03 7.08 2oi6A1 ASN 386 HD22 0.09 -0.00 -0.15 -0.04 7.74 7.63 2oi6A1 TYR 387 H 0.26 0.16 -0.13 -0.55 8.29 8.03 2oi6A1 TYR 387 HA 0.10 0.37 1.05 -0.75 4.56 5.33 2oi6A1 TYR 387 HB2 0.06 0.02 -0.11 -0.04 3.06 2.98 2oi6A1 TYR 387 HB3 0.06 0.01 0.07 -0.04 2.98 3.08 2oi6A1 TYR 387 HD2 0.01 0.16 -0.11 -0.04 7.15 7.18 2oi6A1 TYR 387 HE2 -0.00 0.06 -0.25 -0.04 6.85 6.62 2oi6A1 ASP 388 H 0.03 0.39 0.26 -0.55 8.40 8.54 2oi6A1 ASP 388 HA -0.05 0.30 0.96 -0.75 4.63 5.08 2oi6A1 ASP 388 HB2 0.01 0.03 0.18 -0.04 2.71 2.89 2oi6A1 ASP 388 HB3 0.16 0.12 0.01 -0.04 2.70 2.94 2oi6A1 GLY 389 H -1.62 0.10 -0.11 -0.55 8.43 6.25 2oi6A1 GLY 389 HA2 -0.79 0.04 0.28 -0.51 4.01 3.02 2oi6A1 GLY 389 HA3 -0.32 0.24 0.79 -0.51 4.01 4.21 2oi6A1 ALA 390 H -0.26 -0.18 -0.07 -0.55 8.40 7.34 2oi6A1 ALA 390 HA 0.08 0.17 0.59 -0.75 4.34 4.43 2oi6A1 ALA 390 HB3 -0.00 0.02 -0.05 -0.04 1.41 1.34 2oi6A1 ASN 391 H -0.00 -0.09 0.17 -0.55 8.53 8.07 2oi6A1 ASN 391 HA -0.04 0.28 1.06 -0.75 4.76 5.30 2oi6A1 ASN 391 HB2 -0.24 0.00 -0.04 -0.04 2.88 2.57 2oi6A1 ASN 391 HB3 -0.42 0.09 0.09 -0.04 2.79 2.50 2oi6A1 ASN 391 HD21 -0.00 0.00 -0.11 -0.04 7.03 6.87 2oi6A1 ASN 391 HD22 -0.06 0.06 -0.04 -0.04 7.74 7.67 2oi6A1 LYS 392 H -0.26 0.19 0.22 -0.55 8.42 8.02 2oi6A1 LYS 392 HA 0.05 0.42 1.13 -0.75 4.32 5.17 2oi6A1 LYS 392 HB2 -0.09 -0.06 0.10 -0.04 1.87 1.77 2oi6A1 LYS 392 HB3 -0.02 0.08 0.03 -0.04 1.79 1.83 2oi6A1 LYS 392 HG2 0.01 -0.09 -0.20 -0.04 1.46 1.14 2oi6A1 LYS 392 HG3 -0.05 -0.01 -0.05 -0.04 1.46 1.32 2oi6A1 LYS 392 HD2 -0.01 0.01 -0.09 -0.04 1.69 1.56 2oi6A1 LYS 392 HD3 0.10 0.09 -0.13 -0.04 1.68 1.70 2oi6A1 LYS 392 HE2 -0.40 -0.02 -0.12 -0.04 2.99 2.42 2oi6A1 LYS 392 HE3 -0.45 -0.03 -0.16 -0.04 2.99 2.30 2oi6A1 PHE 393 H 0.17 0.68 0.35 -0.55 8.34 8.99 2oi6A1 PHE 393 HA 0.03 0.11 0.97 -0.75 4.62 4.98 2oi6A1 PHE 393 HB2 0.04 0.07 -0.28 -0.04 3.15 2.94 2oi6A1 PHE 393 HB3 0.02 -0.06 -0.11 -0.04 3.06 2.87 2oi6A1 PHE 393 HD2 0.03 0.00 -0.16 -0.04 7.28 7.11 2oi6A1 PHE 393 HE2 0.01 -0.07 -0.08 -0.04 7.38 7.19 2oi6A1 PHE 393 HZ 0.01 -0.04 -0.06 -0.04 7.32 7.18 2oi6A1 LYS 394 H 0.18 0.07 0.18 -0.55 8.42 8.29 2oi6A1 LYS 394 HA 0.06 0.54 0.93 -0.75 4.32 5.09 2oi6A1 LYS 394 HB2 0.04 -0.02 0.04 -0.04 1.87 1.88 2oi6A1 LYS 394 HB3 0.06 -0.08 0.10 -0.04 1.79 1.84 2oi6A1 LYS 394 HG2 0.03 0.02 -0.31 -0.04 1.46 1.15 2oi6A1 LYS 394 HG3 0.02 0.06 -0.13 -0.04 1.46 1.37 2oi6A1 LYS 394 HD2 0.03 -0.04 -0.08 -0.04 1.69 1.55 2oi6A1 LYS 394 HD3 0.01 -0.03 -0.13 -0.04 1.68 1.49 2oi6A1 LYS 394 HE2 0.01 -0.03 -0.07 -0.04 2.99 2.85 2oi6A1 LYS 394 HE3 0.01 0.03 -0.12 -0.04 2.99 2.86 2oi6A1 THR 395 H 0.03 0.68 0.55 -0.55 8.28 8.99 2oi6A1 THR 395 HA 0.03 0.18 1.10 -0.75 4.39 4.94 2oi6A1 THR 395 HB -0.00 -0.04 0.15 -0.04 4.32 4.39 2oi6A1 THR 395 HG23 0.00 -0.02 -0.19 -0.04 1.22 0.97 2oi6A1 ILE 396 H 0.01 0.70 0.38 -0.55 8.25 8.80 2oi6A1 ILE 396 HA 0.00 0.25 1.20 -0.75 4.18 4.88 2oi6A1 ILE 396 HB 0.01 -0.07 0.17 -0.04 1.89 1.96 2oi6A1 ILE 396 HG12 0.01 0.03 -0.09 -0.04 1.49 1.39 2oi6A1 ILE 396 HG13 0.02 -0.02 -0.38 -0.04 1.21 0.79 2oi6A1 ILE 396 HG23 0.01 -0.01 -0.15 -0.04 0.93 0.73 2oi6A1 ILE 396 HD13 0.02 -0.01 -0.08 -0.04 0.88 0.76 2oi6A1 ILE 397 H 0.00 0.83 0.40 -0.55 8.25 8.94 2oi6A1 ILE 397 HA 0.01 0.13 1.07 -0.75 4.18 4.63 2oi6A1 ILE 397 HB -0.00 -0.06 0.17 -0.04 1.89 1.95 2oi6A1 ILE 397 HG12 -0.00 0.04 -0.17 -0.04 1.49 1.32 2oi6A1 ILE 397 HG13 -0.00 -0.09 -0.51 -0.04 1.21 0.57 2oi6A1 ILE 397 HG23 0.00 0.05 -0.14 -0.04 0.93 0.80 2oi6A1 ILE 397 HD13 -0.01 0.00 -0.16 -0.04 0.88 0.67 2oi6A1 GLY 398 H 0.01 0.74 0.18 -0.55 8.43 8.82 2oi6A1 GLY 398 HA2 0.01 0.01 0.42 -0.51 4.01 3.94 2oi6A1 GLY 398 HA3 0.01 -0.03 0.33 -0.51 4.01 3.81 2oi6A1 ASP 399 H 0.01 0.05 0.20 -0.55 8.40 8.12 2oi6A1 ASP 399 HA 0.02 0.12 0.42 -0.75 4.63 4.43 2oi6A1 ASP 399 HB2 0.01 -0.02 0.09 -0.04 2.71 2.76 2oi6A1 ASP 399 HB3 0.02 0.15 0.15 -0.04 2.70 2.98 2oi6A1 ASP 400 H 0.03 0.63 0.14 -0.55 8.40 8.66 2oi6A1 ASP 400 HA 0.05 0.30 0.35 -0.75 4.63 4.57 2oi6A1 ASP 400 HB2 0.02 -0.04 -0.11 -0.04 2.71 2.54 2oi6A1 ASP 400 HB3 0.03 0.05 0.21 -0.04 2.70 2.95 2oi6A1 VAL 401 H 0.04 0.09 -0.38 -0.55 8.24 7.44 2oi6A1 VAL 401 HA 0.08 0.42 0.79 -0.75 4.13 4.66 2oi6A1 VAL 401 HB 0.03 -0.03 -0.07 -0.04 2.12 2.01 2oi6A1 VAL 401 HG13 0.03 -0.01 -0.37 -0.04 0.97 0.58 2oi6A1 VAL 401 HG23 0.03 -0.01 -0.26 -0.04 0.95 0.66 2oi6A1 PHE 402 H 0.19 0.62 0.29 -0.55 8.34 8.89 2oi6A1 PHE 402 HA 0.02 0.13 0.97 -0.75 4.62 4.98 2oi6A1 PHE 402 HB2 0.01 0.06 0.01 -0.04 3.15 3.19 2oi6A1 PHE 402 HB3 0.01 -0.05 0.24 -0.04 3.06 3.22 2oi6A1 PHE 402 HD2 0.02 -0.01 -0.04 -0.04 7.28 7.20 2oi6A1 PHE 402 HE2 0.02 -0.03 -0.06 -0.04 7.38 7.27 2oi6A1 PHE 402 HZ 0.02 -0.03 -0.05 -0.04 7.32 7.22 2oi6A1 VAL 403 H -0.28 0.78 0.27 -0.55 8.24 8.46 2oi6A1 VAL 403 HA -0.08 0.08 0.99 -0.75 4.13 4.37 2oi6A1 VAL 403 HB -0.12 -0.13 0.28 -0.04 2.12 2.11 2oi6A1 VAL 403 HG13 -0.05 0.05 -0.09 -0.04 0.97 0.84 2oi6A1 VAL 403 HG23 -0.04 0.01 -0.16 -0.04 0.95 0.72 2oi6A1 GLY 404 H -0.06 0.64 0.18 -0.55 8.43 8.64 2oi6A1 GLY 404 HA2 -0.18 -0.06 0.42 -0.51 4.01 3.69 2oi6A1 GLY 404 HA3 -0.02 0.03 0.16 -0.51 4.01 3.68 2oi6A1 SER 405 H -0.04 0.03 0.18 -0.55 8.46 8.08 2oi6A1 SER 405 HA -0.04 0.11 0.24 -0.75 4.49 4.05 2oi6A1 SER 405 HB2 -0.01 -0.07 0.06 -0.04 3.95 3.89 2oi6A1 SER 405 HB3 -0.02 0.16 0.07 -0.04 3.93 4.10 2oi6A1 ASP 406 H -0.00 0.63 0.13 -0.55 8.40 8.61 2oi6A1 ASP 406 HA 0.01 0.29 0.16 -0.75 4.63 4.33 2oi6A1 ASP 406 HB2 -0.00 -0.08 -0.20 -0.04 2.71 2.38 2oi6A1 ASP 406 HB3 -0.00 -0.02 0.09 -0.04 2.70 2.73 2oi6A1 THR 407 H -0.01 0.12 -0.27 -0.55 8.28 7.57 2oi6A1 THR 407 HA -0.00 0.21 0.70 -0.75 4.39 4.55 2oi6A1 THR 407 HB -0.02 -0.07 0.01 -0.04 4.32 4.20 2oi6A1 THR 407 HG23 -0.00 -0.03 -0.32 -0.04 1.22 0.83 2oi6A1 GLN 408 H 0.01 0.62 0.34 -0.55 8.47 8.89 2oi6A1 GLN 408 HA 0.03 0.25 1.06 -0.75 4.36 4.95 2oi6A1 GLN 408 HB2 0.01 -0.09 0.17 -0.04 2.15 2.20 2oi6A1 GLN 408 HB3 0.03 -0.01 0.03 -0.04 2.02 2.03 2oi6A1 GLN 408 HG2 0.02 -0.03 -0.03 -0.04 2.40 2.32 2oi6A1 GLN 408 HG3 0.02 0.06 -0.25 -0.04 2.39 2.17 2oi6A1 GLN 408 HE21 0.00 -0.01 -0.05 -0.04 6.97 6.87 2oi6A1 GLN 408 HE22 0.01 0.04 -0.08 -0.04 7.69 7.62 2oi6A1 LEU 409 H 0.03 0.66 0.31 -0.55 8.37 8.82 2oi6A1 LEU 409 HA 0.01 0.15 0.93 -0.75 4.35 4.68 2oi6A1 LEU 409 HB2 0.01 -0.06 0.18 -0.04 1.64 1.73 2oi6A1 LEU 409 HB3 0.01 0.01 -0.08 -0.04 1.64 1.55 2oi6A1 LEU 409 HG 0.00 -0.02 -0.40 -0.04 1.64 1.19 2oi6A1 LEU 409 HD13 -0.01 0.00 -0.18 -0.04 0.93 0.71 2oi6A1 LEU 409 HD23 0.00 -0.00 -0.15 -0.04 0.89 0.70 2oi6A1 VAL 410 H 0.00 0.81 0.17 -0.55 8.24 8.68 2oi6A1 VAL 410 HA 0.03 0.06 0.80 -0.75 4.13 4.27 2oi6A1 VAL 410 HB -0.02 0.02 0.20 -0.04 2.12 2.28 2oi6A1 VAL 410 HG13 -0.03 0.02 -0.06 -0.04 0.97 0.86 2oi6A1 VAL 410 HG23 0.00 -0.03 -0.12 -0.04 0.95 0.77 2oi6A1 ALA 411 H 0.05 0.35 0.09 -0.55 8.40 8.35 2oi6A1 ALA 411 HA 0.01 -0.06 0.18 -0.75 4.34 3.71 2oi6A1 ALA 411 HB3 0.14 -0.03 -0.27 -0.04 1.41 1.20 2oi6A1 PRO 412 HA 0.06 0.28 0.41 -0.51 4.44 4.68 2oi6A1 PRO 412 HB2 0.03 -0.01 0.02 -0.04 2.28 2.27 2oi6A1 PRO 412 HB3 0.15 -0.09 0.14 -0.04 2.02 2.19 2oi6A1 PRO 412 HG2 -0.12 0.02 0.14 -0.04 2.03 2.03 2oi6A1 PRO 412 HG3 -0.12 -0.02 0.10 -0.04 2.03 1.95 2oi6A1 PRO 412 HD2 -0.45 0.13 0.28 -0.04 3.68 3.60 2oi6A1 PRO 412 HD3 -1.19 0.03 0.17 -0.04 3.65 2.62 2oi6A1 VAL 413 H 0.02 0.46 0.33 -0.55 8.24 8.50 2oi6A1 VAL 413 HA -0.01 0.07 0.53 -0.75 4.13 3.97 2oi6A1 VAL 413 HB -0.02 0.41 -0.49 -0.04 2.12 1.98 2oi6A1 VAL 413 HG13 0.01 -0.04 -0.38 -0.04 0.97 0.52 2oi6A1 VAL 413 HG23 -0.01 -0.06 -0.42 -0.04 0.95 0.43 2oi6A1 THR 414 H 0.00 0.18 0.13 -0.55 8.28 8.04 2oi6A1 THR 414 HA 0.01 0.32 1.12 -0.75 4.39 5.09 2oi6A1 THR 414 HB 0.01 -0.06 0.09 -0.04 4.32 4.32 2oi6A1 THR 414 HG23 0.01 -0.01 -0.22 -0.04 1.22 0.95 2oi6A1 VAL 415 H 0.01 0.81 0.39 -0.55 8.24 8.90 2oi6A1 VAL 415 HA 0.01 0.07 1.03 -0.75 4.13 4.48 2oi6A1 VAL 415 HB 0.01 -0.07 0.22 -0.04 2.12 2.24 2oi6A1 VAL 415 HG13 0.02 0.04 -0.15 -0.04 0.97 0.83 2oi6A1 VAL 415 HG23 0.01 0.01 -0.15 -0.04 0.95 0.77 2oi6A1 GLY 416 H 0.01 0.75 0.17 -0.55 8.43 8.82 2oi6A1 GLY 416 HA2 0.01 -0.05 0.38 -0.51 4.01 3.83 2oi6A1 GLY 416 HA3 0.01 0.01 0.21 -0.51 4.01 3.73 2oi6A1 LYS 417 H 0.01 0.05 0.19 -0.55 8.42 8.12 2oi6A1 LYS 417 HA 0.02 0.22 0.30 -0.75 4.32 4.11 2oi6A1 LYS 417 HB2 0.01 -0.12 0.20 -0.04 1.87 1.92 2oi6A1 LYS 417 HB3 0.01 -0.03 0.16 -0.04 1.79 1.88 2oi6A1 LYS 417 HG2 0.01 0.05 -0.27 -0.04 1.46 1.21 2oi6A1 LYS 417 HG3 0.02 0.13 -0.01 -0.04 1.46 1.56 2oi6A1 LYS 417 HD2 0.01 -0.08 0.04 -0.04 1.69 1.62 2oi6A1 LYS 417 HD3 0.01 -0.00 -0.01 -0.04 1.68 1.64 2oi6A1 LYS 417 HE2 0.01 0.05 -0.06 -0.04 2.99 2.94 2oi6A1 LYS 417 HE3 0.01 -0.02 -0.06 -0.04 2.99 2.88 2oi6A1 GLY 418 H 0.03 0.66 0.13 -0.55 8.43 8.70 2oi6A1 GLY 418 HA2 0.03 0.20 0.38 -0.51 4.01 4.11 2oi6A1 GLY 418 HA3 0.02 -0.05 0.37 -0.51 4.01 3.84 2oi6A1 ALA 419 H 0.03 0.35 -0.59 -0.55 8.40 7.65 2oi6A1 ALA 419 HA 0.03 0.04 0.57 -0.75 4.34 4.22 2oi6A1 ALA 419 HB3 0.03 0.03 0.01 -0.04 1.41 1.43 2oi6A1 THR 420 H 0.05 0.70 0.32 -0.55 8.28 8.80 2oi6A1 THR 420 HA 0.15 0.20 1.01 -0.75 4.39 4.99 2oi6A1 THR 420 HB 0.06 -0.07 0.08 -0.04 4.32 4.35 2oi6A1 THR 420 HG23 0.19 -0.02 -0.09 -0.04 1.22 1.26 2oi6A1 ILE 421 H 0.10 0.74 0.38 -0.55 8.25 8.92 2oi6A1 ILE 421 HA 0.04 0.16 1.15 -0.75 4.18 4.77 2oi6A1 ILE 421 HB 0.00 -0.11 0.23 -0.04 1.89 1.97 2oi6A1 ILE 421 HG12 0.02 0.01 -0.09 -0.04 1.49 1.39 2oi6A1 ILE 421 HG13 0.03 -0.04 -0.30 -0.04 1.21 0.86 2oi6A1 ILE 421 HG23 0.01 0.06 -0.12 -0.04 0.93 0.83 2oi6A1 ILE 421 HD13 0.00 -0.01 -0.11 -0.04 0.88 0.72 2oi6A1 ALA 422 H 0.03 0.66 0.30 -0.55 8.40 8.84 2oi6A1 ALA 422 HA 0.07 -0.02 0.42 -0.75 4.34 4.05 2oi6A1 ALA 422 HB3 0.03 -0.01 0.10 -0.04 1.41 1.48 2oi6A1 ALA 423 H 0.05 0.04 0.18 -0.55 8.40 8.12 2oi6A1 ALA 423 HA 0.00 0.12 0.24 -0.75 4.34 3.95 2oi6A1 ALA 423 HB3 0.02 -0.01 0.10 -0.04 1.41 1.48 2oi6A1 GLY 424 H -0.00 0.71 0.03 -0.55 8.43 8.62 2oi6A1 GLY 424 HA2 -0.00 0.20 0.29 -0.51 4.01 3.98 2oi6A1 GLY 424 HA3 -0.00 -0.04 0.34 -0.51 4.01 3.79 2oi6A1 THR 425 H 0.00 0.21 -0.27 -0.55 8.28 7.68 2oi6A1 THR 425 HA 0.00 0.14 0.58 -0.75 4.39 4.36 2oi6A1 THR 425 HB 0.00 -0.03 -0.07 -0.04 4.32 4.19 2oi6A1 THR 425 HG23 0.00 -0.04 -0.39 -0.04 1.22 0.75 2oi6A1 THR 426 H 0.00 0.20 0.17 -0.55 8.28 8.10 2oi6A1 THR 426 HA 0.00 0.17 0.96 -0.75 4.39 4.77 2oi6A1 THR 426 HB -0.00 -0.04 0.20 -0.04 4.32 4.44 2oi6A1 THR 426 HG23 -0.00 -0.01 -0.10 -0.04 1.22 1.06 2oi6A1 VAL 427 H 0.00 0.88 0.23 -0.55 8.24 8.81 2oi6A1 VAL 427 HA -0.00 0.08 0.84 -0.75 4.13 4.30 2oi6A1 VAL 427 HB 0.00 -0.05 0.18 -0.04 2.12 2.21 2oi6A1 VAL 427 HG13 -0.00 -0.01 -0.16 -0.04 0.97 0.76 2oi6A1 VAL 427 HG23 0.00 0.01 -0.17 -0.04 0.95 0.76 2oi6A1 THR 428 H -0.01 0.14 0.20 -0.55 8.28 8.06 2oi6A1 THR 428 HA -0.02 0.27 0.87 -0.75 4.39 4.75 2oi6A1 THR 428 HB -0.03 0.02 0.10 -0.04 4.32 4.37 2oi6A1 THR 428 HG23 -0.01 0.01 -0.14 -0.04 1.22 1.04 2oi6A1 ARG 429 H -0.01 0.09 0.13 -0.55 8.46 8.12 2oi6A1 ARG 429 HA -0.02 0.23 0.96 -0.75 4.34 4.76 2oi6A1 ARG 429 HB2 -0.01 -0.02 0.05 -0.04 1.90 1.88 2oi6A1 ARG 429 HB3 -0.01 0.00 0.11 -0.04 1.80 1.86 2oi6A1 ARG 429 HG2 -0.02 0.04 -0.00 -0.04 1.67 1.65 2oi6A1 ARG 429 HG3 -0.02 -0.06 -0.39 -0.04 1.67 1.17 2oi6A1 ARG 429 HD2 -0.01 0.00 -0.01 -0.04 3.22 3.16 2oi6A1 ARG 429 HD3 -0.01 -0.02 0.01 -0.04 3.22 3.16 2oi6A1 ASN 430 H -0.01 0.09 0.18 -0.55 8.53 8.25 2oi6A1 ASN 430 HA -0.00 0.06 0.47 -0.75 4.76 4.53 2oi6A1 ASN 430 HB2 -0.00 -0.04 0.11 -0.04 2.88 2.91 2oi6A1 ASN 430 HB3 0.00 0.07 0.08 -0.04 2.79 2.89 2oi6A1 ASN 430 HD21 -0.00 0.02 0.02 -0.04 7.03 7.03 2oi6A1 ASN 430 HD22 -0.00 -0.01 0.03 -0.04 7.74 7.72 2oi6A1 VAL 431 H 0.00 0.54 0.47 -0.55 8.24 8.70 2oi6A1 VAL 431 HA 0.01 0.17 0.99 -0.75 4.13 4.55 2oi6A1 VAL 431 HB 0.01 -0.14 0.22 -0.04 2.12 2.17 2oi6A1 VAL 431 HG13 0.01 0.06 -0.11 -0.04 0.97 0.90 2oi6A1 VAL 431 HG23 0.01 0.02 -0.06 -0.04 0.95 0.88 2oi6A1 GLY 432 H 0.01 0.15 0.10 -0.55 8.43 8.14 2oi6A1 GLY 432 HA2 0.01 0.03 0.43 -0.51 4.01 3.96 2oi6A1 GLY 432 HA3 0.01 0.08 0.31 -0.51 4.01 3.90 2oi6A1 GLU 433 H 0.01 0.07 0.16 -0.55 8.60 8.29 2oi6A1 GLU 433 HA 0.01 0.14 0.31 -0.75 4.29 3.99 2oi6A1 GLU 433 HB2 0.01 -0.03 0.10 -0.04 2.09 2.13 2oi6A1 GLU 433 HB3 0.01 0.11 -0.00 -0.04 1.99 2.07 2oi6A1 GLU 433 HG2 0.01 -0.15 0.12 -0.04 2.34 2.28 2oi6A1 GLU 433 HG3 0.01 -0.05 0.14 -0.04 2.34 2.40 2oi6A1 ASN 434 H 0.02 0.40 0.04 -0.55 8.53 8.44 2oi6A1 ASN 434 HA 0.02 0.22 0.02 -0.75 4.76 4.25 2oi6A1 ASN 434 HB2 0.01 0.12 -0.07 -0.04 2.88 2.90 2oi6A1 ASN 434 HB3 0.01 -0.03 0.16 -0.04 2.79 2.89 2oi6A1 ASN 434 HD21 0.01 -0.04 -0.13 -0.04 7.03 6.83 2oi6A1 ASN 434 HD22 0.01 0.03 -0.31 -0.04 7.74 7.43 2oi6A1 ALA 435 H 0.02 0.30 -0.40 -0.55 8.40 7.77 2oi6A1 ALA 435 HA 0.01 0.19 0.93 -0.75 4.34 4.71 2oi6A1 ALA 435 HB3 0.01 0.02 -0.08 -0.04 1.41 1.32 2oi6A1 LEU 436 H 0.01 0.15 0.18 -0.55 8.37 8.16 2oi6A1 LEU 436 HA 0.03 0.32 0.97 -0.75 4.35 4.92 2oi6A1 LEU 436 HB2 0.02 -0.00 0.08 -0.04 1.64 1.70 2oi6A1 LEU 436 HB3 0.01 -0.05 0.17 -0.04 1.64 1.74 2oi6A1 LEU 436 HG 0.02 0.04 -0.34 -0.04 1.64 1.31 2oi6A1 LEU 436 HD13 0.05 0.03 -0.10 -0.04 0.93 0.86 2oi6A1 LEU 436 HD23 0.02 -0.02 -0.04 -0.04 0.89 0.80 2oi6A1 ALA 437 H 0.03 0.68 0.47 -0.55 8.40 9.03 2oi6A1 ALA 437 HA 0.01 0.15 0.90 -0.75 4.34 4.65 2oi6A1 ALA 437 HB3 0.01 -0.01 0.07 -0.04 1.41 1.44 2oi6A1 ILE 438 H 0.01 0.35 0.23 -0.55 8.25 8.29 2oi6A1 ILE 438 HA 0.01 0.09 0.64 -0.75 4.18 4.16 2oi6A1 ILE 438 HB 0.02 0.06 -0.31 -0.04 1.89 1.62 2oi6A1 ILE 438 HG12 0.01 -0.07 -0.08 -0.04 1.49 1.31 2oi6A1 ILE 438 HG13 0.01 -0.01 0.04 -0.04 1.21 1.20 2oi6A1 ILE 438 HG23 0.01 0.01 -0.10 -0.04 0.93 0.81 2oi6A1 ILE 438 HD13 0.01 0.00 -0.04 -0.04 0.88 0.81 2oi6A1 SER 439 H 0.00 0.22 -0.09 -0.55 8.46 8.05 2oi6A1 SER 439 HA 0.00 0.10 0.54 -0.75 4.49 4.37 2oi6A1 SER 439 HB2 -0.00 0.02 0.20 -0.04 3.95 4.13 2oi6A1 SER 439 HB3 -0.00 0.10 0.02 -0.04 3.93 4.01 2oi6A1 ARG 440 H 0.00 0.19 0.06 -0.55 8.46 8.17 2oi6A1 ARG 440 HA -0.00 0.20 0.91 -0.75 4.34 4.69 2oi6A1 ARG 440 HB2 0.00 0.03 -0.12 -0.04 1.90 1.77 2oi6A1 ARG 440 HB3 0.00 -0.06 0.01 -0.04 1.80 1.71 2oi6A1 ARG 440 HG2 -0.00 -0.00 -0.63 -0.04 1.67 0.99 2oi6A1 ARG 440 HG3 -0.00 0.06 -0.08 -0.04 1.67 1.61 2oi6A1 ARG 440 HD2 0.00 -0.06 -0.10 -0.04 3.22 3.03 2oi6A1 ARG 440 HD3 0.00 -0.02 -0.08 -0.04 3.22 3.08 2oi6A1 VAL 441 H -0.01 0.18 0.15 -0.55 8.24 8.01 2oi6A1 VAL 441 HA -0.01 0.15 0.68 -0.75 4.13 4.20 2oi6A1 VAL 441 HB -0.02 -0.03 0.12 -0.04 2.12 2.16 2oi6A1 VAL 441 HG13 -0.01 0.07 -0.05 -0.04 0.97 0.93 2oi6A1 VAL 441 HG23 -0.01 -0.00 -0.00 -0.04 0.95 0.90 2oi6A1 PRO 442 HA -0.01 -0.01 0.40 -0.51 4.44 4.31 2oi6A1 PRO 442 HB2 -0.01 0.03 -0.07 -0.04 2.28 2.19 2oi6A1 PRO 442 HB3 -0.00 0.01 0.07 -0.04 2.02 2.06 2oi6A1 PRO 442 HG2 -0.00 0.01 0.07 -0.04 2.03 2.07 2oi6A1 PRO 442 HG3 -0.00 0.04 0.08 -0.04 2.03 2.11 2oi6A1 PRO 442 HD2 -0.01 0.05 0.20 -0.04 3.68 3.88 2oi6A1 PRO 442 HD3 -0.00 0.23 0.29 -0.04 3.65 4.13 2oi6A1 GLN 443 H -0.01 0.05 0.17 -0.55 8.47 8.14 2oi6A1 GLN 443 HA -0.02 0.08 0.45 -0.75 4.36 4.11 2oi6A1 GLN 443 HB2 -0.01 0.00 0.14 -0.04 2.15 2.24 2oi6A1 GLN 443 HB3 -0.01 -0.05 0.14 -0.04 2.02 2.05 2oi6A1 GLN 443 HG2 -0.02 0.09 -0.18 -0.04 2.40 2.24 2oi6A1 GLN 443 HG3 -0.03 0.01 0.06 -0.04 2.39 2.39 2oi6A1 GLN 443 HE21 -0.01 -0.03 -0.04 -0.04 6.97 6.85 2oi6A1 GLN 443 HE22 -0.02 0.03 -0.09 -0.04 7.69 7.57 2oi6A1 THR 444 H -0.03 0.18 0.22 -0.55 8.28 8.10 2oi6A1 THR 444 HA -0.01 0.19 0.85 -0.75 4.39 4.66 2oi6A1 THR 444 HB -0.01 -0.08 0.11 -0.04 4.32 4.29 2oi6A1 THR 444 HG23 -0.01 0.04 -0.16 -0.04 1.22 1.05 2oi6A1 GLN 445 H -0.01 0.24 0.15 -0.55 8.47 8.31 2oi6A1 GLN 445 HA -0.04 0.14 0.86 -0.75 4.36 4.58 2oi6A1 GLN 445 HB2 -0.01 0.08 -0.35 -0.04 2.15 1.82 2oi6A1 GLN 445 HB3 -0.00 -0.02 -0.05 -0.04 2.02 1.91 2oi6A1 GLN 445 HG2 0.02 -0.06 -0.43 -0.04 2.40 1.89 2oi6A1 GLN 445 HG3 -0.00 0.04 -0.07 -0.04 2.39 2.31 2oi6A1 GLN 445 HE21 0.01 0.01 -0.06 -0.04 6.97 6.89 2oi6A1 GLN 445 HE22 0.02 -0.05 -0.13 -0.04 7.69 7.49 2oi6A1 LYS 446 H -0.02 0.25 0.13 -0.55 8.42 8.23 2oi6A1 LYS 446 HA 0.05 0.13 0.86 -0.75 4.32 4.61 2oi6A1 LYS 446 HB2 0.02 -0.00 -0.04 -0.04 1.87 1.80 2oi6A1 LYS 446 HB3 0.05 -0.01 0.11 -0.04 1.79 1.89 2oi6A1 LYS 446 HG2 0.27 -0.01 -0.04 -0.04 1.46 1.64 2oi6A1 LYS 446 HG3 0.19 0.15 -0.13 -0.04 1.46 1.63 2oi6A1 LYS 446 HD2 0.06 0.01 0.10 -0.04 1.69 1.83 2oi6A1 LYS 446 HD3 0.07 -0.01 -0.01 -0.04 1.68 1.69 2oi6A1 LYS 446 HE2 0.08 0.02 0.02 -0.04 2.99 3.07 2oi6A1 LYS 446 HE3 0.06 -0.02 0.01 -0.04 2.99 3.00 2oi6A1 GLU 447 H 0.06 0.14 0.08 -0.55 8.60 8.34 2oi6A1 GLU 447 HA 0.07 0.05 0.48 -0.75 4.29 4.13 2oi6A1 GLU 447 HB2 0.04 0.01 0.12 -0.04 2.09 2.21 2oi6A1 GLU 447 HB3 0.04 0.05 -0.07 -0.04 1.99 1.97 2oi6A1 GLU 447 HG2 0.03 0.02 0.01 -0.04 2.34 2.36 2oi6A1 GLU 447 HG3 0.04 -0.04 0.07 -0.04 2.34 2.36 2oi6A1 GLY 448 H 0.07 0.10 0.15 -0.55 8.43 8.21 2oi6A1 GLY 448 HA2 0.06 0.03 0.31 -0.51 4.01 3.90 2oi6A1 GLY 448 HA3 0.04 0.03 0.31 -0.51 4.01 3.87 2oi6A1 TRP 449 H 0.25 0.07 -0.12 -0.55 7.97 7.63 2oi6A1 TRP 449 HA -0.00 0.10 0.54 -0.75 4.62 4.50 2oi6A1 TRP 449 HB2 -0.00 0.10 0.02 -0.04 3.23 3.31 2oi6A1 TRP 449 HB3 -0.00 -0.04 -0.00 -0.04 3.23 3.14 2oi6A1 TRP 449 HD1 -0.00 0.01 -0.07 -0.04 7.22 7.12 2oi6A1 TRP 449 HE1 -0.00 -0.02 -0.02 -0.04 10.20 10.12 2oi6A1 TRP 449 HE3 -0.00 -0.06 -0.30 -0.04 7.59 7.20 2oi6A1 TRP 449 HZ2 -0.00 -0.02 -0.02 -0.04 7.44 7.36 2oi6A1 TRP 449 HZ3 -0.00 -0.05 -0.08 -0.04 7.13 6.95 2oi6A1 TRP 449 HH2 -0.00 -0.02 -0.01 -0.04 7.19 7.12 2oi6A1 ARG 450 H -0.69 0.20 0.15 -0.55 8.46 7.57 2oi6A1 ARG 450 HA -0.12 0.11 0.87 -0.75 4.34 4.44 2oi6A1 ARG 451 H -0.04 0.10 0.10 -0.55 8.46 8.07 2oi6A1 ARG 451 HA -0.11 0.07 0.42 -0.75 4.34 3.97 2oi6A1 ARG 451 HB2 0.06 -0.03 0.09 -0.04 1.90 1.98 2oi6A1 ARG 451 HB3 0.11 0.08 0.07 -0.04 1.80 2.01 2oi6A1 ARG 451 HG2 0.57 0.01 0.00 -0.04 1.67 2.21 2oi6A1 ARG 451 HG3 0.31 -0.02 0.00 -0.04 1.67 1.92 2oi6A1 ARG 451 HD2 0.14 0.02 0.02 -0.04 3.22 3.35 2oi6A1 ARG 451 HD3 0.16 -0.02 0.00 -0.04 3.22 3.32 2oi6A1 PRO 452 HA -0.09 0.00 0.39 -0.51 4.44 4.23 2oi6A1 PRO 452 HB2 0.02 0.01 0.01 -0.04 2.28 2.28 2oi6A1 PRO 452 HB3 -0.01 0.03 0.09 -0.04 2.02 2.09 2oi6A1 PRO 452 HG2 0.09 0.02 0.08 -0.04 2.03 2.18 2oi6A1 PRO 452 HG3 0.02 0.05 0.10 -0.04 2.03 2.15 2oi6A1 PRO 452 HD2 0.11 0.08 0.17 -0.04 3.68 4.00 2oi6A1 PRO 452 HD3 0.13 0.11 0.23 -0.04 3.65 4.08 2oi6A1 VAL 453 H -0.05 0.06 0.07 -0.55 8.24 7.78 2oi6A1 VAL 453 HA -0.02 0.22 0.55 -0.75 4.13 4.13 2oi6A1 VAL 453 HB -0.02 0.01 0.07 -0.04 2.12 2.13 2oi6A1 VAL 453 HG13 -0.05 0.02 -0.02 -0.04 0.97 0.88 2oi6A1 VAL 453 HG23 -0.03 -0.00 0.07 -0.04 0.95 0.94