============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 39 rings ring int. center anis. iso. HIS 5 0.900 33.384 58.092 -13.660 -99.200 -91.000 PHE 33 1.000 38.431 61.381 1.020 -99.200 -91.000 TYR 36 0.840 34.564 59.502 13.551 -99.200 -91.000 PHE 39 1.000 33.845 49.055 16.833 -99.200 -91.000 HIS 46 0.900 22.830 43.873 15.489 -99.200 -91.000 TYR 70 0.840 37.384 56.989 19.294 -99.200 -91.000 TRP 74 1.040 37.246 56.536 28.982 -99.200 -91.000 TRP6 74 1.020 35.804 58.407 28.901 -99.200 -91.000 PHE 75 1.000 33.357 58.066 24.448 -99.200 -91.000 TYR 95 0.840 33.381 38.513 17.814 -99.200 -91.000 PHE 96 1.000 31.845 44.511 17.761 -99.200 -91.000 PHE 100 1.000 34.700 46.063 11.943 -99.200 -91.000 PHE 112 1.000 41.169 48.363 12.874 -99.200 -91.000 TRP 114 1.040 42.123 49.687 20.524 -99.200 -91.000 TRP6 114 1.020 40.680 48.040 21.411 -99.200 -91.000 PHE 118 1.000 42.466 60.596 20.378 -99.200 -91.000 TYR 125 0.840 38.354 62.487 22.625 -99.200 -91.000 PHE 135 1.000 27.425 75.747 19.469 -99.200 -91.000 PHE 144 1.000 27.164 66.547 31.284 -99.200 -91.000 TYR 145 0.840 24.679 60.245 22.953 -99.200 -91.000 PHE 154 1.000 34.626 69.613 15.342 -99.200 -91.000 TYR 180 0.840 32.844 73.225 18.791 -99.200 -91.000 HIS 194 0.900 25.900 53.301 7.902 -99.200 -91.000 HIS 195 0.900 17.735 51.800 5.202 -99.200 -91.000 PHE 217 1.000 22.883 39.537 16.796 -99.200 -91.000 TYR 233 0.840 5.843 41.932 7.557 -99.200 -91.000 PHE 239 1.000 6.602 51.375 2.722 -99.200 -91.000 PHE 244 1.000 13.807 45.782 -2.402 -99.200 -91.000 TYR 246 0.840 19.040 41.397 6.732 -99.200 -91.000 TYR 249 0.840 19.078 49.748 2.076 -99.200 -91.000 TRP 254 1.040 30.069 40.555 0.557 -99.200 -91.000 TRP6 254 1.020 31.373 41.776 2.105 -99.200 -91.000 PHE 255 1.000 27.811 37.271 -1.913 -99.200 -91.000 TYR 265 0.840 16.676 39.216 -10.505 -99.200 -91.000 PHE 275 1.000 10.480 41.165 -2.829 -99.200 -91.000 TYR 290 0.840 23.728 34.685 -3.515 -99.200 -91.000 HIS 301 0.900 40.113 36.007 10.763 -99.200 -91.000 PHE 302 1.000 36.790 35.212 15.125 -99.200 -91.000 TYR 317 0.840 33.873 37.958 27.652 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 2j5bB1 THR -1 HA -0.11 -0.01 0.20 -0.75 4.39 3.73 2j5bB1 THR -1 HB -0.03 0.04 0.06 -0.04 4.32 4.34 2j5bB1 THR -1 HG23 0.06 0.01 -0.09 -0.04 1.22 1.16 2j5bB1 ASN 0 H 0.02 0.31 0.14 -0.55 8.53 8.46 2j5bB1 ASN 0 HA 0.22 0.06 0.50 -0.75 4.76 4.79 2j5bB1 ASN 0 HB2 0.06 0.01 0.15 -0.04 2.88 3.07 2j5bB1 ASN 0 HB3 0.04 0.05 0.13 -0.04 2.79 2.96 2j5bB1 ASN 0 HD21 0.04 0.07 -0.02 -0.04 7.03 7.07 2j5bB1 ASN 0 HD22 0.03 0.03 -0.05 -0.04 7.74 7.71 2j5bB1 ASN 1 H -0.01 0.18 -0.12 -0.55 8.53 8.03 2j5bB1 ASN 1 HA 0.02 0.18 0.46 -0.75 4.76 4.66 2j5bB1 ASN 1 HB2 -0.02 -0.03 -0.03 -0.04 2.88 2.76 2j5bB1 ASN 1 HB3 -0.01 0.04 -0.09 -0.04 2.79 2.69 2j5bB1 ASN 1 HD21 0.01 0.06 0.05 -0.04 7.03 7.11 2j5bB1 ASN 1 HD22 -0.01 -0.06 0.04 -0.04 7.74 7.67 2j5bB1 GLU 2 H -0.10 0.18 -0.64 -0.55 8.60 7.49 2j5bB1 GLU 2 HA -0.07 0.09 0.49 -0.75 4.29 4.04 2j5bB1 GLU 2 HB2 -0.33 0.28 0.15 -0.04 2.09 2.14 2j5bB1 GLU 2 HB3 -0.17 -0.03 0.01 -0.04 1.99 1.75 2j5bB1 GLU 2 HG2 -0.08 0.00 -0.02 -0.04 2.34 2.21 2j5bB1 GLU 2 HG3 -0.09 -0.06 -0.03 -0.04 2.34 2.12 2j5bB1 HIS 3 H -0.18 0.39 -0.07 -0.55 8.41 8.00 2j5bB1 HIS 3 HA -0.00 0.02 0.44 -0.75 4.63 4.33 2j5bB1 HIS 3 HB2 0.00 0.13 0.20 -0.04 3.26 3.56 2j5bB1 HIS 3 HB3 -0.00 -0.00 0.02 -0.04 3.20 3.17 2j5bB1 HIS 3 HD2 -0.00 -0.06 -0.05 -0.04 6.97 6.82 2j5bB1 HIS 3 HE1 -0.00 -0.03 -0.02 -0.04 7.75 7.65 2j5bB1 ARG 4 H 0.09 0.54 -0.03 -0.55 8.46 8.51 2j5bB1 ARG 4 HA 0.06 0.02 0.35 -0.75 4.34 4.02 2j5bB1 ARG 4 HB2 0.04 -0.00 0.11 -0.04 1.90 2.01 2j5bB1 ARG 4 HB3 0.06 0.07 0.04 -0.04 1.80 1.93 2j5bB1 ARG 4 HG2 0.06 0.00 0.08 -0.04 1.67 1.78 2j5bB1 ARG 4 HG3 0.07 0.06 0.13 -0.04 1.67 1.89 2j5bB1 ARG 4 HD2 0.05 -0.04 -0.03 -0.04 3.22 3.16 2j5bB1 ARG 4 HD3 0.05 -0.09 -0.06 -0.04 3.22 3.08 2j5bB1 LEU 5 H 0.01 0.26 -0.67 -0.55 8.37 7.41 2j5bB1 LEU 5 HA -0.02 0.04 0.38 -0.75 4.35 4.00 2j5bB1 LEU 5 HB2 -0.03 0.14 0.11 -0.04 1.64 1.82 2j5bB1 LEU 5 HB3 -0.02 0.10 0.14 -0.04 1.64 1.81 2j5bB1 LEU 5 HG -0.02 -0.04 -0.26 -0.04 1.64 1.28 2j5bB1 LEU 5 HD13 -0.04 -0.00 -0.10 -0.04 0.93 0.74 2j5bB1 LEU 5 HD23 -0.03 -0.02 -0.03 -0.04 0.89 0.77 2j5bB1 THR 6 H 0.01 0.55 -0.03 -0.55 8.28 8.25 2j5bB1 THR 6 HA 0.01 -0.02 0.34 -0.75 4.39 3.96 2j5bB1 THR 6 HB 0.02 -0.07 0.04 -0.04 4.32 4.27 2j5bB1 THR 6 HG23 0.00 0.12 0.07 -0.04 1.22 1.36 2j5bB1 GLN 7 H 0.04 0.63 -0.28 -0.55 8.47 8.31 2j5bB1 GLN 7 HA 0.02 -0.00 0.39 -0.75 4.36 4.01 2j5bB1 GLN 7 HB2 0.04 0.16 0.13 -0.04 2.15 2.43 2j5bB1 GLN 7 HB3 0.02 0.02 -0.04 -0.04 2.02 1.99 2j5bB1 GLN 7 HG2 0.01 -0.06 -0.00 -0.04 2.40 2.31 2j5bB1 GLN 7 HG3 0.02 -0.01 -0.06 -0.04 2.39 2.30 2j5bB1 GLN 7 HE21 -0.03 0.01 -0.04 -0.04 6.97 6.88 2j5bB1 GLN 7 HE22 -0.02 -0.04 -0.04 -0.04 7.69 7.54 2j5bB1 LEU 8 H 0.02 0.57 -0.00 -0.55 8.37 8.41 2j5bB1 LEU 8 HA 0.02 -0.01 0.29 -0.75 4.35 3.90 2j5bB1 LEU 8 HB2 -0.01 0.10 0.07 -0.04 1.64 1.76 2j5bB1 LEU 8 HB3 -0.01 -0.09 -0.02 -0.04 1.64 1.48 2j5bB1 LEU 8 HG 0.05 0.14 0.10 -0.04 1.64 1.89 2j5bB1 LEU 8 HD13 -0.04 -0.00 -0.06 -0.04 0.93 0.78 2j5bB1 LEU 8 HD23 0.12 -0.02 -0.07 -0.04 0.89 0.88 2j5bB1 LEU 9 H 0.01 0.40 -0.63 -0.55 8.37 7.59 2j5bB1 LEU 9 HA 0.01 0.01 0.57 -0.75 4.35 4.19 2j5bB1 LEU 9 HB2 0.00 0.14 0.05 -0.04 1.64 1.79 2j5bB1 LEU 9 HB3 0.01 -0.07 -0.01 -0.04 1.64 1.52 2j5bB1 LEU 9 HG -0.01 0.11 -0.08 -0.04 1.64 1.61 2j5bB1 LEU 9 HD13 -0.01 -0.04 -0.10 -0.04 0.93 0.75 2j5bB1 LEU 9 HD23 -0.01 -0.03 -0.09 -0.04 0.89 0.72 2j5bB1 SER 10 H 0.01 0.62 -0.14 -0.55 8.46 8.41 2j5bB1 SER 10 HA 0.02 -0.01 0.43 -0.75 4.49 4.18 2j5bB1 SER 10 HB2 0.00 -0.13 0.09 -0.04 3.95 3.87 2j5bB1 SER 10 HB3 0.01 0.07 0.17 -0.04 3.93 4.14 2j5bB1 ILE 11 H 0.02 0.24 -0.40 -0.55 8.25 7.57 2j5bB1 ILE 11 HA 0.04 0.08 0.50 -0.75 4.18 4.05 2j5bB1 ILE 11 HB 0.02 -0.09 0.00 -0.04 1.89 1.78 2j5bB1 ILE 11 HG12 0.03 0.37 0.00 -0.04 1.49 1.85 2j5bB1 ILE 11 HG13 0.05 -0.04 -0.56 -0.04 1.21 0.62 2j5bB1 ILE 11 HG23 0.01 0.03 -0.08 -0.04 0.93 0.85 2j5bB1 ILE 11 HD13 0.03 -0.03 -0.07 -0.04 0.88 0.76 2j5bB1 ALA 12 H 0.04 0.22 -0.35 -0.55 8.40 7.76 2j5bB1 ALA 12 HA 0.08 0.07 0.58 -0.75 4.34 4.31 2j5bB1 ALA 12 HB3 0.03 0.04 -0.03 -0.04 1.41 1.40 2j5bB1 GLU 13 H 0.06 0.73 0.48 -0.55 8.60 9.31 2j5bB1 GLU 13 HA 0.08 0.16 0.74 -0.75 4.29 4.52 2j5bB1 GLU 13 HB2 0.13 -0.11 0.06 -0.04 2.09 2.14 2j5bB1 GLU 13 HB3 0.06 -0.00 -0.03 -0.04 1.99 1.97 2j5bB1 GLU 13 HG2 0.08 0.00 -0.02 -0.04 2.34 2.36 2j5bB1 GLU 13 HG3 0.12 0.04 0.08 -0.04 2.34 2.54 2j5bB1 GLU 14 H 0.02 0.36 0.28 -0.55 8.60 8.72 2j5bB1 GLU 14 HA 0.02 0.16 0.67 -0.75 4.29 4.38 2j5bB1 GLU 14 HB2 -0.00 -0.07 -0.01 -0.04 2.09 1.97 2j5bB1 GLU 14 HB3 0.00 -0.01 -0.05 -0.04 1.99 1.89 2j5bB1 GLU 14 HG2 0.02 0.06 0.05 -0.04 2.34 2.42 2j5bB1 GLU 14 HG3 0.02 0.02 -0.39 -0.04 2.34 1.96 2j5bB1 CYS 15 H 0.00 0.24 0.09 -0.55 8.50 8.29 2j5bB1 CYS 15 HA -0.01 0.32 0.80 -0.75 4.58 4.95 2j5bB1 CYS 15 HB2 -0.00 0.08 -0.14 -0.04 2.97 2.87 2j5bB1 CYS 15 HB3 -0.00 -0.10 -0.07 -0.04 2.97 2.76 2j5bB1 GLU 16 H -0.01 0.48 0.22 -0.55 8.60 8.74 2j5bB1 GLU 16 HA -0.00 0.00 0.62 -0.75 4.29 4.15 2j5bB1 GLU 16 HB2 -0.01 -0.23 0.35 -0.04 2.09 2.16 2j5bB1 GLU 16 HB3 -0.00 0.10 0.16 -0.04 1.99 2.21 2j5bB1 GLU 16 HG2 -0.00 -0.06 -0.01 -0.04 2.34 2.23 2j5bB1 GLU 16 HG3 0.01 0.09 0.02 -0.04 2.34 2.41 2j5bB1 THR 17 H -0.00 0.22 0.28 -0.55 8.28 8.23 2j5bB1 THR 17 HA -0.01 -0.03 0.46 -0.75 4.39 4.06 2j5bB1 THR 17 HB -0.01 -0.06 0.12 -0.04 4.32 4.34 2j5bB1 THR 17 HG23 -0.00 0.01 -0.20 -0.04 1.22 1.00 2j5bB1 LEU 18 H -0.01 0.16 0.13 -0.55 8.37 8.10 2j5bB1 LEU 18 HA -0.02 0.17 0.38 -0.75 4.35 4.13 2j5bB1 LEU 18 HB2 -0.01 0.04 0.08 -0.04 1.64 1.71 2j5bB1 LEU 18 HB3 -0.01 -0.03 0.06 -0.04 1.64 1.62 2j5bB1 LEU 18 HG -0.02 0.06 -0.01 -0.04 1.64 1.64 2j5bB1 LEU 18 HD13 -0.01 0.01 -0.04 -0.04 0.93 0.86 2j5bB1 LEU 18 HD23 -0.02 -0.01 -0.15 -0.04 0.89 0.66 2j5bB1 ASP 19 H -0.01 0.01 -0.16 -0.55 8.40 7.68 2j5bB1 ASP 19 HA -0.02 0.09 0.33 -0.75 4.63 4.28 2j5bB1 ASP 19 HB2 -0.01 -0.01 0.10 -0.04 2.71 2.76 2j5bB1 ASP 19 HB3 -0.01 -0.05 0.10 -0.04 2.70 2.69 2j5bB1 ARG 20 H -0.02 0.13 -0.12 -0.55 8.46 7.90 2j5bB1 ARG 20 HA -0.03 0.03 0.37 -0.75 4.34 3.96 2j5bB1 ARG 20 HB2 -0.02 0.14 0.15 -0.04 1.90 2.13 2j5bB1 ARG 20 HB3 -0.03 0.09 -0.03 -0.04 1.80 1.79 2j5bB1 ARG 20 HG2 -0.01 0.07 0.04 -0.04 1.67 1.72 2j5bB1 ARG 20 HG3 -0.01 -0.10 0.04 -0.04 1.67 1.56 2j5bB1 ARG 20 HD2 -0.00 0.00 -0.00 -0.04 3.22 3.18 2j5bB1 ARG 20 HD3 -0.01 -0.11 0.02 -0.04 3.22 3.08 2j5bB1 LEU 21 H -0.04 0.25 -0.44 -0.55 8.37 7.59 2j5bB1 LEU 21 HA -0.11 0.06 0.39 -0.75 4.35 3.93 2j5bB1 LEU 21 HB2 -0.05 0.08 0.05 -0.04 1.64 1.67 2j5bB1 LEU 21 HB3 -0.06 0.07 -0.01 -0.04 1.64 1.60 2j5bB1 LEU 21 HG -0.10 -0.01 -0.07 -0.04 1.64 1.42 2j5bB1 LEU 21 HD13 -0.05 -0.00 -0.14 -0.04 0.93 0.71 2j5bB1 LEU 21 HD23 -0.15 -0.01 -0.05 -0.04 0.89 0.64 2j5bB1 LYS 22 H -0.04 0.55 -0.12 -0.55 8.42 8.26 2j5bB1 LYS 22 HA -0.05 0.02 0.42 -0.75 4.32 3.95 2j5bB1 LYS 22 HB2 -0.03 0.03 0.09 -0.04 1.87 1.92 2j5bB1 LYS 22 HB3 -0.03 0.10 0.17 -0.04 1.79 1.98 2j5bB1 LYS 22 HG2 -0.03 -0.02 -0.11 -0.04 1.46 1.26 2j5bB1 LYS 22 HG3 -0.03 -0.01 0.02 -0.04 1.46 1.39 2j5bB1 LYS 22 HD2 -0.02 -0.04 -0.05 -0.04 1.69 1.54 2j5bB1 LYS 22 HD3 -0.02 -0.01 -0.05 -0.04 1.68 1.56 2j5bB1 LYS 22 HE2 -0.03 -0.00 -0.04 -0.04 2.99 2.88 2j5bB1 LYS 22 HE3 -0.02 -0.03 -0.04 -0.04 2.99 2.86 2j5bB1 GLN 23 H -0.04 0.49 -0.13 -0.55 8.47 8.24 2j5bB1 GLN 23 HA -0.03 0.00 0.42 -0.75 4.36 4.00 2j5bB1 GLN 23 HB2 -0.03 0.15 0.11 -0.04 2.15 2.33 2j5bB1 GLN 23 HB3 -0.02 -0.03 0.03 -0.04 2.02 1.96 2j5bB1 GLN 23 HG2 -0.02 -0.06 -0.01 -0.04 2.40 2.27 2j5bB1 GLN 23 HG3 -0.03 0.32 0.02 -0.04 2.39 2.66 2j5bB1 GLN 23 HE21 -0.01 -0.01 -0.04 -0.04 6.97 6.87 2j5bB1 GLN 23 HE22 -0.01 -0.02 -0.04 -0.04 7.69 7.57 2j5bB1 LEU 24 H -0.08 0.44 -0.14 -0.55 8.37 8.05 2j5bB1 LEU 24 HA -0.06 0.01 0.40 -0.75 4.35 3.96 2j5bB1 LEU 24 HB2 -0.12 0.03 0.12 -0.04 1.64 1.63 2j5bB1 LEU 24 HB3 -0.21 0.11 0.14 -0.04 1.64 1.63 2j5bB1 LEU 24 HG -0.47 0.06 -0.21 -0.04 1.64 0.98 2j5bB1 LEU 24 HD13 -0.01 -0.02 0.02 -0.04 0.93 0.88 2j5bB1 LEU 24 HD23 -0.36 -0.02 -0.06 -0.04 0.89 0.41 2j5bB1 VAL 25 H -0.11 0.46 -0.20 -0.55 8.24 7.84 2j5bB1 VAL 25 HA -0.06 0.11 0.41 -0.75 4.13 3.84 2j5bB1 VAL 25 HB -0.05 0.05 0.13 -0.04 2.12 2.20 2j5bB1 VAL 25 HG13 -0.01 -0.02 -0.05 -0.04 0.97 0.85 2j5bB1 VAL 25 HG23 -0.13 0.06 -0.01 -0.04 0.95 0.83 2j5bB1 ASP 26 H -0.03 0.52 -0.14 -0.55 8.40 8.20 2j5bB1 ASP 26 HA -0.01 -0.03 0.46 -0.75 4.63 4.31 2j5bB1 ASP 26 HB2 -0.02 0.06 0.18 -0.04 2.71 2.89 2j5bB1 ASP 26 HB3 -0.01 -0.08 0.01 -0.04 2.70 2.57 2j5bB1 SER 27 H -0.01 0.67 -0.10 -0.55 8.46 8.48 2j5bB1 SER 27 HA 0.00 -0.05 0.36 -0.75 4.49 4.04 2j5bB1 SER 27 HB2 0.01 -0.09 0.10 -0.04 3.95 3.93 2j5bB1 SER 27 HB3 -0.00 0.08 0.14 -0.04 3.93 4.11 2j5bB1 GLY 28 H 0.02 0.28 -0.75 -0.55 8.43 7.44 2j5bB1 GLY 28 HA2 0.05 0.08 0.26 -0.51 4.01 3.89 2j5bB1 GLY 28 HA3 0.03 -0.02 0.35 -0.51 4.01 3.85 2j5bB1 ARG 29 H 0.06 0.06 -0.42 -0.55 8.46 7.60 2j5bB1 ARG 29 HA 0.04 0.09 0.74 -0.75 4.34 4.46 2j5bB1 ARG 29 HB2 0.04 -0.07 0.08 -0.04 1.90 1.90 2j5bB1 ARG 29 HB3 0.03 -0.00 -0.03 -0.04 1.80 1.77 2j5bB1 ARG 29 HG2 0.06 -0.06 -0.04 -0.04 1.67 1.59 2j5bB1 ARG 29 HG3 0.10 0.25 -0.49 -0.04 1.67 1.49 2j5bB1 ARG 29 HD2 0.04 -0.05 -0.01 -0.04 3.22 3.15 2j5bB1 ARG 29 HD3 0.03 -0.07 -0.01 -0.04 3.22 3.12 2j5bB1 ILE 30 H 0.03 0.01 0.17 -0.55 8.25 7.90 2j5bB1 ILE 30 HA -0.04 0.31 0.48 -0.75 4.18 4.17 2j5bB1 ILE 30 HB -0.01 -0.09 0.07 -0.04 1.89 1.81 2j5bB1 ILE 30 HG12 -0.01 -0.06 0.16 -0.04 1.49 1.55 2j5bB1 ILE 30 HG13 -0.03 -0.06 0.05 -0.04 1.21 1.14 2j5bB1 ILE 30 HG23 -0.11 0.02 -0.05 -0.04 0.93 0.75 2j5bB1 ILE 30 HD13 -0.04 0.03 0.04 -0.04 0.88 0.86 2j5bB1 PHE 31 H -0.39 0.33 0.35 -0.55 8.34 8.08 2j5bB1 PHE 31 HA -0.01 0.14 0.82 -0.75 4.62 4.81 2j5bB1 PHE 31 HB2 -0.01 -0.11 0.12 -0.04 3.15 3.11 2j5bB1 PHE 31 HB3 -0.01 0.18 -0.12 -0.04 3.06 3.06 2j5bB1 PHE 31 HD2 -0.01 0.12 -0.24 -0.04 7.28 7.11 2j5bB1 PHE 31 HE2 -0.01 0.09 -0.20 -0.04 7.38 7.21 2j5bB1 PHE 31 HZ -0.01 0.01 -0.16 -0.04 7.32 7.11 2j5bB1 THR 32 H 0.19 0.15 0.25 -0.55 8.28 8.32 2j5bB1 THR 32 HA -0.05 0.33 1.24 -0.75 4.39 5.16 2j5bB1 THR 32 HB -0.01 0.06 0.02 -0.04 4.32 4.35 2j5bB1 THR 32 HG23 -0.03 0.01 -0.18 -0.04 1.22 0.98 2j5bB1 ALA 33 H 0.02 0.73 0.50 -0.55 8.40 9.10 2j5bB1 ALA 33 HA 0.11 0.20 0.98 -0.75 4.34 4.88 2j5bB1 ALA 33 HB3 0.10 0.00 0.01 -0.04 1.41 1.49 2j5bB1 TYR 34 H 0.09 0.52 0.46 -0.55 8.29 8.82 2j5bB1 TYR 34 HA -0.06 0.21 0.99 -0.75 4.56 4.95 2j5bB1 TYR 34 HB2 -0.11 0.05 0.16 -0.04 3.06 3.12 2j5bB1 TYR 34 HB3 -0.10 -0.04 -0.22 -0.04 2.98 2.57 2j5bB1 TYR 34 HD2 -0.08 0.07 -0.13 -0.04 7.15 6.97 2j5bB1 TYR 34 HE2 -0.06 -0.03 -0.15 -0.04 6.85 6.57 2j5bB1 ASN 35 H -0.05 0.64 0.49 -0.55 8.53 9.06 2j5bB1 ASN 35 HA -0.55 0.12 0.77 -0.75 4.76 4.34 2j5bB1 ASN 35 HB2 -0.13 0.27 0.14 -0.04 2.88 3.11 2j5bB1 ASN 35 HB3 -0.08 -0.05 0.10 -0.04 2.79 2.72 2j5bB1 ASN 35 HD21 0.18 -0.03 -0.19 -0.04 7.03 6.95 2j5bB1 ASN 35 HD22 0.12 -0.07 -0.24 -0.04 7.74 7.51 2j5bB1 GLY 36 H -0.10 0.22 0.23 -0.55 8.43 8.24 2j5bB1 GLY 36 HA2 0.10 0.27 1.15 -0.51 4.01 5.03 2j5bB1 GLY 36 HA3 0.17 -0.03 0.37 -0.51 4.01 4.01 2j5bB1 PHE 37 H -0.39 0.55 0.40 -0.55 8.34 8.36 2j5bB1 PHE 37 HA 0.03 0.09 0.62 -0.75 4.62 4.60 2j5bB1 PHE 37 HB2 0.13 0.03 -0.00 -0.04 3.15 3.27 2j5bB1 PHE 37 HB3 0.13 0.10 -0.23 -0.04 3.06 3.01 2j5bB1 PHE 37 HD2 -0.02 0.04 -0.51 -0.04 7.28 6.75 2j5bB1 PHE 37 HE2 -0.10 0.01 -0.16 -0.04 7.38 7.09 2j5bB1 PHE 37 HZ 0.03 0.06 -0.08 -0.04 7.32 7.29 2j5bB1 GLU 38 H 0.14 0.21 0.11 -0.55 8.60 8.52 2j5bB1 GLU 38 HA -0.10 0.08 0.73 -0.75 4.29 4.23 2j5bB1 GLU 38 HB2 0.06 0.01 0.11 -0.04 2.09 2.23 2j5bB1 GLU 38 HB3 0.03 0.08 0.02 -0.04 1.99 2.08 2j5bB1 GLU 38 HG2 0.07 -0.00 -0.03 -0.04 2.34 2.33 2j5bB1 GLU 38 HG3 0.04 -0.06 -0.04 -0.04 2.34 2.24 2j5bB1 PRO 39 HA -0.71 0.05 0.29 -0.51 4.44 3.56 2j5bB1 PRO 39 HB2 -0.07 0.02 -0.03 -0.04 2.28 2.16 2j5bB1 PRO 39 HB3 -0.22 0.05 -0.23 -0.04 2.02 1.57 2j5bB1 PRO 39 HG2 -0.08 -0.01 -0.02 -0.04 2.03 1.88 2j5bB1 PRO 39 HG3 -0.20 0.05 -0.02 -0.04 2.03 1.81 2j5bB1 PRO 39 HD2 -0.08 0.06 -0.01 -0.04 3.68 3.61 2j5bB1 PRO 39 HD3 -0.32 0.11 0.03 -0.04 3.65 3.43 2j5bB1 SER 40 H -0.24 0.26 0.12 -0.55 8.46 8.05 2j5bB1 SER 40 HA 0.05 0.12 0.62 -0.75 4.49 4.53 2j5bB1 SER 40 HB2 0.13 -0.08 0.16 -0.04 3.95 4.12 2j5bB1 SER 40 HB3 0.13 0.10 -0.11 -0.04 3.93 4.01 2j5bB1 GLY 41 H 0.08 0.12 0.13 -0.55 8.43 8.21 2j5bB1 GLY 41 HA2 0.09 0.08 0.32 -0.51 4.01 3.99 2j5bB1 GLY 41 HA3 0.03 0.12 0.33 -0.51 4.01 3.98 2j5bB1 ARG 42 H 0.14 0.08 -0.16 -0.55 8.46 7.97 2j5bB1 ARG 42 HA 0.11 0.24 0.82 -0.75 4.34 4.76 2j5bB1 ARG 42 HB2 -0.45 -0.06 -0.14 -0.04 1.90 1.20 2j5bB1 ARG 42 HB3 -0.28 -0.08 -0.04 -0.04 1.80 1.36 2j5bB1 ARG 42 HG2 -0.21 0.15 -0.26 -0.04 1.67 1.31 2j5bB1 ARG 42 HG3 -0.19 -0.10 -0.41 -0.04 1.67 0.93 2j5bB1 ARG 42 HD2 -0.36 0.16 -0.11 -0.04 3.22 2.86 2j5bB1 ARG 42 HD3 -0.96 -0.08 -0.12 -0.04 3.22 2.02 2j5bB1 ILE 43 H 0.09 0.19 0.10 -0.55 8.25 8.08 2j5bB1 ILE 43 HA 0.04 0.18 1.02 -0.75 4.18 4.66 2j5bB1 ILE 43 HB -1.57 0.06 -0.06 -0.04 1.89 0.28 2j5bB1 ILE 43 HG12 -0.26 0.13 -0.26 -0.04 1.49 1.06 2j5bB1 ILE 43 HG13 -0.36 -0.07 0.02 -0.04 1.21 0.75 2j5bB1 ILE 43 HG23 -0.38 -0.00 0.03 -0.04 0.93 0.54 2j5bB1 ILE 43 HD13 -0.77 0.01 -0.10 -0.04 0.88 -0.02 2j5bB1 HIS 44 H 0.35 0.15 0.13 -0.55 8.41 8.49 2j5bB1 HIS 44 HA -0.20 0.23 0.52 -0.75 4.63 4.42 2j5bB1 HIS 44 HB2 -0.05 -0.09 0.15 -0.04 3.26 3.23 2j5bB1 HIS 44 HB3 -0.14 -0.10 0.09 -0.04 3.20 3.00 2j5bB1 HIS 44 HD2 -0.14 0.02 -0.01 -0.04 6.97 6.80 2j5bB1 HIS 44 HE1 0.35 0.05 -0.07 -0.04 7.75 8.03 2j5bB1 ILE 45 H -0.14 0.69 0.30 -0.55 8.25 8.56 2j5bB1 ILE 45 HA -0.11 0.10 0.36 -0.75 4.18 3.78 2j5bB1 ILE 45 HB -0.07 0.05 -0.06 -0.04 1.89 1.77 2j5bB1 ILE 45 HG12 -0.17 -0.01 -0.12 -0.04 1.49 1.14 2j5bB1 ILE 45 HG13 -0.18 0.02 0.02 -0.04 1.21 1.03 2j5bB1 ILE 45 HG23 -0.02 0.02 0.01 -0.04 0.93 0.89 2j5bB1 ILE 45 HD13 -0.07 0.02 -0.04 -0.04 0.88 0.75 2j5bB1 ALA 46 H -0.06 0.07 -0.17 -0.55 8.40 7.69 2j5bB1 ALA 46 HA -0.15 0.13 0.34 -0.75 4.34 3.91 2j5bB1 ALA 46 HB3 -0.12 0.01 0.06 -0.04 1.41 1.32 2j5bB1 GLN 47 H -0.02 0.03 -0.22 -0.55 8.47 7.71 2j5bB1 GLN 47 HA -0.04 0.06 0.34 -0.75 4.36 3.98 2j5bB1 GLN 47 HB2 -0.01 -0.05 0.09 -0.04 2.15 2.14 2j5bB1 GLN 47 HB3 -0.02 0.04 0.08 -0.04 2.02 2.08 2j5bB1 GLN 47 HG2 0.06 0.06 -0.30 -0.04 2.40 2.18 2j5bB1 GLN 47 HG3 0.05 0.00 0.00 -0.04 2.39 2.41 2j5bB1 GLN 47 HE21 0.26 -0.01 -0.07 -0.04 6.97 7.11 2j5bB1 GLN 47 HE22 0.06 0.03 -0.10 -0.04 7.69 7.64 2j5bB1 ALA 48 H -0.06 0.44 -0.22 -0.55 8.40 8.01 2j5bB1 ALA 48 HA 0.25 0.03 0.34 -0.75 4.34 4.20 2j5bB1 ALA 48 HB3 -0.13 0.02 -0.00 -0.04 1.41 1.25 2j5bB1 LEU 49 H -0.12 0.59 -0.05 -0.55 8.37 8.25 2j5bB1 LEU 49 HA -0.01 0.10 0.46 -0.75 4.35 4.15 2j5bB1 LEU 49 HB2 -0.15 0.00 0.10 -0.04 1.64 1.55 2j5bB1 LEU 49 HB3 -0.13 0.04 0.02 -0.04 1.64 1.53 2j5bB1 LEU 49 HG -0.30 0.14 0.09 -0.04 1.64 1.53 2j5bB1 LEU 49 HD13 -0.56 -0.02 -0.05 -0.04 0.93 0.27 2j5bB1 LEU 49 HD23 -0.87 -0.01 -0.08 -0.04 0.89 -0.11 2j5bB1 ILE 50 H -0.09 0.60 -0.03 -0.55 8.25 8.19 2j5bB1 ILE 50 HA -0.07 0.08 0.46 -0.75 4.18 3.90 2j5bB1 ILE 50 HB -0.23 0.06 0.11 -0.04 1.89 1.79 2j5bB1 ILE 50 HG12 -0.11 0.07 0.06 -0.04 1.49 1.47 2j5bB1 ILE 50 HG13 -0.11 -0.01 0.11 -0.04 1.21 1.16 2j5bB1 ILE 50 HG23 -0.69 -0.01 -0.12 -0.04 0.93 0.06 2j5bB1 ILE 50 HD13 -0.16 -0.05 -0.03 -0.04 0.88 0.60 2j5bB1 THR 51 H -0.08 0.48 -0.27 -0.55 8.28 7.86 2j5bB1 THR 51 HA -0.15 0.01 0.37 -0.75 4.39 3.86 2j5bB1 THR 51 HB -0.21 0.15 0.11 -0.04 4.32 4.32 2j5bB1 THR 51 HG23 -0.65 -0.03 -0.14 -0.04 1.22 0.37 2j5bB1 VAL 52 H -0.01 0.41 -0.24 -0.55 8.24 7.85 2j5bB1 VAL 52 HA -0.07 -0.03 0.45 -0.75 4.13 3.73 2j5bB1 VAL 52 HB 0.26 0.09 0.16 -0.04 2.12 2.58 2j5bB1 VAL 52 HG13 0.15 0.03 -0.31 -0.04 0.97 0.81 2j5bB1 VAL 52 HG23 0.15 0.01 0.01 -0.04 0.95 1.08 2j5bB1 MET 53 H 0.09 0.70 -0.01 -0.55 8.47 8.70 2j5bB1 MET 53 HA -0.05 0.06 0.37 -0.75 4.52 4.14 2j5bB1 MET 53 HB2 0.03 0.00 0.12 -0.04 2.15 2.26 2j5bB1 MET 53 HB3 -0.01 -0.01 -0.05 -0.04 2.03 1.92 2j5bB1 MET 53 HG2 -0.03 0.01 -0.01 -0.04 2.63 2.56 2j5bB1 MET 53 HG3 0.36 0.14 0.06 -0.04 2.56 3.08 2j5bB1 MET 53 HE3 0.09 -0.00 -0.08 -0.04 2.10 2.07 2j5bB1 ASN 54 H -0.05 0.60 -0.15 -0.55 8.53 8.38 2j5bB1 ASN 54 HA -0.03 0.04 0.39 -0.75 4.76 4.41 2j5bB1 ASN 54 HB2 -0.07 0.08 0.11 -0.04 2.88 2.95 2j5bB1 ASN 54 HB3 -0.03 -0.06 -0.04 -0.04 2.79 2.62 2j5bB1 ASN 54 HD21 -0.08 -0.03 -0.06 -0.04 7.03 6.81 2j5bB1 ASN 54 HD22 -0.02 -0.05 -0.10 -0.04 7.74 7.53 2j5bB1 THR 55 H -0.08 0.50 -0.25 -0.55 8.28 7.90 2j5bB1 THR 55 HA -0.07 -0.02 0.34 -0.75 4.39 3.88 2j5bB1 THR 55 HB -0.10 0.11 0.20 -0.04 4.32 4.48 2j5bB1 THR 55 HG23 -0.11 -0.03 -0.19 -0.04 1.22 0.85 2j5bB1 ASN 56 H -0.06 0.68 -0.03 -0.55 8.53 8.57 2j5bB1 ASN 56 HA -0.06 -0.06 0.40 -0.75 4.76 4.28 2j5bB1 ASN 56 HB2 -0.08 0.16 0.12 -0.04 2.88 3.03 2j5bB1 ASN 56 HB3 -0.09 -0.04 0.06 -0.04 2.79 2.69 2j5bB1 ASN 56 HD21 -0.05 0.46 0.11 -0.04 7.03 7.50 2j5bB1 ASN 56 HD22 -0.12 -0.01 0.01 -0.04 7.74 7.58 2j5bB1 ASN 57 H -0.04 0.40 -0.56 -0.55 8.53 7.78 2j5bB1 ASN 57 HA -0.03 0.02 0.49 -0.75 4.76 4.48 2j5bB1 ASN 57 HB2 -0.02 0.14 0.15 -0.04 2.88 3.11 2j5bB1 ASN 57 HB3 0.00 -0.07 -0.12 -0.04 2.79 2.56 2j5bB1 ASN 57 HD21 -0.03 -0.03 -0.09 -0.04 7.03 6.84 2j5bB1 ASN 57 HD22 -0.01 -0.03 -0.12 -0.04 7.74 7.54 2j5bB1 MET 58 H -0.01 0.59 -0.03 -0.55 8.47 8.47 2j5bB1 MET 58 HA 0.10 0.01 0.31 -0.75 4.52 4.19 2j5bB1 MET 58 HB2 -0.05 0.05 0.03 -0.04 2.15 2.14 2j5bB1 MET 58 HB3 0.02 -0.08 -0.13 -0.04 2.03 1.81 2j5bB1 MET 58 HG2 -0.01 0.56 0.12 -0.04 2.63 3.27 2j5bB1 MET 58 HG3 0.01 -0.13 -0.09 -0.04 2.56 2.31 2j5bB1 MET 58 HE3 0.04 -0.03 -0.09 -0.04 2.10 1.98 2j5bB1 ILE 59 H -0.07 0.47 -0.17 -0.55 8.25 7.94 2j5bB1 ILE 59 HA -0.14 0.31 0.41 -0.75 4.18 4.00 2j5bB1 ILE 59 HB -0.07 0.06 0.12 -0.04 1.89 1.96 2j5bB1 ILE 59 HG12 -0.11 0.11 0.08 -0.04 1.49 1.54 2j5bB1 ILE 59 HG13 -0.09 0.11 0.02 -0.04 1.21 1.21 2j5bB1 ILE 59 HG23 -0.07 -0.01 -0.08 -0.04 0.93 0.73 2j5bB1 ILE 59 HD13 -0.08 -0.07 -0.10 -0.04 0.88 0.59 2j5bB1 GLU 60 H -0.04 0.46 -0.14 -0.55 8.60 8.32 2j5bB1 GLU 60 HA -0.03 -0.03 0.39 -0.75 4.29 3.86 2j5bB1 GLU 60 HB2 -0.02 0.12 0.14 -0.04 2.09 2.29 2j5bB1 GLU 60 HB3 -0.02 -0.08 0.05 -0.04 1.99 1.90 2j5bB1 GLU 60 HG2 -0.04 -0.10 0.08 -0.04 2.34 2.23 2j5bB1 GLU 60 HG3 -0.05 0.29 0.20 -0.04 2.34 2.74 2j5bB1 CYS 61 H 0.01 0.48 -0.43 -0.55 8.50 8.02 2j5bB1 CYS 61 HA 0.05 0.01 0.58 -0.75 4.58 4.47 2j5bB1 CYS 61 HB2 0.16 0.10 0.12 -0.04 2.97 3.31 2j5bB1 CYS 61 HB3 0.17 -0.07 0.17 -0.04 2.97 3.20 2j5bB1 GLY 62 H -0.05 0.55 -0.53 -0.55 8.43 7.86 2j5bB1 GLY 62 HA2 -0.08 -0.03 0.30 -0.51 4.01 3.69 2j5bB1 GLY 62 HA3 0.00 0.07 0.61 -0.51 4.01 4.18 2j5bB1 GLY 63 H -0.31 0.43 0.05 -0.55 8.43 8.05 2j5bB1 GLY 63 HA2 -1.03 0.11 1.03 -0.51 4.01 3.61 2j5bB1 GLY 63 HA3 -1.29 -0.06 0.16 -0.51 4.01 2.31 2j5bB1 GLN 64 H -0.36 0.55 0.43 -0.55 8.47 8.55 2j5bB1 GLN 64 HA -0.15 0.21 0.96 -0.75 4.36 4.63 2j5bB1 GLN 64 HB2 -0.12 -0.06 0.10 -0.04 2.15 2.04 2j5bB1 GLN 64 HB3 -0.10 0.01 -0.01 -0.04 2.02 1.88 2j5bB1 GLN 64 HG2 -0.15 0.01 -0.21 -0.04 2.40 2.02 2j5bB1 GLN 64 HG3 -0.08 -0.06 -0.06 -0.04 2.39 2.14 2j5bB1 GLN 64 HE21 -0.06 0.07 0.06 -0.04 6.97 7.00 2j5bB1 GLN 64 HE22 -0.06 -0.07 -0.02 -0.04 7.69 7.50 2j5bB1 MET 65 H -0.11 0.84 0.39 -0.55 8.47 9.04 2j5bB1 MET 65 HA -0.06 0.24 1.13 -0.75 4.52 5.08 2j5bB1 MET 65 HB2 -0.09 0.01 -0.01 -0.04 2.15 2.02 2j5bB1 MET 65 HB3 -0.13 0.01 0.11 -0.04 2.03 1.98 2j5bB1 MET 65 HG2 -0.12 -0.05 -0.10 -0.04 2.63 2.32 2j5bB1 MET 65 HG3 -0.11 -0.03 -0.31 -0.04 2.56 2.06 2j5bB1 MET 65 HE3 -0.08 0.00 -0.16 -0.04 2.10 1.83 2j5bB1 ILE 66 H -0.02 0.54 0.45 -0.55 8.25 8.67 2j5bB1 ILE 66 HA -0.10 0.25 1.08 -0.75 4.18 4.65 2j5bB1 ILE 66 HB 0.03 -0.02 0.20 -0.04 1.89 2.05 2j5bB1 ILE 66 HG12 -0.05 0.03 -0.26 -0.04 1.49 1.16 2j5bB1 ILE 66 HG13 -0.09 -0.04 -0.14 -0.04 1.21 0.90 2j5bB1 ILE 66 HG23 -0.07 -0.03 -0.20 -0.04 0.93 0.58 2j5bB1 ILE 66 HD13 -0.07 0.03 -0.06 -0.04 0.88 0.73 2j5bB1 ILE 67 H -0.14 0.75 0.34 -0.55 8.25 8.65 2j5bB1 ILE 67 HA 0.06 0.22 1.01 -0.75 4.18 4.72 2j5bB1 ILE 67 HB 0.02 -0.05 0.13 -0.04 1.89 1.95 2j5bB1 ILE 67 HG12 -0.32 0.01 -0.19 -0.04 1.49 0.94 2j5bB1 ILE 67 HG13 -0.18 0.00 -0.12 -0.04 1.21 0.87 2j5bB1 ILE 67 HG23 0.47 -0.02 -0.16 -0.04 0.93 1.18 2j5bB1 ILE 67 HD13 -0.13 0.03 -0.12 -0.04 0.88 0.61 2j5bB1 TYR 68 H 0.20 0.84 0.41 -0.55 8.29 9.19 2j5bB1 TYR 68 HA -0.12 0.21 0.94 -0.75 4.56 4.83 2j5bB1 TYR 68 HB2 0.04 0.07 -0.02 -0.04 3.06 3.10 2j5bB1 TYR 68 HB3 0.05 -0.10 0.17 -0.04 2.98 3.05 2j5bB1 TYR 68 HD2 -0.10 0.06 -0.06 -0.04 7.15 7.01 2j5bB1 TYR 68 HE2 -0.08 0.01 -0.22 -0.04 6.85 6.52 2j5bB1 ILE 69 H -0.40 0.71 0.38 -0.55 8.25 8.39 2j5bB1 ILE 69 HA -1.20 0.22 0.81 -0.75 4.18 3.26 2j5bB1 ILE 69 HB -1.29 -0.11 0.28 -0.04 1.89 0.73 2j5bB1 ILE 69 HG12 -0.47 0.05 -0.08 -0.04 1.49 0.95 2j5bB1 ILE 69 HG13 -0.41 0.09 -0.05 -0.04 1.21 0.80 2j5bB1 ILE 69 HG23 -1.07 -0.03 -0.00 -0.04 0.93 -0.21 2j5bB1 ILE 69 HD13 -1.11 0.00 -0.08 -0.04 0.88 -0.34 2j5bB1 ALA 70 H -0.62 0.71 0.29 -0.55 8.40 8.23 2j5bB1 ALA 70 HA -0.25 -0.03 0.59 -0.75 4.34 3.90 2j5bB1 ALA 70 HB3 -0.11 0.02 0.04 -0.04 1.41 1.32 2j5bB1 ASP 71 H -0.02 0.46 0.03 -0.55 8.40 8.32 2j5bB1 ASP 71 HA 0.06 0.17 0.39 -0.75 4.63 4.50 2j5bB1 ASP 71 HB2 0.24 0.07 -0.01 -0.04 2.71 2.98 2j5bB1 ASP 71 HB3 0.32 0.10 0.06 -0.04 2.70 3.14 2j5bB1 TRP 72 H 0.37 -0.03 -0.03 -0.55 7.97 7.74 2j5bB1 TRP 72 HA 0.01 0.13 0.38 -0.75 4.62 4.38 2j5bB1 TRP 72 HB2 0.07 -0.13 0.01 -0.04 3.23 3.14 2j5bB1 TRP 72 HB3 -0.05 -0.01 -0.02 -0.04 3.23 3.11 2j5bB1 TRP 72 HD1 0.00 -0.02 0.01 -0.04 7.22 7.17 2j5bB1 TRP 72 HE1 -0.04 0.06 -0.03 -0.04 10.20 10.16 2j5bB1 TRP 72 HE3 -1.55 -0.07 -0.23 -0.04 7.59 5.70 2j5bB1 TRP 72 HZ2 -0.09 0.05 -0.05 -0.04 7.44 7.31 2j5bB1 TRP 72 HZ3 -0.67 0.01 -0.10 -0.04 7.13 6.33 2j5bB1 TRP 72 HH2 -0.15 0.04 -0.06 -0.04 7.19 6.98 2j5bB1 PHE 73 H 0.59 0.04 -0.29 -0.55 8.34 8.12 2j5bB1 PHE 73 HA 0.02 0.09 0.40 -0.75 4.62 4.37 2j5bB1 PHE 73 HB2 0.11 0.08 0.07 -0.04 3.15 3.37 2j5bB1 PHE 73 HB3 0.12 0.04 -0.03 -0.04 3.06 3.16 2j5bB1 PHE 73 HD2 0.27 -0.08 -0.02 -0.04 7.28 7.40 2j5bB1 PHE 73 HE2 0.40 -0.01 -0.11 -0.04 7.38 7.63 2j5bB1 PHE 73 HZ 0.32 0.13 -0.12 -0.04 7.32 7.60 2j5bB1 ALA 74 H 0.14 0.40 -0.18 -0.55 8.40 8.22 2j5bB1 ALA 74 HA 0.04 0.04 0.38 -0.75 4.34 4.05 2j5bB1 ALA 74 HB3 0.02 0.03 0.07 -0.04 1.41 1.49 2j5bB1 LYS 75 H -0.04 0.42 -0.24 -0.55 8.42 8.00 2j5bB1 LYS 75 HA -0.08 0.05 0.33 -0.75 4.32 3.87 2j5bB1 LYS 75 HB2 -0.08 -0.04 0.06 -0.04 1.87 1.77 2j5bB1 LYS 75 HB3 -0.27 0.13 0.16 -0.04 1.79 1.77 2j5bB1 LYS 75 HG2 -0.17 0.01 -0.11 -0.04 1.46 1.15 2j5bB1 LYS 75 HG3 -0.09 0.18 0.03 -0.04 1.46 1.54 2j5bB1 LYS 75 HD2 -0.06 -0.12 0.02 -0.04 1.69 1.49 2j5bB1 LYS 75 HD3 -0.19 -0.01 0.01 -0.04 1.68 1.45 2j5bB1 LYS 75 HE2 -0.05 0.07 0.12 -0.04 2.99 3.09 2j5bB1 LYS 75 HE3 -0.04 -0.06 0.04 -0.04 2.99 2.89 2j5bB1 MET 76 H -0.32 0.41 -0.11 -0.55 8.47 7.91 2j5bB1 MET 76 HA -0.27 0.04 0.39 -0.75 4.52 3.92 2j5bB1 MET 76 HB2 -0.76 -0.02 0.11 -0.04 2.15 1.44 2j5bB1 MET 76 HB3 -0.25 0.08 0.14 -0.04 2.03 1.97 2j5bB1 MET 76 HG2 -0.10 0.02 -0.13 -0.04 2.63 2.38 2j5bB1 MET 76 HG3 -0.25 -0.00 0.06 -0.04 2.56 2.33 2j5bB1 MET 76 HE3 0.22 -0.00 -0.05 -0.04 2.10 2.23 2j5bB1 ASN 77 H -0.06 0.38 -0.46 -0.55 8.53 7.85 2j5bB1 ASN 77 HA -0.04 0.10 0.66 -0.75 4.76 4.73 2j5bB1 ASN 77 HB2 0.00 0.03 0.13 -0.04 2.88 3.00 2j5bB1 ASN 77 HB3 -0.02 -0.05 0.18 -0.04 2.79 2.85 2j5bB1 ASN 77 HD21 0.07 -0.08 -0.04 -0.04 7.03 6.94 2j5bB1 ASN 77 HD22 0.04 -0.05 -0.06 -0.04 7.74 7.64 2j5bB1 LEU 78 H -0.08 0.50 -0.59 -0.55 8.37 7.66 2j5bB1 LEU 78 HA -0.06 0.09 0.27 -0.75 4.35 3.90 2j5bB1 LEU 78 HB2 -0.04 0.14 -0.15 -0.04 1.64 1.56 2j5bB1 LEU 78 HB3 -0.04 -0.11 0.13 -0.04 1.64 1.58 2j5bB1 LEU 78 HG -0.05 0.08 -0.22 -0.04 1.64 1.41 2j5bB1 LEU 78 HD13 -0.03 -0.02 -0.04 -0.04 0.93 0.79 2j5bB1 LEU 78 HD23 -0.06 0.03 -0.02 -0.04 0.89 0.80 2j5bB1 LYS 79 H -0.03 0.47 -0.31 -0.55 8.42 8.00 2j5bB1 LYS 79 HA -0.02 0.05 0.50 -0.75 4.32 4.09 2j5bB1 LYS 79 HB2 -0.01 -0.02 -0.00 -0.04 1.87 1.79 2j5bB1 LYS 79 HB3 -0.01 -0.02 0.02 -0.04 1.79 1.74 2j5bB1 LYS 79 HG2 0.00 -0.01 0.05 -0.04 1.46 1.47 2j5bB1 LYS 79 HG3 -0.00 0.07 0.01 -0.04 1.46 1.50 2j5bB1 LYS 79 HD2 0.02 -0.09 0.01 -0.04 1.69 1.59 2j5bB1 LYS 79 HD3 0.03 0.08 0.03 -0.04 1.68 1.78 2j5bB1 LYS 79 HE2 0.04 -0.02 -0.02 -0.04 2.99 2.96 2j5bB1 LYS 79 HE3 0.03 -0.01 0.02 -0.04 2.99 2.98 2j5bB1 MET 80 H -0.03 0.17 0.19 -0.55 8.47 8.25 2j5bB1 MET 80 HA -0.07 0.10 0.33 -0.75 4.52 4.12 2j5bB1 MET 80 HB2 -0.08 0.16 -0.21 -0.04 2.15 1.98 2j5bB1 MET 80 HB3 -0.15 -0.05 0.18 -0.04 2.03 1.97 2j5bB1 MET 80 HG2 -0.05 -0.05 -0.22 -0.04 2.63 2.28 2j5bB1 MET 80 HG3 -0.12 -0.03 -0.27 -0.04 2.56 2.10 2j5bB1 MET 80 HE3 -0.00 -0.01 0.05 -0.04 2.10 2.10 2j5bB1 ASN 81 H -0.04 0.22 -0.16 -0.55 8.53 8.00 2j5bB1 ASN 81 HA -0.04 0.12 0.28 -0.75 4.76 4.37 2j5bB1 ASN 81 HB2 -0.04 -0.05 -0.18 -0.04 2.88 2.56 2j5bB1 ASN 81 HB3 -0.05 0.05 0.08 -0.04 2.79 2.83 2j5bB1 ASN 81 HD21 -0.03 -0.02 0.05 -0.04 7.03 7.00 2j5bB1 ASN 81 HD22 -0.04 0.03 0.17 -0.04 7.74 7.87 2j5bB1 GLY 82 H -0.05 0.46 -0.89 -0.55 8.43 7.40 2j5bB1 GLY 82 HA2 -0.07 0.01 0.23 -0.51 4.01 3.68 2j5bB1 GLY 82 HA3 -0.06 0.08 0.42 -0.51 4.01 3.94 2j5bB1 ASP 83 H -0.07 0.64 -0.26 -0.55 8.40 8.15 2j5bB1 ASP 83 HA -0.05 0.06 0.57 -0.75 4.63 4.46 2j5bB1 ASP 83 HB2 -0.08 0.18 0.10 -0.04 2.71 2.87 2j5bB1 ASP 83 HB3 -0.12 -0.01 0.21 -0.04 2.70 2.73 2j5bB1 ILE 84 H -0.03 0.28 0.25 -0.55 8.25 8.20 2j5bB1 ILE 84 HA 0.01 0.09 0.37 -0.75 4.18 3.89 2j5bB1 ILE 84 HB 0.00 0.12 0.11 -0.04 1.89 2.09 2j5bB1 ILE 84 HG12 0.06 0.04 -0.03 -0.04 1.49 1.52 2j5bB1 ILE 84 HG13 0.05 -0.06 -0.05 -0.04 1.21 1.11 2j5bB1 ILE 84 HG23 0.01 0.02 -0.01 -0.04 0.93 0.91 2j5bB1 ILE 84 HD13 0.10 -0.01 -0.06 -0.04 0.88 0.87 2j5bB1 ASN 85 H -0.02 0.14 -0.12 -0.55 8.53 7.99 2j5bB1 ASN 85 HA 0.01 0.11 0.50 -0.75 4.76 4.63 2j5bB1 ASN 85 HB2 -0.01 0.01 0.05 -0.04 2.88 2.89 2j5bB1 ASN 85 HB3 0.02 0.07 -0.01 -0.04 2.79 2.83 2j5bB1 ASN 85 HD21 -0.00 0.04 0.00 -0.04 7.03 7.02 2j5bB1 ASN 85 HD22 0.00 0.04 0.00 -0.04 7.74 7.75 2j5bB1 LYS 86 H -0.08 0.14 -0.29 -0.55 8.42 7.63 2j5bB1 LYS 86 HA -0.09 0.13 0.49 -0.75 4.32 4.09 2j5bB1 LYS 86 HB2 -0.26 0.13 0.09 -0.04 1.87 1.79 2j5bB1 LYS 86 HB3 -0.73 0.05 -0.02 -0.04 1.79 1.05 2j5bB1 LYS 86 HG2 -0.48 0.03 -0.03 -0.04 1.46 0.94 2j5bB1 LYS 86 HG3 -0.20 -0.10 0.00 -0.04 1.46 1.12 2j5bB1 LYS 86 HD2 -0.30 0.06 0.03 -0.04 1.69 1.44 2j5bB1 LYS 86 HD3 -0.88 0.04 -0.00 -0.04 1.68 0.80 2j5bB1 LYS 86 HE2 -0.07 0.01 -0.03 -0.04 2.99 2.86 2j5bB1 LYS 86 HE3 -0.10 -0.04 -0.01 -0.04 2.99 2.79 2j5bB1 ILE 87 H -0.03 0.43 -0.17 -0.55 8.25 7.92 2j5bB1 ILE 87 HA 0.01 0.08 0.26 -0.75 4.18 3.77 2j5bB1 ILE 87 HB 0.04 0.02 0.10 -0.04 1.89 2.01 2j5bB1 ILE 87 HG12 -0.02 -0.03 -0.20 -0.04 1.49 1.20 2j5bB1 ILE 87 HG13 -0.04 0.37 -0.06 -0.04 1.21 1.44 2j5bB1 ILE 87 HG23 0.07 0.01 -0.11 -0.04 0.93 0.86 2j5bB1 ILE 87 HD13 -0.02 0.01 -0.31 -0.04 0.88 0.52 2j5bB1 ARG 88 H 0.09 0.52 -0.27 -0.55 8.46 8.25 2j5bB1 ARG 88 HA 0.48 -0.04 0.45 -0.75 4.34 4.48 2j5bB1 ARG 88 HB2 0.04 0.13 0.15 -0.04 1.90 2.18 2j5bB1 ARG 88 HB3 -0.05 0.00 -0.02 -0.04 1.80 1.69 2j5bB1 ARG 88 HG2 0.02 -0.09 0.05 -0.04 1.67 1.61 2j5bB1 ARG 88 HG3 0.17 -0.02 0.05 -0.04 1.67 1.83 2j5bB1 ARG 88 HD2 0.02 -0.00 -0.05 -0.04 3.22 3.14 2j5bB1 ARG 88 HD3 -0.09 0.04 -0.02 -0.04 3.22 3.12 2j5bB1 GLU 89 H 0.14 0.42 -0.28 -0.55 8.60 8.33 2j5bB1 GLU 89 HA 0.18 0.02 0.45 -0.75 4.29 4.18 2j5bB1 GLU 89 HB2 0.28 0.12 0.17 -0.04 2.09 2.61 2j5bB1 GLU 89 HB3 0.23 0.02 -0.05 -0.04 1.99 2.15 2j5bB1 GLU 89 HG2 0.12 0.04 0.07 -0.04 2.34 2.53 2j5bB1 GLU 89 HG3 0.19 0.00 0.01 -0.04 2.34 2.50 2j5bB1 LEU 90 H 0.19 0.54 -0.27 -0.55 8.37 8.29 2j5bB1 LEU 90 HA 0.29 0.07 0.37 -0.75 4.35 4.33 2j5bB1 LEU 90 HB2 0.09 0.11 0.05 -0.04 1.64 1.85 2j5bB1 LEU 90 HB3 0.08 -0.06 -0.10 -0.04 1.64 1.52 2j5bB1 LEU 90 HG 0.25 0.04 -0.04 -0.04 1.64 1.85 2j5bB1 LEU 90 HD13 0.05 -0.05 -0.38 -0.04 0.93 0.51 2j5bB1 LEU 90 HD23 0.18 0.09 -0.01 -0.04 0.89 1.10 2j5bB1 GLY 91 H 0.23 0.40 -0.27 -0.55 8.43 8.25 2j5bB1 GLY 91 HA2 0.01 -0.02 0.42 -0.51 4.01 3.90 2j5bB1 GLY 91 HA3 0.11 -0.00 0.30 -0.51 4.01 3.91 2j5bB1 ARG 92 H 0.41 0.52 -0.20 -0.55 8.46 8.64 2j5bB1 ARG 92 HA 0.30 -0.01 0.45 -0.75 4.34 4.33 2j5bB1 ARG 92 HB2 0.25 0.18 0.18 -0.04 1.90 2.47 2j5bB1 ARG 92 HB3 0.21 -0.04 0.03 -0.04 1.80 1.96 2j5bB1 ARG 92 HG2 0.32 -0.05 0.03 -0.04 1.67 1.92 2j5bB1 ARG 92 HG3 0.32 0.14 0.07 -0.04 1.67 2.16 2j5bB1 ARG 92 HD2 0.11 0.00 0.01 -0.04 3.22 3.30 2j5bB1 ARG 92 HD3 0.02 -0.03 -0.01 -0.04 3.22 3.16 2j5bB1 TYR 93 H 0.38 0.51 -0.18 -0.55 8.29 8.45 2j5bB1 TYR 93 HA 0.28 0.02 0.41 -0.75 4.56 4.51 2j5bB1 TYR 93 HB2 0.14 0.02 0.05 -0.04 3.06 3.23 2j5bB1 TYR 93 HB3 0.23 0.12 0.19 -0.04 2.98 3.48 2j5bB1 TYR 93 HD2 0.09 0.02 -0.05 -0.04 7.15 7.16 2j5bB1 TYR 93 HE2 -0.45 -0.05 -0.05 -0.04 6.85 6.25 2j5bB1 PHE 94 H 0.46 0.59 -0.15 -0.55 8.34 8.68 2j5bB1 PHE 94 HA -0.61 -0.01 0.34 -0.75 4.62 3.59 2j5bB1 PHE 94 HB2 -0.02 0.15 0.16 -0.04 3.15 3.40 2j5bB1 PHE 94 HB3 -0.70 -0.05 -0.09 -0.04 3.06 2.18 2j5bB1 PHE 94 HD2 -0.51 0.06 -0.05 -0.04 7.28 6.74 2j5bB1 PHE 94 HE2 0.05 0.13 -0.14 -0.04 7.38 7.37 2j5bB1 PHE 94 HZ 0.10 0.08 -0.14 -0.04 7.32 7.32 2j5bB1 ILE 95 H 0.06 0.51 -0.19 -0.55 8.25 8.08 2j5bB1 ILE 95 HA 0.05 -0.02 0.35 -0.75 4.18 3.81 2j5bB1 ILE 95 HB -0.01 0.14 0.16 -0.04 1.89 2.14 2j5bB1 ILE 95 HG12 -0.48 -0.05 -0.01 -0.04 1.49 0.91 2j5bB1 ILE 95 HG13 -0.01 0.20 0.07 -0.04 1.21 1.44 2j5bB1 ILE 95 HG23 -0.39 -0.01 -0.13 -0.04 0.93 0.35 2j5bB1 ILE 95 HD13 -0.15 -0.03 -0.05 -0.04 0.88 0.60 2j5bB1 GLU 96 H 0.02 0.61 -0.17 -0.55 8.60 8.52 2j5bB1 GLU 96 HA -0.02 -0.00 0.47 -0.75 4.29 3.99 2j5bB1 GLU 96 HB2 0.25 0.14 0.14 -0.04 2.09 2.57 2j5bB1 GLU 96 HB3 -0.07 -0.03 0.04 -0.04 1.99 1.88 2j5bB1 GLU 96 HG2 0.12 0.20 0.08 -0.04 2.34 2.69 2j5bB1 GLU 96 HG3 0.15 -0.05 -0.01 -0.04 2.34 2.39 2j5bB1 VAL 97 H -0.27 0.48 -0.26 -0.55 8.24 7.64 2j5bB1 VAL 97 HA -0.12 0.04 0.45 -0.75 4.13 3.75 2j5bB1 VAL 97 HB -0.68 0.14 0.16 -0.04 2.12 1.69 2j5bB1 VAL 97 HG13 -0.28 -0.03 -0.12 -0.04 0.97 0.50 2j5bB1 VAL 97 HG23 -0.60 0.05 -0.01 -0.04 0.95 0.34 2j5bB1 PHE 98 H -0.36 0.51 -0.10 -0.55 8.34 7.83 2j5bB1 PHE 98 HA -0.03 0.04 0.35 -0.75 4.62 4.22 2j5bB1 PHE 98 HB2 0.09 0.14 0.09 -0.04 3.15 3.43 2j5bB1 PHE 98 HB3 0.10 -0.06 -0.05 -0.04 3.06 3.00 2j5bB1 PHE 98 HD2 0.07 0.01 -0.06 -0.04 7.28 7.26 2j5bB1 PHE 98 HE2 -0.07 -0.05 -0.15 -0.04 7.38 7.07 2j5bB1 PHE 98 HZ -0.43 -0.07 -0.15 -0.04 7.32 6.63 2j5bB1 LYS 99 H 0.03 0.46 -0.25 -0.55 8.42 8.10 2j5bB1 LYS 99 HA 0.08 0.03 0.47 -0.75 4.32 4.15 2j5bB1 LYS 99 HB2 -0.14 0.12 0.20 -0.04 1.87 2.02 2j5bB1 LYS 99 HB3 -0.01 -0.03 0.02 -0.04 1.79 1.74 2j5bB1 LYS 99 HG2 0.14 -0.04 0.01 -0.04 1.46 1.53 2j5bB1 LYS 99 HG3 0.10 0.23 0.05 -0.04 1.46 1.80 2j5bB1 LYS 99 HD2 0.06 -0.02 -0.04 -0.04 1.69 1.66 2j5bB1 LYS 99 HD3 0.09 -0.01 -0.00 -0.04 1.68 1.71 2j5bB1 LYS 99 HE2 0.15 -0.01 -0.03 -0.04 2.99 3.07 2j5bB1 LYS 99 HE3 0.03 -0.02 -0.09 -0.04 2.99 2.87 2j5bB1 ALA 100 H -0.40 0.62 -0.04 -0.55 8.40 8.04 2j5bB1 ALA 100 HA -0.24 0.00 0.38 -0.75 4.34 3.72 2j5bB1 ALA 100 HB3 -0.39 0.03 0.03 -0.04 1.41 1.04 2j5bB1 CYS 101 H 0.01 0.31 -0.56 -0.55 8.50 7.71 2j5bB1 CYS 101 HA 0.16 0.09 0.59 -0.75 4.58 4.67 2j5bB1 CYS 101 HB2 0.15 0.06 0.04 -0.04 2.97 3.18 2j5bB1 CYS 101 HB3 0.29 -0.06 0.08 -0.04 2.97 3.24 2j5bB1 GLY 102 H 0.06 0.56 -0.37 -0.55 8.43 8.14 2j5bB1 GLY 102 HA2 0.04 0.01 0.28 -0.51 4.01 3.83 2j5bB1 GLY 102 HA3 0.05 0.08 0.59 -0.51 4.01 4.22 2j5bB1 ILE 103 H 0.10 0.48 0.09 -0.55 8.25 8.38 2j5bB1 ILE 103 HA 0.02 0.04 0.40 -0.75 4.18 3.88 2j5bB1 ILE 103 HB 0.11 0.07 -0.01 -0.04 1.89 2.01 2j5bB1 ILE 103 HG12 -0.02 0.00 -0.27 -0.04 1.49 1.16 2j5bB1 ILE 103 HG13 -0.05 0.02 0.02 -0.04 1.21 1.15 2j5bB1 ILE 103 HG23 0.20 -0.02 -0.31 -0.04 0.93 0.76 2j5bB1 ILE 103 HD13 -0.13 -0.02 -0.15 -0.04 0.88 0.54 2j5bB1 ASN 104 H -0.03 0.13 0.11 -0.55 8.53 8.20 2j5bB1 ASN 104 HA -0.00 0.12 0.63 -0.75 4.76 4.75 2j5bB1 ASN 104 HB2 -0.04 0.13 0.15 -0.04 2.88 3.08 2j5bB1 ASN 104 HB3 -0.05 -0.01 0.17 -0.04 2.79 2.86 2j5bB1 ASN 104 HD21 -0.04 0.01 -0.01 -0.04 7.03 6.96 2j5bB1 ASN 104 HD22 -0.05 0.09 0.04 -0.04 7.74 7.78 2j5bB1 LEU 105 H 0.03 0.32 0.17 -0.55 8.37 8.35 2j5bB1 LEU 105 HA 0.01 0.08 0.34 -0.75 4.35 4.02 2j5bB1 LEU 105 HB2 0.06 -0.01 0.08 -0.04 1.64 1.72 2j5bB1 LEU 105 HB3 0.09 0.02 0.07 -0.04 1.64 1.79 2j5bB1 LEU 105 HG 0.10 0.18 0.04 -0.04 1.64 1.92 2j5bB1 LEU 105 HD13 0.12 -0.01 0.01 -0.04 0.93 1.01 2j5bB1 LEU 105 HD23 0.27 -0.02 -0.09 -0.04 0.89 1.01 2j5bB1 ASP 106 H -0.00 0.05 -0.25 -0.55 8.40 7.65 2j5bB1 ASP 106 HA -0.00 0.08 0.43 -0.75 4.63 4.38 2j5bB1 ASP 106 HB2 -0.02 -0.02 0.05 -0.04 2.71 2.67 2j5bB1 ASP 106 HB3 -0.02 0.05 -0.01 -0.04 2.70 2.68 2j5bB1 GLY 107 H -0.05 0.20 -0.26 -0.55 8.43 7.78 2j5bB1 GLY 107 HA2 -0.07 0.22 0.90 -0.51 4.01 4.56 2j5bB1 GLY 107 HA3 -0.08 0.02 0.37 -0.51 4.01 3.81 2j5bB1 THR 108 H -0.08 0.37 -0.35 -0.55 8.28 7.68 2j5bB1 THR 108 HA -0.17 0.29 1.12 -0.75 4.39 4.87 2j5bB1 THR 108 HB -0.18 -0.05 -0.06 -0.04 4.32 3.98 2j5bB1 THR 108 HG23 -0.51 -0.04 -0.24 -0.04 1.22 0.39 2j5bB1 ARG 109 H -0.23 0.55 0.33 -0.55 8.46 8.56 2j5bB1 ARG 109 HA -0.10 0.16 0.94 -0.75 4.34 4.59 2j5bB1 ARG 109 HB2 -0.05 0.07 -0.10 -0.04 1.90 1.78 2j5bB1 ARG 109 HB3 -0.07 0.01 0.10 -0.04 1.80 1.79 2j5bB1 ARG 109 HG2 0.02 -0.07 -0.26 -0.04 1.67 1.32 2j5bB1 ARG 109 HG3 0.06 -0.02 0.03 -0.04 1.67 1.70 2j5bB1 ARG 109 HD2 0.05 -0.02 -0.03 -0.04 3.22 3.17 2j5bB1 ARG 109 HD3 0.01 0.04 -0.03 -0.04 3.22 3.20 2j5bB1 PHE 110 H 0.17 0.20 0.17 -0.55 8.34 8.33 2j5bB1 PHE 110 HA 0.04 0.27 1.06 -0.75 4.62 5.24 2j5bB1 PHE 110 HB2 0.18 -0.01 0.14 -0.04 3.15 3.43 2j5bB1 PHE 110 HB3 0.02 -0.04 0.01 -0.04 3.06 3.01 2j5bB1 PHE 110 HD2 0.12 0.02 -0.01 -0.04 7.28 7.37 2j5bB1 PHE 110 HE2 0.18 0.02 -0.09 -0.04 7.38 7.45 2j5bB1 PHE 110 HZ 0.16 0.03 -0.12 -0.04 7.32 7.36 2j5bB1 ILE 111 H 0.11 0.61 0.35 -0.55 8.25 8.78 2j5bB1 ILE 111 HA 0.26 0.19 0.99 -0.75 4.18 4.86 2j5bB1 ILE 111 HB 0.08 -0.05 0.05 -0.04 1.89 1.94 2j5bB1 ILE 111 HG12 0.07 0.05 -0.09 -0.04 1.49 1.48 2j5bB1 ILE 111 HG13 0.03 -0.03 -0.40 -0.04 1.21 0.76 2j5bB1 ILE 111 HG23 0.00 -0.01 -0.18 -0.04 0.93 0.70 2j5bB1 ILE 111 HD13 -0.21 0.01 -0.06 -0.04 0.88 0.58 2j5bB1 TRP 112 H 0.51 0.23 0.17 -0.55 7.97 8.34 2j5bB1 TRP 112 HA -0.01 0.22 1.03 -0.75 4.62 5.12 2j5bB1 TRP 112 HB2 0.09 0.02 0.18 -0.04 3.23 3.48 2j5bB1 TRP 112 HB3 0.06 -0.13 0.11 -0.04 3.23 3.23 2j5bB1 TRP 112 HD1 0.11 0.07 -0.07 -0.04 7.22 7.30 2j5bB1 TRP 112 HE1 0.07 0.08 -0.07 -0.04 10.20 10.24 2j5bB1 TRP 112 HE3 0.02 -0.15 0.09 -0.04 7.59 7.51 2j5bB1 TRP 112 HZ2 0.02 0.06 -0.10 -0.04 7.44 7.38 2j5bB1 TRP 112 HZ3 0.02 -0.04 0.07 -0.04 7.13 7.13 2j5bB1 TRP 112 HH2 0.05 0.11 0.01 -0.04 7.19 7.33 2j5bB1 ALA 113 H -0.05 0.61 0.37 -0.55 8.40 8.78 2j5bB1 ALA 113 HA 0.39 0.16 0.35 -0.75 4.34 4.49 2j5bB1 ALA 113 HB3 0.17 -0.06 0.15 -0.04 1.41 1.62 2j5bB1 SER 114 H 0.31 0.02 0.03 -0.55 8.46 8.28 2j5bB1 SER 114 HA 0.08 0.10 0.37 -0.75 4.49 4.29 2j5bB1 SER 114 HB2 0.22 0.12 0.04 -0.04 3.95 4.29 2j5bB1 SER 114 HB3 0.33 -0.08 0.10 -0.04 3.93 4.24 2j5bB1 GLU 115 H 0.24 0.04 -0.33 -0.55 8.60 8.01 2j5bB1 GLU 115 HA 0.07 0.13 0.54 -0.75 4.29 4.28 2j5bB1 GLU 115 HB2 0.23 0.03 0.10 -0.04 2.09 2.40 2j5bB1 GLU 115 HB3 0.10 0.08 0.03 -0.04 1.99 2.16 2j5bB1 GLU 115 HG2 0.02 0.06 -0.01 -0.04 2.34 2.37 2j5bB1 GLU 115 HG3 0.08 -0.16 0.00 -0.04 2.34 2.22 2j5bB1 PHE 116 H 0.33 0.48 -0.01 -0.55 8.34 8.58 2j5bB1 PHE 116 HA 0.02 0.10 0.44 -0.75 4.62 4.42 2j5bB1 PHE 116 HB2 0.12 -0.00 0.02 -0.04 3.15 3.24 2j5bB1 PHE 116 HB3 0.09 -0.03 0.09 -0.04 3.06 3.17 2j5bB1 PHE 116 HD2 -0.32 -0.03 -0.11 -0.04 7.28 6.78 2j5bB1 PHE 116 HE2 -0.66 0.03 -0.12 -0.04 7.38 6.59 2j5bB1 PHE 116 HZ -0.24 0.37 -0.27 -0.04 7.32 7.13 2j5bB1 ILE 117 H 0.10 0.64 -0.05 -0.55 8.25 8.39 2j5bB1 ILE 117 HA -0.01 0.05 0.36 -0.75 4.18 3.83 2j5bB1 ILE 117 HB -0.32 0.06 0.07 -0.04 1.89 1.66 2j5bB1 ILE 117 HG12 0.04 0.00 -0.04 -0.04 1.49 1.45 2j5bB1 ILE 117 HG13 0.14 0.04 0.02 -0.04 1.21 1.37 2j5bB1 ILE 117 HG23 -0.42 -0.00 -0.18 -0.04 0.93 0.29 2j5bB1 ILE 117 HD13 -1.58 -0.04 -0.11 -0.04 0.88 -0.90 2j5bB1 ALA 118 H -0.05 0.27 -0.34 -0.55 8.40 7.73 2j5bB1 ALA 118 HA -0.06 0.05 0.41 -0.75 4.34 3.98 2j5bB1 ALA 118 HB3 -0.01 0.01 0.10 -0.04 1.41 1.47 2j5bB1 SER 119 H -0.13 0.24 -0.51 -0.55 8.46 7.51 2j5bB1 SER 119 HA -0.07 0.17 0.91 -0.75 4.49 4.75 2j5bB1 SER 119 HB2 -0.12 0.05 0.09 -0.04 3.95 3.94 2j5bB1 SER 119 HB3 -0.07 -0.05 0.11 -0.04 3.93 3.88 2j5bB1 ASN 120 H -0.27 0.31 -0.19 -0.55 8.53 7.83 2j5bB1 ASN 120 HA -0.16 0.23 0.99 -0.75 4.76 5.07 2j5bB1 ASN 120 HB2 -0.82 -0.02 0.15 -0.04 2.88 2.15 2j5bB1 ASN 120 HB3 -0.29 -0.07 0.07 -0.04 2.79 2.45 2j5bB1 ASN 120 HD21 -0.37 -0.03 -0.07 -0.04 7.03 6.51 2j5bB1 ASN 120 HD22 -1.44 0.28 0.07 -0.04 7.74 6.61 2j5bB1 PRO 121 HA -0.06 0.07 0.43 -0.51 4.44 4.36 2j5bB1 PRO 121 HB2 -0.04 0.02 -0.02 -0.04 2.28 2.20 2j5bB1 PRO 121 HB3 -0.04 0.06 0.08 -0.04 2.02 2.08 2j5bB1 PRO 121 HG2 -0.04 -0.01 0.07 -0.04 2.03 2.01 2j5bB1 PRO 121 HG3 -0.04 0.08 0.04 -0.04 2.03 2.07 2j5bB1 PRO 121 HD2 -0.08 0.26 0.07 -0.04 3.68 3.89 2j5bB1 PRO 121 HD3 -0.07 0.20 -0.12 -0.04 3.65 3.61 2j5bB1 SER 122 H -0.04 0.19 -0.29 -0.55 8.46 7.77 2j5bB1 SER 122 HA -0.00 0.04 0.37 -0.75 4.49 4.14 2j5bB1 SER 122 HB2 0.03 0.06 0.00 -0.04 3.95 4.00 2j5bB1 SER 122 HB3 -0.00 0.03 0.06 -0.04 3.93 3.97 2j5bB1 TYR 123 H 0.05 0.47 -0.33 -0.55 8.29 7.94 2j5bB1 TYR 123 HA 0.04 0.07 0.33 -0.75 4.56 4.24 2j5bB1 TYR 123 HB2 -0.05 0.04 0.03 -0.04 3.06 3.04 2j5bB1 TYR 123 HB3 -0.14 0.18 0.12 -0.04 2.98 3.10 2j5bB1 TYR 123 HD2 0.05 0.04 -0.10 -0.04 7.15 7.09 2j5bB1 TYR 123 HE2 0.13 -0.07 -0.20 -0.04 6.85 6.67 2j5bB1 ILE 124 H -0.05 0.30 -0.12 -0.55 8.25 7.83 2j5bB1 ILE 124 HA -0.29 0.02 0.43 -0.75 4.18 3.58 2j5bB1 ILE 124 HB -0.09 0.14 0.11 -0.04 1.89 2.01 2j5bB1 ILE 124 HG12 -0.15 0.06 0.05 -0.04 1.49 1.41 2j5bB1 ILE 124 HG13 -0.14 0.02 0.01 -0.04 1.21 1.06 2j5bB1 ILE 124 HG23 -0.09 -0.01 -0.07 -0.04 0.93 0.71 2j5bB1 ILE 124 HD13 -0.38 -0.02 -0.06 -0.04 0.88 0.38 2j5bB1 GLU 125 H -0.04 0.42 -0.22 -0.55 8.60 8.22 2j5bB1 GLU 125 HA -0.04 0.00 0.42 -0.75 4.29 3.92 2j5bB1 GLU 125 HB2 -0.01 0.13 0.14 -0.04 2.09 2.32 2j5bB1 GLU 125 HB3 -0.01 -0.02 0.01 -0.04 1.99 1.93 2j5bB1 GLU 125 HG2 -0.03 -0.04 -0.01 -0.04 2.34 2.22 2j5bB1 GLU 125 HG3 -0.03 0.27 -0.04 -0.04 2.34 2.50 2j5bB1 ARG 126 H -0.00 0.72 -0.13 -0.55 8.46 8.50 2j5bB1 ARG 126 HA -0.01 0.01 0.36 -0.75 4.34 3.94 2j5bB1 ARG 126 HB2 0.07 0.07 0.08 -0.04 1.90 2.07 2j5bB1 ARG 126 HB3 0.06 0.15 0.13 -0.04 1.80 2.10 2j5bB1 ARG 126 HG2 0.16 0.04 -0.02 -0.04 1.67 1.81 2j5bB1 ARG 126 HG3 -0.05 -0.08 -0.18 -0.04 1.67 1.33 2j5bB1 ARG 126 HD2 -0.22 0.01 -0.04 -0.04 3.22 2.92 2j5bB1 ARG 126 HD3 -0.03 -0.07 0.04 -0.04 3.22 3.12 2j5bB1 MET 127 H -0.10 0.37 -0.34 -0.55 8.47 7.85 2j5bB1 MET 127 HA -0.07 0.07 0.31 -0.75 4.52 4.07 2j5bB1 MET 127 HB2 -0.13 0.25 0.18 -0.04 2.15 2.41 2j5bB1 MET 127 HB3 -0.07 -0.09 -0.09 -0.04 2.03 1.74 2j5bB1 MET 127 HG2 -0.07 0.00 0.07 -0.04 2.63 2.59 2j5bB1 MET 127 HG3 -0.32 0.18 0.07 -0.04 2.56 2.44 2j5bB1 MET 127 HE3 -0.73 0.01 -0.11 -0.04 2.10 1.22 2j5bB1 LEU 128 H -0.07 0.49 -0.12 -0.55 8.37 8.12 2j5bB1 LEU 128 HA -0.06 -0.03 0.39 -0.75 4.35 3.90 2j5bB1 LEU 128 HB2 -0.03 0.17 0.18 -0.04 1.64 1.91 2j5bB1 LEU 128 HB3 -0.03 -0.04 0.02 -0.04 1.64 1.54 2j5bB1 LEU 128 HG -0.07 0.14 0.09 -0.04 1.64 1.75 2j5bB1 LEU 128 HD13 -0.04 -0.02 -0.02 -0.04 0.93 0.81 2j5bB1 LEU 128 HD23 -0.09 -0.02 -0.01 -0.04 0.89 0.74 2j5bB1 ASP 129 H -0.02 0.60 -0.13 -0.55 8.40 8.30 2j5bB1 ASP 129 HA 0.06 0.00 0.41 -0.75 4.63 4.34 2j5bB1 ASP 129 HB2 0.04 0.02 0.08 -0.04 2.71 2.81 2j5bB1 ASP 129 HB3 0.06 0.10 0.09 -0.04 2.70 2.91 2j5bB1 ILE 130 H -0.12 0.63 -0.14 -0.55 8.25 8.07 2j5bB1 ILE 130 HA -0.13 0.05 0.48 -0.75 4.18 3.82 2j5bB1 ILE 130 HB -0.15 0.12 0.13 -0.04 1.89 1.95 2j5bB1 ILE 130 HG12 -2.02 -0.03 -0.05 -0.04 1.49 -0.65 2j5bB1 ILE 130 HG13 -0.63 0.24 0.02 -0.04 1.21 0.81 2j5bB1 ILE 130 HG23 -0.05 -0.04 -0.12 -0.04 0.93 0.68 2j5bB1 ILE 130 HD13 -0.20 -0.02 -0.22 -0.04 0.88 0.41 2j5bB1 ALA 131 H -0.00 0.66 -0.09 -0.55 8.40 8.42 2j5bB1 ALA 131 HA 0.08 -0.04 0.45 -0.75 4.34 4.07 2j5bB1 ALA 131 HB3 0.02 0.02 0.11 -0.04 1.41 1.52 2j5bB1 GLU 132 H 0.06 0.45 -0.32 -0.55 8.60 8.25 2j5bB1 GLU 132 HA 0.05 -0.00 0.47 -0.75 4.29 4.05 2j5bB1 GLU 132 HB2 0.04 0.02 0.10 -0.04 2.09 2.21 2j5bB1 GLU 132 HB3 0.10 0.16 0.16 -0.04 1.99 2.37 2j5bB1 GLU 132 HG2 0.07 -0.01 -0.19 -0.04 2.34 2.18 2j5bB1 GLU 132 HG3 0.04 -0.05 0.03 -0.04 2.34 2.32 2j5bB1 PHE 133 H 0.27 0.53 -0.07 -0.55 8.34 8.52 2j5bB1 PHE 133 HA 0.06 0.02 0.38 -0.75 4.62 4.32 2j5bB1 PHE 133 HB2 0.21 0.04 0.12 -0.04 3.15 3.47 2j5bB1 PHE 133 HB3 0.19 0.09 0.22 -0.04 3.06 3.53 2j5bB1 PHE 133 HD2 0.10 0.01 -0.03 -0.04 7.28 7.32 2j5bB1 PHE 133 HE2 0.06 -0.02 -0.07 -0.04 7.38 7.31 2j5bB1 PHE 133 HZ 0.05 -0.02 -0.16 -0.04 7.32 7.15 2j5bB1 SER 134 H 0.12 0.63 -0.15 -0.55 8.46 8.52 2j5bB1 SER 134 HA -0.31 -0.01 0.39 -0.75 4.49 3.80 2j5bB1 SER 134 HB2 0.07 -0.03 0.09 -0.04 3.95 4.04 2j5bB1 SER 134 HB3 0.04 0.10 0.18 -0.04 3.93 4.21 2j5bB1 THR 135 H 0.01 0.58 -0.07 -0.55 8.28 8.25 2j5bB1 THR 135 HA -0.01 -0.02 0.40 -0.75 4.39 4.00 2j5bB1 THR 135 HB 0.02 0.05 0.20 -0.04 4.32 4.56 2j5bB1 THR 135 HG23 0.02 -0.03 -0.07 -0.04 1.22 1.10 2j5bB1 ILE 136 H -0.03 0.65 -0.02 -0.55 8.25 8.30 2j5bB1 ILE 136 HA -0.02 -0.03 0.40 -0.75 4.18 3.77 2j5bB1 ILE 136 HB -0.02 0.10 0.10 -0.04 1.89 2.03 2j5bB1 ILE 136 HG12 0.01 -0.07 0.05 -0.04 1.49 1.43 2j5bB1 ILE 136 HG13 0.01 0.08 0.10 -0.04 1.21 1.37 2j5bB1 ILE 136 HG23 -0.01 -0.01 -0.06 -0.04 0.93 0.81 2j5bB1 ILE 136 HD13 0.04 -0.02 -0.03 -0.04 0.88 0.82 2j5bB1 SER 137 H -0.23 0.45 -0.33 -0.55 8.46 7.80 2j5bB1 SER 137 HA -0.15 -0.00 0.41 -0.75 4.49 4.00 2j5bB1 SER 137 HB2 -0.34 0.12 0.24 -0.04 3.95 3.93 2j5bB1 SER 137 HB3 -0.25 -0.12 0.00 -0.04 3.93 3.52 2j5bB1 ARG 138 H -0.11 0.52 0.04 -0.55 8.46 8.36 2j5bB1 ARG 138 HA -0.05 -0.04 0.30 -0.75 4.34 3.80 2j5bB1 ARG 138 HB2 -0.03 -0.10 0.02 -0.04 1.90 1.76 2j5bB1 ARG 138 HB3 -0.04 -0.06 0.04 -0.04 1.80 1.70 2j5bB1 ARG 138 HG2 -0.04 0.09 0.13 -0.04 1.67 1.80 2j5bB1 ARG 138 HG3 -0.03 0.20 0.02 -0.04 1.67 1.83 2j5bB1 ARG 138 HD2 -0.01 -0.06 0.78 -0.04 3.22 3.89 2j5bB1 ARG 138 HD3 -0.01 -0.07 -1.04 -0.04 3.22 2.06 2j5bB1 VAL 139 H -0.04 0.30 -0.74 -0.55 8.24 7.21 2j5bB1 VAL 139 HA -0.02 -0.06 0.60 -0.75 4.13 3.90 2j5bB1 VAL 139 HB -0.02 0.20 0.20 -0.04 2.12 2.46 2j5bB1 VAL 139 HG13 -0.01 -0.05 -0.11 -0.04 0.97 0.76 2j5bB1 VAL 139 HG23 -0.01 0.09 0.01 -0.04 0.95 1.00 2j5bB1 LYS 140 H -0.01 0.19 0.15 -0.55 8.42 8.20 2j5bB1 LYS 140 HA -0.01 0.14 0.41 -0.75 4.32 4.10 2j5bB1 LYS 140 HB2 -0.01 0.01 -0.05 -0.04 1.87 1.78 2j5bB1 LYS 140 HB3 -0.01 -0.09 0.06 -0.04 1.79 1.72 2j5bB1 LYS 140 HG2 -0.01 -0.02 0.09 -0.04 1.46 1.48 2j5bB1 LYS 140 HG3 -0.02 0.31 -0.62 -0.04 1.46 1.09 2j5bB1 LYS 140 HD2 -0.01 -0.05 -0.07 -0.04 1.69 1.51 2j5bB1 LYS 140 HD3 -0.01 -0.11 -0.01 -0.04 1.68 1.51 2j5bB1 LYS 140 HE2 -0.01 -0.04 0.02 -0.04 2.99 2.91 2j5bB1 LYS 140 HE3 -0.03 0.27 0.00 -0.04 2.99 3.19 2j5bB1 ILE 159 HA -0.30 -0.12 0.24 -0.75 4.18 3.24 2j5bB1 ILE 159 HB -0.04 0.04 0.04 -0.04 1.89 1.88 2j5bB1 ILE 159 HG12 -0.06 -0.02 0.05 -0.04 1.49 1.42 2j5bB1 ILE 159 HG13 -0.08 0.05 0.05 -0.04 1.21 1.18 2j5bB1 ILE 159 HG23 0.09 -0.03 -0.10 -0.04 0.93 0.85 2j5bB1 ILE 159 HD13 0.01 0.01 0.01 -0.04 0.88 0.86 2j5bB1 PHE 160 H -0.08 -0.05 0.16 -0.55 8.34 7.83 2j5bB1 PHE 160 HA 0.05 0.26 0.92 -0.75 4.62 5.09 2j5bB1 PHE 160 HB2 0.10 -0.02 0.01 -0.04 3.15 3.20 2j5bB1 PHE 160 HB3 0.07 -0.01 0.03 -0.04 3.06 3.11 2j5bB1 PHE 160 HD2 0.04 0.03 -0.06 -0.04 7.28 7.25 2j5bB1 PHE 160 HE2 0.02 0.02 -0.05 -0.04 7.38 7.34 2j5bB1 PHE 160 HZ 0.02 0.01 -0.04 -0.04 7.32 7.26 2j5bB1 TYR 161 H 0.26 0.01 0.13 -0.55 8.29 8.14 2j5bB1 TYR 161 HA 0.21 0.03 0.34 -0.75 4.56 4.38 2j5bB1 TYR 161 HB2 0.10 0.04 0.10 -0.04 3.06 3.26 2j5bB1 TYR 161 HB3 0.06 0.01 0.12 -0.04 2.98 3.12 2j5bB1 TYR 161 HD2 0.07 -0.01 -0.05 -0.04 7.15 7.12 2j5bB1 TYR 161 HE2 0.03 0.00 -0.06 -0.04 6.85 6.77 2j5bB1 PRO 162 HA -0.62 0.02 0.45 -0.51 4.44 3.77 2j5bB1 PRO 162 HB2 -0.09 0.10 -0.05 -0.04 2.28 2.20 2j5bB1 PRO 162 HB3 -0.22 0.02 -0.03 -0.04 2.02 1.75 2j5bB1 PRO 162 HG2 -0.06 0.14 -0.08 -0.04 2.03 1.99 2j5bB1 PRO 162 HG3 -0.42 0.01 -0.06 -0.04 2.03 1.52 2j5bB1 PRO 162 HD2 0.01 0.18 -0.48 -0.04 3.68 3.34 2j5bB1 PRO 162 HD3 0.11 0.02 -0.10 -0.04 3.65 3.64 2j5bB1 CYS 163 H 0.02 0.27 -0.11 -0.55 8.50 8.14 2j5bB1 CYS 163 HA 0.01 0.04 0.33 -0.75 4.58 4.21 2j5bB1 CYS 163 HB2 0.11 0.07 0.12 -0.04 2.97 3.22 2j5bB1 CYS 163 HB3 0.03 0.03 -0.01 -0.04 2.97 2.98 2j5bB1 MET 164 H 0.13 0.49 -0.27 -0.55 8.47 8.27 2j5bB1 MET 164 HA 0.10 0.07 0.40 -0.75 4.52 4.32 2j5bB1 MET 164 HB2 0.39 0.07 0.01 -0.04 2.15 2.58 2j5bB1 MET 164 HB3 0.55 -0.05 -0.05 -0.04 2.03 2.43 2j5bB1 MET 164 HG2 0.16 0.01 -0.07 -0.04 2.63 2.69 2j5bB1 MET 164 HG3 0.22 0.11 -0.14 -0.04 2.56 2.71 2j5bB1 MET 164 HE3 0.36 -0.00 -0.07 -0.04 2.10 2.35 2j5bB1 GLN 165 H 0.05 0.45 -0.13 -0.55 8.47 8.30 2j5bB1 GLN 165 HA 0.01 0.03 0.52 -0.75 4.36 4.16 2j5bB1 GLN 165 HB2 0.01 -0.02 0.07 -0.04 2.15 2.17 2j5bB1 GLN 165 HB3 -0.06 0.11 0.14 -0.04 2.02 2.17 2j5bB1 GLN 165 HG2 0.04 0.02 -0.23 -0.04 2.40 2.19 2j5bB1 GLN 165 HG3 0.03 -0.06 0.01 -0.04 2.39 2.34 2j5bB1 GLN 165 HE21 0.07 -0.02 -0.02 -0.04 6.97 6.97 2j5bB1 GLN 165 HE22 0.05 0.00 -0.06 -0.04 7.69 7.64 2j5bB1 ALA 166 H 0.00 0.60 -0.12 -0.55 8.40 8.33 2j5bB1 ALA 166 HA 0.01 -0.03 0.31 -0.75 4.34 3.88 2j5bB1 ALA 166 HB3 0.03 0.04 0.06 -0.04 1.41 1.49 2j5bB1 ALA 167 H 0.07 0.29 -0.63 -0.55 8.40 7.58 2j5bB1 ALA 167 HA 0.23 0.09 0.35 -0.75 4.34 4.26 2j5bB1 ALA 167 HB3 0.08 0.05 -0.03 -0.04 1.41 1.48 2j5bB1 ASP 168 H 0.07 0.48 -0.36 -0.55 8.40 8.05 2j5bB1 ASP 168 HA -0.16 -0.01 0.31 -0.75 4.63 4.02 2j5bB1 ASP 168 HB2 -0.14 0.12 0.08 -0.04 2.71 2.72 2j5bB1 ASP 168 HB3 -0.62 -0.07 -0.05 -0.04 2.70 1.91 2j5bB1 VAL 169 H -0.26 0.28 -0.22 -0.55 8.24 7.48 2j5bB1 VAL 169 HA -0.51 -0.01 0.30 -0.75 4.13 3.16 2j5bB1 VAL 169 HB -0.17 -0.09 -0.00 -0.04 2.12 1.82 2j5bB1 VAL 169 HG13 -0.88 0.07 -0.09 -0.04 0.97 0.03 2j5bB1 VAL 169 HG23 -0.24 0.01 -0.11 -0.04 0.95 0.58 2j5bB1 PHE 170 H -0.09 0.26 -0.48 -0.55 8.34 7.48 2j5bB1 PHE 170 HA -0.02 0.21 0.80 -0.75 4.62 4.85 2j5bB1 PHE 170 HB2 0.03 0.04 0.02 -0.04 3.15 3.20 2j5bB1 PHE 170 HB3 0.05 0.01 0.04 -0.04 3.06 3.13 2j5bB1 PHE 170 HD2 0.00 0.03 -0.01 -0.04 7.28 7.26 2j5bB1 PHE 170 HE2 0.03 0.06 -0.01 -0.04 7.38 7.42 2j5bB1 PHE 170 HZ 0.15 0.29 0.10 -0.04 7.32 7.82 2j5bB1 GLU 171 H -0.01 0.24 -0.06 -0.55 8.60 8.22 2j5bB1 GLU 171 HA 0.09 0.35 1.01 -0.75 4.29 4.99 2j5bB1 GLU 171 HB2 0.19 -0.02 -0.06 -0.04 2.09 2.16 2j5bB1 GLU 171 HB3 0.24 -0.09 -0.05 -0.04 1.99 2.05 2j5bB1 GLU 171 HG2 0.25 0.07 -0.19 -0.04 2.34 2.42 2j5bB1 GLU 171 HG3 0.35 -0.07 -0.06 -0.04 2.34 2.52 2j5bB1 LEU 172 H -0.32 0.45 0.07 -0.55 8.37 8.03 2j5bB1 LEU 172 HA -0.76 -0.01 0.30 -0.75 4.35 3.13 2j5bB1 LEU 172 HB2 -0.47 0.03 -0.00 -0.04 1.64 1.16 2j5bB1 LEU 172 HB3 -0.48 -0.03 -0.04 -0.04 1.64 1.04 2j5bB1 LEU 172 HG -0.82 0.19 0.10 -0.04 1.64 1.07 2j5bB1 LEU 172 HD13 -0.96 -0.03 -0.13 -0.04 0.93 -0.23 2j5bB1 LEU 172 HD23 -1.59 -0.03 -0.07 -0.04 0.89 -0.84 2j5bB1 VAL 173 H -0.10 0.18 -0.54 -0.55 8.24 7.23 2j5bB1 VAL 173 HA -0.01 0.21 0.63 -0.75 4.13 4.20 2j5bB1 VAL 173 HB -0.02 0.02 -0.09 -0.04 2.12 1.98 2j5bB1 VAL 173 HG13 -0.08 -0.01 -0.32 -0.04 0.97 0.52 2j5bB1 VAL 173 HG23 -0.05 -0.07 -0.39 -0.04 0.95 0.41 2j5bB1 PRO 174 HA 0.03 0.09 0.36 -0.51 4.44 4.41 2j5bB1 PRO 174 HB2 0.01 -0.03 0.09 -0.04 2.28 2.30 2j5bB1 PRO 174 HB3 0.02 0.04 0.05 -0.04 2.02 2.09 2j5bB1 PRO 174 HG2 0.02 0.04 0.06 -0.04 2.03 2.10 2j5bB1 PRO 174 HG3 0.02 0.05 0.07 -0.04 2.03 2.13 2j5bB1 PRO 174 HD2 0.01 0.09 0.12 -0.04 3.68 3.85 2j5bB1 PRO 174 HD3 0.03 0.18 0.14 -0.04 3.65 3.95 2j5bB1 GLU 175 H 0.01 0.06 -0.18 -0.55 8.60 7.94 2j5bB1 GLU 175 HA 0.03 0.10 0.54 -0.75 4.29 4.21 2j5bB1 GLU 175 HB2 0.02 -0.07 0.05 -0.04 2.09 2.05 2j5bB1 GLU 175 HB3 0.02 -0.00 -0.03 -0.04 1.99 1.94 2j5bB1 GLU 175 HG2 0.03 0.11 0.11 -0.04 2.34 2.55 2j5bB1 GLU 175 HG3 0.02 -0.04 0.11 -0.04 2.34 2.39 2j5bB1 GLY 176 H 0.01 0.29 -0.64 -0.55 8.43 7.55 2j5bB1 GLY 176 HA2 -0.00 -0.05 0.22 -0.51 4.01 3.67 2j5bB1 GLY 176 HA3 0.06 0.15 0.60 -0.51 4.01 4.31 2j5bB1 ILE 177 H -0.13 0.28 0.08 -0.55 8.25 7.94 2j5bB1 ILE 177 HA -0.03 -0.07 0.26 -0.75 4.18 3.59 2j5bB1 ILE 177 HB -0.15 0.02 0.01 -0.04 1.89 1.74 2j5bB1 ILE 177 HG12 -0.25 -0.03 -0.04 -0.04 1.49 1.13 2j5bB1 ILE 177 HG13 -0.41 -0.06 -0.13 -0.04 1.21 0.57 2j5bB1 ILE 177 HG23 0.11 -0.04 -0.35 -0.04 0.93 0.60 2j5bB1 ILE 177 HD13 -0.10 0.01 -0.24 -0.04 0.88 0.51 2j5bB1 ASP 178 H 0.05 0.09 0.21 -0.55 8.40 8.21 2j5bB1 ASP 178 HA 0.01 0.15 0.58 -0.75 4.63 4.62 2j5bB1 ASP 178 HB2 0.16 0.20 0.35 -0.04 2.71 3.38 2j5bB1 ASP 178 HB3 0.01 -0.02 0.08 -0.04 2.70 2.72 2j5bB1 ILE 179 H 0.09 0.49 0.35 -0.55 8.25 8.63 2j5bB1 ILE 179 HA -0.00 0.35 1.22 -0.75 4.18 5.00 2j5bB1 ILE 179 HB 0.08 -0.08 0.11 -0.04 1.89 1.96 2j5bB1 ILE 179 HG12 -0.08 0.03 -0.16 -0.04 1.49 1.24 2j5bB1 ILE 179 HG13 -0.04 -0.07 -0.27 -0.04 1.21 0.79 2j5bB1 ILE 179 HG23 -0.00 -0.00 -0.28 -0.04 0.93 0.60 2j5bB1 ILE 179 HD13 -0.17 0.01 -0.12 -0.04 0.88 0.55 2j5bB1 CYS 180 H 0.00 0.71 0.25 -0.55 8.50 8.91 2j5bB1 CYS 180 HA 0.03 0.09 0.76 -0.75 4.58 4.71 2j5bB1 CYS 180 HB2 0.10 0.03 -0.02 -0.04 2.97 3.03 2j5bB1 CYS 180 HB3 -0.00 0.02 0.12 -0.04 2.97 3.07 2j5bB1 GLN 181 H -0.19 0.62 0.29 -0.55 8.47 8.65 2j5bB1 GLN 181 HA -0.04 0.32 0.99 -0.75 4.36 4.87 2j5bB1 GLN 181 HB2 -0.03 -0.03 0.02 -0.04 2.15 2.07 2j5bB1 GLN 181 HB3 -0.06 -0.06 0.16 -0.04 2.02 2.01 2j5bB1 GLN 181 HG2 0.02 0.11 0.04 -0.04 2.40 2.53 2j5bB1 GLN 181 HG3 0.01 -0.02 -0.06 -0.04 2.39 2.28 2j5bB1 GLN 181 HE21 0.69 -0.20 -0.14 -0.04 6.97 7.28 2j5bB1 GLN 181 HE22 0.10 0.52 0.09 -0.04 7.69 8.36 2j5bB1 LEU 182 H -0.09 0.30 0.10 -0.55 8.37 8.13 2j5bB1 LEU 182 HA -0.05 0.19 0.93 -0.75 4.35 4.66 2j5bB1 LEU 182 HB2 -0.10 0.02 -0.08 -0.04 1.64 1.44 2j5bB1 LEU 182 HB3 -0.09 -0.12 0.15 -0.04 1.64 1.54 2j5bB1 LEU 182 HG -0.21 -0.01 -0.45 -0.04 1.64 0.93 2j5bB1 LEU 182 HD13 -0.04 -0.01 -0.07 -0.04 0.93 0.77 2j5bB1 LEU 182 HD23 -0.21 0.08 0.09 -0.04 0.89 0.81 2j5bB1 GLY 183 H -0.17 0.11 0.16 -0.55 8.43 7.98 2j5bB1 GLY 183 HA2 -1.16 0.20 0.56 -0.51 4.01 3.09 2j5bB1 GLY 183 HA3 -0.33 0.00 0.34 -0.51 4.01 3.52 2j5bB1 ILE 184 H -0.27 0.60 0.20 -0.55 8.25 8.23 2j5bB1 ILE 184 HA -0.11 0.08 0.31 -0.75 4.18 3.71 2j5bB1 ILE 184 HB -0.11 0.22 0.02 -0.04 1.89 1.97 2j5bB1 ILE 184 HG12 -0.03 -0.01 0.00 -0.04 1.49 1.41 2j5bB1 ILE 184 HG13 -0.05 -0.02 -0.02 -0.04 1.21 1.07 2j5bB1 ILE 184 HG23 -0.08 -0.02 -0.15 -0.04 0.93 0.63 2j5bB1 ILE 184 HD13 -0.00 0.02 -0.17 -0.04 0.88 0.69 2j5bB1 ASP 185 H -0.12 0.06 -0.44 -0.55 8.40 7.36 2j5bB1 ASP 185 HA -0.04 0.15 0.49 -0.75 4.63 4.47 2j5bB1 ASP 185 HB2 -0.03 0.05 0.10 -0.04 2.71 2.79 2j5bB1 ASP 185 HB3 -0.07 0.02 0.05 -0.04 2.70 2.65 2j5bB1 GLN 186 H -0.07 0.56 -0.47 -0.55 8.47 7.94 2j5bB1 GLN 186 HA 0.03 0.16 0.74 -0.75 4.36 4.54 2j5bB1 GLN 186 HB2 -0.05 0.18 -0.00 -0.04 2.15 2.23 2j5bB1 GLN 186 HB3 0.00 -0.06 0.12 -0.04 2.02 2.04 2j5bB1 GLN 186 HG2 -0.03 -0.09 -0.10 -0.04 2.40 2.14 2j5bB1 GLN 186 HG3 -0.01 -0.01 0.03 -0.04 2.39 2.36 2j5bB1 GLN 186 HE21 0.06 0.03 -0.06 -0.04 6.97 6.95 2j5bB1 GLN 186 HE22 0.01 -0.06 -0.17 -0.04 7.69 7.43 2j5bB1 ARG 187 H -0.02 0.36 -0.40 -0.55 8.46 7.84 2j5bB1 ARG 187 HA -0.02 0.03 0.27 -0.75 4.34 3.87 2j5bB1 ARG 187 HB2 -0.02 0.24 0.14 -0.04 1.90 2.22 2j5bB1 ARG 187 HB3 -0.00 -0.04 0.06 -0.04 1.80 1.78 2j5bB1 ARG 187 HG2 0.01 -0.00 -0.21 -0.04 1.67 1.42 2j5bB1 ARG 187 HG3 -0.00 -0.04 -0.04 -0.04 1.67 1.55 2j5bB1 ARG 187 HD2 0.00 0.01 -0.05 -0.04 3.22 3.14 2j5bB1 ARG 187 HD3 -0.01 -0.01 -0.02 -0.04 3.22 3.14 2j5bB1 LYS 188 H 0.01 0.16 -0.21 -0.55 8.42 7.84 2j5bB1 LYS 188 HA 0.02 0.08 0.31 -0.75 4.32 3.97 2j5bB1 LYS 188 HB2 0.03 -0.01 0.02 -0.04 1.87 1.87 2j5bB1 LYS 188 HB3 0.01 0.03 -0.07 -0.04 1.79 1.72 2j5bB1 LYS 188 HG2 0.03 0.04 -0.01 -0.04 1.46 1.49 2j5bB1 LYS 188 HG3 0.02 0.03 0.01 -0.04 1.46 1.49 2j5bB1 LYS 188 HD2 0.02 -0.12 -0.02 -0.04 1.69 1.53 2j5bB1 LYS 188 HD3 0.03 0.03 -0.00 -0.04 1.68 1.70 2j5bB1 LYS 188 HE2 0.01 0.01 -0.02 -0.04 2.99 2.96 2j5bB1 LYS 188 HE3 0.02 0.03 -0.01 -0.04 2.99 2.99 2j5bB1 VAL 189 H -0.00 0.26 -0.31 -0.55 8.24 7.63 2j5bB1 VAL 189 HA -0.04 0.06 0.44 -0.75 4.13 3.84 2j5bB1 VAL 189 HB -0.01 0.12 0.11 -0.04 2.12 2.31 2j5bB1 VAL 189 HG13 -0.02 0.02 -0.20 -0.04 0.97 0.73 2j5bB1 VAL 189 HG23 -0.11 -0.02 0.02 -0.04 0.95 0.79 2j5bB1 ASN 190 H 0.00 0.34 -0.04 -0.55 8.53 8.28 2j5bB1 ASN 190 HA 0.01 0.06 0.40 -0.75 4.76 4.47 2j5bB1 ASN 190 HB2 -0.00 0.03 0.00 -0.04 2.88 2.87 2j5bB1 ASN 190 HB3 -0.01 -0.02 0.02 -0.04 2.79 2.75 2j5bB1 ASN 190 HD21 -0.01 -0.09 -0.03 -0.04 7.03 6.87 2j5bB1 ASN 190 HD22 0.01 0.00 -0.35 -0.04 7.74 7.36 2j5bB1 MET 191 H 0.02 0.36 -0.47 -0.55 8.47 7.83 2j5bB1 MET 191 HA 0.04 0.07 0.48 -0.75 4.52 4.35 2j5bB1 MET 191 HB2 0.03 0.11 0.08 -0.04 2.15 2.34 2j5bB1 MET 191 HB3 0.05 -0.02 -0.01 -0.04 2.03 2.00 2j5bB1 MET 191 HG2 0.02 0.25 -0.07 -0.04 2.63 2.78 2j5bB1 MET 191 HG3 0.02 -0.05 -0.09 -0.04 2.56 2.40 2j5bB1 MET 191 HE3 0.02 -0.00 -0.03 -0.04 2.10 2.05 2j5bB1 LEU 192 H 0.05 0.42 -0.12 -0.55 8.37 8.17 2j5bB1 LEU 192 HA 0.17 0.04 0.45 -0.75 4.35 4.26 2j5bB1 LEU 192 HB2 0.07 0.02 0.13 -0.04 1.64 1.82 2j5bB1 LEU 192 HB3 0.06 0.15 0.22 -0.04 1.64 2.03 2j5bB1 LEU 192 HG 0.14 0.00 -0.22 -0.04 1.64 1.53 2j5bB1 LEU 192 HD13 0.26 -0.00 0.01 -0.04 0.93 1.15 2j5bB1 LEU 192 HD23 0.04 -0.00 -0.16 -0.04 0.89 0.73 2j5bB1 ALA 193 H 0.09 0.50 -0.04 -0.55 8.40 8.40 2j5bB1 ALA 193 HA 0.33 0.02 0.32 -0.75 4.34 4.25 2j5bB1 ALA 193 HB3 -0.01 0.03 0.09 -0.04 1.41 1.48 2j5bB1 ILE 194 H 0.10 0.30 -0.52 -0.55 8.25 7.58 2j5bB1 ILE 194 HA 0.12 0.08 0.51 -0.75 4.18 4.13 2j5bB1 ILE 194 HB 0.06 0.07 0.16 -0.04 1.89 2.14 2j5bB1 ILE 194 HG12 0.03 0.11 0.06 -0.04 1.49 1.65 2j5bB1 ILE 194 HG13 0.04 0.19 0.11 -0.04 1.21 1.50 2j5bB1 ILE 194 HG23 0.04 -0.03 -0.08 -0.04 0.93 0.82 2j5bB1 ILE 194 HD13 0.02 -0.07 -0.00 -0.04 0.88 0.78 2j5bB1 GLU 195 H 0.13 0.52 -0.05 -0.55 8.60 8.66 2j5bB1 GLU 195 HA 0.09 -0.01 0.42 -0.75 4.29 4.03 2j5bB1 GLU 195 HB2 0.29 0.10 0.28 -0.04 2.09 2.71 2j5bB1 GLU 195 HB3 0.46 -0.03 -0.01 -0.04 1.99 2.37 2j5bB1 GLU 195 HG2 0.12 0.09 0.08 -0.04 2.34 2.59 2j5bB1 GLU 195 HG3 0.17 -0.06 0.00 -0.04 2.34 2.41 2j5bB1 TYR 196 H 0.14 0.74 -0.07 -0.55 8.29 8.55 2j5bB1 TYR 196 HA -1.32 0.00 0.32 -0.75 4.56 2.81 2j5bB1 TYR 196 HB2 -0.15 -0.05 0.03 -0.04 3.06 2.85 2j5bB1 TYR 196 HB3 -0.03 0.10 0.08 -0.04 2.98 3.09 2j5bB1 TYR 196 HD2 -0.50 0.04 -0.08 -0.04 7.15 6.56 2j5bB1 TYR 196 HE2 -0.51 0.03 -0.19 -0.04 6.85 6.13 2j5bB1 ALA 197 H 0.16 0.58 -0.17 -0.55 8.40 8.43 2j5bB1 ALA 197 HA -0.29 -0.04 0.30 -0.75 4.34 3.55 2j5bB1 ALA 197 HB3 0.24 0.06 0.00 -0.04 1.41 1.67 2j5bB1 ASN 198 H -0.07 0.51 -0.28 -0.55 8.53 8.14 2j5bB1 ASN 198 HA -0.06 0.04 0.51 -0.75 4.76 4.50 2j5bB1 ASN 198 HB2 -0.03 0.16 0.17 -0.04 2.88 3.15 2j5bB1 ASN 198 HB3 -0.02 -0.08 0.05 -0.04 2.79 2.69 2j5bB1 ASN 198 HD21 0.01 -0.08 -0.01 -0.04 7.03 6.91 2j5bB1 ASN 198 HD22 0.02 -0.05 -0.00 -0.04 7.74 7.67 2j5bB1 ASP 199 H -0.29 0.48 -0.12 -0.55 8.40 7.92 2j5bB1 ASP 199 HA -0.10 0.04 0.54 -0.75 4.63 4.36 2j5bB1 ASP 199 HB2 -0.08 -0.03 0.09 -0.04 2.71 2.65 2j5bB1 ASP 199 HB3 -0.68 0.08 0.10 -0.04 2.70 2.15 2j5bB1 ARG 200 H -0.33 0.23 -0.60 -0.55 8.46 7.21 2j5bB1 ARG 200 HA -0.24 0.14 0.85 -0.75 4.34 4.34 2j5bB1 ARG 200 HB2 -0.69 0.04 -0.03 -0.04 1.90 1.17 2j5bB1 ARG 200 HB3 -0.41 -0.07 0.08 -0.04 1.80 1.36 2j5bB1 ARG 200 HG2 -0.71 0.01 -0.43 -0.04 1.67 0.50 2j5bB1 ARG 200 HG3 -1.69 -0.08 -0.14 -0.04 1.67 -0.28 2j5bB1 ARG 200 HD2 -0.28 -0.05 -0.02 -0.04 3.22 2.83 2j5bB1 ARG 200 HD3 -0.23 0.07 0.02 -0.04 3.22 3.04 2j5bB1 GLY 201 H -0.16 0.23 -0.11 -0.55 8.43 7.85 2j5bB1 GLY 201 HA2 -0.08 0.01 0.35 -0.51 4.01 3.79 2j5bB1 GLY 201 HA3 -0.08 -0.04 0.38 -0.51 4.01 3.76 2j5bB1 LEU 202 H -0.14 0.38 -0.11 -0.55 8.37 7.94 2j5bB1 LEU 202 HA -0.04 0.11 0.68 -0.75 4.35 4.35 2j5bB1 LEU 202 HB2 -0.08 -0.01 -0.01 -0.04 1.64 1.49 2j5bB1 LEU 202 HB3 0.01 -0.02 0.11 -0.04 1.64 1.70 2j5bB1 LEU 202 HG -0.29 0.01 -0.19 -0.04 1.64 1.13 2j5bB1 LEU 202 HD13 -0.45 -0.02 -0.06 -0.04 0.93 0.36 2j5bB1 LEU 202 HD23 -0.10 0.01 -0.06 -0.04 0.89 0.70 2j5bB1 LYS 203 H 0.06 0.12 0.12 -0.55 8.42 8.17 2j5bB1 LYS 203 HA 0.03 -0.01 0.41 -0.75 4.32 3.99 2j5bB1 LYS 203 HB2 0.04 -0.01 0.12 -0.04 1.87 1.98 2j5bB1 LYS 203 HB3 0.09 0.06 0.07 -0.04 1.79 1.97 2j5bB1 LYS 203 HG2 0.03 0.07 -0.17 -0.04 1.46 1.35 2j5bB1 LYS 203 HG3 0.02 -0.07 0.01 -0.04 1.46 1.38 2j5bB1 LYS 203 HD2 0.03 0.07 -0.22 -0.04 1.69 1.53 2j5bB1 LYS 203 HD3 0.02 -0.07 -0.08 -0.04 1.68 1.51 2j5bB1 LYS 203 HE2 0.03 -0.12 -0.01 -0.04 2.99 2.85 2j5bB1 LYS 203 HE3 0.04 0.10 0.05 -0.04 2.99 3.15 2j5bB1 ILE 204 H 0.03 0.05 0.14 -0.55 8.25 7.92 2j5bB1 ILE 204 HA 0.09 0.15 0.59 -0.75 4.18 4.26 2j5bB1 ILE 204 HB 0.01 -0.08 0.10 -0.04 1.89 1.89 2j5bB1 ILE 204 HG12 0.02 0.06 -0.09 -0.04 1.49 1.43 2j5bB1 ILE 204 HG13 0.01 0.01 0.07 -0.04 1.21 1.26 2j5bB1 ILE 204 HG23 0.03 0.03 -0.04 -0.04 0.93 0.90 2j5bB1 ILE 204 HD13 0.00 -0.03 0.01 -0.04 0.88 0.82 2j5bB1 PRO 205 HA -0.04 0.24 0.51 -0.51 4.44 4.64 2j5bB1 PRO 205 HB2 -0.10 -0.10 -0.12 -0.04 2.28 1.93 2j5bB1 PRO 205 HB3 -0.23 0.11 -0.02 -0.04 2.02 1.84 2j5bB1 PRO 205 HG2 -0.01 -0.06 -0.01 -0.04 2.03 1.90 2j5bB1 PRO 205 HG3 -0.14 -0.03 -0.13 -0.04 2.03 1.69 2j5bB1 PRO 205 HD2 0.11 0.01 0.19 -0.04 3.68 3.94 2j5bB1 PRO 205 HD3 0.13 0.29 0.15 -0.04 3.65 4.18 2j5bB1 ILE 206 H -0.03 0.79 0.40 -0.55 8.25 8.86 2j5bB1 ILE 206 HA -0.02 0.10 0.77 -0.75 4.18 4.27 2j5bB1 ILE 206 HB -0.05 0.03 0.14 -0.04 1.89 1.98 2j5bB1 ILE 206 HG12 -0.04 -0.05 -0.08 -0.04 1.49 1.29 2j5bB1 ILE 206 HG13 -0.04 0.17 0.05 -0.04 1.21 1.35 2j5bB1 ILE 206 HG23 -0.05 -0.00 -0.18 -0.04 0.93 0.65 2j5bB1 ILE 206 HD13 -0.09 -0.02 -0.16 -0.04 0.88 0.57 2j5bB1 SER 207 H -0.02 0.18 0.25 -0.55 8.46 8.32 2j5bB1 SER 207 HA -0.02 0.20 0.86 -0.75 4.49 4.77 2j5bB1 SER 207 HB2 -0.01 0.11 0.03 -0.04 3.95 4.04 2j5bB1 SER 207 HB3 -0.01 -0.19 0.17 -0.04 3.93 3.86 2j5bB1 LEU 208 H -0.03 0.58 0.19 -0.55 8.37 8.57 2j5bB1 LEU 208 HA -0.01 0.18 0.90 -0.75 4.35 4.67 2j5bB1 LEU 208 HB2 -0.01 -0.01 -0.19 -0.04 1.64 1.38 2j5bB1 LEU 208 HB3 0.00 -0.05 0.14 -0.04 1.64 1.69 2j5bB1 LEU 208 HG 0.02 -0.02 -0.08 -0.04 1.64 1.51 2j5bB1 LEU 208 HD13 -0.01 0.03 -0.06 -0.04 0.93 0.85 2j5bB1 LEU 208 HD23 0.01 0.04 -0.06 -0.04 0.89 0.84 2j5bB1 SER 209 H -0.02 0.46 0.14 -0.55 8.46 8.49 2j5bB1 SER 209 HA -0.10 0.44 1.03 -0.75 4.49 5.10 2j5bB1 SER 209 HB2 -0.05 -0.08 0.03 -0.04 3.95 3.82 2j5bB1 SER 209 HB3 -0.12 -0.07 -0.22 -0.04 3.93 3.48 2j5bB1 HIS 210 H -0.42 0.35 0.25 -0.55 8.41 8.05 2j5bB1 HIS 210 HA 0.02 0.15 0.98 -0.75 4.63 5.04 2j5bB1 HIS 210 HB2 0.01 0.05 0.13 -0.04 3.26 3.41 2j5bB1 HIS 210 HB3 0.00 0.15 -0.00 -0.04 3.20 3.31 2j5bB1 HIS 210 HD2 -0.08 0.31 -0.21 -0.04 6.97 6.95 2j5bB1 HIS 210 HE1 -0.05 0.01 -0.20 -0.04 7.75 7.46 2j5bB1 HIS 211 H 0.19 0.27 0.16 -0.55 8.41 8.48 2j5bB1 HIS 211 HA -0.10 -0.01 0.42 -0.75 4.63 4.19 2j5bB1 HIS 211 HB2 -0.12 0.07 0.10 -0.04 3.26 3.26 2j5bB1 HIS 211 HB3 -0.47 0.05 0.06 -0.04 3.20 2.79 2j5bB1 HIS 211 HD2 -1.03 -0.07 -0.39 -0.04 6.97 5.43 2j5bB1 HIS 211 HE1 -0.06 -0.02 -0.00 -0.04 7.75 7.62 2j5bB1 MET 212 H -0.70 0.16 0.15 -0.55 8.47 7.53 2j5bB1 MET 212 HA -0.18 0.09 0.76 -0.75 4.52 4.44 2j5bB1 MET 212 HB2 -0.30 0.02 0.14 -0.04 2.15 1.97 2j5bB1 MET 212 HB3 -0.18 0.08 0.00 -0.04 2.03 1.89 2j5bB1 MET 212 HG2 -0.19 -0.04 0.05 -0.04 2.63 2.41 2j5bB1 MET 212 HG3 -0.13 0.02 0.01 -0.04 2.56 2.42 2j5bB1 MET 212 HE3 -0.07 0.02 0.00 -0.04 2.10 2.01 2j5bB1 LEU 213 H -0.17 0.11 0.07 -0.55 8.37 7.84 2j5bB1 LEU 213 HA -0.08 0.00 0.32 -0.75 4.35 3.83 2j5bB1 LEU 213 HB2 -0.15 -0.05 0.12 -0.04 1.64 1.51 2j5bB1 LEU 213 HB3 -0.10 0.04 -0.03 -0.04 1.64 1.50 2j5bB1 LEU 213 HG -0.20 0.05 -0.05 -0.04 1.64 1.40 2j5bB1 LEU 213 HD13 -0.10 0.02 -0.10 -0.04 0.93 0.70 2j5bB1 LEU 213 HD23 -0.77 -0.02 -0.03 -0.04 0.89 0.04 2j5bB1 MET 214 H 0.08 0.02 0.14 -0.55 8.47 8.16 2j5bB1 MET 214 HA -0.01 0.14 0.53 -0.75 4.52 4.42 2j5bB1 MET 214 HB2 0.02 0.04 0.08 -0.04 2.15 2.25 2j5bB1 MET 214 HB3 0.06 -0.01 0.09 -0.04 2.03 2.12 2j5bB1 MET 214 HG2 0.15 -0.11 -0.03 -0.04 2.63 2.60 2j5bB1 MET 214 HG3 0.11 0.18 -0.36 -0.04 2.56 2.45 2j5bB1 MET 214 HE3 -0.01 0.07 -0.14 -0.04 2.10 1.98 2j5bB1 SER 215 H 0.01 0.19 0.15 -0.55 8.46 8.28 2j5bB1 SER 215 HA 0.06 0.18 0.56 -0.75 4.49 4.54 2j5bB1 SER 215 HB2 0.01 0.18 0.15 -0.04 3.95 4.25 2j5bB1 SER 215 HB3 -0.00 0.17 0.10 -0.04 3.93 4.16 2j5bB1 LEU 216 H 0.03 0.63 0.33 -0.55 8.37 8.81 2j5bB1 LEU 216 HA 0.01 0.04 0.47 -0.75 4.35 4.12 2j5bB1 LEU 216 HB2 -0.04 0.05 0.05 -0.04 1.64 1.66 2j5bB1 LEU 216 HB3 -0.06 0.07 0.06 -0.04 1.64 1.67 2j5bB1 LEU 216 HG -0.11 0.01 0.00 -0.04 1.64 1.50 2j5bB1 LEU 216 HD13 -0.19 0.02 -0.21 -0.04 0.93 0.50 2j5bB1 LEU 216 HD23 -0.51 -0.01 -0.04 -0.04 0.89 0.28 2j5bB1 SER 217 H 0.01 -0.01 -0.31 -0.55 8.46 7.61 2j5bB1 SER 217 HA 0.04 0.17 0.52 -0.75 4.49 4.46 2j5bB1 SER 217 HB2 -0.01 -0.04 -0.04 -0.04 3.95 3.82 2j5bB1 SER 217 HB3 -0.01 0.02 0.05 -0.04 3.93 3.95 2j5bB1 GLY 218 H 0.00 0.36 -0.47 -0.55 8.43 7.77 2j5bB1 GLY 218 HA2 -0.10 0.12 0.33 -0.51 4.01 3.85 2j5bB1 GLY 218 HA3 -0.51 0.16 0.84 -0.51 4.01 3.99 2j5bB1 PRO 219 HA -0.11 0.10 0.51 -0.51 4.44 4.43 2j5bB1 PRO 219 HB2 -0.12 0.04 0.04 -0.04 2.28 2.19 2j5bB1 PRO 219 HB3 -0.16 -0.03 0.17 -0.04 2.02 1.96 2j5bB1 PRO 219 HG2 -0.27 -0.02 0.13 -0.04 2.03 1.82 2j5bB1 PRO 219 HG3 -0.17 0.07 0.13 -0.04 2.03 2.02 2j5bB1 PRO 219 HD2 -1.01 0.11 0.29 -0.04 3.68 3.03 2j5bB1 PRO 219 HD3 -0.21 0.34 0.29 -0.04 3.65 4.03 2j5bB1 LYS 220 H -0.25 0.12 -0.15 -0.55 8.42 7.59 2j5bB1 LYS 220 HA -0.07 0.10 0.48 -0.75 4.32 4.07 2j5bB1 LYS 220 HB2 -0.14 0.03 0.02 -0.04 1.87 1.74 2j5bB1 LYS 220 HB3 -0.07 -0.01 0.10 -0.04 1.79 1.77 2j5bB1 LYS 220 HG2 -0.06 0.02 0.02 -0.04 1.46 1.39 2j5bB1 LYS 220 HG3 -0.13 -0.04 0.03 -0.04 1.46 1.29 2j5bB1 LYS 220 HD2 -0.06 0.02 0.02 -0.04 1.69 1.63 2j5bB1 LYS 220 HD3 -0.03 -0.00 0.02 -0.04 1.68 1.63 2j5bB1 LYS 220 HE2 -0.01 -0.00 0.01 -0.04 2.99 2.94 2j5bB1 LYS 220 HE3 -0.01 -0.01 0.01 -0.04 2.99 2.94 2j5bB1 LYS 221 H -0.10 0.33 -0.67 -0.55 8.42 7.42 2j5bB1 LYS 221 HA -0.04 0.09 0.78 -0.75 4.32 4.40 2j5bB1 LYS 221 HB2 -0.05 0.05 -0.17 -0.04 1.87 1.66 2j5bB1 LYS 221 HB3 -0.05 0.16 -0.14 -0.04 1.79 1.72 2j5bB1 LYS 221 HG2 -0.01 -0.08 -0.12 -0.04 1.46 1.21 2j5bB1 LYS 221 HG3 -0.01 -0.02 -0.27 -0.04 1.46 1.12 2j5bB1 LYS 221 HD2 -0.01 -0.00 0.09 -0.04 1.69 1.72 2j5bB1 LYS 221 HD3 -0.01 0.10 -0.03 -0.04 1.68 1.69 2j5bB1 LYS 221 HE2 0.01 0.05 -0.09 -0.04 2.99 2.92 2j5bB1 LYS 221 HE3 0.01 -0.20 -0.08 -0.04 2.99 2.68 2j5bB1 LYS 222 H -0.01 0.01 0.05 -0.55 8.42 7.92 2j5bB1 LYS 222 HA -0.02 0.23 0.57 -0.75 4.32 4.35 2j5bB1 LYS 222 HB2 0.00 -0.21 0.25 -0.04 1.87 1.87 2j5bB1 LYS 222 HB3 -0.00 0.08 0.19 -0.04 1.79 2.02 2j5bB1 LYS 222 HG2 -0.01 -0.02 0.10 -0.04 1.46 1.48 2j5bB1 LYS 222 HG3 -0.00 0.03 0.06 -0.04 1.46 1.50 2j5bB1 LYS 222 HD2 -0.02 -0.00 -0.42 -0.04 1.69 1.21 2j5bB1 LYS 222 HD3 -0.01 0.05 -0.05 -0.04 1.68 1.63 2j5bB1 LYS 222 HE2 -0.01 0.04 -0.06 -0.04 2.99 2.92 2j5bB1 LYS 222 HE3 -0.01 -0.02 -0.00 -0.04 2.99 2.92 2j5bB1 MET 223 H 0.01 0.22 0.18 -0.55 8.47 8.33 2j5bB1 MET 223 HA 0.04 0.02 0.39 -0.75 4.52 4.21 2j5bB1 MET 223 HB2 -0.00 0.00 -0.24 -0.04 2.15 1.87 2j5bB1 MET 223 HB3 0.02 0.00 -0.07 -0.04 2.03 1.94 2j5bB1 MET 223 HG2 0.01 0.36 0.34 -0.04 2.63 3.30 2j5bB1 MET 223 HG3 -0.01 0.02 -0.00 -0.04 2.56 2.52 2j5bB1 MET 223 HE3 0.07 0.02 -0.00 -0.04 2.10 2.14 2j5bB1 SER 224 H 0.10 0.19 0.06 -0.55 8.46 8.26 2j5bB1 SER 224 HA 0.15 0.04 0.33 -0.75 4.49 4.25 2j5bB1 SER 224 HB2 0.06 -0.04 -0.17 -0.04 3.95 3.76 2j5bB1 SER 224 HB3 0.04 0.23 0.13 -0.04 3.93 4.30 2j5bB1 LYS 225 H 0.04 0.01 -1.02 -0.55 8.42 6.90 2j5bB1 LYS 225 HA 0.03 0.19 0.49 -0.75 4.32 4.27 2j5bB1 LYS 225 HB2 0.02 -0.25 0.13 -0.04 1.87 1.72 2j5bB1 LYS 225 HB3 0.02 0.10 0.05 -0.04 1.79 1.92 2j5bB1 LYS 225 HG2 0.02 0.15 0.09 -0.04 1.46 1.68 2j5bB1 LYS 225 HG3 0.01 -0.01 0.08 -0.04 1.46 1.49 2j5bB1 LYS 225 HD2 0.01 0.03 0.03 -0.04 1.69 1.72 2j5bB1 LYS 225 HD3 0.01 0.03 0.04 -0.04 1.68 1.72 2j5bB1 LYS 225 HE2 0.00 -0.00 0.03 -0.04 2.99 2.98 2j5bB1 LYS 225 HE3 0.01 -0.01 0.02 -0.04 2.99 2.97 2j5bB1 SER 226 H 0.03 0.10 -0.06 -0.55 8.46 7.98 2j5bB1 SER 226 HA 0.03 0.26 0.63 -0.75 4.49 4.66 2j5bB1 SER 226 HB2 0.02 -0.04 0.07 -0.04 3.95 3.96 2j5bB1 SER 226 HB3 0.02 0.04 0.15 -0.04 3.93 4.11 2j5bB1 ASP 227 H 0.07 0.21 -1.32 -0.55 8.40 6.82 2j5bB1 ASP 227 HA 0.09 -0.09 0.18 -0.75 4.63 4.05 2j5bB1 ASP 227 HB2 0.26 0.03 -0.12 -0.04 2.71 2.85 2j5bB1 ASP 227 HB3 0.15 -0.34 0.00 -0.04 2.70 2.47 2j5bB1 PRO 228 HA 0.32 0.06 0.33 -0.51 4.44 4.64 2j5bB1 PRO 228 HB2 0.05 0.06 -0.04 -0.04 2.28 2.31 2j5bB1 PRO 228 HB3 0.04 0.06 0.04 -0.04 2.02 2.12 2j5bB1 PRO 228 HG2 0.05 -0.02 -0.06 -0.04 2.03 1.95 2j5bB1 PRO 228 HG3 0.03 0.09 -0.02 -0.04 2.03 2.09 2j5bB1 PRO 228 HD2 0.06 -0.19 -0.78 -0.04 3.68 2.73 2j5bB1 PRO 228 HD3 0.07 0.19 -0.05 -0.04 3.65 3.82 2j5bB1 GLN 229 H 0.05 0.26 -0.21 -0.55 8.47 8.02 2j5bB1 GLN 229 HA 0.03 0.12 0.51 -0.75 4.36 4.27 2j5bB1 GLN 229 HB2 0.02 0.04 0.07 -0.04 2.15 2.25 2j5bB1 GLN 229 HB3 0.01 0.02 -0.04 -0.04 2.02 1.97 2j5bB1 GLN 229 HG2 0.02 -0.05 -0.02 -0.04 2.40 2.32 2j5bB1 GLN 229 HG3 0.02 0.01 -0.01 -0.04 2.39 2.37 2j5bB1 GLN 229 HE21 0.01 0.00 -0.08 -0.04 6.97 6.87 2j5bB1 GLN 229 HE22 0.02 -0.03 -0.11 -0.04 7.69 7.52 2j5bB1 GLY 230 H 0.03 0.16 -0.17 -0.55 8.43 7.91 2j5bB1 GLY 230 HA2 0.00 -0.03 0.38 -0.51 4.01 3.85 2j5bB1 GLY 230 HA3 0.02 -0.11 0.28 -0.51 4.01 3.69 2j5bB1 ALA 231 H -0.08 0.53 -0.47 -0.55 8.40 7.83 2j5bB1 ALA 231 HA -0.08 0.06 0.64 -0.75 4.34 4.21 2j5bB1 ALA 231 HB3 -0.40 -0.01 -0.11 -0.04 1.41 0.84 2j5bB1 ILE 232 H -0.11 0.08 0.16 -0.55 8.25 7.83 2j5bB1 ILE 232 HA -0.13 0.21 0.72 -0.75 4.18 4.22 2j5bB1 ILE 232 HB 0.03 -0.14 0.13 -0.04 1.89 1.87 2j5bB1 ILE 232 HG12 -0.08 -0.04 0.00 -0.04 1.49 1.33 2j5bB1 ILE 232 HG13 -0.00 0.02 -0.01 -0.04 1.21 1.18 2j5bB1 ILE 232 HG23 -0.02 0.02 -0.11 -0.04 0.93 0.78 2j5bB1 ILE 232 HD13 -0.08 0.04 -0.07 -0.04 0.88 0.72 2j5bB1 PHE 233 H 0.04 0.23 0.19 -0.55 8.34 8.25 2j5bB1 PHE 233 HA -0.11 0.16 0.91 -0.75 4.62 4.82 2j5bB1 PHE 233 HB2 -0.07 0.03 0.04 -0.04 3.15 3.10 2j5bB1 PHE 233 HB3 -0.07 -0.04 -0.01 -0.04 3.06 2.90 2j5bB1 PHE 233 HD2 -0.11 0.02 -0.34 -0.04 7.28 6.80 2j5bB1 PHE 233 HE2 -0.19 0.03 -0.21 -0.04 7.38 6.97 2j5bB1 PHE 233 HZ -0.16 -0.06 -0.25 -0.04 7.32 6.81 2j5bB1 MET 234 H 0.07 0.56 0.21 -0.55 8.47 8.76 2j5bB1 MET 234 HA -0.01 0.09 0.38 -0.75 4.52 4.23 2j5bB1 MET 234 HB2 -0.08 -0.02 0.07 -0.04 2.15 2.09 2j5bB1 MET 234 HB3 -0.07 0.06 0.12 -0.04 2.03 2.10 2j5bB1 MET 234 HG2 -0.11 0.09 -0.15 -0.04 2.63 2.42 2j5bB1 MET 234 HG3 -0.18 0.02 -0.05 -0.04 2.56 2.32 2j5bB1 MET 234 HE3 -0.14 0.03 -0.05 -0.04 2.10 1.89 2j5bB1 ASP 235 H 0.10 -0.09 -0.53 -0.55 8.40 7.32 2j5bB1 ASP 235 HA 0.00 0.26 0.77 -0.75 4.63 4.91 2j5bB1 ASP 235 HB2 -0.07 0.12 0.09 -0.04 2.71 2.81 2j5bB1 ASP 235 HB3 -0.00 -0.01 -0.01 -0.04 2.70 2.64 2j5bB1 ASP 236 H 0.07 0.31 -0.18 -0.55 8.40 8.06 2j5bB1 ASP 236 HA 0.03 0.02 0.43 -0.75 4.63 4.35 2j5bB1 ASP 236 HB2 0.04 0.15 0.15 -0.04 2.71 3.01 2j5bB1 ASP 236 HB3 0.03 -0.03 -0.04 -0.04 2.70 2.62 2j5bB1 THR 237 H 0.01 0.04 0.19 -0.55 8.28 7.97 2j5bB1 THR 237 HA 0.01 0.25 0.48 -0.75 4.39 4.37 2j5bB1 THR 237 HB 0.00 -0.03 0.18 -0.04 4.32 4.43 2j5bB1 THR 237 HG23 -0.00 0.06 0.08 -0.04 1.22 1.32 2j5bB1 GLU 238 H 0.01 0.22 0.16 -0.55 8.60 8.44 2j5bB1 GLU 238 HA 0.01 0.14 0.42 -0.75 4.29 4.10 2j5bB1 GLU 238 HB2 0.00 -0.03 0.16 -0.04 2.09 2.19 2j5bB1 GLU 238 HB3 0.00 0.03 -0.05 -0.04 1.99 1.93 2j5bB1 GLU 238 HG2 0.01 0.02 0.06 -0.04 2.34 2.39 2j5bB1 GLU 238 HG3 0.01 0.05 0.07 -0.04 2.34 2.42 2j5bB1 GLN 239 H 0.00 0.11 -0.10 -0.55 8.47 7.93 2j5bB1 GLN 239 HA -0.00 0.11 0.40 -0.75 4.36 4.11 2j5bB1 GLN 239 HB2 -0.00 0.03 0.08 -0.04 2.15 2.22 2j5bB1 GLN 239 HB3 -0.00 -0.01 0.02 -0.04 2.02 1.99 2j5bB1 GLN 239 HG2 -0.00 -0.01 -0.08 -0.04 2.40 2.26 2j5bB1 GLN 239 HG3 -0.00 0.03 0.01 -0.04 2.39 2.38 2j5bB1 GLN 239 HE21 -0.00 0.03 -0.03 -0.04 6.97 6.93 2j5bB1 GLN 239 HE22 -0.00 0.00 -0.02 -0.04 7.69 7.63 2j5bB1 GLU 240 H 0.00 0.05 -0.35 -0.55 8.60 7.76 2j5bB1 GLU 240 HA 0.00 0.09 0.44 -0.75 4.29 4.06 2j5bB1 GLU 240 HB2 0.01 0.02 0.12 -0.04 2.09 2.20 2j5bB1 GLU 240 HB3 0.02 0.07 0.01 -0.04 1.99 2.04 2j5bB1 GLU 240 HG2 0.01 0.07 0.02 -0.04 2.34 2.39 2j5bB1 GLU 240 HG3 0.00 -0.08 0.01 -0.04 2.34 2.24 2j5bB1 VAL 241 H 0.00 0.54 -0.19 -0.55 8.24 8.05 2j5bB1 VAL 241 HA -0.01 0.02 0.41 -0.75 4.13 3.80 2j5bB1 VAL 241 HB 0.00 0.13 0.14 -0.04 2.12 2.34 2j5bB1 VAL 241 HG13 -0.01 -0.02 -0.13 -0.04 0.97 0.77 2j5bB1 VAL 241 HG23 0.00 0.03 -0.07 -0.04 0.95 0.87 2j5bB1 SER 242 H -0.01 0.52 -0.13 -0.55 8.46 8.30 2j5bB1 SER 242 HA -0.01 0.01 0.38 -0.75 4.49 4.12 2j5bB1 SER 242 HB2 -0.01 0.08 0.13 -0.04 3.95 4.11 2j5bB1 SER 242 HB3 -0.01 -0.03 0.00 -0.04 3.93 3.85 2j5bB1 GLU 243 H -0.01 0.45 -0.27 -0.55 8.60 8.22 2j5bB1 GLU 243 HA -0.01 0.04 0.51 -0.75 4.29 4.08 2j5bB1 GLU 243 HB2 -0.00 0.02 0.10 -0.04 2.09 2.16 2j5bB1 GLU 243 HB3 -0.00 0.07 0.12 -0.04 1.99 2.14 2j5bB1 GLU 243 HG2 -0.00 -0.02 -0.02 -0.04 2.34 2.25 2j5bB1 GLU 243 HG3 -0.00 0.01 -0.15 -0.04 2.34 2.15 2j5bB1 LYS 244 H -0.02 0.51 -0.15 -0.55 8.42 8.20 2j5bB1 LYS 244 HA -0.02 0.05 0.52 -0.75 4.32 4.12 2j5bB1 LYS 244 HB2 -0.04 0.05 0.16 -0.04 1.87 2.00 2j5bB1 LYS 244 HB3 -0.06 -0.03 -0.02 -0.04 1.79 1.64 2j5bB1 LYS 244 HG2 -0.00 -0.02 0.08 -0.04 1.46 1.48 2j5bB1 LYS 244 HG3 -0.00 0.04 0.06 -0.04 1.46 1.51 2j5bB1 LYS 244 HD2 -0.01 -0.15 -0.03 -0.04 1.69 1.46 2j5bB1 LYS 244 HD3 -0.03 0.09 -0.07 -0.04 1.68 1.63 2j5bB1 LYS 244 HE2 0.06 0.07 0.03 -0.04 2.99 3.10 2j5bB1 LYS 244 HE3 0.05 -0.14 -0.01 -0.04 2.99 2.85 2j5bB1 ILE 245 H -0.04 0.48 -0.18 -0.55 8.25 7.96 2j5bB1 ILE 245 HA -0.09 0.03 0.50 -0.75 4.18 3.86 2j5bB1 ILE 245 HB -0.03 0.09 0.13 -0.04 1.89 2.03 2j5bB1 ILE 245 HG12 -0.07 0.22 0.03 -0.04 1.49 1.62 2j5bB1 ILE 245 HG13 -0.04 -0.09 -0.06 -0.04 1.21 0.98 2j5bB1 ILE 245 HG23 -0.03 -0.00 -0.06 -0.04 0.93 0.80 2j5bB1 ILE 245 HD13 -0.19 -0.02 -0.07 -0.04 0.88 0.55 2j5bB1 SER 246 H -0.02 0.43 -0.18 -0.55 8.46 8.14 2j5bB1 SER 246 HA -0.02 -0.01 0.35 -0.75 4.49 4.06 2j5bB1 SER 246 HB2 -0.01 -0.02 0.12 -0.04 3.95 4.00 2j5bB1 SER 246 HB3 -0.01 0.07 0.18 -0.04 3.93 4.12 2j5bB1 ARG 247 H -0.01 0.35 -0.31 -0.55 8.46 7.94 2j5bB1 ARG 247 HA 0.00 0.04 0.49 -0.75 4.34 4.13 2j5bB1 ARG 247 HB2 -0.00 0.08 0.07 -0.04 1.90 2.01 2j5bB1 ARG 247 HB3 0.01 -0.09 0.00 -0.04 1.80 1.68 2j5bB1 ARG 247 HG2 0.00 -0.05 -0.02 -0.04 1.67 1.56 2j5bB1 ARG 247 HG3 -0.00 0.19 0.06 -0.04 1.67 1.87 2j5bB1 ARG 247 HD2 0.01 -0.03 -0.01 -0.04 3.22 3.15 2j5bB1 ARG 247 HD3 0.01 -0.05 -0.01 -0.04 3.22 3.12 2j5bB1 ALA 248 H -0.02 0.19 -0.46 -0.55 8.40 7.57 2j5bB1 ALA 248 HA 0.03 0.01 0.33 -0.75 4.34 3.95 2j5bB1 ALA 248 HB3 -0.03 0.02 0.13 -0.04 1.41 1.48 2j5bB1 TYR 249 H 0.16 0.47 0.32 -0.55 8.29 8.69 2j5bB1 TYR 249 HA 0.01 0.03 0.48 -0.75 4.56 4.32 2j5bB1 TYR 249 HB2 0.00 0.14 -0.13 -0.04 3.06 3.04 2j5bB1 TYR 249 HB3 0.01 -0.07 0.01 -0.04 2.98 2.89 2j5bB1 TYR 249 HD2 0.01 0.03 0.05 -0.04 7.15 7.20 2j5bB1 TYR 249 HE2 0.00 0.06 0.04 -0.04 6.85 6.91 2j5bB1 CYS 250 H -0.40 0.19 0.15 -0.55 8.50 7.89 2j5bB1 CYS 250 HA -0.09 -0.06 0.63 -0.75 4.58 4.30 2j5bB1 CYS 250 HB2 -0.01 0.15 -0.28 -0.04 2.97 2.79 2j5bB1 CYS 250 HB3 -0.06 0.01 0.05 -0.04 2.97 2.94 2j5bB1 THR 251 H -0.08 0.15 0.13 -0.55 8.28 7.94 2j5bB1 THR 251 HA -0.11 0.23 0.92 -0.75 4.39 4.68 2j5bB1 THR 251 HB -0.02 -0.12 0.23 -0.04 4.32 4.37 2j5bB1 THR 251 HG23 -0.26 0.02 -0.04 -0.04 1.22 0.90 2j5bB1 ASP 252 H 0.02 0.12 0.17 -0.55 8.40 8.16 2j5bB1 ASP 252 HA 0.02 0.25 0.68 -0.75 4.63 4.82 2j5bB1 ASP 252 HB2 0.02 -0.07 0.14 -0.04 2.71 2.76 2j5bB1 ASP 252 HB3 0.02 0.02 0.22 -0.04 2.70 2.91 2j5bB1 GLU 253 H 0.10 0.01 -0.18 -0.55 8.60 7.98 2j5bB1 GLU 253 HA 0.08 0.20 0.88 -0.75 4.29 4.70 2j5bB1 GLU 253 HB2 0.07 -0.08 -0.00 -0.04 2.09 2.03 2j5bB1 GLU 253 HB3 0.05 0.05 0.07 -0.04 1.99 2.11 2j5bB1 GLU 253 HG2 0.08 -0.01 0.05 -0.04 2.34 2.42 2j5bB1 GLU 253 HG3 0.10 0.05 -0.00 -0.04 2.34 2.46 2j5bB1 THR 254 H -0.20 0.14 0.14 -0.55 8.28 7.81 2j5bB1 THR 254 HA -0.75 0.12 0.50 -0.75 4.39 3.51 2j5bB1 THR 254 HB -1.99 -0.02 0.04 -0.04 4.32 2.31 2j5bB1 THR 254 HG23 -1.11 0.01 0.03 -0.04 1.22 0.11 2j5bB1 PHE 255 H 0.05 0.02 -0.08 -0.55 8.34 7.77 2j5bB1 PHE 255 HA -0.03 0.04 0.44 -0.75 4.62 4.31 2j5bB1 PHE 255 HB2 -0.05 0.01 0.09 -0.04 3.15 3.15 2j5bB1 PHE 255 HB3 -0.02 0.00 0.03 -0.04 3.06 3.03 2j5bB1 PHE 255 HD2 0.02 -0.01 -0.03 -0.04 7.28 7.22 2j5bB1 PHE 255 HE2 0.03 0.02 -0.01 -0.04 7.38 7.37 2j5bB1 PHE 255 HZ 0.02 0.03 -0.01 -0.04 7.32 7.32 2j5bB1 ASP 256 H -0.47 0.12 0.16 -0.55 8.40 7.66 2j5bB1 ASP 256 HA -0.24 0.00 0.31 -0.75 4.63 3.94 2j5bB1 ASP 256 HB2 -0.22 0.14 -0.13 -0.04 2.71 2.46 2j5bB1 ASP 256 HB3 -0.14 -0.02 0.26 -0.04 2.70 2.76 2j5bB1 ASN 257 H 0.03 0.27 -0.34 -0.55 8.53 7.95 2j5bB1 ASN 257 HA 0.18 0.26 0.89 -0.75 4.76 5.34 2j5bB1 ASN 257 HB2 0.04 0.26 -0.17 -0.04 2.88 2.98 2j5bB1 ASN 257 HB3 0.00 -0.00 0.15 -0.04 2.79 2.90 2j5bB1 ASN 257 HD21 0.37 0.07 0.06 -0.04 7.03 7.49 2j5bB1 ASN 257 HD22 0.25 0.35 -0.01 -0.04 7.74 8.28 2j5bB1 PRO 258 HA 0.20 -0.03 0.38 -0.51 4.44 4.48 2j5bB1 PRO 258 HB2 0.06 -0.00 -0.04 -0.04 2.28 2.26 2j5bB1 PRO 258 HB3 0.13 0.19 -0.08 -0.04 2.02 2.22 2j5bB1 PRO 258 HG2 0.12 0.22 0.17 -0.04 2.03 2.50 2j5bB1 PRO 258 HG3 0.16 0.07 0.12 -0.04 2.03 2.34 2j5bB1 PRO 258 HD2 0.27 0.16 0.23 -0.04 3.68 4.30 2j5bB1 PRO 258 HD3 0.21 0.14 0.07 -0.04 3.65 4.04 2j5bB1 ILE 259 H 0.15 0.27 -0.16 -0.55 8.25 7.96 2j5bB1 ILE 259 HA 0.07 0.09 0.46 -0.75 4.18 4.05 2j5bB1 ILE 259 HB 0.27 -0.01 0.05 -0.04 1.89 2.16 2j5bB1 ILE 259 HG12 0.07 0.16 0.04 -0.04 1.49 1.71 2j5bB1 ILE 259 HG13 0.06 0.06 -0.02 -0.04 1.21 1.27 2j5bB1 ILE 259 HG23 0.17 -0.01 -0.16 -0.04 0.93 0.89 2j5bB1 ILE 259 HD13 -0.03 0.01 -0.03 -0.04 0.88 0.80 2j5bB1 PHE 260 H 0.23 0.19 -0.19 -0.55 8.34 8.02 2j5bB1 PHE 260 HA -0.02 0.04 0.37 -0.75 4.62 4.26 2j5bB1 PHE 260 HB2 -0.78 0.02 0.08 -0.04 3.15 2.43 2j5bB1 PHE 260 HB3 -0.20 0.24 0.17 -0.04 3.06 3.22 2j5bB1 PHE 260 HD2 -0.29 0.06 -0.09 -0.04 7.28 6.92 2j5bB1 PHE 260 HE2 -0.14 -0.00 -0.09 -0.04 7.38 7.11 2j5bB1 PHE 260 HZ -0.13 0.01 -0.03 -0.04 7.32 7.13 2j5bB1 GLU 261 H 0.18 0.44 -0.20 -0.55 8.60 8.48 2j5bB1 GLU 261 HA 0.04 0.02 0.42 -0.75 4.29 4.02 2j5bB1 GLU 261 HB2 0.22 0.10 0.05 -0.04 2.09 2.41 2j5bB1 GLU 261 HB3 0.26 0.12 0.09 -0.04 1.99 2.42 2j5bB1 GLU 261 HG2 0.19 -0.04 -0.05 -0.04 2.34 2.40 2j5bB1 GLU 261 HG3 0.46 -0.01 0.05 -0.04 2.34 2.80 2j5bB1 TYR 262 H 0.34 0.64 -0.12 -0.55 8.29 8.60 2j5bB1 TYR 262 HA 0.04 -0.01 0.41 -0.75 4.56 4.25 2j5bB1 TYR 262 HB2 0.03 0.17 0.18 -0.04 3.06 3.40 2j5bB1 TYR 262 HB3 0.01 -0.04 -0.02 -0.04 2.98 2.89 2j5bB1 TYR 262 HD2 0.02 0.08 0.03 -0.04 7.15 7.24 2j5bB1 TYR 262 HE2 -0.03 0.06 0.00 -0.04 6.85 6.85 2j5bB1 ILE 263 H 0.02 0.46 -0.32 -0.55 8.25 7.87 2j5bB1 ILE 263 HA -0.01 -0.03 0.41 -0.75 4.18 3.80 2j5bB1 ILE 263 HB -0.21 0.15 0.15 -0.04 1.89 1.94 2j5bB1 ILE 263 HG12 0.03 -0.07 -0.02 -0.04 1.49 1.39 2j5bB1 ILE 263 HG13 0.07 0.22 0.06 -0.04 1.21 1.52 2j5bB1 ILE 263 HG23 -0.13 -0.02 -0.20 -0.04 0.93 0.54 2j5bB1 ILE 263 HD13 0.15 -0.02 -0.12 -0.04 0.88 0.84 2j5bB1 LYS 264 H -0.43 0.59 -0.08 -0.55 8.42 7.95 2j5bB1 LYS 264 HA -0.36 -0.00 0.43 -0.75 4.32 3.64 2j5bB1 LYS 264 HB2 -1.04 -0.02 0.08 -0.04 1.87 0.84 2j5bB1 LYS 264 HB3 -0.75 0.03 0.16 -0.04 1.79 1.19 2j5bB1 LYS 264 HG2 -1.00 0.07 -0.34 -0.04 1.46 0.15 2j5bB1 LYS 264 HG3 -0.47 -0.07 -0.02 -0.04 1.46 0.87 2j5bB1 LYS 264 HD2 -0.30 -0.04 -0.04 -0.04 1.69 1.27 2j5bB1 LYS 264 HD3 -0.75 -0.01 -0.05 -0.04 1.68 0.82 2j5bB1 LYS 264 HE2 -0.56 0.06 -0.07 -0.04 2.99 2.38 2j5bB1 LYS 264 HE3 -0.24 -0.03 -0.04 -0.04 2.99 2.64 2j5bB1 TYR 265 H -0.11 0.66 0.05 -0.55 8.29 8.34 2j5bB1 TYR 265 HA -0.08 0.19 0.62 -0.75 4.56 4.54 2j5bB1 TYR 265 HB2 -0.10 0.03 0.04 -0.04 3.06 2.99 2j5bB1 TYR 265 HB3 -0.05 -0.01 0.05 -0.04 2.98 2.94 2j5bB1 TYR 265 HD2 -0.08 0.10 0.05 -0.04 7.15 7.18 2j5bB1 TYR 265 HE2 -0.22 0.01 -0.03 -0.04 6.85 6.57 2j5bB1 LEU 266 H -0.02 0.25 -0.32 -0.55 8.37 7.73 2j5bB1 LEU 266 HA 0.02 0.27 1.06 -0.75 4.35 4.95 2j5bB1 LEU 266 HB2 -0.05 0.13 0.20 -0.04 1.64 1.88 2j5bB1 LEU 266 HB3 -0.09 -0.01 -0.04 -0.04 1.64 1.47 2j5bB1 LEU 266 HG -0.20 -0.06 -0.19 -0.04 1.64 1.16 2j5bB1 LEU 266 HD13 -0.41 -0.03 -0.07 -0.04 0.93 0.37 2j5bB1 LEU 266 HD23 -0.11 0.06 -0.10 -0.04 0.89 0.69 2j5bB1 LEU 267 H 0.04 0.53 0.20 -0.55 8.37 8.59 2j5bB1 LEU 267 HA 0.21 0.06 0.34 -0.75 4.35 4.22 2j5bB1 LEU 267 HB2 0.02 -0.00 0.17 -0.04 1.64 1.78 2j5bB1 LEU 267 HB3 0.03 -0.01 -0.04 -0.04 1.64 1.58 2j5bB1 LEU 267 HG 0.12 0.07 -0.04 -0.04 1.64 1.74 2j5bB1 LEU 267 HD13 0.11 -0.00 -0.04 -0.04 0.93 0.95 2j5bB1 LEU 267 HD23 0.24 -0.01 -0.14 -0.04 0.89 0.94 2j5bB1 LEU 268 H -0.03 0.79 0.06 -0.55 8.37 8.65 2j5bB1 LEU 268 HA 0.02 -0.00 0.24 -0.75 4.35 3.86 2j5bB1 LEU 268 HB2 -0.07 -0.05 -0.04 -0.04 1.64 1.43 2j5bB1 LEU 268 HB3 -0.08 0.11 0.03 -0.04 1.64 1.66 2j5bB1 LEU 268 HG -0.02 0.11 -0.29 -0.04 1.64 1.39 2j5bB1 LEU 268 HD13 0.02 -0.02 -0.31 -0.04 0.93 0.58 2j5bB1 LEU 268 HD23 -0.04 -0.04 -0.25 -0.04 0.89 0.52 2j5bB1 ARG 269 H 0.00 0.16 -0.41 -0.55 8.46 7.66 2j5bB1 ARG 269 HA -0.01 0.05 0.34 -0.75 4.34 3.96 2j5bB1 ARG 269 HB2 0.05 0.09 -0.11 -0.04 1.90 1.89 2j5bB1 ARG 269 HB3 0.01 0.00 -0.04 -0.04 1.80 1.73 2j5bB1 ARG 269 HG2 -0.03 -0.05 -0.03 -0.04 1.67 1.51 2j5bB1 ARG 269 HG3 -0.05 0.07 -0.02 -0.04 1.67 1.63 2j5bB1 ARG 269 HD2 0.02 0.16 0.03 -0.04 3.22 3.39 2j5bB1 ARG 269 HD3 0.01 -0.01 -0.02 -0.04 3.22 3.16 2j5bB1 TRP 270 H 0.19 0.43 -0.26 -0.55 7.97 7.78 2j5bB1 TRP 270 HA -0.16 0.08 0.46 -0.75 4.62 4.25 2j5bB1 TRP 270 HB2 -0.18 0.01 0.06 -0.04 3.23 3.09 2j5bB1 TRP 270 HB3 -0.32 -0.05 0.09 -0.04 3.23 2.91 2j5bB1 TRP 270 HD1 -2.01 -0.02 -0.23 -0.04 7.22 4.91 2j5bB1 TRP 270 HE1 -0.37 -0.01 -0.03 -0.04 10.20 9.75 2j5bB1 TRP 270 HE3 -0.13 -0.01 -0.01 -0.04 7.59 7.40 2j5bB1 TRP 270 HZ2 -0.10 0.04 0.05 -0.04 7.44 7.39 2j5bB1 TRP 270 HZ3 -0.08 -0.04 0.04 -0.04 7.13 7.01 2j5bB1 TRP 270 HH2 -0.06 0.25 0.09 -0.04 7.19 7.43 2j5bB1 PHE 271 H 0.24 0.60 -0.00 -0.55 8.34 8.63 2j5bB1 PHE 271 HA 0.03 0.18 0.80 -0.75 4.62 4.87 2j5bB1 PHE 271 HB2 -0.04 0.05 0.03 -0.04 3.15 3.15 2j5bB1 PHE 271 HB3 0.05 0.01 0.08 -0.04 3.06 3.16 2j5bB1 PHE 271 HD2 0.13 0.03 0.04 -0.04 7.28 7.43 2j5bB1 PHE 271 HE2 0.23 -0.02 -0.04 -0.04 7.38 7.51 2j5bB1 PHE 271 HZ 0.23 -0.02 -0.00 -0.04 7.32 7.49 2j5bB1 GLY 272 H 0.08 0.61 -0.13 -0.55 8.43 8.44 2j5bB1 GLY 272 HA2 0.01 0.05 0.37 -0.51 4.01 3.93 2j5bB1 GLY 272 HA3 0.02 0.08 0.49 -0.51 4.01 4.09 2j5bB1 THR 273 H 0.11 0.40 -0.68 -0.55 8.28 7.56 2j5bB1 THR 273 HA 0.05 0.27 0.95 -0.75 4.39 4.90 2j5bB1 THR 273 HB 0.07 0.01 0.04 -0.04 4.32 4.39 2j5bB1 THR 273 HG23 0.04 -0.03 -0.19 -0.04 1.22 0.99 2j5bB1 LEU 274 H 0.06 0.61 0.25 -0.55 8.37 8.75 2j5bB1 LEU 274 HA -0.13 0.22 0.98 -0.75 4.35 4.66 2j5bB1 LEU 274 HB2 0.01 -0.05 -0.01 -0.04 1.64 1.55 2j5bB1 LEU 274 HB3 -0.18 -0.01 -0.17 -0.04 1.64 1.25 2j5bB1 LEU 274 HG -0.09 0.02 -0.48 -0.04 1.64 1.05 2j5bB1 LEU 274 HD13 -0.11 -0.03 -0.23 -0.04 0.93 0.52 2j5bB1 LEU 274 HD23 -0.81 0.07 -0.17 -0.04 0.89 -0.06 2j5bB1 ASN 275 H 0.30 0.24 0.06 -0.55 8.53 8.58 2j5bB1 ASN 275 HA 0.12 0.22 0.69 -0.75 4.76 5.03 2j5bB1 ASN 275 HB2 0.10 0.04 -0.03 -0.04 2.88 2.94 2j5bB1 ASN 275 HB3 0.14 0.01 0.16 -0.04 2.79 3.07 2j5bB1 ASN 275 HD21 0.02 -0.01 -0.11 -0.04 7.03 6.89 2j5bB1 ASN 275 HD22 0.02 0.04 -0.06 -0.04 7.74 7.71 2j5bB1 LEU 276 H 0.29 0.68 0.17 -0.55 8.37 8.96 2j5bB1 LEU 276 HA 0.15 0.10 0.88 -0.75 4.35 4.73 2j5bB1 LEU 276 HB2 0.23 0.07 0.01 -0.04 1.64 1.91 2j5bB1 LEU 276 HB3 0.09 0.02 -0.12 -0.04 1.64 1.59 2j5bB1 LEU 276 HG 0.05 0.00 -0.08 -0.04 1.64 1.57 2j5bB1 LEU 276 HD13 0.12 -0.02 -0.30 -0.04 0.93 0.68 2j5bB1 LEU 276 HD23 -0.08 0.00 -0.14 -0.04 0.89 0.64 2j5bB1 CYS 277 H 0.07 0.18 0.06 -0.55 8.50 8.26 2j5bB1 CYS 277 HA 0.04 0.01 0.27 -0.75 4.58 4.14 2j5bB1 CYS 277 HB2 0.08 0.18 -0.12 -0.04 2.97 3.07 2j5bB1 CYS 277 HB3 0.03 0.01 0.20 -0.04 2.97 3.17 2j5bB1 GLY 278 H 0.05 0.05 -0.34 -0.55 8.43 7.64 2j5bB1 GLY 278 HA2 0.02 -0.01 0.18 -0.51 4.01 3.69 2j5bB1 GLY 278 HA3 0.02 0.09 0.36 -0.51 4.01 3.96 2j5bB1 LYS 279 H 0.08 0.31 -0.37 -0.55 8.42 7.89 2j5bB1 LYS 279 HA -0.09 0.12 0.75 -0.75 4.32 4.35 2j5bB1 LYS 279 HB2 -0.04 0.07 -0.16 -0.04 1.87 1.70 2j5bB1 LYS 279 HB3 0.00 0.07 -0.04 -0.04 1.79 1.78 2j5bB1 LYS 279 HG2 -0.94 0.03 -0.24 -0.04 1.46 0.26 2j5bB1 LYS 279 HG3 -0.26 -0.05 0.07 -0.04 1.46 1.18 2j5bB1 LYS 279 HD2 -0.07 0.01 -0.03 -0.04 1.69 1.57 2j5bB1 LYS 279 HD3 -0.02 -0.01 -0.07 -0.04 1.68 1.53 2j5bB1 LYS 279 HE2 -0.34 -0.00 -0.05 -0.04 2.99 2.56 2j5bB1 LYS 279 HE3 -0.15 -0.00 0.00 -0.04 2.99 2.80 2j5bB1 ILE 280 H -0.18 0.16 0.10 -0.55 8.25 7.78 2j5bB1 ILE 280 HA -0.02 0.19 0.80 -0.75 4.18 4.40 2j5bB1 ILE 280 HB -0.09 -0.01 0.06 -0.04 1.89 1.81 2j5bB1 ILE 280 HG12 -0.05 -0.03 -0.03 -0.04 1.49 1.34 2j5bB1 ILE 280 HG13 -0.02 0.04 -0.06 -0.04 1.21 1.13 2j5bB1 ILE 280 HG23 0.00 0.01 -0.19 -0.04 0.93 0.70 2j5bB1 ILE 280 HD13 0.01 0.00 -0.23 -0.04 0.88 0.63 2j5bB1 TYR 281 H 0.14 0.71 0.35 -0.55 8.29 8.94 2j5bB1 TYR 281 HA 0.02 0.15 1.03 -0.75 4.56 5.01 2j5bB1 TYR 281 HB2 0.01 0.02 0.07 -0.04 3.06 3.12 2j5bB1 TYR 281 HB3 0.02 -0.08 -0.01 -0.04 2.98 2.87 2j5bB1 TYR 281 HD2 0.04 -0.03 -0.11 -0.04 7.15 7.01 2j5bB1 TYR 281 HE2 0.04 0.16 -0.14 -0.04 6.85 6.87 2j5bB1 THR 282 H 0.10 0.05 0.20 -0.55 8.28 8.09 2j5bB1 THR 282 HA 0.05 0.40 1.01 -0.75 4.39 5.11 2j5bB1 THR 282 HB 0.02 0.07 0.17 -0.04 4.32 4.54 2j5bB1 THR 282 HG23 0.02 0.01 -0.14 -0.04 1.22 1.07 2j5bB1 ASP 283 H 0.11 0.05 0.16 -0.55 8.40 8.18 2j5bB1 ASP 283 HA 0.02 0.27 0.69 -0.75 4.63 4.86 2j5bB1 ASP 283 HB2 0.03 -0.00 0.12 -0.04 2.71 2.81 2j5bB1 ASP 283 HB3 0.03 0.20 -0.11 -0.04 2.70 2.78 2j5bB1 ILE 284 H -0.00 0.31 0.12 -0.55 8.25 8.12 2j5bB1 ILE 284 HA -0.01 0.07 0.35 -0.75 4.18 3.83 2j5bB1 ILE 284 HB -0.09 0.12 0.09 -0.04 1.89 1.97 2j5bB1 ILE 284 HG12 -0.14 0.07 -0.01 -0.04 1.49 1.37 2j5bB1 ILE 284 HG13 0.12 -0.07 0.02 -0.04 1.21 1.25 2j5bB1 ILE 284 HG23 -0.01 0.02 -0.07 -0.04 0.93 0.82 2j5bB1 ILE 284 HD13 -0.35 0.01 -0.03 -0.04 0.88 0.47 2j5bB1 GLU 285 H 0.04 0.11 -0.28 -0.55 8.60 7.92 2j5bB1 GLU 285 HA 0.05 0.10 0.40 -0.75 4.29 4.09 2j5bB1 GLU 285 HB2 0.05 0.01 0.01 -0.04 2.09 2.11 2j5bB1 GLU 285 HB3 0.03 0.07 0.04 -0.04 1.99 2.08 2j5bB1 GLU 285 HG2 0.03 -0.10 0.05 -0.04 2.34 2.27 2j5bB1 GLU 285 HG3 0.02 0.09 0.02 -0.04 2.34 2.43 2j5bB1 SER 286 H 0.10 0.18 -0.14 -0.55 8.46 8.05 2j5bB1 SER 286 HA 0.12 0.09 0.45 -0.75 4.49 4.40 2j5bB1 SER 286 HB2 0.31 0.03 0.11 -0.04 3.95 4.36 2j5bB1 SER 286 HB3 0.28 0.06 0.03 -0.04 3.93 4.27 2j5bB1 ILE 287 H 0.07 0.22 -0.28 -0.55 8.25 7.71 2j5bB1 ILE 287 HA -0.42 0.08 0.38 -0.75 4.18 3.47 2j5bB1 ILE 287 HB 0.02 0.08 0.08 -0.04 1.89 2.04 2j5bB1 ILE 287 HG12 -0.92 0.02 -0.07 -0.04 1.49 0.48 2j5bB1 ILE 287 HG13 -0.11 0.03 -0.04 -0.04 1.21 1.05 2j5bB1 ILE 287 HG23 0.06 -0.00 -0.17 -0.04 0.93 0.78 2j5bB1 ILE 287 HD13 -0.10 -0.00 -0.16 -0.04 0.88 0.57 2j5bB1 GLN 288 H 0.11 0.50 -0.15 -0.55 8.47 8.38 2j5bB1 GLN 288 HA -0.05 -0.01 0.39 -0.75 4.36 3.93 2j5bB1 GLN 288 HB2 0.09 0.16 0.17 -0.04 2.15 2.52 2j5bB1 GLN 288 HB3 0.01 0.08 0.08 -0.04 2.02 2.15 2j5bB1 GLN 288 HG2 -0.51 -0.06 0.05 -0.04 2.40 1.85 2j5bB1 GLN 288 HG3 -0.10 -0.00 0.01 -0.04 2.39 2.25 2j5bB1 GLN 288 HE21 -0.04 -0.01 -0.14 -0.04 6.97 6.73 2j5bB1 GLN 288 HE22 -0.02 0.10 -0.31 -0.04 7.69 7.41 2j5bB1 GLU 289 H 0.07 0.37 -0.20 -0.55 8.60 8.29 2j5bB1 GLU 289 HA 0.04 0.02 0.42 -0.75 4.29 4.02 2j5bB1 GLU 289 HB2 0.09 0.08 0.10 -0.04 2.09 2.32 2j5bB1 GLU 289 HB3 0.05 -0.03 0.03 -0.04 1.99 2.01 2j5bB1 GLU 289 HG2 0.03 -0.05 0.04 -0.04 2.34 2.32 2j5bB1 GLU 289 HG3 0.06 0.41 0.15 -0.04 2.34 2.92 2j5bB1 ASP 290 H 0.12 0.41 -0.19 -0.55 8.40 8.19 2j5bB1 ASP 290 HA 0.08 0.09 0.59 -0.75 4.63 4.63 2j5bB1 ASP 290 HB2 0.16 0.07 0.03 -0.04 2.71 2.93 2j5bB1 ASP 290 HB3 0.14 -0.04 0.03 -0.04 2.70 2.78 2j5bB1 PHE 291 H 0.18 0.32 -0.38 -0.55 8.34 7.91 2j5bB1 PHE 291 HA -0.01 -0.03 0.25 -0.75 4.62 4.07 2j5bB1 PHE 291 HB2 -0.04 0.12 0.12 -0.04 3.15 3.31 2j5bB1 PHE 291 HB3 -0.08 -0.00 0.10 -0.04 3.06 3.03 2j5bB1 PHE 291 HD2 0.02 0.09 -0.29 -0.04 7.28 7.06 2j5bB1 PHE 291 HE2 0.06 0.07 -0.25 -0.04 7.38 7.22 2j5bB1 PHE 291 HZ 0.07 -0.09 -0.10 -0.04 7.32 7.17 2j5bB1 SER 292 H 0.13 0.15 -0.08 -0.55 8.46 8.12 2j5bB1 SER 292 HA 0.02 0.17 0.50 -0.75 4.49 4.43 2j5bB1 SER 292 HB2 0.02 -0.08 0.09 -0.04 3.95 3.95 2j5bB1 SER 292 HB3 0.07 0.01 0.18 -0.04 3.93 4.15 2j5bB1 SER 293 H -0.01 0.24 -0.33 -0.55 8.46 7.82 2j5bB1 SER 293 HA -0.03 0.11 0.69 -0.75 4.49 4.51 2j5bB1 SER 293 HB2 -0.00 -0.06 0.13 -0.04 3.95 3.98 2j5bB1 SER 293 HB3 0.00 -0.06 0.04 -0.04 3.93 3.88 2j5bB1 MET 294 H -0.14 0.51 -0.25 -0.55 8.47 8.04 2j5bB1 MET 294 HA -0.05 0.02 0.53 -0.75 4.52 4.26 2j5bB1 MET 294 HB2 -0.35 0.19 0.06 -0.04 2.15 2.01 2j5bB1 MET 294 HB3 -0.15 -0.11 -0.16 -0.04 2.03 1.57 2j5bB1 MET 294 HG2 -0.00 -0.02 -0.10 -0.04 2.63 2.47 2j5bB1 MET 294 HG3 -0.06 0.23 -0.20 -0.04 2.56 2.49 2j5bB1 MET 294 HE3 -0.14 0.00 -0.15 -0.04 2.10 1.77 2j5bB1 ASN 295 H -0.04 0.13 0.17 -0.55 8.53 8.24 2j5bB1 ASN 295 HA -0.06 0.12 0.52 -0.75 4.76 4.60 2j5bB1 ASN 295 HB2 -0.03 0.14 0.17 -0.04 2.88 3.12 2j5bB1 ASN 295 HB3 -0.03 -0.07 0.23 -0.04 2.79 2.88 2j5bB1 ASN 295 HD21 -0.02 0.02 0.04 -0.04 7.03 7.02 2j5bB1 ASN 295 HD22 -0.02 0.09 0.06 -0.04 7.74 7.83 2j5bB1 LYS 296 H -0.08 0.26 0.20 -0.55 8.42 8.25 2j5bB1 LYS 296 HA -0.11 0.06 0.36 -0.75 4.32 3.87 2j5bB1 LYS 296 HB2 -0.07 -0.01 0.08 -0.04 1.87 1.83 2j5bB1 LYS 296 HB3 -0.07 0.04 0.01 -0.04 1.79 1.74 2j5bB1 LYS 296 HG2 -0.13 0.09 0.06 -0.04 1.46 1.44 2j5bB1 LYS 296 HG3 -0.10 0.06 -0.11 -0.04 1.46 1.26 2j5bB1 LYS 296 HD2 -0.23 -0.09 -0.06 -0.04 1.69 1.27 2j5bB1 LYS 296 HD3 -0.29 -0.09 -0.22 -0.04 1.68 1.04 2j5bB1 LYS 296 HE2 -0.30 0.16 -0.02 -0.04 2.99 2.79 2j5bB1 LYS 296 HE3 -1.30 -0.09 -0.07 -0.04 2.99 1.48 2j5bB1 ARG 297 H -0.04 0.10 -0.13 -0.55 8.46 7.84 2j5bB1 ARG 297 HA -0.02 0.19 0.51 -0.75 4.34 4.26 2j5bB1 ARG 297 HB2 -0.02 -0.05 0.06 -0.04 1.90 1.85 2j5bB1 ARG 297 HB3 -0.02 0.05 0.01 -0.04 1.80 1.80 2j5bB1 ARG 297 HG2 -0.02 0.10 0.01 -0.04 1.67 1.71 2j5bB1 ARG 297 HG3 -0.03 -0.05 0.04 -0.04 1.67 1.59 2j5bB1 ARG 297 HD2 -0.02 0.04 0.01 -0.04 3.22 3.21 2j5bB1 ARG 297 HD3 -0.02 -0.02 0.01 -0.04 3.22 3.15 2j5bB1 GLU 298 H -0.03 0.10 -0.22 -0.55 8.60 7.91 2j5bB1 GLU 298 HA -0.01 0.09 0.44 -0.75 4.29 4.06 2j5bB1 GLU 298 HB2 -0.02 0.15 0.15 -0.04 2.09 2.33 2j5bB1 GLU 298 HB3 -0.00 -0.05 0.02 -0.04 1.99 1.91 2j5bB1 GLU 298 HG2 -0.01 0.03 0.03 -0.04 2.34 2.35 2j5bB1 GLU 298 HG3 -0.01 -0.05 0.02 -0.04 2.34 2.26 2j5bB1 LEU 299 H -0.03 0.50 -0.13 -0.55 8.37 8.16 2j5bB1 LEU 299 HA 0.01 -0.06 0.38 -0.75 4.35 3.93 2j5bB1 LEU 299 HB2 -0.08 0.05 -0.04 -0.04 1.64 1.54 2j5bB1 LEU 299 HB3 -0.06 0.10 0.06 -0.04 1.64 1.70 2j5bB1 LEU 299 HG 0.03 -0.01 -0.28 -0.04 1.64 1.34 2j5bB1 LEU 299 HD13 0.03 -0.02 -0.05 -0.04 0.93 0.85 2j5bB1 LEU 299 HD23 -0.10 0.02 -0.13 -0.04 0.89 0.64 2j5bB1 LYS 300 H -0.02 0.57 -0.26 -0.55 8.42 8.16 2j5bB1 LYS 300 HA 0.01 -0.02 0.35 -0.75 4.32 3.91 2j5bB1 LYS 300 HB2 -0.01 0.09 0.15 -0.04 1.87 2.05 2j5bB1 LYS 300 HB3 -0.01 -0.03 -0.09 -0.04 1.79 1.61 2j5bB1 LYS 300 HG2 -0.00 -0.08 -0.00 -0.04 1.46 1.33 2j5bB1 LYS 300 HG3 -0.01 0.05 0.06 -0.04 1.46 1.51 2j5bB1 LYS 300 HD2 -0.02 -0.08 -0.03 -0.04 1.69 1.52 2j5bB1 LYS 300 HD3 -0.02 -0.00 -0.12 -0.04 1.68 1.51 2j5bB1 LYS 300 HE2 -0.01 -0.06 -0.02 -0.04 2.99 2.86 2j5bB1 LYS 300 HE3 -0.01 -0.15 -0.06 -0.04 2.99 2.73 2j5bB1 THR 301 H -0.00 0.40 -0.36 -0.55 8.28 7.76 2j5bB1 THR 301 HA -0.01 0.02 0.42 -0.75 4.39 4.07 2j5bB1 THR 301 HB -0.01 0.12 0.19 -0.04 4.32 4.58 2j5bB1 THR 301 HG23 -0.02 -0.02 -0.07 -0.04 1.22 1.06 2j5bB1 ASP 302 H 0.02 0.49 -0.08 -0.55 8.40 8.28 2j5bB1 ASP 302 HA -0.02 0.03 0.46 -0.75 4.63 4.34 2j5bB1 ASP 302 HB2 0.08 0.07 0.24 -0.04 2.71 3.07 2j5bB1 ASP 302 HB3 0.19 0.02 0.06 -0.04 2.70 2.92 2j5bB1 VAL 303 H 0.07 0.71 -0.03 -0.55 8.24 8.44 2j5bB1 VAL 303 HA 0.17 -0.02 0.36 -0.75 4.13 3.89 2j5bB1 VAL 303 HB 0.04 0.10 0.13 -0.04 2.12 2.35 2j5bB1 VAL 303 HG13 0.06 -0.02 -0.14 -0.04 0.97 0.83 2j5bB1 VAL 303 HG23 0.08 0.02 -0.03 -0.04 0.95 0.98 2j5bB1 ALA 304 H 0.03 0.69 -0.15 -0.55 8.40 8.42 2j5bB1 ALA 304 HA 0.02 -0.03 0.38 -0.75 4.34 3.96 2j5bB1 ALA 304 HB3 -0.01 0.02 0.06 -0.04 1.41 1.45 2j5bB1 ASN 305 H -0.01 0.53 -0.19 -0.55 8.53 8.32 2j5bB1 ASN 305 HA -0.04 -0.01 0.49 -0.75 4.76 4.44 2j5bB1 ASN 305 HB2 -0.15 0.12 0.24 -0.04 2.88 3.05 2j5bB1 ASN 305 HB3 -0.20 -0.05 0.03 -0.04 2.79 2.53 2j5bB1 ASN 305 HD21 -0.05 -0.06 -0.03 -0.04 7.03 6.85 2j5bB1 ASN 305 HD22 -0.10 -0.03 -0.02 -0.04 7.74 7.55 2j5bB1 TYR 306 H 0.07 0.63 -0.07 -0.55 8.29 8.36 2j5bB1 TYR 306 HA -0.12 0.04 0.43 -0.75 4.56 4.16 2j5bB1 TYR 306 HB2 -0.00 0.10 0.15 -0.04 3.06 3.27 2j5bB1 TYR 306 HB3 0.05 -0.04 -0.03 -0.04 2.98 2.92 2j5bB1 TYR 306 HD2 -0.71 0.04 -0.04 -0.04 7.15 6.40 2j5bB1 TYR 306 HE2 -0.29 0.09 0.01 -0.04 6.85 6.62 2j5bB1 ILE 307 H 0.14 0.58 -0.10 -0.55 8.25 8.32 2j5bB1 ILE 307 HA 0.11 0.01 0.43 -0.75 4.18 3.98 2j5bB1 ILE 307 HB 0.05 0.09 0.14 -0.04 1.89 2.13 2j5bB1 ILE 307 HG12 0.14 -0.08 0.00 -0.04 1.49 1.52 2j5bB1 ILE 307 HG13 0.14 0.22 0.07 -0.04 1.21 1.59 2j5bB1 ILE 307 HG23 0.03 -0.03 -0.14 -0.04 0.93 0.75 2j5bB1 ILE 307 HD13 0.05 -0.03 -0.09 -0.04 0.88 0.77 2j5bB1 ASN 308 H 0.04 0.67 -0.14 -0.55 8.53 8.56 2j5bB1 ASN 308 HA 0.02 -0.02 0.41 -0.75 4.76 4.42 2j5bB1 ASN 308 HB2 0.01 0.18 0.19 -0.04 2.88 3.22 2j5bB1 ASN 308 HB3 0.01 -0.06 0.02 -0.04 2.79 2.72 2j5bB1 ASN 308 HD21 -0.00 0.05 0.09 -0.04 7.03 7.13 2j5bB1 ASN 308 HD22 -0.00 0.03 -0.04 -0.04 7.74 7.68 2j5bB1 THR 309 H 0.08 0.39 -0.39 -0.55 8.28 7.81 2j5bB1 THR 309 HA 0.08 0.00 0.43 -0.75 4.39 4.15 2j5bB1 THR 309 HB 0.29 0.18 0.17 -0.04 4.32 4.92 2j5bB1 THR 309 HG23 0.27 -0.01 -0.09 -0.04 1.22 1.35 2j5bB1 ILE 310 H 0.15 0.38 -0.14 -0.55 8.25 8.10 2j5bB1 ILE 310 HA 0.00 0.09 0.44 -0.75 4.18 3.95 2j5bB1 ILE 310 HB -0.16 0.07 0.19 -0.04 1.89 1.95 2j5bB1 ILE 310 HG12 -0.52 0.02 0.02 -0.04 1.49 0.98 2j5bB1 ILE 310 HG13 0.22 0.25 0.14 -0.04 1.21 1.79 2j5bB1 ILE 310 HG23 -0.72 -0.01 -0.07 -0.04 0.93 0.08 2j5bB1 ILE 310 HD13 -0.52 -0.03 -0.05 -0.04 0.88 0.24 2j5bB1 ILE 311 H -0.02 0.53 -0.03 -0.55 8.25 8.18 2j5bB1 ILE 311 HA -0.04 0.00 0.38 -0.75 4.18 3.77 2j5bB1 ILE 311 HB 0.01 0.05 0.05 -0.04 1.89 1.96 2j5bB1 ILE 311 HG12 -0.05 -0.08 -0.02 -0.04 1.49 1.29 2j5bB1 ILE 311 HG13 -0.04 0.15 0.05 -0.04 1.21 1.33 2j5bB1 ILE 311 HG23 0.01 0.01 0.01 -0.04 0.93 0.91 2j5bB1 ILE 311 HD13 -0.01 -0.01 -0.10 -0.04 0.88 0.72 2j5bB1 ASP 312 H 0.04 0.43 -0.52 -0.55 8.40 7.80 2j5bB1 ASP 312 HA 0.05 -0.06 0.41 -0.75 4.63 4.27 2j5bB1 ASP 312 HB2 0.07 0.27 0.19 -0.04 2.71 3.20 2j5bB1 ASP 312 HB3 0.06 -0.06 0.00 -0.04 2.70 2.67 2j5bB1 LEU 313 H 0.05 0.54 -0.33 -0.55 8.37 8.09 2j5bB1 LEU 313 HA 0.08 0.00 0.47 -0.75 4.35 4.15 2j5bB1 LEU 313 HB2 0.04 0.05 0.09 -0.04 1.64 1.78 2j5bB1 LEU 313 HB3 0.07 0.19 0.04 -0.04 1.64 1.90 2j5bB1 LEU 313 HG 0.11 0.08 0.16 -0.04 1.64 1.95 2j5bB1 LEU 313 HD13 0.21 0.01 0.09 -0.04 0.93 1.19 2j5bB1 LEU 313 HD23 0.12 -0.02 0.05 -0.04 0.89 1.00 2j5bB1 VAL 314 H 0.05 0.31 -0.17 -0.55 8.24 7.88 2j5bB1 VAL 314 HA 0.14 0.04 0.51 -0.75 4.13 4.06 2j5bB1 VAL 314 HB 0.07 0.19 0.21 -0.04 2.12 2.55 2j5bB1 VAL 314 HG13 0.25 -0.02 -0.08 -0.04 0.97 1.07 2j5bB1 VAL 314 HG23 -0.02 -0.01 0.04 -0.04 0.95 0.91 2j5bB1 ARG 315 H 0.10 0.50 0.01 -0.55 8.46 8.52 2j5bB1 ARG 315 HA 0.15 0.05 0.35 -0.75 4.34 4.13 2j5bB1 ARG 315 HB2 0.07 0.05 0.13 -0.04 1.90 2.10 2j5bB1 ARG 315 HB3 0.07 -0.05 0.00 -0.04 1.80 1.78 2j5bB1 ARG 315 HG2 0.05 0.03 -0.01 -0.04 1.67 1.70 2j5bB1 ARG 315 HG3 0.05 0.23 -0.04 -0.04 1.67 1.87 2j5bB1 ARG 315 HD2 0.04 -0.01 -0.04 -0.04 3.22 3.16 2j5bB1 ARG 315 HD3 0.03 -0.07 -0.01 -0.04 3.22 3.13 2j5bB1 GLU 316 H 0.10 0.62 -0.21 -0.55 8.60 8.57 2j5bB1 GLU 316 HA 0.07 0.00 0.42 -0.75 4.29 4.03 2j5bB1 GLU 316 HB2 0.07 0.03 0.12 -0.04 2.09 2.27 2j5bB1 GLU 316 HB3 0.08 0.11 0.13 -0.04 1.99 2.27 2j5bB1 GLU 316 HG2 0.05 -0.01 -0.00 -0.04 2.34 2.33 2j5bB1 GLU 316 HG3 0.05 -0.02 -0.10 -0.04 2.34 2.22 2j5bB1 HIS 317 H 0.18 0.47 -0.19 -0.55 8.41 8.32 2j5bB1 HIS 317 HA -0.06 -0.03 0.44 -0.75 4.63 4.23 2j5bB1 HIS 317 HB2 -0.04 0.18 0.25 -0.04 3.26 3.61 2j5bB1 HIS 317 HB3 -0.11 0.10 0.23 -0.04 3.20 3.38 2j5bB1 HIS 317 HD2 -1.15 -0.01 -0.14 -0.04 6.97 5.63 2j5bB1 HIS 317 HE1 -0.08 -0.04 -0.01 -0.04 7.75 7.59 2j5bB1 PHE 318 H 0.30 0.62 -0.16 -0.55 8.34 8.55 2j5bB1 PHE 318 HA -0.00 0.03 0.54 -0.75 4.62 4.43 2j5bB1 PHE 318 HB2 0.08 0.13 0.08 -0.04 3.15 3.40 2j5bB1 PHE 318 HB3 0.06 -0.05 0.15 -0.04 3.06 3.18 2j5bB1 PHE 318 HD2 0.11 0.16 0.03 -0.04 7.28 7.55 2j5bB1 PHE 318 HE2 0.09 -0.07 -0.07 -0.04 7.38 7.29 2j5bB1 PHE 318 HZ 0.03 0.01 -0.02 -0.04 7.32 7.29 2j5bB1 LYS 319 H 0.04 0.44 -0.71 -0.55 8.42 7.63 2j5bB1 LYS 319 HA 0.06 0.09 0.67 -0.75 4.32 4.38 2j5bB1 LYS 319 HB2 0.03 0.26 0.13 -0.04 1.87 2.24 2j5bB1 LYS 319 HB3 0.02 -0.12 0.06 -0.04 1.79 1.71 2j5bB1 LYS 319 HG2 0.04 -0.08 0.02 -0.04 1.46 1.41 2j5bB1 LYS 319 HG3 0.07 0.23 -0.03 -0.04 1.46 1.69 2j5bB1 LYS 319 HD2 0.04 0.01 0.01 -0.04 1.69 1.72 2j5bB1 LYS 319 HD3 0.03 -0.08 0.01 -0.04 1.68 1.60 2j5bB1 LYS 319 HE2 0.03 -0.04 -0.03 -0.04 2.99 2.91 2j5bB1 LYS 319 HE3 0.05 0.06 -0.11 -0.04 2.99 2.95 2j5bB1 LYS 320 H -0.09 0.42 -0.07 -0.55 8.42 8.12 2j5bB1 LYS 320 HA -0.05 0.06 0.46 -0.75 4.32 4.04 2j5bB1 LYS 320 HB2 -0.21 0.02 0.17 -0.04 1.87 1.81 2j5bB1 LYS 320 HB3 -0.11 -0.16 0.07 -0.04 1.79 1.55 2j5bB1 LYS 320 HG2 -0.10 -0.05 0.10 -0.04 1.46 1.37 2j5bB1 LYS 320 HG3 -0.19 0.22 0.23 -0.04 1.46 1.68 2j5bB1 LYS 320 HD2 -0.55 0.04 0.10 -0.04 1.69 1.23 2j5bB1 LYS 320 HD3 -0.18 -0.10 0.05 -0.04 1.68 1.41 2j5bB1 LYS 320 HE2 -0.19 0.05 0.09 -0.04 2.99 2.91 2j5bB1 LYS 320 HE3 -0.14 -0.03 0.04 -0.04 2.99 2.82 2j5bB1 PRO 321 HA 0.00 0.10 0.40 -0.51 4.44 4.43 2j5bB1 PRO 321 HB2 -0.01 -0.01 0.06 -0.04 2.28 2.28 2j5bB1 PRO 321 HB3 -0.00 0.02 0.12 -0.04 2.02 2.12 2j5bB1 PRO 321 HG2 -0.01 0.02 0.12 -0.04 2.03 2.12 2j5bB1 PRO 321 HG3 -0.00 0.11 0.15 -0.04 2.03 2.25 2j5bB1 PRO 321 HD2 -0.02 0.03 0.23 -0.04 3.68 3.87 2j5bB1 PRO 321 HD3 -0.02 0.23 0.31 -0.04 3.65 4.13 2j5bB1 GLU 322 H -0.03 0.13 -0.28 -0.55 8.60 7.87 2j5bB1 GLU 322 HA -0.00 0.07 0.42 -0.75 4.29 4.02 2j5bB1 GLU 322 HB2 -0.04 0.05 -0.01 -0.04 2.09 2.04 2j5bB1 GLU 322 HB3 -0.01 0.00 0.10 -0.04 1.99 2.04 2j5bB1 GLU 322 HG2 -0.01 0.03 0.03 -0.04 2.34 2.34 2j5bB1 GLU 322 HG3 -0.01 0.00 0.02 -0.04 2.34 2.32 2j5bB1 LEU 323 H -0.02 0.65 -0.42 -0.55 8.37 8.03 2j5bB1 LEU 323 HA 0.05 0.12 0.95 -0.75 4.35 4.71 2j5bB1 LEU 323 HB2 -0.03 0.23 0.03 -0.04 1.64 1.82 2j5bB1 LEU 323 HB3 0.13 -0.08 0.15 -0.04 1.64 1.80 2j5bB1 LEU 323 HG -0.16 -0.08 -0.15 -0.04 1.64 1.21 2j5bB1 LEU 323 HD13 -0.58 0.05 -0.04 -0.04 0.93 0.31 2j5bB1 LEU 323 HD23 -0.00 0.01 -0.08 -0.04 0.89 0.79 2j5bB1 SER 324 H 0.03 0.44 -0.20 -0.55 8.46 8.18 2j5bB1 SER 324 HA 0.06 0.16 0.39 -0.75 4.49 4.34 2j5bB1 SER 324 HB2 0.02 -0.02 0.04 -0.04 3.95 3.94 2j5bB1 SER 324 HB3 0.02 0.09 0.11 -0.04 3.93 4.11 2j5bB1 GLU 325 H 0.03 0.17 -0.16 -0.55 8.60 8.10 2j5bB1 GLU 325 HA 0.00 0.08 0.42 -0.75 4.29 4.04 2j5bB1 GLU 325 HB2 0.03 0.04 0.09 -0.04 2.09 2.20 2j5bB1 GLU 325 HB3 0.02 0.02 -0.07 -0.04 1.99 1.92 2j5bB1 GLU 325 HG2 0.01 0.01 0.02 -0.04 2.34 2.34 2j5bB1 GLU 325 HG3 0.01 0.02 0.02 -0.04 2.34 2.35 2j5bB1 LEU 326 H 0.07 0.12 -0.22 -0.55 8.37 7.79 2j5bB1 LEU 326 HA 0.06 -0.00 0.34 -0.75 4.35 4.00 2j5bB1 LEU 326 HB2 0.14 -0.03 0.12 -0.04 1.64 1.82 2j5bB1 LEU 326 HB3 0.26 0.16 0.04 -0.04 1.64 2.06 2j5bB1 LEU 326 HG 0.17 -0.04 0.00 -0.04 1.64 1.73 2j5bB1 LEU 326 HD13 0.39 0.01 -0.15 -0.04 0.93 1.14 2j5bB1 LEU 326 HD23 0.17 0.02 -0.01 -0.04 0.89 1.03 2j5bB1 LEU 327 H 0.12 0.61 -0.12 -0.55 8.37 8.43 2j5bB1 LEU 327 HA -0.10 0.02 0.37 -0.75 4.35 3.89 2j5bB1 LEU 327 HB2 0.21 0.16 0.16 -0.04 1.64 2.13 2j5bB1 LEU 327 HB3 0.04 0.02 0.13 -0.04 1.64 1.78 2j5bB1 LEU 327 HG 0.11 0.06 0.04 -0.04 1.64 1.81 2j5bB1 LEU 327 HD13 -0.00 -0.02 -0.08 -0.04 0.93 0.79 2j5bB1 LEU 327 HD23 -0.23 -0.03 0.04 -0.04 0.89 0.63 2j5bB1 SER 328 H -0.03 0.59 -0.15 -0.55 8.46 8.33 2j5bB1 SER 328 HA -0.09 0.04 0.41 -0.75 4.49 4.10 2j5bB1 SER 328 HB2 -0.03 0.03 0.13 -0.04 3.95 4.03 2j5bB1 SER 328 HB3 -0.05 0.06 0.17 -0.04 3.93 4.07 2j5bB1 ASN 329 H -0.12 0.54 -0.12 -0.55 8.53 8.28 2j5bB1 ASN 329 HA -0.34 -0.01 0.45 -0.75 4.76 4.10 2j5bB1 ASN 329 HB2 -0.14 0.12 0.15 -0.04 2.88 2.96 2j5bB1 ASN 329 HB3 -0.31 -0.09 -0.01 -0.04 2.79 2.34 2j5bB1 ASN 329 HD21 0.01 -0.09 -0.06 -0.04 7.03 6.85 2j5bB1 ASN 329 HD22 0.01 -0.04 -0.10 -0.04 7.74 7.57 2j5bB1 VAL 330 H -0.28 0.61 -0.11 -0.55 8.24 7.92 2j5bB1 VAL 330 HA -0.40 -0.07 0.33 -0.75 4.13 3.24 2j5bB1 VAL 330 HB -0.40 0.21 0.11 -0.04 2.12 2.00 2j5bB1 VAL 330 HG13 -0.80 -0.02 -0.09 -0.04 0.97 0.01 2j5bB1 VAL 330 HG23 -0.21 0.02 -0.02 -0.04 0.95 0.70 2j5bB1 LYS 331 H -0.26 0.52 -0.21 -0.55 8.42 7.92 2j5bB1 LYS 331 HA -0.18 0.20 0.08 -0.75 4.32 3.67 2j5bB1 LYS 331 HB2 -0.14 0.01 0.13 -0.04 1.87 1.83 2j5bB1 LYS 331 HB3 -0.11 -0.12 -0.04 -0.04 1.79 1.48 2j5bB1 LYS 331 HG2 -0.14 0.34 0.00 -0.04 1.46 1.62 2j5bB1 LYS 331 HG3 -0.16 0.20 0.05 -0.04 1.46 1.51 2j5bB1 LYS 331 HD2 -0.08 -0.11 -0.03 -0.04 1.69 1.43 2j5bB1 LYS 331 HD3 -0.07 -0.09 -0.01 -0.04 1.68 1.46 2j5bB1 LYS 331 HE2 -0.07 -0.02 -0.06 -0.04 2.99 2.81 2j5bB1 LYS 331 HE3 -0.04 -0.13 -0.02 -0.04 2.99 2.75 2j5bB1 SER 332 H -0.25 0.46 -0.20 -0.55 8.46 7.92 2j5bB1 SER 332 HA -0.07 0.00 0.39 -0.75 4.49 4.06 2j5bB1 SER 332 HB2 -0.04 -0.10 0.07 -0.04 3.95 3.83 2j5bB1 SER 332 HB3 -0.12 0.05 0.14 -0.04 3.93 3.95 2j5bB1 TYR 333 H -0.34 0.47 -0.27 -0.55 8.29 7.60 2j5bB1 TYR 333 HA -0.04 -0.03 0.31 -0.75 4.56 4.05 2j5bB1 TYR 333 HB2 -0.07 0.18 0.05 -0.04 3.06 3.18 2j5bB1 TYR 333 HB3 -0.04 -0.13 0.14 -0.04 2.98 2.91 2j5bB1 TYR 333 HD2 -0.03 -0.02 -0.07 -0.04 7.15 6.99 2j5bB1 TYR 333 HE2 -0.00 -0.06 -0.05 -0.04 6.85 6.70 2j5bB1 GLN 334 H -0.00 0.38 -1.23 -0.55 8.47 7.07 2j5bB1 GLN 334 HA -0.03 0.02 0.31 -0.75 4.36 3.90 2j5bB1 GLN 334 HB2 0.01 -0.06 -0.31 -0.04 2.15 1.75 2j5bB1 GLN 334 HB3 -0.01 -0.04 0.34 -0.04 2.02 2.26 2j5bB1 GLN 334 HG2 -0.01 0.02 0.08 -0.04 2.40 2.45 2j5bB1 GLN 334 HG3 -0.01 -0.09 0.05 -0.04 2.39 2.31 2j5bB1 GLN 334 HE21 -0.04 -0.05 -0.00 -0.04 6.97 6.83 2j5bB1 GLN 334 HE22 -0.03 0.02 0.04 -0.04 7.69 7.68 2j5bB1 GLN 335 H -0.08 0.41 -0.18 -0.55 8.47 8.08 2j5bB1 GLN 335 HA -0.12 -0.03 0.59 -0.75 4.36 4.04 2j5bB1 GLN 335 HB2 -0.12 0.44 0.05 -0.04 2.15 2.48 2j5bB1 GLN 335 HB3 -0.11 0.32 0.18 -0.04 2.02 2.37 2j5bB1 GLN 335 HG2 -0.00 -0.27 -0.11 -0.04 2.40 1.97 2j5bB1 GLN 335 HG3 0.04 0.27 -1.01 -0.04 2.39 1.66 2j5bB1 GLN 335 HE21 0.34 -0.18 0.01 -0.04 6.97 7.09 2j5bB1 GLN 335 HE22 -0.05 0.26 0.11 -0.04 7.69 7.97 2j5bB1 PRO 336 HA -0.14 -0.05 0.21 -0.51 4.44 3.94 2j5bB1 PRO 336 HB2 -0.59 -0.00 -0.01 -0.04 2.28 1.64 2j5bB1 PRO 336 HB3 -0.18 -0.04 0.02 -0.04 2.02 1.78 2j5bB1 PRO 336 HG2 -0.32 -0.06 0.07 -0.04 2.03 1.68 2j5bB1 PRO 336 HG3 -0.08 -0.19 0.03 -0.04 2.03 1.75 2j5bB1 PRO 336 HD2 -0.33 0.17 0.19 -0.04 3.68 3.68 2j5bB1 PRO 336 HD3 -0.16 0.02 0.09 -0.04 3.65 3.57