============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 17 rings ring int. center anis. iso. TYR 4 0.840 23.360 9.285 29.184 -99.200 -91.000 TYR 32 0.840 39.685 -2.459 52.649 -99.200 -91.000 PHE 44 1.000 27.737 -11.419 54.410 -99.200 -91.000 TYR 63 0.840 31.700 9.506 60.227 -99.200 -91.000 TYR 76 0.840 19.852 -6.399 60.300 -99.200 -91.000 HIS 85 0.900 23.412 -0.203 63.965 -99.200 -91.000 PHE 86 1.000 19.615 -0.075 69.242 -99.200 -91.000 PHE 111 1.000 19.981 -15.698 55.619 -99.200 -91.000 TYR 116 0.840 18.787 -2.669 64.295 -99.200 -91.000 PHE 117 1.000 14.167 -2.705 61.506 -99.200 -91.000 TYR 123 0.840 19.161 -4.196 72.376 -99.200 -91.000 TYR 147 0.840 8.677 -0.437 62.302 -99.200 -91.000 HIS 165 0.900 12.003 -3.504 57.389 -99.200 -91.000 TRP 169 1.040 15.953 -4.005 46.741 -99.200 -91.000 TRP6 169 1.020 16.704 -1.757 46.784 -99.200 -91.000 TYR 198 0.840 17.910 16.123 66.675 -99.200 -91.000 HIS 217 0.900 21.101 -1.825 58.637 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 1ytnA1 VAL 186 HA -0.01 -0.14 0.22 -0.75 4.13 3.44 1ytnA1 VAL 186 HB -0.02 0.03 0.08 -0.04 2.12 2.17 1ytnA1 VAL 186 HG13 -0.04 -0.02 -0.27 -0.04 0.97 0.60 1ytnA1 VAL 186 HG23 -0.01 -0.00 0.02 -0.04 0.95 0.91 1ytnA1 SER 187 H -0.02 0.08 0.11 -0.55 8.46 8.09 1ytnA1 SER 187 HA -0.02 0.31 0.89 -0.75 4.49 4.92 1ytnA1 SER 187 HB2 0.02 0.11 0.03 -0.04 3.95 4.07 1ytnA1 SER 187 HB3 0.02 -0.13 0.17 -0.04 3.93 3.95 1ytnA1 PRO 188 HA -0.23 0.03 0.34 -0.51 4.44 4.07 1ytnA1 PRO 188 HB2 -1.26 0.09 -0.07 -0.04 2.28 1.00 1ytnA1 PRO 188 HB3 -0.40 -0.01 0.11 -0.04 2.02 1.68 1ytnA1 PRO 188 HG2 -0.16 0.12 0.04 -0.04 2.03 1.99 1ytnA1 PRO 188 HG3 -0.15 0.07 0.04 -0.04 2.03 1.95 1ytnA1 PRO 188 HD2 -0.11 0.11 0.13 -0.04 3.68 3.77 1ytnA1 PRO 188 HD3 -0.06 0.31 0.28 -0.04 3.65 4.14 1ytnA1 TYR 189 H -0.09 0.05 -0.63 -0.55 8.29 7.07 1ytnA1 TYR 189 HA 0.01 0.18 0.89 -0.75 4.56 4.88 1ytnA1 TYR 189 HB2 0.00 -0.00 0.04 -0.04 3.06 3.06 1ytnA1 TYR 189 HB3 0.01 0.03 0.18 -0.04 2.98 3.15 1ytnA1 TYR 189 HD2 0.00 -0.02 -0.02 -0.04 7.15 7.08 1ytnA1 TYR 189 HE2 0.00 0.12 -0.06 -0.04 6.85 6.87 1ytnA1 GLY 190 H -0.00 0.42 0.01 -0.55 8.43 8.31 1ytnA1 GLY 190 HA2 0.05 0.19 0.51 -0.51 4.01 4.26 1ytnA1 GLY 190 HA3 0.02 0.01 0.42 -0.51 4.01 3.95 1ytnA1 PRO 191 HA 0.02 0.13 0.45 -0.51 4.44 4.53 1ytnA1 PRO 191 HB2 0.01 0.07 0.03 -0.04 2.28 2.34 1ytnA1 PRO 191 HB3 0.01 0.08 0.13 -0.04 2.02 2.20 1ytnA1 PRO 191 HG2 0.01 -0.07 0.17 -0.04 2.03 2.10 1ytnA1 PRO 191 HG3 0.01 0.12 0.12 -0.04 2.03 2.24 1ytnA1 PRO 191 HD2 0.02 0.09 0.29 -0.04 3.68 4.03 1ytnA1 PRO 191 HD3 0.02 0.22 0.20 -0.04 3.65 4.05 1ytnA1 GLU 192 H 0.01 0.13 -0.07 -0.55 8.60 8.13 1ytnA1 GLU 192 HA 0.00 0.12 0.34 -0.75 4.29 4.00 1ytnA1 GLU 192 HB2 -0.00 -0.07 0.12 -0.04 2.09 2.09 1ytnA1 GLU 192 HB3 -0.01 0.07 -0.06 -0.04 1.99 1.95 1ytnA1 GLU 192 HG2 -0.00 0.07 0.02 -0.04 2.34 2.39 1ytnA1 GLU 192 HG3 0.00 0.03 0.03 -0.04 2.34 2.35 1ytnA1 ALA 193 H -0.01 0.08 -0.17 -0.55 8.40 7.76 1ytnA1 ALA 193 HA -0.02 0.06 0.39 -0.75 4.34 4.01 1ytnA1 ALA 193 HB3 -0.05 0.04 -0.01 -0.04 1.41 1.36 1ytnA1 ARG 194 H 0.02 0.52 -0.30 -0.55 8.46 8.14 1ytnA1 ARG 194 HA 0.03 -0.01 0.33 -0.75 4.34 3.93 1ytnA1 ARG 194 HB2 0.03 0.12 0.05 -0.04 1.90 2.06 1ytnA1 ARG 194 HB3 0.03 -0.06 0.03 -0.04 1.80 1.77 1ytnA1 ARG 194 HG2 0.07 -0.07 -0.01 -0.04 1.67 1.63 1ytnA1 ARG 194 HG3 0.06 0.03 -0.09 -0.04 1.67 1.62 1ytnA1 ARG 194 HD2 0.08 0.01 -0.01 -0.04 3.22 3.27 1ytnA1 ARG 194 HD3 0.06 0.07 -0.14 -0.04 3.22 3.17 1ytnA1 ALA 195 H 0.01 0.32 -0.47 -0.55 8.40 7.71 1ytnA1 ALA 195 HA 0.01 -0.01 0.42 -0.75 4.34 4.01 1ytnA1 ALA 195 HB3 0.01 0.08 0.17 -0.04 1.41 1.62 1ytnA1 GLU 196 H 0.00 0.46 -0.10 -0.55 8.60 8.42 1ytnA1 GLU 196 HA 0.00 0.01 0.41 -0.75 4.29 3.96 1ytnA1 GLU 196 HB2 -0.00 0.00 0.12 -0.04 2.09 2.16 1ytnA1 GLU 196 HB3 -0.01 0.17 0.20 -0.04 1.99 2.31 1ytnA1 GLU 196 HG2 -0.01 0.00 0.02 -0.04 2.34 2.31 1ytnA1 GLU 196 HG3 -0.00 -0.04 -0.10 -0.04 2.34 2.16 1ytnA1 LEU 197 H 0.01 0.44 -0.14 -0.55 8.37 8.13 1ytnA1 LEU 197 HA 0.01 -0.02 0.35 -0.75 4.35 3.93 1ytnA1 LEU 197 HB2 0.01 -0.02 0.04 -0.04 1.64 1.63 1ytnA1 LEU 197 HB3 0.02 0.15 0.13 -0.04 1.64 1.90 1ytnA1 LEU 197 HG 0.02 0.01 -0.17 -0.04 1.64 1.47 1ytnA1 LEU 197 HD13 0.02 -0.01 -0.07 -0.04 0.93 0.83 1ytnA1 LEU 197 HD23 0.04 -0.01 -0.05 -0.04 0.89 0.83 1ytnA1 SER 198 H 0.01 0.49 -0.24 -0.55 8.46 8.18 1ytnA1 SER 198 HA 0.01 0.02 0.39 -0.75 4.49 4.15 1ytnA1 SER 198 HB2 0.01 0.15 0.16 -0.04 3.95 4.23 1ytnA1 SER 198 HB3 0.01 -0.02 -0.04 -0.04 3.93 3.84 1ytnA1 SER 199 H 0.01 0.46 -0.19 -0.55 8.46 8.19 1ytnA1 SER 199 HA 0.01 0.02 0.47 -0.75 4.49 4.23 1ytnA1 SER 199 HB2 0.00 0.06 0.16 -0.04 3.95 4.14 1ytnA1 SER 199 HB3 0.00 0.07 0.23 -0.04 3.93 4.20 1ytnA1 ARG 200 H 0.01 0.43 -0.03 -0.55 8.46 8.32 1ytnA1 ARG 200 HA 0.01 0.01 0.29 -0.75 4.34 3.89 1ytnA1 ARG 200 HB2 0.01 0.06 0.13 -0.04 1.90 2.07 1ytnA1 ARG 200 HB3 0.01 -0.02 0.02 -0.04 1.80 1.76 1ytnA1 ARG 200 HG2 0.00 -0.07 0.09 -0.04 1.67 1.66 1ytnA1 ARG 200 HG3 0.01 0.41 0.15 -0.04 1.67 2.20 1ytnA1 ARG 200 HD2 0.00 -0.07 0.01 -0.04 3.22 3.12 1ytnA1 ARG 200 HD3 0.00 -0.00 0.01 -0.04 3.22 3.19 1ytnA1 LEU 201 H 0.01 0.60 -0.07 -0.55 8.37 8.37 1ytnA1 LEU 201 HA 0.01 0.02 0.38 -0.75 4.35 4.01 1ytnA1 LEU 201 HB2 0.02 0.07 0.11 -0.04 1.64 1.79 1ytnA1 LEU 201 HB3 0.02 0.02 0.02 -0.04 1.64 1.66 1ytnA1 LEU 201 HG 0.02 0.03 0.06 -0.04 1.64 1.70 1ytnA1 LEU 201 HD13 0.02 -0.02 -0.09 -0.04 0.93 0.81 1ytnA1 LEU 201 HD23 0.02 0.01 -0.03 -0.04 0.89 0.84 1ytnA1 THR 202 H 0.01 0.52 -0.34 -0.55 8.28 7.92 1ytnA1 THR 202 HA 0.01 -0.00 0.40 -0.75 4.39 4.05 1ytnA1 THR 202 HB 0.01 0.15 0.27 -0.04 4.32 4.71 1ytnA1 THR 202 HG23 0.01 -0.04 -0.04 -0.04 1.22 1.11 1ytnA1 THR 203 H 0.01 0.67 0.05 -0.55 8.28 8.46 1ytnA1 THR 203 HA 0.01 -0.04 0.30 -0.75 4.39 3.90 1ytnA1 THR 203 HB 0.01 0.14 0.10 -0.04 4.32 4.53 1ytnA1 THR 203 HG23 0.01 -0.02 -0.06 -0.04 1.22 1.11 1ytnA1 LEU 204 H 0.01 0.41 -0.44 -0.55 8.37 7.80 1ytnA1 LEU 204 HA 0.02 -0.01 0.43 -0.75 4.35 4.03 1ytnA1 LEU 204 HB2 0.01 -0.01 0.07 -0.04 1.64 1.67 1ytnA1 LEU 204 HB3 0.02 0.27 0.17 -0.04 1.64 2.06 1ytnA1 LEU 204 HG 0.02 0.01 -0.14 -0.04 1.64 1.49 1ytnA1 LEU 204 HD13 0.02 -0.01 -0.03 -0.04 0.93 0.87 1ytnA1 LEU 204 HD23 0.02 -0.02 -0.04 -0.04 0.89 0.81 1ytnA1 ARG 205 H 0.02 0.50 0.06 -0.55 8.46 8.49 1ytnA1 ARG 205 HA 0.02 -0.07 0.48 -0.75 4.34 4.03 1ytnA1 ARG 205 HB2 0.01 0.21 0.20 -0.04 1.90 2.28 1ytnA1 ARG 205 HB3 0.01 0.08 0.29 -0.04 1.80 2.14 1ytnA1 ARG 205 HG2 0.00 -0.08 -0.01 -0.04 1.67 1.54 1ytnA1 ARG 205 HG3 0.00 -0.07 -0.22 -0.04 1.67 1.35 1ytnA1 ARG 205 HD2 -0.00 -0.16 -0.14 -0.04 3.22 2.87 1ytnA1 ARG 205 HD3 0.01 0.64 0.07 -0.04 3.22 3.90 1ytnA1 ASN 206 H 0.01 0.54 -0.09 -0.55 8.53 8.45 1ytnA1 ASN 206 HA 0.01 -0.04 0.29 -0.75 4.76 4.27 1ytnA1 ASN 206 HB2 0.01 0.11 0.12 -0.04 2.88 3.08 1ytnA1 ASN 206 HB3 0.01 -0.05 0.04 -0.04 2.79 2.74 1ytnA1 ASN 206 HD21 0.00 -0.06 -0.05 -0.04 7.03 6.88 1ytnA1 ASN 206 HD22 0.01 -0.01 -0.03 -0.04 7.74 7.67 1ytnA1 THR 207 H 0.02 0.52 -0.17 -0.55 8.28 8.10 1ytnA1 THR 207 HA 0.02 -0.03 0.44 -0.75 4.39 4.06 1ytnA1 THR 207 HB 0.02 0.14 0.24 -0.04 4.32 4.68 1ytnA1 THR 207 HG23 0.02 -0.03 -0.11 -0.04 1.22 1.06 1ytnA1 LEU 208 H 0.04 0.51 -0.17 -0.55 8.37 8.20 1ytnA1 LEU 208 HA 0.11 0.12 0.74 -0.75 4.35 4.56 1ytnA1 LEU 208 HB2 0.08 -0.03 0.10 -0.04 1.64 1.74 1ytnA1 LEU 208 HB3 0.17 -0.09 0.12 -0.04 1.64 1.79 1ytnA1 LEU 208 HG 0.04 0.10 -0.01 -0.04 1.64 1.73 1ytnA1 LEU 208 HD13 0.04 0.03 -0.22 -0.04 0.93 0.74 1ytnA1 LEU 208 HD23 0.03 -0.00 -0.04 -0.04 0.89 0.84 1ytnA1 ALA 209 H 0.04 0.33 -0.25 -0.55 8.40 7.97 1ytnA1 ALA 209 HA -0.03 -0.05 0.41 -0.75 4.34 3.92 1ytnA1 ALA 209 HB3 0.00 0.00 0.06 -0.04 1.41 1.43 1ytnA1 PRO 210 HA 0.05 0.07 0.77 -0.51 4.44 4.82 1ytnA1 PRO 210 HB2 -0.16 0.08 0.05 -0.04 2.28 2.21 1ytnA1 PRO 210 HB3 -0.72 0.00 0.09 -0.04 2.02 1.35 1ytnA1 PRO 210 HG2 -0.14 -0.03 0.16 -0.04 2.03 1.97 1ytnA1 PRO 210 HG3 -0.32 0.01 0.10 -0.04 2.03 1.77 1ytnA1 PRO 210 HD2 -0.13 0.02 0.28 -0.04 3.68 3.81 1ytnA1 PRO 210 HD3 -0.33 0.12 0.23 -0.04 3.65 3.62 1ytnA1 ALA 211 H 0.07 0.09 0.21 -0.55 8.40 8.23 1ytnA1 ALA 211 HA 0.01 0.12 0.66 -0.75 4.34 4.38 1ytnA1 ALA 211 HB3 0.03 0.00 0.11 -0.04 1.41 1.51 1ytnA1 THR 212 H 0.01 0.11 0.13 -0.55 8.28 7.98 1ytnA1 THR 212 HA 0.01 0.07 0.50 -0.75 4.39 4.20 1ytnA1 THR 212 HB 0.01 0.02 0.09 -0.04 4.32 4.39 1ytnA1 THR 212 HG23 0.00 0.01 0.03 -0.04 1.22 1.22 1ytnA1 ASN 213 H 0.01 0.13 0.18 -0.55 8.53 8.30 1ytnA1 ASN 213 HA 0.02 0.04 0.31 -0.75 4.76 4.39 1ytnA1 ASN 213 HB2 0.01 -0.10 -0.49 -0.04 2.88 2.25 1ytnA1 ASN 213 HB3 0.02 0.05 0.10 -0.04 2.79 2.91 1ytnA1 ASN 213 HD21 0.01 -0.03 0.02 -0.04 7.03 6.99 1ytnA1 ASN 213 HD22 0.01 0.05 0.06 -0.04 7.74 7.83 1ytnA1 ASP 214 H 0.06 0.25 -0.58 -0.55 8.40 7.58 1ytnA1 ASP 214 HA 0.06 0.07 0.30 -0.75 4.63 4.31 1ytnA1 ASP 214 HB2 0.12 0.08 0.11 -0.04 2.71 2.98 1ytnA1 ASP 214 HB3 0.26 -0.02 0.07 -0.04 2.70 2.97 1ytnA1 PRO 215 HA 0.01 0.20 0.61 -0.51 4.44 4.75 1ytnA1 PRO 215 HB2 -0.01 0.01 0.06 -0.04 2.28 2.29 1ytnA1 PRO 215 HB3 0.00 0.04 0.14 -0.04 2.02 2.17 1ytnA1 PRO 215 HG2 -0.01 0.01 0.05 -0.04 2.03 2.04 1ytnA1 PRO 215 HG3 0.00 0.02 0.09 -0.04 2.03 2.10 1ytnA1 PRO 215 HD2 0.03 0.04 0.24 -0.04 3.68 3.95 1ytnA1 PRO 215 HD3 0.02 0.19 0.21 -0.04 3.65 4.03 1ytnA1 ARG 216 H -0.03 0.08 -0.20 -0.55 8.46 7.77 1ytnA1 ARG 216 HA -0.17 0.07 0.54 -0.75 4.34 4.03 1ytnA1 ARG 216 HB2 -0.29 0.01 0.00 -0.04 1.90 1.57 1ytnA1 ARG 216 HB3 -0.58 0.03 0.06 -0.04 1.80 1.26 1ytnA1 ARG 216 HG2 -0.13 0.00 0.05 -0.04 1.67 1.55 1ytnA1 ARG 216 HG3 -0.07 -0.06 0.04 -0.04 1.67 1.53 1ytnA1 ARG 216 HD2 -0.10 0.04 0.02 -0.04 3.22 3.14 1ytnA1 ARG 216 HD3 -0.03 -0.02 0.02 -0.04 3.22 3.15 1ytnA1 TYR 217 H 0.06 0.28 -0.49 -0.55 8.29 7.59 1ytnA1 TYR 217 HA -0.01 0.21 1.18 -0.75 4.56 5.19 1ytnA1 TYR 217 HB2 -0.00 -0.02 -0.04 -0.04 3.06 2.96 1ytnA1 TYR 217 HB3 -0.01 -0.00 -0.03 -0.04 2.98 2.90 1ytnA1 TYR 217 HD2 -0.00 -0.09 -0.40 -0.04 7.15 6.61 1ytnA1 TYR 217 HE2 0.00 0.13 -0.13 -0.04 6.85 6.82 1ytnA1 LEU 218 H 0.12 0.89 0.27 -0.55 8.37 9.09 1ytnA1 LEU 218 HA 0.03 0.01 0.54 -0.75 4.35 4.17 1ytnA1 LEU 218 HB2 0.02 0.05 0.07 -0.04 1.64 1.73 1ytnA1 LEU 218 HB3 0.04 -0.06 0.15 -0.04 1.64 1.72 1ytnA1 LEU 218 HG 0.00 -0.02 -0.13 -0.04 1.64 1.46 1ytnA1 LEU 218 HD13 0.00 -0.01 0.11 -0.04 0.93 0.99 1ytnA1 LEU 218 HD23 -0.01 -0.01 0.05 -0.04 0.89 0.88 1ytnA1 GLN 219 H 0.02 0.15 0.22 -0.55 8.47 8.31 1ytnA1 GLN 219 HA 0.02 0.12 0.93 -0.75 4.36 4.68 1ytnA1 GLN 219 HB2 0.01 -0.03 0.04 -0.04 2.15 2.13 1ytnA1 GLN 219 HB3 0.01 -0.04 0.07 -0.04 2.02 2.02 1ytnA1 GLN 219 HG2 0.03 0.20 -0.04 -0.04 2.40 2.55 1ytnA1 GLN 219 HG3 0.02 -0.03 -0.02 -0.04 2.39 2.32 1ytnA1 GLN 219 HE21 0.07 -0.22 -0.07 -0.04 6.97 6.72 1ytnA1 GLN 219 HE22 0.08 0.58 -0.11 -0.04 7.69 8.19 1ytnA1 ALA 220 H -0.00 0.09 0.13 -0.55 8.40 8.07 1ytnA1 ALA 220 HA -0.01 0.08 0.44 -0.75 4.34 4.09 1ytnA1 ALA 220 HB3 -0.01 0.04 0.10 -0.04 1.41 1.49 1ytnA1 CYS 221 H -0.01 0.17 0.20 -0.55 8.50 8.31 1ytnA1 CYS 221 HA -0.00 0.17 0.83 -0.75 4.58 4.83 1ytnA1 CYS 221 HB2 -0.01 0.12 0.11 -0.04 2.97 3.15 1ytnA1 CYS 221 HB3 -0.01 -0.02 0.07 -0.04 2.97 2.98 1ytnA1 GLY 222 H -0.00 0.19 0.14 -0.55 8.43 8.21 1ytnA1 GLY 222 HA2 -0.00 0.05 0.36 -0.51 4.01 3.90 1ytnA1 GLY 222 HA3 -0.00 0.06 0.23 -0.51 4.01 3.78 1ytnA1 GLY 223 H -0.01 0.24 -0.67 -0.55 8.43 7.44 1ytnA1 GLY 223 HA2 -0.01 -0.00 0.24 -0.51 4.01 3.73 1ytnA1 GLY 223 HA3 -0.00 0.15 0.76 -0.51 4.01 4.40 1ytnA1 GLU 224 H -0.01 0.16 -0.16 -0.55 8.60 8.05 1ytnA1 GLU 224 HA -0.01 0.01 0.42 -0.75 4.29 3.95 1ytnA1 GLU 224 HB2 -0.01 -0.01 0.06 -0.04 2.09 2.10 1ytnA1 GLU 224 HB3 -0.02 0.04 -0.05 -0.04 1.99 1.92 1ytnA1 GLU 224 HG2 -0.02 0.08 -0.05 -0.04 2.34 2.31 1ytnA1 GLU 224 HG3 -0.01 -0.05 0.06 -0.04 2.34 2.30 1ytnA1 LYS 225 H -0.02 0.07 0.10 -0.55 8.42 8.02 1ytnA1 LYS 225 HA -0.03 0.11 0.59 -0.75 4.32 4.24 1ytnA1 LYS 225 HB2 -0.02 0.02 0.06 -0.04 1.87 1.89 1ytnA1 LYS 225 HB3 -0.04 -0.04 0.04 -0.04 1.79 1.71 1ytnA1 LYS 225 HG2 -0.05 0.02 -0.25 -0.04 1.46 1.13 1ytnA1 LYS 225 HG3 -0.03 -0.01 -0.00 -0.04 1.46 1.37 1ytnA1 LYS 225 HD2 -0.02 -0.03 -0.01 -0.04 1.69 1.58 1ytnA1 LYS 225 HD3 -0.05 -0.03 -0.09 -0.04 1.68 1.47 1ytnA1 LYS 225 HE2 -0.05 0.26 -0.02 -0.04 2.99 3.14 1ytnA1 LYS 225 HE3 -0.02 -0.06 -0.01 -0.04 2.99 2.86 1ytnA1 LEU 226 H -0.03 0.07 0.11 -0.55 8.37 7.97 1ytnA1 LEU 226 HA -0.05 0.23 0.82 -0.75 4.35 4.60 1ytnA1 LEU 226 HB2 -0.03 0.00 -0.07 -0.04 1.64 1.50 1ytnA1 LEU 226 HB3 -0.03 -0.07 0.06 -0.04 1.64 1.55 1ytnA1 LEU 226 HG -0.04 -0.03 -0.43 -0.04 1.64 1.10 1ytnA1 LEU 226 HD13 -0.04 0.06 -0.34 -0.04 0.93 0.58 1ytnA1 LEU 226 HD23 -0.01 0.04 -0.35 -0.04 0.89 0.53 1ytnA1 ASN 227 H -0.05 0.02 0.03 -0.55 8.53 7.99 1ytnA1 ASN 227 HA -0.10 0.14 0.69 -0.75 4.76 4.73 1ytnA1 ASN 227 HB2 -0.05 -0.06 -0.06 -0.04 2.88 2.68 1ytnA1 ASN 227 HB3 -0.06 0.07 -0.29 -0.04 2.79 2.47 1ytnA1 ASN 227 HD21 -0.03 0.06 -0.03 -0.04 7.03 6.98 1ytnA1 ASN 227 HD22 -0.04 0.07 -0.07 -0.04 7.74 7.66 1ytnA1 ARG 228 H -0.22 0.21 0.14 -0.55 8.46 8.04 1ytnA1 ARG 228 HA -0.29 0.08 0.36 -0.75 4.34 3.73 1ytnA1 ARG 228 HB2 -0.33 0.11 0.14 -0.04 1.90 1.77 1ytnA1 ARG 228 HB3 -0.64 -0.06 0.15 -0.04 1.80 1.21 1ytnA1 ARG 228 HG2 -1.52 -0.12 -0.08 -0.04 1.67 -0.09 1ytnA1 ARG 228 HG3 -0.60 0.03 0.06 -0.04 1.67 1.11 1ytnA1 ARG 228 HD2 -0.22 0.16 0.06 -0.04 3.22 3.18 1ytnA1 ARG 228 HD3 -0.23 -0.10 0.03 -0.04 3.22 2.88 1ytnA1 PHE 229 H -0.24 0.18 -0.19 -0.55 8.34 7.53 1ytnA1 PHE 229 HA -0.04 0.23 0.89 -0.75 4.62 4.94 1ytnA1 PHE 229 HB2 -0.05 -0.06 0.11 -0.04 3.15 3.11 1ytnA1 PHE 229 HB3 -0.05 -0.01 -0.01 -0.04 3.06 2.95 1ytnA1 PHE 229 HD2 -0.06 0.04 0.01 -0.04 7.28 7.24 1ytnA1 PHE 229 HE2 -0.09 -0.06 -0.06 -0.04 7.38 7.13 1ytnA1 PHE 229 HZ -0.16 -0.03 -0.06 -0.04 7.32 7.04 1ytnA1 ARG 230 H 0.08 0.22 0.04 -0.55 8.46 8.24 1ytnA1 ARG 230 HA -0.00 0.05 0.26 -0.75 4.34 3.90 1ytnA1 ARG 230 HB2 0.03 -0.07 0.11 -0.04 1.90 1.93 1ytnA1 ARG 230 HB3 0.00 0.07 -0.08 -0.04 1.80 1.75 1ytnA1 ARG 230 HG2 -0.00 0.02 0.05 -0.04 1.67 1.70 1ytnA1 ARG 230 HG3 0.01 0.02 0.07 -0.04 1.67 1.73 1ytnA1 ARG 230 HD2 0.00 0.02 -0.01 -0.04 3.22 3.19 1ytnA1 ARG 230 HD3 0.00 0.01 0.02 -0.04 3.22 3.21 1ytnA1 ASP 231 H 0.05 -0.07 -0.54 -0.55 8.40 7.29 1ytnA1 ASP 231 HA -0.05 0.28 0.88 -0.75 4.63 4.98 1ytnA1 ASP 231 HB2 -0.01 -0.07 0.01 -0.04 2.71 2.59 1ytnA1 ASP 231 HB3 -0.04 0.03 0.09 -0.04 2.70 2.73 1ytnA1 ILE 232 H 0.05 0.61 0.01 -0.55 8.25 8.37 1ytnA1 ILE 232 HA -0.02 0.06 0.68 -0.75 4.18 4.15 1ytnA1 ILE 232 HB 0.08 -0.06 0.22 -0.04 1.89 2.09 1ytnA1 ILE 232 HG12 0.15 -0.06 -0.05 -0.04 1.49 1.48 1ytnA1 ILE 232 HG13 0.23 -0.12 -0.00 -0.04 1.21 1.27 1ytnA1 ILE 232 HG23 0.03 0.02 -0.10 -0.04 0.93 0.84 1ytnA1 ILE 232 HD13 0.01 0.03 -0.12 -0.04 0.88 0.76 1ytnA1 GLN 233 H -0.15 0.18 0.03 -0.55 8.47 7.98 1ytnA1 GLN 233 HA -0.06 0.15 0.71 -0.75 4.36 4.41 1ytnA1 GLN 233 HB2 -0.78 0.04 -0.02 -0.04 2.15 1.36 1ytnA1 GLN 233 HB3 -0.19 -0.01 0.06 -0.04 2.02 1.84 1ytnA1 GLN 233 HG2 -0.15 -0.14 -0.53 -0.04 2.40 1.53 1ytnA1 GLN 233 HG3 -0.36 0.08 -0.03 -0.04 2.39 2.04 1ytnA1 GLN 233 HE21 -0.06 -0.14 0.04 -0.04 6.97 6.78 1ytnA1 GLN 233 HE22 -0.08 0.54 0.17 -0.04 7.69 8.28 1ytnA1 CYS 234 H 0.10 0.18 0.13 -0.55 8.50 8.36 1ytnA1 CYS 234 HA 0.10 0.29 0.94 -0.75 4.58 5.16 1ytnA1 CYS 234 HB2 0.01 -0.09 -0.04 -0.04 2.97 2.81 1ytnA1 CYS 234 HB3 0.05 -0.06 0.15 -0.04 2.97 3.07 1ytnA1 ARG 235 H 0.11 0.39 0.14 -0.55 8.46 8.54 1ytnA1 ARG 235 HA -0.24 0.23 0.46 -0.75 4.34 4.04 1ytnA1 ARG 235 HB2 -0.01 0.08 -0.14 -0.04 1.90 1.79 1ytnA1 ARG 235 HB3 -0.01 -0.07 0.01 -0.04 1.80 1.69 1ytnA1 ARG 235 HG2 -0.06 0.06 0.04 -0.04 1.67 1.67 1ytnA1 ARG 235 HG3 -0.12 -0.23 0.03 -0.04 1.67 1.32 1ytnA1 ARG 235 HD2 -0.47 0.05 0.06 -0.04 3.22 2.82 1ytnA1 ARG 235 HD3 -0.13 0.10 -0.06 -0.04 3.22 3.09 1ytnA1 ARG 236 H -0.12 0.58 0.20 -0.55 8.46 8.57 1ytnA1 ARG 236 HA -0.01 0.04 0.38 -0.75 4.34 4.00 1ytnA1 ARG 236 HB2 -0.02 0.03 -0.27 -0.04 1.90 1.60 1ytnA1 ARG 236 HB3 -0.05 0.02 0.05 -0.04 1.80 1.78 1ytnA1 ARG 236 HG2 -0.01 -0.01 -0.03 -0.04 1.67 1.58 1ytnA1 ARG 236 HG3 -0.01 -0.01 -0.08 -0.04 1.67 1.52 1ytnA1 ARG 236 HD2 -0.00 0.03 0.11 -0.04 3.22 3.31 1ytnA1 ARG 236 HD3 -0.00 -0.03 0.07 -0.04 3.22 3.22 1ytnA1 GLN 237 H -0.05 0.11 -0.08 -0.55 8.47 7.90 1ytnA1 GLN 237 HA -0.00 0.09 0.13 -0.75 4.36 3.82 1ytnA1 GLN 237 HB2 -0.01 0.02 0.03 -0.04 2.15 2.15 1ytnA1 GLN 237 HB3 -0.03 -0.04 0.09 -0.04 2.02 2.00 1ytnA1 GLN 237 HG2 -0.04 -0.07 0.02 -0.04 2.40 2.27 1ytnA1 GLN 237 HG3 -0.02 0.05 -0.10 -0.04 2.39 2.28 1ytnA1 GLN 237 HE21 -0.07 -0.02 0.05 -0.04 6.97 6.88 1ytnA1 GLN 237 HE22 -0.09 -0.05 0.11 -0.04 7.69 7.62 1ytnA1 THR 238 H 0.01 0.14 -0.26 -0.55 8.28 7.62 1ytnA1 THR 238 HA 0.12 0.16 0.85 -0.75 4.39 4.77 1ytnA1 THR 238 HB 0.10 0.09 0.33 -0.04 4.32 4.80 1ytnA1 THR 238 HG23 0.04 -0.05 -0.01 -0.04 1.22 1.16 1ytnA1 ALA 239 H 0.01 0.31 -0.21 -0.55 8.40 7.96 1ytnA1 ALA 239 HA -0.05 0.15 0.45 -0.75 4.34 4.13 1ytnA1 ALA 239 HB3 -0.01 0.03 0.13 -0.04 1.41 1.51 1ytnA1 VAL 240 H -0.17 0.21 0.21 -0.55 8.24 7.94 1ytnA1 VAL 240 HA -0.40 0.17 0.59 -0.75 4.13 3.74 1ytnA1 VAL 240 HB -0.24 -0.16 0.02 -0.04 2.12 1.69 1ytnA1 VAL 240 HG13 -0.26 -0.01 -0.20 -0.04 0.97 0.46 1ytnA1 VAL 240 HG23 -0.81 0.02 -0.19 -0.04 0.95 -0.07 1ytnA1 ARG 241 H -0.10 0.08 0.12 -0.55 8.46 8.00 1ytnA1 ARG 241 HA -0.03 0.26 0.72 -0.75 4.34 4.54 1ytnA1 ARG 241 HB2 -0.07 -0.05 -0.03 -0.04 1.90 1.71 1ytnA1 ARG 241 HB3 -0.04 -0.18 0.09 -0.04 1.80 1.63 1ytnA1 ARG 241 HG2 -0.04 0.11 0.03 -0.04 1.67 1.73 1ytnA1 ARG 241 HG3 -0.08 0.03 -0.27 -0.04 1.67 1.31 1ytnA1 ARG 241 HD2 -0.05 0.06 -0.08 -0.04 3.22 3.11 1ytnA1 ARG 241 HD3 -0.07 -0.02 -0.12 -0.04 3.22 2.98 1ytnA1 ALA 242 H -0.02 0.14 0.11 -0.55 8.40 8.08 1ytnA1 ALA 242 HA -0.02 0.22 0.56 -0.75 4.34 4.35 1ytnA1 ALA 242 HB3 -0.01 0.01 0.08 -0.04 1.41 1.45 1ytnA1 ASP 243 H -0.03 -0.01 -0.19 -0.55 8.40 7.62 1ytnA1 ASP 243 HA -0.03 0.30 0.99 -0.75 4.63 5.13 1ytnA1 ASP 243 HB2 -0.03 0.02 0.15 -0.04 2.71 2.81 1ytnA1 ASP 243 HB3 -0.02 0.01 -0.11 -0.04 2.70 2.54 1ytnA1 LEU 244 H -0.05 0.31 -0.18 -0.55 8.37 7.90 1ytnA1 LEU 244 HA -0.08 0.21 0.82 -0.75 4.35 4.56 1ytnA1 LEU 244 HB2 -0.08 -0.03 -0.15 -0.04 1.64 1.34 1ytnA1 LEU 244 HB3 -0.08 0.02 -0.07 -0.04 1.64 1.47 1ytnA1 LEU 244 HG -0.07 -0.12 -0.26 -0.04 1.64 1.16 1ytnA1 LEU 244 HD13 -0.09 0.02 -0.14 -0.04 0.93 0.68 1ytnA1 LEU 244 HD23 -0.07 0.01 -0.12 -0.04 0.89 0.68 1ytnA1 ASN 245 H -0.09 0.19 0.01 -0.55 8.53 8.09 1ytnA1 ASN 245 HA -0.05 0.18 0.67 -0.75 4.76 4.80 1ytnA1 ASN 245 HB2 -0.08 0.09 -0.04 -0.04 2.88 2.82 1ytnA1 ASN 245 HB3 -0.10 -0.09 0.22 -0.04 2.79 2.79 1ytnA1 ASN 245 HD21 -0.04 0.27 -0.04 -0.04 7.03 7.18 1ytnA1 ASN 245 HD22 -0.06 -0.08 -0.09 -0.04 7.74 7.48 1ytnA1 ALA 246 H -0.06 0.38 0.01 -0.55 8.40 8.18 1ytnA1 ALA 246 HA -0.07 0.21 0.85 -0.75 4.34 4.57 1ytnA1 ALA 246 HB3 -0.11 -0.01 -0.13 -0.04 1.41 1.11 1ytnA1 ASN 247 H -0.07 0.68 0.33 -0.55 8.53 8.92 1ytnA1 ASN 247 HA -0.12 0.24 1.04 -0.75 4.76 5.17 1ytnA1 ASN 247 HB2 -0.01 -0.14 0.05 -0.04 2.88 2.74 1ytnA1 ASN 247 HB3 0.01 0.34 0.00 -0.04 2.79 3.10 1ytnA1 ASN 247 HD21 0.01 -0.09 -0.12 -0.04 7.03 6.79 1ytnA1 ASN 247 HD22 -0.00 0.04 -0.19 -0.04 7.74 7.54 1ytnA1 TYR 248 H -0.01 0.64 0.27 -0.55 8.29 8.63 1ytnA1 TYR 248 HA -0.01 0.08 0.66 -0.75 4.56 4.54 1ytnA1 TYR 248 HB2 -0.01 0.03 0.25 -0.04 3.06 3.29 1ytnA1 TYR 248 HB3 -0.01 0.01 0.02 -0.04 2.98 2.96 1ytnA1 TYR 248 HD2 -0.02 0.10 0.02 -0.04 7.15 7.21 1ytnA1 TYR 248 HE2 -0.02 0.10 0.04 -0.04 6.85 6.93 1ytnA1 ILE 249 H 0.11 0.49 0.35 -0.55 8.25 8.64 1ytnA1 ILE 249 HA 0.06 0.20 0.86 -0.75 4.18 4.54 1ytnA1 ILE 249 HB 0.04 -0.08 -0.05 -0.04 1.89 1.77 1ytnA1 ILE 249 HG12 0.03 0.11 -0.20 -0.04 1.49 1.39 1ytnA1 ILE 249 HG13 0.03 0.08 -0.54 -0.04 1.21 0.74 1ytnA1 ILE 249 HG23 0.03 -0.02 -0.22 -0.04 0.93 0.68 1ytnA1 ILE 249 HD13 0.02 -0.06 -0.08 -0.04 0.88 0.72 1ytnA1 GLN 250 H 0.03 0.22 0.03 -0.55 8.47 8.20 1ytnA1 GLN 250 HA 0.02 0.41 0.68 -0.75 4.36 4.72 1ytnA1 GLN 250 HB2 0.01 0.05 -0.23 -0.04 2.15 1.94 1ytnA1 GLN 250 HB3 0.01 -0.07 -0.01 -0.04 2.02 1.91 1ytnA1 GLN 250 HG2 0.01 -0.01 -0.62 -0.04 2.40 1.74 1ytnA1 GLN 250 HG3 0.01 0.03 -0.45 -0.04 2.39 1.94 1ytnA1 GLN 250 HE21 -0.01 -0.14 -0.05 -0.04 6.97 6.74 1ytnA1 GLN 250 HE22 0.00 0.67 -0.05 -0.04 7.69 8.27 1ytnA1 VAL 251 H 0.02 0.60 0.09 -0.55 8.24 8.40 1ytnA1 VAL 251 HA 0.02 0.14 0.86 -0.75 4.13 4.39 1ytnA1 VAL 251 HB 0.02 -0.02 0.10 -0.04 2.12 2.17 1ytnA1 VAL 251 HG13 0.02 -0.00 -0.01 -0.04 0.97 0.94 1ytnA1 VAL 251 HG23 0.02 0.01 -0.17 -0.04 0.95 0.77 1ytnA1 GLY 252 H 0.01 0.16 0.03 -0.55 8.43 8.08 1ytnA1 GLY 252 HA2 0.01 0.05 0.31 -0.51 4.01 3.87 1ytnA1 GLY 252 HA3 0.01 0.03 0.52 -0.51 4.01 4.07 1ytnA1 ASN 253 H 0.01 0.12 0.23 -0.55 8.53 8.34 1ytnA1 ASN 253 HA 0.00 0.20 0.58 -0.75 4.76 4.79 1ytnA1 ASN 253 HB2 0.01 -0.07 0.01 -0.04 2.88 2.79 1ytnA1 ASN 253 HB3 0.00 0.03 0.09 -0.04 2.79 2.87 1ytnA1 ASN 253 HD21 0.00 -0.00 -0.11 -0.04 7.03 6.88 1ytnA1 ASN 253 HD22 0.00 0.09 -0.12 -0.04 7.74 7.67 1ytnA1 THR 254 H 0.01 0.37 0.02 -0.55 8.28 8.13 1ytnA1 THR 254 HA 0.01 0.10 0.50 -0.75 4.39 4.24 1ytnA1 THR 254 HB 0.02 0.07 0.21 -0.04 4.32 4.57 1ytnA1 THR 254 HG23 0.02 -0.01 -0.22 -0.04 1.22 0.97 1ytnA1 ARG 255 H 0.02 0.21 0.27 -0.55 8.46 8.40 1ytnA1 ARG 255 HA 0.03 0.29 1.07 -0.75 4.34 4.97 1ytnA1 ARG 255 HB2 0.02 0.05 -0.06 -0.04 1.90 1.87 1ytnA1 ARG 255 HB3 0.01 0.05 0.08 -0.04 1.80 1.91 1ytnA1 ARG 255 HG2 0.01 -0.06 0.19 -0.04 1.67 1.77 1ytnA1 ARG 255 HG3 -0.01 0.07 0.07 -0.04 1.67 1.76 1ytnA1 ARG 255 HD2 -0.01 0.01 -0.07 -0.04 3.22 3.11 1ytnA1 ARG 255 HD3 -0.00 0.01 -0.23 -0.04 3.22 2.96 1ytnA1 THR 256 H 0.05 0.55 0.34 -0.55 8.28 8.68 1ytnA1 THR 256 HA 0.04 0.20 0.86 -0.75 4.39 4.73 1ytnA1 THR 256 HB 0.03 0.12 0.14 -0.04 4.32 4.56 1ytnA1 THR 256 HG23 0.03 -0.02 -0.30 -0.04 1.22 0.89 1ytnA1 ILE 257 H 0.02 0.49 0.29 -0.55 8.25 8.51 1ytnA1 ILE 257 HA 0.01 0.27 0.93 -0.75 4.18 4.64 1ytnA1 ILE 257 HB -0.02 -0.04 0.04 -0.04 1.89 1.83 1ytnA1 ILE 257 HG12 -0.20 0.01 -0.13 -0.04 1.49 1.12 1ytnA1 ILE 257 HG13 0.09 0.08 -0.30 -0.04 1.21 1.05 1ytnA1 ILE 257 HG23 -0.11 -0.04 -0.41 -0.04 0.93 0.33 1ytnA1 ILE 257 HD13 -0.04 0.01 -0.14 -0.04 0.88 0.67 1ytnA1 ALA 258 H -0.01 0.52 0.30 -0.55 8.40 8.66 1ytnA1 ALA 258 HA 0.01 0.19 0.89 -0.75 4.34 4.68 1ytnA1 ALA 258 HB3 0.01 -0.00 0.07 -0.04 1.41 1.44 1ytnA1 CYS 259 H 0.03 0.38 0.40 -0.55 8.50 8.76 1ytnA1 CYS 259 HA -0.04 0.18 0.47 -0.75 4.58 4.43 1ytnA1 CYS 259 HB2 -0.09 0.05 0.27 -0.04 2.97 3.15 1ytnA1 CYS 259 HB3 -0.06 0.01 0.04 -0.04 2.97 2.91 1ytnA1 GLN 260 H -0.12 0.43 0.20 -0.55 8.47 8.44 1ytnA1 GLN 260 HA -0.05 -0.08 0.38 -0.75 4.36 3.86 1ytnA1 GLN 260 HB2 -0.14 -0.03 0.13 -0.04 2.15 2.07 1ytnA1 GLN 260 HB3 -0.10 0.06 0.08 -0.04 2.02 2.02 1ytnA1 GLN 260 HG2 -0.16 -0.03 -0.02 -0.04 2.40 2.15 1ytnA1 GLN 260 HG3 -0.18 0.33 -0.65 -0.04 2.39 1.85 1ytnA1 GLN 260 HE21 -0.13 0.30 0.12 -0.04 6.97 7.22 1ytnA1 GLN 260 HE22 -0.15 -0.10 0.03 -0.04 7.69 7.43 1ytnA1 TYR 261 H 0.01 0.39 0.11 -0.55 8.29 8.25 1ytnA1 TYR 261 HA -0.60 0.04 0.32 -0.75 4.56 3.56 1ytnA1 TYR 261 HB2 0.00 0.07 0.31 -0.04 3.06 3.40 1ytnA1 TYR 261 HB3 -0.09 -0.01 0.13 -0.04 2.98 2.97 1ytnA1 TYR 261 HD2 0.06 0.16 -0.04 -0.04 7.15 7.30 1ytnA1 TYR 261 HE2 0.24 0.04 -0.05 -0.04 6.85 7.03 1ytnA1 PRO 262 HA -0.26 0.01 0.61 -0.51 4.44 4.30 1ytnA1 PRO 262 HB2 -0.41 0.07 -0.07 -0.04 2.28 1.83 1ytnA1 PRO 262 HB3 -0.58 0.00 0.07 -0.04 2.02 1.48 1ytnA1 PRO 262 HG2 -0.78 -0.00 0.02 -0.04 2.03 1.23 1ytnA1 PRO 262 HG3 -1.75 -0.01 0.02 -0.04 2.03 0.25 1ytnA1 PRO 262 HD2 -0.91 0.01 0.17 -0.04 3.68 2.91 1ytnA1 PRO 262 HD3 -1.29 0.17 0.16 -0.04 3.65 2.65 1ytnA1 LEU 263 H -0.14 0.08 0.19 -0.55 8.37 7.95 1ytnA1 LEU 263 HA -0.06 0.27 0.63 -0.75 4.35 4.43 1ytnA1 LEU 263 HB2 -0.08 -0.09 0.03 -0.04 1.64 1.46 1ytnA1 LEU 263 HB3 -0.06 -0.04 0.13 -0.04 1.64 1.64 1ytnA1 LEU 263 HG -0.12 0.02 0.04 -0.04 1.64 1.53 1ytnA1 LEU 263 HD13 -0.09 0.02 -0.28 -0.04 0.93 0.55 1ytnA1 LEU 263 HD23 -0.13 0.02 0.02 -0.04 0.89 0.77 1ytnA1 GLN 264 H -0.02 0.25 0.14 -0.55 8.47 8.29 1ytnA1 GLN 264 HA 0.01 0.08 0.38 -0.75 4.36 4.07 1ytnA1 GLN 264 HB2 0.03 0.05 0.10 -0.04 2.15 2.30 1ytnA1 GLN 264 HB3 0.00 0.02 0.20 -0.04 2.02 2.20 1ytnA1 GLN 264 HG2 0.04 -0.02 -0.17 -0.04 2.40 2.22 1ytnA1 GLN 264 HG3 0.04 0.02 0.01 -0.04 2.39 2.42 1ytnA1 GLN 264 HE21 0.01 0.02 0.02 -0.04 6.97 6.98 1ytnA1 GLN 264 HE22 0.02 0.02 0.02 -0.04 7.69 7.70 1ytnA1 SER 265 H -0.02 0.11 -0.15 -0.55 8.46 7.86 1ytnA1 SER 265 HA 0.01 0.07 0.20 -0.75 4.49 4.02 1ytnA1 SER 265 HB2 -0.01 0.03 0.10 -0.04 3.95 4.03 1ytnA1 SER 265 HB3 -0.01 -0.00 0.09 -0.04 3.93 3.97 1ytnA1 GLN 266 H -0.08 0.45 -0.58 -0.55 8.47 7.72 1ytnA1 GLN 266 HA -0.06 0.17 0.81 -0.75 4.36 4.52 1ytnA1 GLN 266 HB2 -0.14 0.09 0.15 -0.04 2.15 2.20 1ytnA1 GLN 266 HB3 -0.13 -0.07 0.20 -0.04 2.02 1.98 1ytnA1 GLN 266 HG2 -0.07 0.24 0.15 -0.04 2.40 2.68 1ytnA1 GLN 266 HG3 -0.07 -0.06 -0.07 -0.04 2.39 2.14 1ytnA1 GLN 266 HE21 -0.09 0.32 0.10 -0.04 6.97 7.25 1ytnA1 GLN 266 HE22 -0.07 0.07 0.08 -0.04 7.69 7.73 1ytnA1 LEU 267 H -0.08 0.46 -0.11 -0.55 8.37 8.10 1ytnA1 LEU 267 HA -0.34 0.05 0.31 -0.75 4.35 3.62 1ytnA1 LEU 267 HB2 -0.06 0.04 0.12 -0.04 1.64 1.69 1ytnA1 LEU 267 HB3 -0.41 -0.01 -0.02 -0.04 1.64 1.16 1ytnA1 LEU 267 HG -0.13 0.17 0.06 -0.04 1.64 1.69 1ytnA1 LEU 267 HD13 0.01 -0.01 -0.04 -0.04 0.93 0.85 1ytnA1 LEU 267 HD23 -0.56 -0.01 -0.10 -0.04 0.89 0.19 1ytnA1 GLU 268 H 0.04 0.19 -0.09 -0.55 8.60 8.18 1ytnA1 GLU 268 HA 0.16 0.09 0.36 -0.75 4.29 4.14 1ytnA1 GLU 268 HB2 0.11 -0.02 0.03 -0.04 2.09 2.17 1ytnA1 GLU 268 HB3 0.05 0.04 -0.05 -0.04 1.99 1.98 1ytnA1 GLU 268 HG2 0.07 0.00 0.03 -0.04 2.34 2.40 1ytnA1 GLU 268 HG3 0.13 0.18 0.11 -0.04 2.34 2.73 1ytnA1 SER 269 H -0.03 0.22 -0.45 -0.55 8.46 7.65 1ytnA1 SER 269 HA -0.01 0.09 0.59 -0.75 4.49 4.40 1ytnA1 SER 269 HB2 -0.06 0.15 -0.01 -0.04 3.95 3.99 1ytnA1 SER 269 HB3 -0.04 -0.05 -0.07 -0.04 3.93 3.72 1ytnA1 HIS 270 H -0.09 0.51 0.07 -0.55 8.41 8.36 1ytnA1 HIS 270 HA -0.24 0.02 0.44 -0.75 4.63 4.09 1ytnA1 HIS 270 HB2 -0.40 0.05 0.09 -0.04 3.26 2.97 1ytnA1 HIS 270 HB3 -0.68 0.02 0.15 -0.04 3.20 2.65 1ytnA1 HIS 270 HD2 -1.03 -0.01 -0.17 -0.04 6.97 5.71 1ytnA1 HIS 270 HE1 -0.29 0.01 -0.10 -0.04 7.75 7.34 1ytnA1 PHE 271 H -0.28 0.70 -0.07 -0.55 8.34 8.14 1ytnA1 PHE 271 HA -0.10 0.02 0.29 -0.75 4.62 4.08 1ytnA1 PHE 271 HB2 -0.06 0.06 0.03 -0.04 3.15 3.13 1ytnA1 PHE 271 HB3 -0.02 -0.01 -0.09 -0.04 3.06 2.91 1ytnA1 PHE 271 HD2 -0.16 -0.01 -0.14 -0.04 7.28 6.93 1ytnA1 PHE 271 HE2 -0.40 -0.02 -0.15 -0.04 7.38 6.77 1ytnA1 PHE 271 HZ 0.26 0.10 -0.15 -0.04 7.32 7.48 1ytnA1 ARG 272 H 0.03 0.26 -0.51 -0.55 8.46 7.68 1ytnA1 ARG 272 HA 0.04 -0.01 0.27 -0.75 4.34 3.89 1ytnA1 ARG 272 HB2 -0.01 0.12 0.18 -0.04 1.90 2.14 1ytnA1 ARG 272 HB3 -0.00 -0.04 -0.08 -0.04 1.80 1.63 1ytnA1 ARG 272 HG2 0.05 -0.04 0.10 -0.04 1.67 1.74 1ytnA1 ARG 272 HG3 0.02 0.05 0.13 -0.04 1.67 1.82 1ytnA1 ARG 272 HD2 0.01 -0.04 -0.01 -0.04 3.22 3.15 1ytnA1 ARG 272 HD3 0.02 -0.00 0.00 -0.04 3.22 3.19 1ytnA1 MET 273 H -0.09 0.64 -0.10 -0.55 8.47 8.36 1ytnA1 MET 273 HA -0.06 0.04 0.45 -0.75 4.52 4.20 1ytnA1 MET 273 HB2 -0.12 -0.05 0.05 -0.04 2.15 1.99 1ytnA1 MET 273 HB3 -0.23 0.12 0.13 -0.04 2.03 2.01 1ytnA1 MET 273 HG2 -0.12 0.01 -0.19 -0.04 2.63 2.29 1ytnA1 MET 273 HG3 -0.13 0.00 -0.08 -0.04 2.56 2.31 1ytnA1 MET 273 HE3 -0.31 0.01 -0.16 -0.04 2.10 1.60 1ytnA1 LEU 274 H -0.16 0.47 -0.24 -0.55 8.37 7.89 1ytnA1 LEU 274 HA -0.07 -0.00 0.23 -0.75 4.35 3.74 1ytnA1 LEU 274 HB2 0.06 0.22 0.12 -0.04 1.64 2.00 1ytnA1 LEU 274 HB3 0.04 -0.05 -0.09 -0.04 1.64 1.50 1ytnA1 LEU 274 HG -0.45 0.25 -0.09 -0.04 1.64 1.31 1ytnA1 LEU 274 HD13 0.13 -0.04 -0.14 -0.04 0.93 0.85 1ytnA1 LEU 274 HD23 -0.18 -0.02 -0.09 -0.04 0.89 0.56 1ytnA1 ALA 275 H 0.03 0.54 -0.17 -0.55 8.40 8.24 1ytnA1 ALA 275 HA 0.05 0.05 0.51 -0.75 4.34 4.19 1ytnA1 ALA 275 HB3 0.05 0.01 0.04 -0.04 1.41 1.46 1ytnA1 GLU 276 H -0.00 0.68 0.03 -0.55 8.60 8.77 1ytnA1 GLU 276 HA -0.01 0.02 0.49 -0.75 4.29 4.03 1ytnA1 GLU 276 HB2 -0.01 0.07 0.06 -0.04 2.09 2.17 1ytnA1 GLU 276 HB3 -0.00 -0.05 0.04 -0.04 1.99 1.94 1ytnA1 GLU 276 HG2 0.00 -0.06 0.04 -0.04 2.34 2.27 1ytnA1 GLU 276 HG3 0.00 0.15 0.11 -0.04 2.34 2.56 1ytnA1 ASN 277 H -0.02 0.43 -0.41 -0.55 8.53 7.99 1ytnA1 ASN 277 HA -0.01 0.09 0.65 -0.75 4.76 4.74 1ytnA1 ASN 277 HB2 0.01 0.01 0.04 -0.04 2.88 2.89 1ytnA1 ASN 277 HB3 -0.02 0.10 0.05 -0.04 2.79 2.88 1ytnA1 ASN 277 HD21 0.01 0.39 0.02 -0.04 7.03 7.42 1ytnA1 ASN 277 HD22 -0.00 -0.05 -0.08 -0.04 7.74 7.56 1ytnA1 ARG 278 H -0.03 0.38 -0.53 -0.55 8.46 7.74 1ytnA1 ARG 278 HA -0.01 0.05 0.28 -0.75 4.34 3.90 1ytnA1 ARG 278 HB2 -0.24 0.03 -0.27 -0.04 1.90 1.39 1ytnA1 ARG 278 HB3 -0.60 -0.03 0.24 -0.04 1.80 1.36 1ytnA1 ARG 278 HG2 -0.55 -0.13 -0.00 -0.04 1.67 0.95 1ytnA1 ARG 278 HG3 -0.28 0.00 0.05 -0.04 1.67 1.40 1ytnA1 ARG 278 HD2 -0.07 0.39 0.05 -0.04 3.22 3.55 1ytnA1 ARG 278 HD3 -0.12 0.02 -0.14 -0.04 3.22 2.93 1ytnA1 THR 279 H 0.03 0.40 -0.10 -0.55 8.28 8.06 1ytnA1 THR 279 HA 0.03 0.13 0.14 -0.75 4.39 3.94 1ytnA1 THR 279 HB 0.05 -0.08 0.00 -0.04 4.32 4.25 1ytnA1 THR 279 HG23 0.01 -0.04 -0.10 -0.04 1.22 1.06 1ytnA1 PRO 280 HA 0.13 0.09 0.57 -0.51 4.44 4.73 1ytnA1 PRO 280 HB2 0.06 -0.02 0.19 -0.04 2.28 2.47 1ytnA1 PRO 280 HB3 0.10 0.01 0.14 -0.04 2.02 2.23 1ytnA1 PRO 280 HG2 0.04 -0.07 -0.14 -0.04 2.03 1.83 1ytnA1 PRO 280 HG3 0.05 0.21 -0.18 -0.04 2.03 2.07 1ytnA1 PRO 280 HD2 0.04 0.24 -0.23 -0.04 3.68 3.69 1ytnA1 PRO 280 HD3 0.04 0.12 -0.02 -0.04 3.65 3.75 1ytnA1 VAL 281 H 0.04 0.12 -0.28 -0.55 8.24 7.57 1ytnA1 VAL 281 HA 0.04 0.27 0.53 -0.75 4.13 4.22 1ytnA1 VAL 281 HB 0.03 0.20 -0.36 -0.04 2.12 1.95 1ytnA1 VAL 281 HG13 0.02 -0.02 -0.14 -0.04 0.97 0.79 1ytnA1 VAL 281 HG23 0.02 -0.01 -0.25 -0.04 0.95 0.66 1ytnA1 LEU 282 H 0.01 0.62 0.26 -0.55 8.37 8.71 1ytnA1 LEU 282 HA -0.02 0.30 1.10 -0.75 4.35 4.98 1ytnA1 LEU 282 HB2 0.00 0.02 -0.03 -0.04 1.64 1.59 1ytnA1 LEU 282 HB3 -0.03 -0.03 0.12 -0.04 1.64 1.65 1ytnA1 LEU 282 HG -0.22 -0.10 -0.37 -0.04 1.64 0.92 1ytnA1 LEU 282 HD13 0.05 0.07 -0.10 -0.04 0.93 0.91 1ytnA1 LEU 282 HD23 0.03 -0.02 -0.13 -0.04 0.89 0.73 1ytnA1 ALA 283 H -0.05 0.62 0.31 -0.55 8.40 8.74 1ytnA1 ALA 283 HA -0.06 0.20 0.94 -0.75 4.34 4.68 1ytnA1 ALA 283 HB3 -0.01 -0.03 0.03 -0.04 1.41 1.36 1ytnA1 VAL 284 H -0.14 0.62 0.36 -0.55 8.24 8.53 1ytnA1 VAL 284 HA -0.53 0.27 1.02 -0.75 4.13 4.13 1ytnA1 VAL 284 HB -0.64 -0.05 0.11 -0.04 2.12 1.51 1ytnA1 VAL 284 HG13 -0.50 -0.02 -0.06 -0.04 0.97 0.35 1ytnA1 VAL 284 HG23 -0.93 0.03 -0.24 -0.04 0.95 -0.23 1ytnA1 LEU 285 H -0.15 0.59 0.34 -0.55 8.37 8.60 1ytnA1 LEU 285 HA 0.14 0.21 0.81 -0.75 4.35 4.76 1ytnA1 LEU 285 HB2 -0.18 -0.20 -0.03 -0.04 1.64 1.20 1ytnA1 LEU 285 HB3 -0.10 0.00 0.09 -0.04 1.64 1.59 1ytnA1 LEU 285 HG -0.06 0.11 -0.26 -0.04 1.64 1.38 1ytnA1 LEU 285 HD13 -0.05 -0.04 -0.31 -0.04 0.93 0.49 1ytnA1 LEU 285 HD23 0.15 0.04 -0.31 -0.04 0.89 0.73 1ytnA1 ALA 286 H 0.08 0.17 -0.06 -0.55 8.40 8.05 1ytnA1 ALA 286 HA 0.10 -0.05 0.67 -0.75 4.34 4.30 1ytnA1 ALA 286 HB3 0.32 0.04 -0.05 -0.04 1.41 1.68 1ytnA1 SER 287 H 0.13 0.04 0.15 -0.55 8.46 8.24 1ytnA1 SER 287 HA 0.22 0.21 0.36 -0.75 4.49 4.53 1ytnA1 SER 287 HB2 0.13 0.17 0.19 -0.04 3.95 4.41 1ytnA1 SER 287 HB3 0.15 0.12 -0.03 -0.04 3.93 4.13 1ytnA1 SER 288 H 0.15 0.52 0.32 -0.55 8.46 8.90 1ytnA1 SER 288 HA 0.19 0.12 0.38 -0.75 4.49 4.43 1ytnA1 SER 288 HB2 0.10 0.01 0.09 -0.04 3.95 4.10 1ytnA1 SER 288 HB3 0.10 0.04 0.04 -0.04 3.93 4.06 1ytnA1 SER 289 H 0.11 0.10 -0.11 -0.55 8.46 8.01 1ytnA1 SER 289 HA 0.06 0.14 0.51 -0.75 4.49 4.44 1ytnA1 SER 289 HB2 0.10 -0.03 -0.06 -0.04 3.95 3.92 1ytnA1 SER 289 HB3 0.06 0.06 0.02 -0.04 3.93 4.03 1ytnA1 GLU 290 H 0.14 0.05 -0.34 -0.55 8.60 7.91 1ytnA1 GLU 290 HA 0.39 0.08 0.50 -0.75 4.29 4.51 1ytnA1 GLU 290 HB2 0.13 0.11 0.09 -0.04 2.09 2.38 1ytnA1 GLU 290 HB3 0.11 0.07 -0.02 -0.04 1.99 2.11 1ytnA1 GLU 290 HG2 0.07 0.06 0.06 -0.04 2.34 2.49 1ytnA1 GLU 290 HG3 0.15 -0.06 0.03 -0.04 2.34 2.42 1ytnA1 ILE 291 H 0.11 0.40 -0.10 -0.55 8.25 8.11 1ytnA1 ILE 291 HA -0.05 0.11 0.22 -0.75 4.18 3.71 1ytnA1 ILE 291 HB 0.06 -0.00 0.04 -0.04 1.89 1.95 1ytnA1 ILE 291 HG12 0.04 0.04 -0.09 -0.04 1.49 1.43 1ytnA1 ILE 291 HG13 0.15 0.06 -0.06 -0.04 1.21 1.32 1ytnA1 ILE 291 HG23 -0.02 0.04 -0.20 -0.04 0.93 0.71 1ytnA1 ILE 291 HD13 0.17 -0.03 -0.11 -0.04 0.88 0.86 1ytnA1 ALA 292 H 0.05 0.33 -0.46 -0.55 8.40 7.77 1ytnA1 ALA 292 HA -0.00 0.00 0.34 -0.75 4.34 3.92 1ytnA1 ALA 292 HB3 0.01 0.01 0.11 -0.04 1.41 1.50 1ytnA1 ASN 293 H -0.03 0.41 -0.31 -0.55 8.53 8.05 1ytnA1 ASN 293 HA -0.14 -0.02 0.46 -0.75 4.76 4.30 1ytnA1 ASN 293 HB2 -0.21 0.13 0.17 -0.04 2.88 2.92 1ytnA1 ASN 293 HB3 -0.53 0.06 0.27 -0.04 2.79 2.55 1ytnA1 ASN 293 HD21 -0.39 -0.00 -0.00 -0.04 7.03 6.59 1ytnA1 ASN 293 HD22 -0.43 0.03 0.02 -0.04 7.74 7.31 1ytnA1 GLN 294 H -0.09 0.23 0.29 -0.55 8.47 8.35 1ytnA1 GLN 294 HA -0.05 0.09 0.08 -0.75 4.36 3.73 1ytnA1 GLN 294 HB2 -0.06 -0.03 0.11 -0.04 2.15 2.14 1ytnA1 GLN 294 HB3 -0.03 -0.00 0.09 -0.04 2.02 2.03 1ytnA1 GLN 294 HG2 -0.04 0.05 0.14 -0.04 2.40 2.51 1ytnA1 GLN 294 HG3 -0.02 -0.02 0.06 -0.04 2.39 2.37 1ytnA1 GLN 294 HE21 -0.02 0.04 -0.05 -0.04 6.97 6.90 1ytnA1 GLN 294 HE22 -0.04 0.25 -0.01 -0.04 7.69 7.85 1ytnA1 ARG 295 H -0.22 0.03 -0.45 -0.55 8.46 7.27 1ytnA1 ARG 295 HA -0.05 0.06 0.38 -0.75 4.34 3.98 1ytnA1 ARG 295 HB2 -0.42 -0.00 -0.00 -0.04 1.90 1.43 1ytnA1 ARG 295 HB3 -0.06 0.02 0.04 -0.04 1.80 1.76 1ytnA1 ARG 295 HG2 -0.08 0.02 0.02 -0.04 1.67 1.59 1ytnA1 ARG 295 HG3 -0.18 -0.06 0.02 -0.04 1.67 1.41 1ytnA1 ARG 295 HD2 -0.15 -0.01 -0.00 -0.04 3.22 3.02 1ytnA1 ARG 295 HD3 -0.05 0.02 0.01 -0.04 3.22 3.15 1ytnA1 PHE 296 H -0.22 0.59 -0.10 -0.55 8.34 8.05 1ytnA1 PHE 296 HA 0.00 0.09 0.65 -0.75 4.62 4.61 1ytnA1 PHE 296 HB2 -0.05 0.23 0.03 -0.04 3.15 3.32 1ytnA1 PHE 296 HB3 -0.04 -0.08 0.03 -0.04 3.06 2.93 1ytnA1 PHE 296 HD2 0.00 0.09 -0.04 -0.04 7.28 7.28 1ytnA1 PHE 296 HE2 0.01 -0.04 -0.02 -0.04 7.38 7.30 1ytnA1 PHE 296 HZ 0.00 -0.03 -0.01 -0.04 7.32 7.25 1ytnA1 GLY 297 H 0.04 0.39 -0.36 -0.55 8.43 7.95 1ytnA1 GLY 297 HA2 0.00 -0.01 0.23 -0.51 4.01 3.73 1ytnA1 GLY 297 HA3 0.01 -0.00 0.28 -0.51 4.01 3.79 1ytnA1 MET 298 H -0.04 0.15 -0.34 -0.55 8.47 7.70 1ytnA1 MET 298 HA -0.25 0.23 0.64 -0.75 4.52 4.39 1ytnA1 MET 298 HB2 -0.21 0.01 -0.07 -0.04 2.15 1.83 1ytnA1 MET 298 HB3 -1.01 -0.03 -0.05 -0.04 2.03 0.90 1ytnA1 MET 298 HG2 -0.66 0.02 -0.06 -0.04 2.63 1.90 1ytnA1 MET 298 HG3 -0.18 0.21 -0.31 -0.04 2.56 2.23 1ytnA1 MET 298 HE3 -0.24 -0.02 -0.08 -0.04 2.10 1.72 1ytnA1 PRO 299 HA 0.08 0.04 0.40 -0.51 4.44 4.44 1ytnA1 PRO 299 HB2 0.22 -0.00 -0.17 -0.04 2.28 2.28 1ytnA1 PRO 299 HB3 0.12 0.01 0.01 -0.04 2.02 2.11 1ytnA1 PRO 299 HG2 0.19 0.05 -0.05 -0.04 2.03 2.18 1ytnA1 PRO 299 HG3 0.06 -0.04 -0.12 -0.04 2.03 1.89 1ytnA1 PRO 299 HD2 0.04 0.35 0.23 -0.04 3.68 4.26 1ytnA1 PRO 299 HD3 0.03 0.04 -0.12 -0.04 3.65 3.56 1ytnA1 ASP 300 H 0.08 0.18 0.03 -0.55 8.40 8.14 1ytnA1 ASP 300 HA -0.09 0.07 0.54 -0.75 4.63 4.40 1ytnA1 ASP 300 HB2 -0.04 0.10 0.05 -0.04 2.71 2.78 1ytnA1 ASP 300 HB3 -0.04 0.03 0.17 -0.04 2.70 2.82 1ytnA1 TYR 301 H 0.16 0.37 -0.10 -0.55 8.29 8.17 1ytnA1 TYR 301 HA 0.15 0.24 0.57 -0.75 4.56 4.76 1ytnA1 TYR 301 HB2 0.15 0.02 -0.04 -0.04 3.06 3.15 1ytnA1 TYR 301 HB3 0.09 0.00 -0.17 -0.04 2.98 2.85 1ytnA1 TYR 301 HD2 0.19 0.13 -0.15 -0.04 7.15 7.27 1ytnA1 TYR 301 HE2 -0.33 0.02 -0.10 -0.04 6.85 6.40 1ytnA1 PHE 302 H -0.76 0.03 -0.08 -0.55 8.34 6.97 1ytnA1 PHE 302 HA -0.08 0.26 0.60 -0.75 4.62 4.65 1ytnA1 PHE 302 HB2 -0.31 0.02 -0.04 -0.04 3.15 2.77 1ytnA1 PHE 302 HB3 -0.53 0.04 -0.10 -0.04 3.06 2.43 1ytnA1 PHE 302 HD2 -1.09 -0.00 -0.16 -0.04 7.28 5.98 1ytnA1 PHE 302 HE2 -0.39 0.02 -0.09 -0.04 7.38 6.88 1ytnA1 PHE 302 HZ -1.20 0.03 -0.10 -0.04 7.32 6.01 1ytnA1 ARG 303 H -0.73 0.03 -0.28 -0.55 8.46 6.93 1ytnA1 ARG 303 HA -0.44 0.15 0.62 -0.75 4.34 3.93 1ytnA1 ARG 303 HB2 -0.39 0.01 -0.06 -0.04 1.90 1.42 1ytnA1 ARG 303 HB3 -0.14 0.03 0.06 -0.04 1.80 1.71 1ytnA1 ARG 303 HG2 -0.15 0.02 -0.06 -0.04 1.67 1.44 1ytnA1 ARG 303 HG3 -1.01 -0.04 -0.22 -0.04 1.67 0.36 1ytnA1 ARG 303 HD2 -1.17 -0.05 -0.09 -0.04 3.22 1.87 1ytnA1 ARG 303 HD3 -0.41 0.04 -0.06 -0.04 3.22 2.75 1ytnA1 GLN 304 H -0.06 0.24 -0.39 -0.55 8.47 7.71 1ytnA1 GLN 304 HA 0.03 0.03 0.09 -0.75 4.36 3.76 1ytnA1 GLN 304 HB2 0.02 0.04 0.16 -0.04 2.15 2.33 1ytnA1 GLN 304 HB3 0.01 0.07 0.27 -0.04 2.02 2.34 1ytnA1 GLN 304 HG2 -0.01 -0.03 -0.12 -0.04 2.40 2.20 1ytnA1 GLN 304 HG3 -0.06 -0.24 -0.73 -0.04 2.39 1.32 1ytnA1 GLN 304 HE21 0.03 -0.05 -0.01 -0.04 6.97 6.90 1ytnA1 GLN 304 HE22 -0.02 -0.10 -0.03 -0.04 7.69 7.49 1ytnA1 SER 305 H 0.03 0.08 0.17 -0.55 8.46 8.19 1ytnA1 SER 305 HA 0.04 0.13 0.56 -0.75 4.49 4.46 1ytnA1 SER 305 HB2 0.01 -0.05 0.17 -0.04 3.95 4.04 1ytnA1 SER 305 HB3 0.00 0.08 0.23 -0.04 3.93 4.20 1ytnA1 GLY 306 H 0.01 0.60 0.40 -0.55 8.43 8.90 1ytnA1 GLY 306 HA2 -0.12 0.02 0.33 -0.51 4.01 3.73 1ytnA1 GLY 306 HA3 -0.08 0.08 0.40 -0.51 4.01 3.91 1ytnA1 THR 307 H -0.46 0.23 0.17 -0.55 8.28 7.68 1ytnA1 THR 307 HA -0.15 0.25 0.99 -0.75 4.39 4.73 1ytnA1 THR 307 HB -0.16 -0.05 0.11 -0.04 4.32 4.18 1ytnA1 THR 307 HG23 -0.05 0.03 -0.14 -0.04 1.22 1.02 1ytnA1 TYR 308 H 0.10 0.91 0.11 -0.55 8.29 8.87 1ytnA1 TYR 308 HA 0.04 0.10 0.85 -0.75 4.56 4.80 1ytnA1 TYR 308 HB2 0.12 -0.00 0.12 -0.04 3.06 3.26 1ytnA1 TYR 308 HB3 0.11 -0.10 -0.00 -0.04 2.98 2.95 1ytnA1 TYR 308 HD2 0.02 0.08 -0.13 -0.04 7.15 7.08 1ytnA1 TYR 308 HE2 0.03 0.03 -0.16 -0.04 6.85 6.71 1ytnA1 GLY 309 H 0.05 0.17 0.05 -0.55 8.43 8.16 1ytnA1 GLY 309 HA2 0.04 0.05 0.36 -0.51 4.01 3.95 1ytnA1 GLY 309 HA3 0.07 0.03 0.63 -0.51 4.01 4.23 1ytnA1 SER 310 H 0.05 0.12 0.23 -0.55 8.46 8.31 1ytnA1 SER 310 HA 0.02 0.12 0.46 -0.75 4.49 4.34 1ytnA1 SER 310 HB2 0.02 -0.05 0.13 -0.04 3.95 4.00 1ytnA1 SER 310 HB3 0.02 -0.01 0.09 -0.04 3.93 3.99 1ytnA1 ILE 311 H 0.08 0.26 -0.03 -0.55 8.25 8.01 1ytnA1 ILE 311 HA 0.03 0.35 0.89 -0.75 4.18 4.69 1ytnA1 ILE 311 HB 0.15 0.02 0.19 -0.04 1.89 2.21 1ytnA1 ILE 311 HG12 0.05 0.04 -0.04 -0.04 1.49 1.49 1ytnA1 ILE 311 HG13 0.07 -0.16 0.10 -0.04 1.21 1.18 1ytnA1 ILE 311 HG23 -0.01 0.00 -0.14 -0.04 0.93 0.74 1ytnA1 ILE 311 HD13 0.10 0.00 0.01 -0.04 0.88 0.95 1ytnA1 THR 312 H -0.00 0.55 0.40 -0.55 8.28 8.67 1ytnA1 THR 312 HA -0.01 0.17 1.22 -0.75 4.39 5.01 1ytnA1 THR 312 HB -0.03 0.03 0.17 -0.04 4.32 4.45 1ytnA1 THR 312 HG23 -0.01 0.01 -0.09 -0.04 1.22 1.09 1ytnA1 VAL 313 H -0.01 0.77 0.45 -0.55 8.24 8.89 1ytnA1 VAL 313 HA -0.09 0.41 1.09 -0.75 4.13 4.79 1ytnA1 VAL 313 HB -0.03 -0.02 0.02 -0.04 2.12 2.05 1ytnA1 VAL 313 HG13 -0.12 0.00 -0.13 -0.04 0.97 0.68 1ytnA1 VAL 313 HG23 -0.84 -0.03 -0.34 -0.04 0.95 -0.29 1ytnA1 GLU 314 H -0.01 0.38 0.29 -0.55 8.60 8.71 1ytnA1 GLU 314 HA 0.02 0.03 0.91 -0.75 4.29 4.49 1ytnA1 GLU 314 HB2 0.01 0.00 -0.05 -0.04 2.09 2.01 1ytnA1 GLU 314 HB3 0.01 -0.01 0.13 -0.04 1.99 2.08 1ytnA1 GLU 314 HG2 0.04 0.08 -0.69 -0.04 2.34 1.73 1ytnA1 GLU 314 HG3 0.03 0.00 -0.07 -0.04 2.34 2.26 1ytnA1 SER 315 H 0.05 0.06 -0.08 -0.55 8.46 7.95 1ytnA1 SER 315 HA 0.11 0.28 0.73 -0.75 4.49 4.85 1ytnA1 SER 315 HB2 0.06 0.06 -0.30 -0.04 3.95 3.74 1ytnA1 SER 315 HB3 0.07 -0.11 -0.44 -0.04 3.93 3.40 1ytnA1 LYS 316 H 0.20 0.20 0.11 -0.55 8.42 8.38 1ytnA1 LYS 316 HA 0.09 0.01 0.59 -0.75 4.32 4.26 1ytnA1 LYS 316 HB2 0.05 0.04 0.08 -0.04 1.87 2.00 1ytnA1 LYS 316 HB3 0.07 0.08 -0.11 -0.04 1.79 1.79 1ytnA1 LYS 316 HG2 0.04 -0.06 -0.09 -0.04 1.46 1.31 1ytnA1 LYS 316 HG3 0.03 0.12 -0.13 -0.04 1.46 1.44 1ytnA1 LYS 316 HD2 0.02 -0.01 -0.05 -0.04 1.69 1.61 1ytnA1 LYS 316 HD3 0.02 -0.01 -0.02 -0.04 1.68 1.63 1ytnA1 LYS 316 HE2 0.03 -0.00 -0.06 -0.04 2.99 2.91 1ytnA1 LYS 316 HE3 0.02 -0.02 -0.05 -0.04 2.99 2.89 1ytnA1 MET 317 H 0.06 0.13 0.15 -0.55 8.47 8.26 1ytnA1 MET 317 HA -0.37 0.12 0.90 -0.75 4.52 4.42 1ytnA1 MET 317 HB2 -0.24 -0.03 0.10 -0.04 2.15 1.94 1ytnA1 MET 317 HB3 -0.05 -0.04 0.16 -0.04 2.03 2.07 1ytnA1 MET 317 HG2 -0.12 0.02 -0.20 -0.04 2.63 2.29 1ytnA1 MET 317 HG3 -0.33 0.13 -0.02 -0.04 2.56 2.30 1ytnA1 MET 317 HE3 -0.17 0.01 -0.02 -0.04 2.10 1.89 1ytnA1 THR 318 H -0.22 0.65 0.27 -0.55 8.28 8.43 1ytnA1 THR 318 HA -0.05 0.20 1.04 -0.75 4.39 4.82 1ytnA1 THR 318 HB -0.02 -0.00 0.02 -0.04 4.32 4.28 1ytnA1 THR 318 HG23 -0.00 0.03 -0.31 -0.04 1.22 0.90 1ytnA1 GLN 319 H -0.05 0.07 0.13 -0.55 8.47 8.08 1ytnA1 GLN 319 HA -0.04 0.23 0.77 -0.75 4.36 4.56 1ytnA1 GLN 319 HB2 -0.02 -0.02 -0.01 -0.04 2.15 2.06 1ytnA1 GLN 319 HB3 -0.02 -0.01 0.13 -0.04 2.02 2.08 1ytnA1 GLN 319 HG2 -0.01 0.03 -0.00 -0.04 2.40 2.37 1ytnA1 GLN 319 HG3 -0.02 -0.04 -0.07 -0.04 2.39 2.22 1ytnA1 GLN 319 HE21 -0.00 0.05 -0.02 -0.04 6.97 6.95 1ytnA1 GLN 319 HE22 -0.01 -0.01 -0.03 -0.04 7.69 7.60 1ytnA1 GLN 320 H -0.03 0.32 0.13 -0.55 8.47 8.35 1ytnA1 GLN 320 HA -0.03 0.15 0.83 -0.75 4.36 4.56 1ytnA1 GLN 320 HB2 -0.04 0.08 -0.15 -0.04 2.15 1.99 1ytnA1 GLN 320 HB3 -0.02 -0.03 0.10 -0.04 2.02 2.02 1ytnA1 GLN 320 HG2 -0.01 -0.05 -0.13 -0.04 2.40 2.16 1ytnA1 GLN 320 HG3 -0.01 0.10 0.06 -0.04 2.39 2.50 1ytnA1 GLN 320 HE21 0.00 -0.01 -0.06 -0.04 6.97 6.87 1ytnA1 GLN 320 HE22 -0.00 -0.03 -0.11 -0.04 7.69 7.51 1ytnA1 VAL 321 H -0.01 0.56 0.27 -0.55 8.24 8.52 1ytnA1 VAL 321 HA -0.01 0.17 1.01 -0.75 4.13 4.55 1ytnA1 VAL 321 HB -0.00 -0.06 -0.01 -0.04 2.12 2.00 1ytnA1 VAL 321 HG13 -0.01 0.05 -0.12 -0.04 0.97 0.85 1ytnA1 VAL 321 HG23 -0.00 0.02 -0.18 -0.04 0.95 0.74 1ytnA1 GLY 322 H -0.01 0.21 0.18 -0.55 8.43 8.26 1ytnA1 GLY 322 HA2 -0.02 0.15 0.85 -0.51 4.01 4.49 1ytnA1 GLY 322 HA3 -0.02 0.02 0.34 -0.51 4.01 3.85 1ytnA1 LEU 323 H -0.03 0.41 0.19 -0.55 8.37 8.40 1ytnA1 LEU 323 HA -0.03 0.18 0.63 -0.75 4.35 4.38 1ytnA1 LEU 323 HB2 -0.06 -0.00 -0.09 -0.04 1.64 1.45 1ytnA1 LEU 323 HB3 -0.05 0.02 0.01 -0.04 1.64 1.58 1ytnA1 LEU 323 HG -0.02 0.00 -0.21 -0.04 1.64 1.38 1ytnA1 LEU 323 HD13 -0.02 -0.01 -0.20 -0.04 0.93 0.65 1ytnA1 LEU 323 HD23 -0.01 0.02 -0.26 -0.04 0.89 0.60 1ytnA1 GLY 324 H -0.04 0.11 -0.00 -0.55 8.43 7.95 1ytnA1 GLY 324 HA2 -0.03 0.01 0.30 -0.51 4.01 3.78 1ytnA1 GLY 324 HA3 -0.04 0.28 0.91 -0.51 4.01 4.65 1ytnA1 ASP 325 H -0.04 0.20 0.14 -0.55 8.40 8.15 1ytnA1 ASP 325 HA -0.04 0.08 0.33 -0.75 4.63 4.24 1ytnA1 ASP 325 HB2 -0.06 -0.05 -0.23 -0.04 2.71 2.32 1ytnA1 ASP 325 HB3 -0.09 0.11 -0.03 -0.04 2.70 2.65 1ytnA1 GLY 326 H -0.03 0.01 -0.35 -0.55 8.43 7.51 1ytnA1 GLY 326 HA2 -0.02 0.00 0.29 -0.51 4.01 3.77 1ytnA1 GLY 326 HA3 -0.03 0.18 0.72 -0.51 4.01 4.37 1ytnA1 ILE 327 H -0.06 0.48 -0.33 -0.55 8.25 7.80 1ytnA1 ILE 327 HA -0.04 0.10 0.49 -0.75 4.18 3.98 1ytnA1 ILE 327 HB -0.10 0.03 0.01 -0.04 1.89 1.79 1ytnA1 ILE 327 HG12 -0.11 0.07 -0.05 -0.04 1.49 1.36 1ytnA1 ILE 327 HG13 -0.22 -0.10 -0.03 -0.04 1.21 0.82 1ytnA1 ILE 327 HG23 -0.08 -0.02 -0.16 -0.04 0.93 0.63 1ytnA1 ILE 327 HD13 -0.14 -0.00 -0.04 -0.04 0.88 0.66 1ytnA1 MET 328 H -0.02 0.16 0.17 -0.55 8.47 8.24 1ytnA1 MET 328 HA -0.02 0.16 1.05 -0.75 4.52 4.95 1ytnA1 MET 328 HB2 -0.01 0.08 -0.32 -0.04 2.15 1.86 1ytnA1 MET 328 HB3 -0.01 -0.06 -0.03 -0.04 2.03 1.89 1ytnA1 MET 328 HG2 -0.01 -0.01 -0.14 -0.04 2.63 2.43 1ytnA1 MET 328 HG3 -0.01 0.11 -0.13 -0.04 2.56 2.49 1ytnA1 MET 328 HE3 -0.01 0.00 -0.24 -0.04 2.10 1.81 1ytnA1 ALA 329 H -0.01 0.79 0.33 -0.55 8.40 8.96 1ytnA1 ALA 329 HA 0.00 0.23 0.93 -0.75 4.34 4.75 1ytnA1 ALA 329 HB3 0.02 -0.01 -0.07 -0.04 1.41 1.32 1ytnA1 ASP 330 H 0.06 0.64 0.35 -0.55 8.40 8.89 1ytnA1 ASP 330 HA -0.01 0.16 0.94 -0.75 4.63 4.97 1ytnA1 ASP 330 HB2 0.24 0.01 0.23 -0.04 2.71 3.15 1ytnA1 ASP 330 HB3 0.21 0.06 -0.03 -0.04 2.70 2.90 1ytnA1 MET 331 H -0.10 0.61 0.25 -0.55 8.47 8.69 1ytnA1 MET 331 HA 0.14 0.27 1.17 -0.75 4.52 5.34 1ytnA1 MET 331 HB2 -0.03 -0.10 0.10 -0.04 2.15 2.07 1ytnA1 MET 331 HB3 0.02 0.14 0.15 -0.04 2.03 2.30 1ytnA1 MET 331 HG2 0.05 0.08 -0.03 -0.04 2.63 2.70 1ytnA1 MET 331 HG3 0.02 -0.15 -0.41 -0.04 2.56 1.98 1ytnA1 MET 331 HE3 0.03 0.06 -0.01 -0.04 2.10 2.13 1ytnA1 TYR 332 H 0.28 0.50 0.35 -0.55 8.29 8.86 1ytnA1 TYR 332 HA 0.06 0.18 1.00 -0.75 4.56 5.05 1ytnA1 TYR 332 HB2 0.13 -0.07 -0.07 -0.04 3.06 3.01 1ytnA1 TYR 332 HB3 0.10 -0.03 0.01 -0.04 2.98 3.03 1ytnA1 TYR 332 HD2 0.13 -0.02 -0.31 -0.04 7.15 6.91 1ytnA1 TYR 332 HE2 0.18 -0.00 -0.14 -0.04 6.85 6.84 1ytnA1 THR 333 H 0.22 0.43 0.25 -0.55 8.28 8.63 1ytnA1 THR 333 HA 0.11 0.26 1.00 -0.75 4.39 5.02 1ytnA1 THR 333 HB 0.07 -0.01 0.12 -0.04 4.32 4.46 1ytnA1 THR 333 HG23 0.05 0.01 -0.17 -0.04 1.22 1.07 1ytnA1 LEU 334 H 0.11 0.57 0.26 -0.55 8.37 8.77 1ytnA1 LEU 334 HA 0.10 0.17 0.75 -0.75 4.35 4.61 1ytnA1 LEU 334 HB2 0.13 0.02 0.18 -0.04 1.64 1.93 1ytnA1 LEU 334 HB3 0.14 0.02 -0.10 -0.04 1.64 1.66 1ytnA1 LEU 334 HG 0.15 -0.02 -0.08 -0.04 1.64 1.65 1ytnA1 LEU 334 HD13 0.38 -0.01 -0.13 -0.04 0.93 1.13 1ytnA1 LEU 334 HD23 0.15 -0.05 -0.08 -0.04 0.89 0.87 1ytnA1 THR 335 H 0.04 0.42 0.26 -0.55 8.28 8.45 1ytnA1 THR 335 HA 0.04 0.16 0.82 -0.75 4.39 4.65 1ytnA1 THR 335 HB 0.02 0.01 0.16 -0.04 4.32 4.48 1ytnA1 THR 335 HG23 0.01 -0.01 -0.19 -0.04 1.22 0.99 1ytnA1 ILE 336 H 0.03 0.96 0.34 -0.55 8.25 9.03 1ytnA1 ILE 336 HA -0.07 0.15 0.93 -0.75 4.18 4.43 1ytnA1 ILE 336 HB 0.04 0.04 0.16 -0.04 1.89 2.10 1ytnA1 ILE 336 HG12 -0.03 -0.04 -0.22 -0.04 1.49 1.16 1ytnA1 ILE 336 HG13 0.06 0.04 -0.25 -0.04 1.21 1.03 1ytnA1 ILE 336 HG23 0.01 -0.01 -0.18 -0.04 0.93 0.71 1ytnA1 ILE 336 HD13 0.21 0.00 -0.15 -0.04 0.88 0.89 1ytnA1 ARG 337 H -0.03 0.65 0.34 -0.55 8.46 8.87 1ytnA1 ARG 337 HA 0.01 0.19 1.03 -0.75 4.34 4.82 1ytnA1 ARG 337 HB2 -0.01 -0.01 0.12 -0.04 1.90 1.97 1ytnA1 ARG 337 HB3 0.00 -0.02 -0.07 -0.04 1.80 1.67 1ytnA1 ARG 337 HG2 0.01 0.02 -0.13 -0.04 1.67 1.52 1ytnA1 ARG 337 HG3 -0.00 -0.01 -0.39 -0.04 1.67 1.23 1ytnA1 ARG 337 HD2 -0.00 0.00 -0.13 -0.04 3.22 3.06 1ytnA1 ARG 337 HD3 0.00 -0.03 -0.08 -0.04 3.22 3.07 1ytnA1 GLU 338 H 0.01 0.41 0.08 -0.55 8.60 8.55 1ytnA1 GLU 338 HA 0.02 0.21 0.73 -0.75 4.29 4.49 1ytnA1 GLU 338 HB2 0.03 -0.01 -0.21 -0.04 2.09 1.86 1ytnA1 GLU 338 HB3 0.02 0.02 -0.04 -0.04 1.99 1.94 1ytnA1 GLU 338 HG2 0.02 0.03 -0.02 -0.04 2.34 2.34 1ytnA1 GLU 338 HG3 0.03 -0.05 -0.13 -0.04 2.34 2.15 1ytnA1 ALA 339 H 0.01 0.19 0.12 -0.55 8.40 8.18 1ytnA1 ALA 339 HA 0.01 0.05 0.48 -0.75 4.34 4.12 1ytnA1 ALA 339 HB3 0.01 0.01 0.12 -0.04 1.41 1.51 1ytnA1 GLY 340 H 0.01 0.12 0.18 -0.55 8.43 8.20 1ytnA1 GLY 340 HA2 0.01 -0.02 0.36 -0.51 4.01 3.85 1ytnA1 GLY 340 HA3 0.01 0.06 0.35 -0.51 4.01 3.92 1ytnA1 GLN 341 H 0.01 0.45 -0.68 -0.55 8.47 7.70 1ytnA1 GLN 341 HA 0.01 0.13 0.81 -0.75 4.36 4.57 1ytnA1 GLN 341 HB2 0.02 0.01 -0.08 -0.04 2.15 2.05 1ytnA1 GLN 341 HB3 0.02 0.05 -0.04 -0.04 2.02 2.00 1ytnA1 GLN 341 HG2 0.02 0.15 -0.23 -0.04 2.40 2.29 1ytnA1 GLN 341 HG3 0.02 -0.07 -0.10 -0.04 2.39 2.20 1ytnA1 GLN 341 HE21 0.01 -0.01 -0.01 -0.04 6.97 6.92 1ytnA1 GLN 341 HE22 0.02 0.04 -0.03 -0.04 7.69 7.68 1ytnA1 LYS 342 H 0.02 0.12 0.13 -0.55 8.42 8.14 1ytnA1 LYS 342 HA 0.02 0.01 0.41 -0.75 4.32 4.02 1ytnA1 LYS 342 HB2 0.03 -0.02 0.10 -0.04 1.87 1.94 1ytnA1 LYS 342 HB3 0.03 -0.03 0.16 -0.04 1.79 1.91 1ytnA1 LYS 342 HG2 0.06 0.03 -0.31 -0.04 1.46 1.20 1ytnA1 LYS 342 HG3 0.05 0.05 -0.03 -0.04 1.46 1.48 1ytnA1 LYS 342 HD2 0.05 -0.04 0.02 -0.04 1.69 1.68 1ytnA1 LYS 342 HD3 0.05 -0.03 0.00 -0.04 1.68 1.66 1ytnA1 LYS 342 HE2 0.14 -0.04 0.01 -0.04 2.99 3.06 1ytnA1 LYS 342 HE3 0.14 0.08 -0.03 -0.04 2.99 3.14 1ytnA1 THR 343 H 0.03 0.06 0.22 -0.55 8.28 8.04 1ytnA1 THR 343 HA 0.03 0.20 0.66 -0.75 4.39 4.53 1ytnA1 THR 343 HB 0.02 -0.04 0.10 -0.04 4.32 4.36 1ytnA1 THR 343 HG23 0.02 0.01 -0.20 -0.04 1.22 1.01 1ytnA1 ILE 344 H 0.04 0.52 0.36 -0.55 8.25 8.62 1ytnA1 ILE 344 HA 0.09 0.16 0.90 -0.75 4.18 4.58 1ytnA1 ILE 344 HB 0.06 -0.07 0.13 -0.04 1.89 1.97 1ytnA1 ILE 344 HG12 0.06 0.19 -0.28 -0.04 1.49 1.41 1ytnA1 ILE 344 HG13 0.06 0.07 -0.03 -0.04 1.21 1.27 1ytnA1 ILE 344 HG23 0.12 0.01 -0.18 -0.04 0.93 0.84 1ytnA1 ILE 344 HD13 0.14 0.07 -0.11 -0.04 0.88 0.94 1ytnA1 SER 345 H 0.07 0.26 0.20 -0.55 8.46 8.44 1ytnA1 SER 345 HA 0.06 0.29 1.27 -0.75 4.49 5.35 1ytnA1 SER 345 HB2 0.04 0.03 -0.06 -0.04 3.95 3.92 1ytnA1 SER 345 HB3 0.03 -0.10 -0.05 -0.04 3.93 3.77 1ytnA1 VAL 346 H 0.08 0.65 0.31 -0.55 8.24 8.73 1ytnA1 VAL 346 HA 0.08 0.39 0.83 -0.75 4.13 4.67 1ytnA1 VAL 346 HB 0.11 -0.13 0.03 -0.04 2.12 2.08 1ytnA1 VAL 346 HG13 0.06 0.01 -0.22 -0.04 0.97 0.78 1ytnA1 VAL 346 HG23 0.09 0.02 -0.27 -0.04 0.95 0.75 1ytnA1 PRO 347 HA 0.07 0.18 0.97 -0.51 4.44 5.16 1ytnA1 PRO 347 HB2 0.04 -0.03 0.06 -0.04 2.28 2.31 1ytnA1 PRO 347 HB3 0.04 -0.02 0.14 -0.04 2.02 2.13 1ytnA1 PRO 347 HG2 0.04 0.02 0.29 -0.04 2.03 2.35 1ytnA1 PRO 347 HG3 0.03 0.10 0.18 -0.04 2.03 2.30 1ytnA1 PRO 347 HD2 0.06 0.30 0.15 -0.04 3.68 4.15 1ytnA1 PRO 347 HD3 0.04 0.08 -0.04 -0.04 3.65 3.68 1ytnA1 VAL 348 H 0.12 0.59 0.27 -0.55 8.24 8.67 1ytnA1 VAL 348 HA -0.01 0.25 0.92 -0.75 4.13 4.54 1ytnA1 VAL 348 HB 0.23 -0.16 0.06 -0.04 2.12 2.21 1ytnA1 VAL 348 HG13 -0.28 -0.01 -0.16 -0.04 0.97 0.47 1ytnA1 VAL 348 HG23 0.06 0.02 -0.16 -0.04 0.95 0.83 1ytnA1 VAL 349 H -0.02 0.62 0.29 -0.55 8.24 8.58 1ytnA1 VAL 349 HA 0.09 0.16 0.74 -0.75 4.13 4.37 1ytnA1 VAL 349 HB 0.02 -0.00 0.13 -0.04 2.12 2.22 1ytnA1 VAL 349 HG13 0.05 -0.04 -0.21 -0.04 0.97 0.73 1ytnA1 VAL 349 HG23 0.03 0.03 -0.17 -0.04 0.95 0.80 1ytnA1 HIS 350 H 0.22 0.89 0.23 -0.55 8.41 9.22 1ytnA1 HIS 350 HA -0.03 0.28 1.18 -0.75 4.63 5.30 1ytnA1 HIS 350 HB2 -0.08 -0.00 -0.05 -0.04 3.26 3.08 1ytnA1 HIS 350 HB3 0.34 0.04 0.14 -0.04 3.20 3.67 1ytnA1 HIS 350 HD2 0.07 0.24 -0.22 -0.04 6.97 7.01 1ytnA1 HIS 350 HE1 0.19 -0.05 -0.09 -0.04 7.75 7.76 1ytnA1 VAL 351 H 0.13 0.45 0.17 -0.55 8.24 8.45 1ytnA1 VAL 351 HA -0.00 0.23 0.77 -0.75 4.13 4.37 1ytnA1 VAL 351 HB 0.24 -0.01 0.21 -0.04 2.12 2.53 1ytnA1 VAL 351 HG13 0.16 -0.05 -0.10 -0.04 0.97 0.93 1ytnA1 VAL 351 HG23 0.13 0.02 -0.08 -0.04 0.95 0.97 1ytnA1 GLY 352 H -0.31 0.40 0.10 -0.55 8.43 8.08 1ytnA1 GLY 352 HA2 -0.16 0.11 0.28 -0.51 4.01 3.73 1ytnA1 GLY 352 HA3 -0.20 0.06 0.33 -0.51 4.01 3.69 1ytnA1 ASN 353 H 0.05 0.14 -0.40 -0.55 8.53 7.77 1ytnA1 ASN 353 HA 0.11 0.16 1.12 -0.75 4.76 5.40 1ytnA1 ASN 353 HB2 0.05 0.03 0.16 -0.04 2.88 3.08 1ytnA1 ASN 353 HB3 0.04 0.02 -0.11 -0.04 2.79 2.70 1ytnA1 ASN 353 HD21 -0.00 0.35 0.14 -0.04 7.03 7.48 1ytnA1 ASN 353 HD22 0.01 -0.02 0.02 -0.04 7.74 7.72 1ytnA1 TRP 354 H 0.27 0.31 -0.22 -0.55 7.97 7.78 1ytnA1 TRP 354 HA 0.02 0.19 0.80 -0.75 4.62 4.87 1ytnA1 TRP 354 HB2 0.02 -0.03 -0.00 -0.04 3.23 3.17 1ytnA1 TRP 354 HB3 0.04 0.10 0.18 -0.04 3.23 3.50 1ytnA1 TRP 354 HD1 0.02 0.20 -0.20 -0.04 7.22 7.20 1ytnA1 TRP 354 HE1 0.01 0.15 -0.57 -0.04 10.20 9.76 1ytnA1 TRP 354 HE3 0.02 0.04 -0.02 -0.04 7.59 7.58 1ytnA1 TRP 354 HZ2 0.01 -0.01 0.11 -0.04 7.44 7.51 1ytnA1 TRP 354 HZ3 0.01 0.05 -0.06 -0.04 7.13 7.09 1ytnA1 TRP 354 HH2 0.01 0.03 -0.01 -0.04 7.19 7.19 1ytnA1 PRO 355 HA 0.13 -0.04 0.48 -0.51 4.44 4.49 1ytnA1 PRO 355 HB2 0.17 0.02 -0.10 -0.04 2.28 2.33 1ytnA1 PRO 355 HB3 0.11 0.05 0.03 -0.04 2.02 2.17 1ytnA1 PRO 355 HG2 0.11 0.07 0.01 -0.04 2.03 2.18 1ytnA1 PRO 355 HG3 0.12 0.03 -0.02 -0.04 2.03 2.13 1ytnA1 PRO 355 HD2 0.32 0.05 0.11 -0.04 3.68 4.12 1ytnA1 PRO 355 HD3 0.18 0.41 0.02 -0.04 3.65 4.22 1ytnA1 ASP 356 H 0.04 0.08 0.21 -0.55 8.40 8.19 1ytnA1 ASP 356 HA -0.11 -0.03 0.43 -0.75 4.63 4.17 1ytnA1 ASP 356 HB2 -0.04 -0.00 0.21 -0.04 2.71 2.83 1ytnA1 ASP 356 HB3 -0.03 0.08 0.12 -0.04 2.70 2.83 1ytnA1 GLN 357 H -0.08 -0.01 0.22 -0.55 8.47 8.06 1ytnA1 GLN 357 HA -0.02 -0.08 0.36 -0.75 4.36 3.87 1ytnA1 GLN 357 HB2 0.01 0.23 0.08 -0.04 2.15 2.43 1ytnA1 GLN 357 HB3 -0.00 -0.02 0.18 -0.04 2.02 2.14 1ytnA1 GLN 357 HG2 -0.06 -0.21 -0.22 -0.04 2.40 1.87 1ytnA1 GLN 357 HG3 -0.04 0.08 -0.16 -0.04 2.39 2.23 1ytnA1 GLN 357 HE21 -0.10 0.07 -0.01 -0.04 6.97 6.88 1ytnA1 GLN 357 HE22 -0.12 -0.06 -0.01 -0.04 7.69 7.46 1ytnA1 THR 358 H 0.11 0.24 -0.32 -0.55 8.28 7.76 1ytnA1 THR 358 HA 0.13 0.17 0.86 -0.75 4.39 4.80 1ytnA1 THR 358 HB 0.19 0.01 0.00 -0.04 4.32 4.49 1ytnA1 THR 358 HG23 0.10 0.02 -0.14 -0.04 1.22 1.15 1ytnA1 ALA 359 H 0.16 0.23 0.06 -0.55 8.40 8.31 1ytnA1 ALA 359 HA 0.55 0.13 0.79 -0.75 4.34 5.06 1ytnA1 ALA 359 HB3 0.12 -0.00 -0.13 -0.04 1.41 1.36 1ytnA1 VAL 360 H -0.53 0.12 0.05 -0.55 8.24 7.33 1ytnA1 VAL 360 HA -0.37 0.12 0.68 -0.75 4.13 3.80 1ytnA1 VAL 360 HB -0.52 -0.01 -0.02 -0.04 2.12 1.52 1ytnA1 VAL 360 HG13 -1.44 0.01 -0.03 -0.04 0.97 -0.52 1ytnA1 VAL 360 HG23 -1.11 0.02 -0.10 -0.04 0.95 -0.29 1ytnA1 SER 361 H -0.17 0.11 0.07 -0.55 8.46 7.92 1ytnA1 SER 361 HA -0.07 0.15 0.32 -0.75 4.49 4.14 1ytnA1 SER 361 HB2 -0.06 0.01 0.11 -0.04 3.95 3.97 1ytnA1 SER 361 HB3 -0.08 0.11 0.11 -0.04 3.93 4.03 1ytnA1 SER 362 H -0.05 0.19 0.15 -0.55 8.46 8.21 1ytnA1 SER 362 HA -0.03 0.14 0.29 -0.75 4.49 4.13 1ytnA1 SER 362 HB2 -0.04 -0.14 0.11 -0.04 3.95 3.84 1ytnA1 SER 362 HB3 -0.03 0.12 -0.08 -0.04 3.93 3.90 1ytnA1 GLU 363 H -0.05 0.11 -0.05 -0.55 8.60 8.07 1ytnA1 GLU 363 HA -0.04 0.13 0.51 -0.75 4.29 4.14 1ytnA1 GLU 363 HB2 -0.04 -0.06 0.08 -0.04 2.09 2.03 1ytnA1 GLU 363 HB3 -0.04 0.07 -0.07 -0.04 1.99 1.91 1ytnA1 GLU 363 HG2 -0.03 0.01 0.04 -0.04 2.34 2.31 1ytnA1 GLU 363 HG3 -0.03 0.04 0.02 -0.04 2.34 2.33 1ytnA1 VAL 364 H -0.09 0.06 -0.36 -0.55 8.24 7.30 1ytnA1 VAL 364 HA -0.08 0.23 0.36 -0.75 4.13 3.88 1ytnA1 VAL 364 HB -0.23 0.06 -0.11 -0.04 2.12 1.79 1ytnA1 VAL 364 HG13 -0.18 -0.01 -0.15 -0.04 0.97 0.59 1ytnA1 VAL 364 HG23 -0.13 -0.02 -0.12 -0.04 0.95 0.64 1ytnA1 THR 365 H -0.11 0.46 -0.32 -0.55 8.28 7.77 1ytnA1 THR 365 HA -0.09 -0.02 0.34 -0.75 4.39 3.87 1ytnA1 THR 365 HB -0.03 0.15 0.05 -0.04 4.32 4.46 1ytnA1 THR 365 HG23 0.05 -0.03 -0.16 -0.04 1.22 1.04 1ytnA1 LYS 366 H -0.03 0.64 0.01 -0.55 8.42 8.48 1ytnA1 LYS 366 HA -0.00 0.08 0.52 -0.75 4.32 4.17 1ytnA1 LYS 366 HB2 -0.01 0.03 0.04 -0.04 1.87 1.89 1ytnA1 LYS 366 HB3 -0.01 0.01 0.06 -0.04 1.79 1.80 1ytnA1 LYS 366 HG2 -0.03 -0.09 0.10 -0.04 1.46 1.40 1ytnA1 LYS 366 HG3 -0.02 0.05 0.12 -0.04 1.46 1.57 1ytnA1 LYS 366 HD2 -0.02 -0.04 0.00 -0.04 1.69 1.59 1ytnA1 LYS 366 HD3 -0.01 0.01 -0.08 -0.04 1.68 1.55 1ytnA1 LYS 366 HE2 -0.01 0.03 -0.03 -0.04 2.99 2.93 1ytnA1 LYS 366 HE3 -0.01 0.04 -0.03 -0.04 2.99 2.95 1ytnA1 ALA 367 H -0.03 0.41 -0.20 -0.55 8.40 8.03 1ytnA1 ALA 367 HA -0.01 0.03 0.33 -0.75 4.34 3.93 1ytnA1 ALA 367 HB3 -0.03 0.03 0.18 -0.04 1.41 1.54 1ytnA1 LEU 368 H -0.03 0.50 -0.29 -0.55 8.37 8.01 1ytnA1 LEU 368 HA 0.01 -0.01 0.31 -0.75 4.35 3.90 1ytnA1 LEU 368 HB2 -0.02 0.02 0.03 -0.04 1.64 1.63 1ytnA1 LEU 368 HB3 0.02 0.09 0.10 -0.04 1.64 1.80 1ytnA1 LEU 368 HG 0.09 0.03 -0.30 -0.04 1.64 1.42 1ytnA1 LEU 368 HD13 0.06 -0.02 -0.09 -0.04 0.93 0.83 1ytnA1 LEU 368 HD23 0.20 -0.03 -0.10 -0.04 0.89 0.92 1ytnA1 ALA 369 H 0.02 0.64 -0.10 -0.55 8.40 8.41 1ytnA1 ALA 369 HA 0.04 -0.02 0.37 -0.75 4.34 3.98 1ytnA1 ALA 369 HB3 0.02 0.05 0.03 -0.04 1.41 1.47 1ytnA1 SER 370 H 0.01 0.59 -0.22 -0.55 8.46 8.29 1ytnA1 SER 370 HA 0.01 0.00 0.30 -0.75 4.49 4.05 1ytnA1 SER 370 HB2 0.00 0.08 0.01 -0.04 3.95 4.01 1ytnA1 SER 370 HB3 0.00 -0.05 0.03 -0.04 3.93 3.87 1ytnA1 LEU 371 H 0.01 0.41 -0.21 -0.55 8.37 8.04 1ytnA1 LEU 371 HA 0.01 0.01 0.47 -0.75 4.35 4.09 1ytnA1 LEU 371 HB2 0.01 0.03 0.08 -0.04 1.64 1.72 1ytnA1 LEU 371 HB3 0.01 0.12 0.12 -0.04 1.64 1.86 1ytnA1 LEU 371 HG 0.02 0.01 -0.20 -0.04 1.64 1.43 1ytnA1 LEU 371 HD13 0.01 -0.01 0.02 -0.04 0.93 0.90 1ytnA1 LEU 371 HD23 0.01 -0.03 -0.11 -0.04 0.89 0.72 1ytnA1 VAL 372 H 0.02 0.49 -0.36 -0.55 8.24 7.85 1ytnA1 VAL 372 HA 0.02 0.05 0.40 -0.75 4.13 3.85 1ytnA1 VAL 372 HB 0.03 0.14 0.10 -0.04 2.12 2.35 1ytnA1 VAL 372 HG13 0.02 -0.01 -0.19 -0.04 0.97 0.75 1ytnA1 VAL 372 HG23 0.03 0.00 -0.09 -0.04 0.95 0.86 1ytnA1 ASP 373 H 0.02 0.52 0.06 -0.55 8.40 8.45 1ytnA1 ASP 373 HA 0.02 0.07 0.50 -0.75 4.63 4.47 1ytnA1 ASP 373 HB2 0.01 0.01 0.16 -0.04 2.71 2.86 1ytnA1 ASP 373 HB3 0.02 -0.01 0.02 -0.04 2.70 2.69 1ytnA1 GLN 374 H 0.01 0.72 -0.01 -0.55 8.47 8.65 1ytnA1 GLN 374 HA 0.01 -0.02 0.33 -0.75 4.36 3.92 1ytnA1 GLN 374 HB2 0.01 0.06 0.15 -0.04 2.15 2.33 1ytnA1 GLN 374 HB3 0.01 0.08 0.13 -0.04 2.02 2.20 1ytnA1 GLN 374 HG2 0.01 -0.01 -0.11 -0.04 2.40 2.25 1ytnA1 GLN 374 HG3 0.01 -0.04 0.04 -0.04 2.39 2.36 1ytnA1 GLN 374 HE21 0.00 -0.04 -0.04 -0.04 6.97 6.86 1ytnA1 GLN 374 HE22 0.00 0.01 0.00 -0.04 7.69 7.67 1ytnA1 THR 375 H 0.02 0.38 -0.40 -0.55 8.28 7.73 1ytnA1 THR 375 HA 0.01 -0.02 0.46 -0.75 4.39 4.09 1ytnA1 THR 375 HB 0.02 0.10 0.02 -0.04 4.32 4.43 1ytnA1 THR 375 HG23 0.03 0.01 -0.05 -0.04 1.22 1.16 1ytnA1 ALA 376 H 0.02 0.39 -0.25 -0.55 8.40 8.01 1ytnA1 ALA 376 HA 0.04 0.08 0.39 -0.75 4.34 4.09 1ytnA1 ALA 376 HB3 0.03 0.06 0.14 -0.04 1.41 1.59 1ytnA1 GLU 377 H 0.02 0.53 -0.00 -0.55 8.60 8.60 1ytnA1 GLU 377 HA 0.03 0.01 0.54 -0.75 4.29 4.12 1ytnA1 GLU 377 HB2 0.02 0.10 0.11 -0.04 2.09 2.27 1ytnA1 GLU 377 HB3 0.02 -0.04 -0.06 -0.04 1.99 1.87 1ytnA1 GLU 377 HG2 0.02 -0.02 0.05 -0.04 2.34 2.35 1ytnA1 GLU 377 HG3 0.02 0.05 0.04 -0.04 2.34 2.41 1ytnA1 THR 378 H 0.01 0.46 -0.10 -0.55 8.28 8.10 1ytnA1 THR 378 HA 0.00 -0.01 0.47 -0.75 4.39 4.11 1ytnA1 THR 378 HB 0.00 0.14 0.13 -0.04 4.32 4.55 1ytnA1 THR 378 HG23 -0.01 -0.02 -0.02 -0.04 1.22 1.13 1ytnA1 LYS 379 H 0.02 0.40 -0.35 -0.55 8.42 7.93 1ytnA1 LYS 379 HA -0.06 0.03 0.66 -0.75 4.32 4.20 1ytnA1 LYS 379 HB2 0.01 -0.02 0.17 -0.04 1.87 1.99 1ytnA1 LYS 379 HB3 0.05 0.19 0.31 -0.04 1.79 2.30 1ytnA1 LYS 379 HG2 0.11 0.16 0.09 -0.04 1.46 1.78 1ytnA1 LYS 379 HG3 -0.03 -0.11 -0.03 -0.04 1.46 1.24 1ytnA1 LYS 379 HD2 -0.11 -0.11 0.06 -0.04 1.69 1.49 1ytnA1 LYS 379 HD3 -0.01 0.01 0.04 -0.04 1.68 1.67 1ytnA1 LYS 379 HE2 -0.02 0.15 0.04 -0.04 2.99 3.12 1ytnA1 LYS 379 HE3 -0.56 -0.12 0.03 -0.04 2.99 2.30 1ytnA1 ARG 380 H 0.06 0.61 0.21 -0.55 8.46 8.79 1ytnA1 ARG 380 HA 0.20 0.07 0.51 -0.75 4.34 4.36 1ytnA1 ARG 380 HB2 0.06 0.04 0.26 -0.04 1.90 2.22 1ytnA1 ARG 380 HB3 0.06 -0.04 0.05 -0.04 1.80 1.82 1ytnA1 ARG 380 HG2 0.05 -0.02 0.07 -0.04 1.67 1.73 1ytnA1 ARG 380 HG3 0.08 0.06 0.12 -0.04 1.67 1.89 1ytnA1 ARG 380 HD2 0.04 -0.01 -0.09 -0.04 3.22 3.12 1ytnA1 ARG 380 HD3 0.03 -0.09 0.02 -0.04 3.22 3.15 1ytnA1 ASN 381 H 0.03 0.75 -0.09 -0.55 8.53 8.68 1ytnA1 ASN 381 HA 0.03 -0.04 0.35 -0.75 4.76 4.34 1ytnA1 ASN 381 HB2 0.01 -0.00 0.12 -0.04 2.88 2.97 1ytnA1 ASN 381 HB3 0.00 0.17 0.09 -0.04 2.79 3.01 1ytnA1 ASN 381 HD21 -0.00 -0.06 -0.06 -0.04 7.03 6.87 1ytnA1 ASN 381 HD22 -0.01 0.09 -0.14 -0.04 7.74 7.65 1ytnA1 MET 382 H -0.03 0.34 -0.47 -0.55 8.47 7.77 1ytnA1 MET 382 HA -0.05 -0.01 0.54 -0.75 4.52 4.24 1ytnA1 MET 382 HB2 -0.10 0.09 0.19 -0.04 2.15 2.29 1ytnA1 MET 382 HB3 -0.25 0.24 0.21 -0.04 2.03 2.19 1ytnA1 MET 382 HG2 -0.10 -0.07 0.05 -0.04 2.63 2.47 1ytnA1 MET 382 HG3 -0.15 -0.03 0.02 -0.04 2.56 2.36 1ytnA1 MET 382 HE3 -0.98 0.01 -0.05 -0.04 2.10 1.04 1ytnA1 TYR 383 H 0.00 0.51 -0.02 -0.55 8.29 8.24 1ytnA1 TYR 383 HA 0.01 0.02 0.46 -0.75 4.56 4.30 1ytnA1 TYR 383 HB2 0.01 0.17 0.18 -0.04 3.06 3.38 1ytnA1 TYR 383 HB3 0.01 -0.15 0.02 -0.04 2.98 2.82 1ytnA1 TYR 383 HD2 0.01 -0.03 0.03 -0.04 7.15 7.12 1ytnA1 TYR 383 HE2 0.01 0.05 -0.05 -0.04 6.85 6.83 1ytnA1 GLU 384 H 0.10 0.65 -0.11 -0.55 8.60 8.70 1ytnA1 GLU 384 HA 0.07 0.03 0.39 -0.75 4.29 4.03 1ytnA1 GLU 384 HB2 0.06 0.13 0.07 -0.04 2.09 2.30 1ytnA1 GLU 384 HB3 0.03 0.05 0.16 -0.04 1.99 2.19 1ytnA1 GLU 384 HG2 0.03 -0.04 0.01 -0.04 2.34 2.30 1ytnA1 GLU 384 HG3 0.03 0.01 0.02 -0.04 2.34 2.37 1ytnA1 SER 385 H 0.02 0.64 -0.06 -0.55 8.46 8.51 1ytnA1 SER 385 HA 0.02 -0.01 0.17 -0.75 4.49 3.91 1ytnA1 SER 385 HB2 0.01 -0.08 0.16 -0.04 3.95 3.99 1ytnA1 SER 385 HB3 0.01 0.00 0.15 -0.04 3.93 4.05 1ytnA1 LYS 386 H 0.04 0.18 -1.26 -0.55 8.42 6.83 1ytnA1 LYS 386 HA 0.02 0.10 0.91 -0.75 4.32 4.60 1ytnA1 LYS 386 HB2 0.07 0.11 0.16 -0.04 1.87 2.17 1ytnA1 LYS 386 HB3 0.06 -0.12 0.08 -0.04 1.79 1.77 1ytnA1 LYS 386 HG2 -0.01 0.07 -0.05 -0.04 1.46 1.42 1ytnA1 LYS 386 HG3 -0.01 -0.06 0.01 -0.04 1.46 1.36 1ytnA1 LYS 386 HD2 0.02 -0.06 0.08 -0.04 1.69 1.68 1ytnA1 LYS 386 HD3 0.01 0.05 0.14 -0.04 1.68 1.84 1ytnA1 LYS 386 HE2 -0.01 -0.04 0.01 -0.04 2.99 2.92 1ytnA1 LYS 386 HE3 0.00 -0.06 0.03 -0.04 2.99 2.92 1ytnA1 GLY 387 H 0.04 0.71 0.11 -0.55 8.43 8.74 1ytnA1 GLY 387 HA2 0.03 0.02 0.33 -0.51 4.01 3.87 1ytnA1 GLY 387 HA3 0.03 -0.00 0.33 -0.51 4.01 3.85 1ytnA1 SER 388 H 0.09 0.44 -0.10 -0.55 8.46 8.34 1ytnA1 SER 388 HA 0.03 0.02 0.47 -0.75 4.49 4.26 1ytnA1 SER 388 HB2 0.16 0.08 0.11 -0.04 3.95 4.25 1ytnA1 SER 388 HB3 0.11 0.04 0.08 -0.04 3.93 4.12 1ytnA1 SER 389 H -0.00 0.16 0.24 -0.55 8.46 8.31 1ytnA1 SER 389 HA -0.01 0.15 0.63 -0.75 4.49 4.51 1ytnA1 SER 389 HB2 -0.01 -0.03 0.14 -0.04 3.95 4.00 1ytnA1 SER 389 HB3 -0.01 0.07 0.16 -0.04 3.93 4.12 1ytnA1 ALA 390 H -0.06 0.10 -0.27 -0.55 8.40 7.62 1ytnA1 ALA 390 HA -0.06 0.02 0.35 -0.75 4.34 3.89 1ytnA1 ALA 390 HB3 -0.17 0.03 -0.01 -0.04 1.41 1.22 1ytnA1 VAL 391 H -0.03 0.14 -0.81 -0.55 8.24 6.99 1ytnA1 VAL 391 HA -0.02 0.15 0.43 -0.75 4.13 3.94 1ytnA1 VAL 391 HB 0.00 -0.03 -0.11 -0.04 2.12 1.95 1ytnA1 VAL 391 HG13 0.02 -0.01 -0.03 -0.04 0.97 0.91 1ytnA1 VAL 391 HG23 0.03 0.09 -0.08 -0.04 0.95 0.95 1ytnA1 ALA 392 H -0.02 0.26 -0.13 -0.55 8.40 7.96 1ytnA1 ALA 392 HA -0.01 0.02 0.48 -0.75 4.34 4.08 1ytnA1 ALA 392 HB3 -0.01 -0.03 0.13 -0.04 1.41 1.46 1ytnA1 ASP 393 H -0.03 0.16 -0.07 -0.55 8.40 7.92 1ytnA1 ASP 393 HA -0.04 -0.09 0.37 -0.75 4.63 4.11 1ytnA1 ASP 393 HB2 -0.03 -0.00 0.10 -0.04 2.71 2.73 1ytnA1 ASP 393 HB3 -0.04 0.14 0.07 -0.04 2.70 2.82 1ytnA1 ASP 394 H -0.05 0.04 0.15 -0.55 8.40 7.99 1ytnA1 ASP 394 HA -0.04 0.29 0.60 -0.75 4.63 4.72 1ytnA1 ASP 394 HB2 -0.06 -0.09 0.08 -0.04 2.71 2.59 1ytnA1 ASP 394 HB3 -0.08 0.02 0.05 -0.04 2.70 2.65 1ytnA1 SER 395 H -0.08 -0.02 -0.13 -0.55 8.46 7.69 1ytnA1 SER 395 HA -0.28 0.22 0.84 -0.75 4.49 4.51 1ytnA1 SER 395 HB2 -0.18 0.03 0.09 -0.04 3.95 3.84 1ytnA1 SER 395 HB3 -0.21 -0.04 0.02 -0.04 3.93 3.67 1ytnA1 LYS 396 H -0.04 0.06 -0.30 -0.55 8.42 7.59 1ytnA1 LYS 396 HA 0.01 0.15 0.87 -0.75 4.32 4.59 1ytnA1 LYS 396 HB2 -0.05 0.16 0.04 -0.04 1.87 1.98 1ytnA1 LYS 396 HB3 -0.07 0.04 0.11 -0.04 1.79 1.83 1ytnA1 LYS 396 HG2 -0.02 0.13 -0.01 -0.04 1.46 1.52 1ytnA1 LYS 396 HG3 -0.03 -0.21 -0.20 -0.04 1.46 0.98 1ytnA1 LYS 396 HD2 -0.06 -0.13 0.01 -0.04 1.69 1.48 1ytnA1 LYS 396 HD3 -0.08 0.05 -0.03 -0.04 1.68 1.58 1ytnA1 LYS 396 HE2 -0.04 -0.14 0.00 -0.04 2.99 2.78 1ytnA1 LYS 396 HE3 -0.03 0.33 0.09 -0.04 2.99 3.33 1ytnA1 LEU 397 H -0.04 0.68 0.19 -0.55 8.37 8.64 1ytnA1 LEU 397 HA -0.01 0.13 0.30 -0.75 4.35 4.02 1ytnA1 LEU 397 HB2 -0.02 0.19 -0.19 -0.04 1.64 1.58 1ytnA1 LEU 397 HB3 0.02 -0.11 0.21 -0.04 1.64 1.71 1ytnA1 LEU 397 HG -0.12 -0.02 -0.14 -0.04 1.64 1.31 1ytnA1 LEU 397 HD13 -0.01 -0.03 -0.10 -0.04 0.93 0.75 1ytnA1 LEU 397 HD23 -0.12 0.04 0.06 -0.04 0.89 0.84 1ytnA1 ARG 398 H 0.02 0.08 -0.27 -0.55 8.46 7.73 1ytnA1 ARG 398 HA 0.03 0.32 1.03 -0.75 4.34 4.97 1ytnA1 ARG 398 HB2 0.06 -0.13 -0.28 -0.04 1.90 1.52 1ytnA1 ARG 398 HB3 0.05 0.01 -0.13 -0.04 1.80 1.69 1ytnA1 ARG 398 HG2 0.03 0.11 -0.32 -0.04 1.67 1.45 1ytnA1 ARG 398 HG3 0.06 -0.02 -0.55 -0.04 1.67 1.12 1ytnA1 ARG 398 HD2 0.24 -0.10 -0.24 -0.04 3.22 3.09 1ytnA1 ARG 398 HD3 0.10 0.04 -0.25 -0.04 3.22 3.07 1ytnA1 PRO 399 HA 0.02 0.12 0.51 -0.51 4.44 4.58 1ytnA1 PRO 399 HB2 0.02 -0.11 0.09 -0.04 2.28 2.25 1ytnA1 PRO 399 HB3 0.02 -0.00 0.01 -0.04 2.02 2.01 1ytnA1 PRO 399 HG2 0.03 -0.02 0.07 -0.04 2.03 2.06 1ytnA1 PRO 399 HG3 0.03 0.04 0.06 -0.04 2.03 2.11 1ytnA1 PRO 399 HD2 0.03 0.30 0.44 -0.04 3.68 4.40 1ytnA1 PRO 399 HD3 0.03 0.28 0.30 -0.04 3.65 4.22 1ytnA1 VAL 400 H 0.01 0.45 0.38 -0.55 8.24 8.53 1ytnA1 VAL 400 HA 0.00 0.25 0.90 -0.75 4.13 4.53 1ytnA1 VAL 400 HB -0.01 -0.07 0.18 -0.04 2.12 2.18 1ytnA1 VAL 400 HG13 0.01 -0.02 -0.21 -0.04 0.97 0.70 1ytnA1 VAL 400 HG23 -0.04 0.03 -0.05 -0.04 0.95 0.85 1ytnA1 ILE 401 H 0.02 0.64 0.36 -0.55 8.25 8.71 1ytnA1 ILE 401 HA -0.03 0.33 1.33 -0.75 4.18 5.06 1ytnA1 ILE 401 HB 0.01 -0.01 0.02 -0.04 1.89 1.87 1ytnA1 ILE 401 HG12 0.02 -0.06 -0.14 -0.04 1.49 1.26 1ytnA1 ILE 401 HG13 0.00 0.07 -0.50 -0.04 1.21 0.75 1ytnA1 ILE 401 HG23 -0.01 -0.05 -0.23 -0.04 0.93 0.59 1ytnA1 ILE 401 HD13 0.02 0.03 -0.18 -0.04 0.88 0.72 1ytnA1 HIS 402 H -0.16 0.55 0.32 -0.55 8.41 8.58 1ytnA1 HIS 402 HA -0.05 0.05 0.58 -0.75 4.63 4.46 1ytnA1 HIS 402 HB2 -0.06 0.05 -0.26 -0.04 3.26 2.96 1ytnA1 HIS 402 HB3 -0.04 0.11 -0.39 -0.04 3.20 2.83 1ytnA1 HIS 402 HD2 -0.01 0.05 -0.21 -0.04 6.97 6.75 1ytnA1 HIS 402 HE1 -1.13 -0.02 -0.06 -0.04 7.75 6.51 1ytnA1 CYS 403 H 0.11 0.15 -0.02 -0.55 8.50 8.19 1ytnA1 CYS 403 HA 0.02 0.10 0.76 -0.75 4.58 4.72 1ytnA1 CYS 403 HB2 -0.09 0.05 0.16 -0.04 2.97 3.05 1ytnA1 CYS 403 HB3 -0.15 0.14 -0.05 -0.04 2.97 2.87 1ytnA1 ARG 404 H 0.02 -0.06 0.20 -0.55 8.46 8.06 1ytnA1 ARG 404 HA 0.16 0.34 0.84 -0.75 4.34 4.92 1ytnA1 ARG 404 HB2 0.01 -0.04 0.19 -0.04 1.90 2.02 1ytnA1 ARG 404 HB3 0.05 -0.14 0.25 -0.04 1.80 1.92 1ytnA1 ARG 404 HG2 0.04 0.12 0.02 -0.04 1.67 1.81 1ytnA1 ARG 404 HG3 -0.04 0.04 0.05 -0.04 1.67 1.69 1ytnA1 ARG 404 HD2 -0.17 -0.05 0.05 -0.04 3.22 3.00 1ytnA1 ARG 404 HD3 0.07 -0.04 0.01 -0.04 3.22 3.21 1ytnA1 ALA 405 H 0.07 -0.07 0.24 -0.55 8.40 8.10 1ytnA1 ALA 405 HA 0.05 0.36 0.89 -0.75 4.34 4.90 1ytnA1 ALA 405 HB3 0.25 0.01 0.10 -0.04 1.41 1.73 1ytnA1 GLY 406 H 0.02 -0.27 0.00 -0.55 8.43 7.63 1ytnA1 GLY 406 HA2 0.01 -0.20 0.36 -0.51 4.01 3.67 1ytnA1 GLY 406 HA3 0.01 0.65 0.41 -0.51 4.01 4.57 1ytnA1 VAL 407 H -0.01 -0.23 -0.13 -0.55 8.24 7.32 1ytnA1 VAL 407 HA -0.00 0.36 0.74 -0.75 4.13 4.47 1ytnA1 VAL 407 HB 0.00 0.13 -0.36 -0.04 2.12 1.84 1ytnA1 VAL 407 HG13 0.02 0.08 -0.36 -0.04 0.97 0.66 1ytnA1 VAL 407 HG23 -0.01 -0.06 -0.23 -0.04 0.95 0.61 1ytnA1 GLY 408 H -0.06 -0.21 0.11 -0.55 8.43 7.72 1ytnA1 GLY 408 HA2 -0.05 0.15 0.84 -0.51 4.01 4.45 1ytnA1 GLY 408 HA3 -0.10 0.03 0.45 -0.51 4.01 3.89 1ytnA1 ARG 409 H -0.29 0.04 0.21 -0.55 8.46 7.87 1ytnA1 ARG 409 HA -0.69 0.17 0.35 -0.75 4.34 3.42 1ytnA1 ARG 409 HB2 -0.59 -0.15 0.17 -0.04 1.90 1.29 1ytnA1 ARG 409 HB3 -1.45 0.13 0.05 -0.04 1.80 0.50 1ytnA1 ARG 409 HG2 -2.69 0.12 0.04 -0.04 1.67 -0.89 1ytnA1 ARG 409 HG3 -0.71 -0.17 0.10 -0.04 1.67 0.86 1ytnA1 ARG 409 HD2 -0.89 0.22 0.05 -0.04 3.22 2.56 1ytnA1 ARG 409 HD3 -0.77 0.24 -0.29 -0.04 3.22 2.35 1ytnA1 THR 410 H -0.16 -0.16 -0.29 -0.55 8.28 7.12 1ytnA1 THR 410 HA -0.06 0.13 0.14 -0.75 4.39 3.85 1ytnA1 THR 410 HB -0.04 -0.17 -0.33 -0.04 4.32 3.75 1ytnA1 THR 410 HG23 0.00 0.08 -0.32 -0.04 1.22 0.94 1ytnA1 ALA 411 H -0.04 0.01 -0.63 -0.55 8.40 7.20 1ytnA1 ALA 411 HA 0.02 0.15 0.31 -0.75 4.34 4.06 1ytnA1 ALA 411 HB3 0.01 0.04 0.02 -0.04 1.41 1.44 1ytnA1 GLN 412 H 0.03 0.29 -0.09 -0.55 8.47 8.16 1ytnA1 GLN 412 HA 0.09 0.05 0.34 -0.75 4.36 4.09 1ytnA1 GLN 412 HB2 0.16 -0.07 0.10 -0.04 2.15 2.30 1ytnA1 GLN 412 HB3 0.22 0.10 0.11 -0.04 2.02 2.42 1ytnA1 GLN 412 HG2 0.38 0.04 -0.26 -0.04 2.40 2.52 1ytnA1 GLN 412 HG3 0.17 0.01 -0.04 -0.04 2.39 2.49 1ytnA1 GLN 412 HE21 0.08 0.13 0.08 -0.04 6.97 7.21 1ytnA1 GLN 412 HE22 0.08 0.02 -0.07 -0.04 7.69 7.69 1ytnA1 LEU 413 H 0.12 0.33 -0.33 -0.55 8.37 7.94 1ytnA1 LEU 413 HA 0.15 0.04 0.39 -0.75 4.35 4.17 1ytnA1 LEU 413 HB2 0.20 -0.04 0.02 -0.04 1.64 1.77 1ytnA1 LEU 413 HB3 0.07 0.10 0.05 -0.04 1.64 1.82 1ytnA1 LEU 413 HG 0.07 0.04 -0.26 -0.04 1.64 1.44 1ytnA1 LEU 413 HD13 0.11 -0.01 -0.06 -0.04 0.93 0.93 1ytnA1 LEU 413 HD23 0.08 0.00 -0.14 -0.04 0.89 0.79 1ytnA1 ILE 414 H 0.05 0.61 -0.07 -0.55 8.25 8.28 1ytnA1 ILE 414 HA 0.04 0.01 0.30 -0.75 4.18 3.77 1ytnA1 ILE 414 HB 0.03 0.07 0.14 -0.04 1.89 2.08 1ytnA1 ILE 414 HG12 0.03 0.01 -0.06 -0.04 1.49 1.42 1ytnA1 ILE 414 HG13 0.03 0.04 0.01 -0.04 1.21 1.25 1ytnA1 ILE 414 HG23 0.03 0.00 -0.20 -0.04 0.93 0.72 1ytnA1 ILE 414 HD13 0.02 -0.02 -0.16 -0.04 0.88 0.68 1ytnA1 GLY 415 H 0.05 0.60 -0.23 -0.55 8.43 8.31 1ytnA1 GLY 415 HA2 0.03 0.06 0.40 -0.51 4.01 3.99 1ytnA1 GLY 415 HA3 0.04 -0.01 0.23 -0.51 4.01 3.77 1ytnA1 ALA 416 H 0.06 0.44 -0.38 -0.55 8.40 7.97 1ytnA1 ALA 416 HA 0.03 0.13 0.74 -0.75 4.34 4.49 1ytnA1 ALA 416 HB3 0.04 -0.01 0.02 -0.04 1.41 1.43 1ytnA1 MET 417 H 0.04 0.39 -0.09 -0.55 8.47 8.27 1ytnA1 MET 417 HA 0.03 0.04 0.44 -0.75 4.52 4.27 1ytnA1 MET 417 HB2 0.03 0.08 0.11 -0.04 2.15 2.33 1ytnA1 MET 417 HB3 0.03 0.02 -0.01 -0.04 2.03 2.03 1ytnA1 MET 417 HG2 0.03 -0.01 -0.00 -0.04 2.63 2.61 1ytnA1 MET 417 HG3 0.04 0.09 -0.04 -0.04 2.56 2.62 1ytnA1 MET 417 HE3 0.03 0.01 -0.10 -0.04 2.10 1.99 1ytnA1 CYS 418 H 0.03 0.46 -0.15 -0.55 8.50 8.29 1ytnA1 CYS 418 HA 0.02 0.01 0.32 -0.75 4.58 4.17 1ytnA1 CYS 418 HB2 0.02 0.00 0.11 -0.04 2.97 3.06 1ytnA1 CYS 418 HB3 0.03 0.09 0.17 -0.04 2.97 3.22 1ytnA1 MET 419 H 0.02 0.16 -0.60 -0.55 8.47 7.50 1ytnA1 MET 419 HA 0.02 0.15 0.33 -0.75 4.52 4.27 1ytnA1 MET 419 HB2 0.02 0.03 0.03 -0.04 2.15 2.18 1ytnA1 MET 419 HB3 0.01 -0.04 0.05 -0.04 2.03 2.01 1ytnA1 MET 419 HG2 0.02 0.00 -0.07 -0.04 2.63 2.55 1ytnA1 MET 419 HG3 0.03 0.47 0.16 -0.04 2.56 3.17 1ytnA1 MET 419 HE3 0.03 0.02 0.01 -0.04 2.10 2.12 1ytnA1 ASN 420 H 0.02 0.38 -0.64 -0.55 8.53 7.75 1ytnA1 ASN 420 HA 0.01 0.06 0.57 -0.75 4.76 4.65 1ytnA1 ASN 420 HB2 0.02 0.15 0.13 -0.04 2.88 3.13 1ytnA1 ASN 420 HB3 0.01 -0.08 -0.08 -0.04 2.79 2.60 1ytnA1 ASN 420 HD21 0.01 -0.07 -0.05 -0.04 7.03 6.88 1ytnA1 ASN 420 HD22 0.01 -0.02 -0.08 -0.04 7.74 7.62 1ytnA1 ASP 421 H 0.01 0.38 -0.31 -0.55 8.40 7.94 1ytnA1 ASP 421 HA 0.01 0.04 0.74 -0.75 4.63 4.66 1ytnA1 ASP 421 HB2 0.01 0.16 0.13 -0.04 2.71 2.97 1ytnA1 ASP 421 HB3 0.01 -0.03 0.18 -0.04 2.70 2.83 1ytnA1 SER 422 H 0.01 0.20 0.12 -0.55 8.46 8.25 1ytnA1 SER 422 HA 0.01 0.14 0.33 -0.75 4.49 4.21 1ytnA1 SER 422 HB2 0.01 0.01 -0.00 -0.04 3.95 3.93 1ytnA1 SER 422 HB3 0.01 0.05 0.08 -0.04 3.93 4.03 1ytnA1 ARG 423 H 0.01 0.03 -0.20 -0.55 8.46 7.74 1ytnA1 ARG 423 HA 0.01 0.09 0.41 -0.75 4.34 4.09 1ytnA1 ARG 423 HB2 0.01 -0.02 0.06 -0.04 1.90 1.90 1ytnA1 ARG 423 HB3 0.01 0.03 0.03 -0.04 1.80 1.83 1ytnA1 ARG 423 HG2 0.01 0.02 0.04 -0.04 1.67 1.70 1ytnA1 ARG 423 HG3 0.01 -0.07 0.04 -0.04 1.67 1.61 1ytnA1 ARG 423 HD2 0.00 0.04 0.02 -0.04 3.22 3.24 1ytnA1 ARG 423 HD3 0.01 0.01 0.02 -0.04 3.22 3.22 1ytnA1 ASN 424 H 0.01 0.26 -0.49 -0.55 8.53 7.76 1ytnA1 ASN 424 HA 0.01 0.04 0.44 -0.75 4.76 4.49 1ytnA1 ASN 424 HB2 0.01 0.31 0.19 -0.04 2.88 3.35 1ytnA1 ASN 424 HB3 0.02 -0.07 0.18 -0.04 2.79 2.88 1ytnA1 ASN 424 HD21 0.02 -0.10 0.18 -0.04 7.03 7.08 1ytnA1 ASN 424 HD22 0.02 0.53 0.30 -0.04 7.74 8.54 1ytnA1 SER 425 H 0.01 0.37 -0.72 -0.55 8.46 7.57 1ytnA1 SER 425 HA 0.01 0.12 0.61 -0.75 4.49 4.47 1ytnA1 SER 425 HB2 0.01 0.18 0.13 -0.04 3.95 4.23 1ytnA1 SER 425 HB3 0.01 -0.07 -0.01 -0.04 3.93 3.82 1ytnA1 GLN 426 H 0.02 0.18 0.12 -0.55 8.47 8.25 1ytnA1 GLN 426 HA 0.02 0.03 0.34 -0.75 4.36 3.99 1ytnA1 GLN 426 HB2 0.01 0.25 -0.00 -0.04 2.15 2.37 1ytnA1 GLN 426 HB3 0.01 -0.07 0.05 -0.04 2.02 1.97 1ytnA1 GLN 426 HG2 0.01 -0.01 -0.24 -0.04 2.40 2.12 1ytnA1 GLN 426 HG3 0.01 -0.02 -0.05 -0.04 2.39 2.29 1ytnA1 GLN 426 HE21 0.02 0.08 0.05 -0.04 6.97 7.07 1ytnA1 GLN 426 HE22 0.01 -0.02 0.01 -0.04 7.69 7.65 1ytnA1 LEU 427 H 0.02 0.32 -0.76 -0.55 8.37 7.40 1ytnA1 LEU 427 HA 0.01 -0.09 0.35 -0.75 4.35 3.87 1ytnA1 LEU 427 HB2 0.01 0.02 -0.01 -0.04 1.64 1.62 1ytnA1 LEU 427 HB3 0.02 0.15 0.06 -0.04 1.64 1.83 1ytnA1 LEU 427 HG 0.02 0.08 -0.18 -0.04 1.64 1.51 1ytnA1 LEU 427 HD13 0.01 -0.03 -0.06 -0.04 0.93 0.81 1ytnA1 LEU 427 HD23 0.02 -0.01 -0.12 -0.04 0.89 0.74 1ytnA1 SER 428 H 0.02 -0.03 0.16 -0.55 8.46 8.07 1ytnA1 SER 428 HA 0.04 0.32 0.58 -0.75 4.49 4.67 1ytnA1 SER 428 HB2 0.02 0.01 -0.43 -0.04 3.95 3.51 1ytnA1 SER 428 HB3 0.02 0.09 -0.08 -0.04 3.93 3.91 1ytnA1 VAL 429 H 0.04 0.52 0.36 -0.55 8.24 8.61 1ytnA1 VAL 429 HA 0.04 0.08 0.47 -0.75 4.13 3.96 1ytnA1 VAL 429 HB 0.05 0.01 0.19 -0.04 2.12 2.32 1ytnA1 VAL 429 HG13 0.04 -0.02 -0.07 -0.04 0.97 0.88 1ytnA1 VAL 429 HG23 0.07 0.07 0.01 -0.04 0.95 1.06 1ytnA1 GLU 430 H 0.02 0.75 0.11 -0.55 8.60 8.93 1ytnA1 GLU 430 HA 0.02 0.04 0.33 -0.75 4.29 3.93 1ytnA1 GLU 430 HB2 0.01 0.08 0.23 -0.04 2.09 2.38 1ytnA1 GLU 430 HB3 0.01 -0.08 0.07 -0.04 1.99 1.96 1ytnA1 GLU 430 HG2 0.01 0.04 -0.20 -0.04 2.34 2.15 1ytnA1 GLU 430 HG3 0.01 0.02 0.04 -0.04 2.34 2.37 1ytnA1 ASP 431 H 0.02 0.11 -0.35 -0.55 8.40 7.63 1ytnA1 ASP 431 HA 0.01 0.06 0.37 -0.75 4.63 4.32 1ytnA1 ASP 431 HB2 0.02 0.06 0.02 -0.04 2.71 2.77 1ytnA1 ASP 431 HB3 0.01 0.05 -0.14 -0.04 2.70 2.58 1ytnA1 MET 432 H 0.02 0.44 -0.26 -0.55 8.47 8.12 1ytnA1 MET 432 HA 0.02 -0.01 0.35 -0.75 4.52 4.13 1ytnA1 MET 432 HB2 0.03 0.27 0.10 -0.04 2.15 2.51 1ytnA1 MET 432 HB3 0.03 0.07 0.21 -0.04 2.03 2.30 1ytnA1 MET 432 HG2 0.03 -0.08 -0.08 -0.04 2.63 2.46 1ytnA1 MET 432 HG3 0.03 -0.00 -0.01 -0.04 2.56 2.53 1ytnA1 MET 432 HE3 0.03 0.02 -0.14 -0.04 2.10 1.97 1ytnA1 VAL 433 H 0.02 0.73 -0.13 -0.55 8.24 8.31 1ytnA1 VAL 433 HA 0.02 -0.03 0.22 -0.75 4.13 3.59 1ytnA1 VAL 433 HB 0.02 0.07 0.07 -0.04 2.12 2.24 1ytnA1 VAL 433 HG13 0.02 -0.00 -0.06 -0.04 0.97 0.89 1ytnA1 VAL 433 HG23 0.03 -0.01 -0.03 -0.04 0.95 0.90 1ytnA1 SER 434 H 0.02 0.46 -0.20 -0.55 8.46 8.18 1ytnA1 SER 434 HA 0.02 0.01 0.32 -0.75 4.49 4.09 1ytnA1 SER 434 HB2 0.01 0.04 0.19 -0.04 3.95 4.15 1ytnA1 SER 434 HB3 0.01 -0.04 0.04 -0.04 3.93 3.90 1ytnA1 GLN 435 H 0.02 0.58 -0.20 -0.55 8.47 8.33 1ytnA1 GLN 435 HA 0.01 0.06 0.45 -0.75 4.36 4.13 1ytnA1 GLN 435 HB2 0.02 0.03 0.14 -0.04 2.15 2.30 1ytnA1 GLN 435 HB3 0.01 0.10 0.09 -0.04 2.02 2.18 1ytnA1 GLN 435 HG2 0.01 -0.04 -0.01 -0.04 2.40 2.32 1ytnA1 GLN 435 HG3 0.01 0.21 0.07 -0.04 2.39 2.64 1ytnA1 GLN 435 HE21 0.01 -0.05 -0.01 -0.04 6.97 6.88 1ytnA1 GLN 435 HE22 0.01 -0.04 -0.02 -0.04 7.69 7.60 1ytnA1 MET 436 H 0.02 0.41 -0.09 -0.55 8.47 8.27 1ytnA1 MET 436 HA 0.03 0.04 0.32 -0.75 4.52 4.16 1ytnA1 MET 436 HB2 0.02 0.12 0.10 -0.04 2.15 2.36 1ytnA1 MET 436 HB3 0.02 -0.10 0.00 -0.04 2.03 1.92 1ytnA1 MET 436 HG2 0.03 -0.02 -0.06 -0.04 2.63 2.53 1ytnA1 MET 436 HG3 0.02 0.32 0.00 -0.04 2.56 2.87 1ytnA1 MET 436 HE3 0.03 0.00 -0.23 -0.04 2.10 1.87 1ytnA1 ARG 437 H 0.02 0.55 -0.15 -0.55 8.46 8.34 1ytnA1 ARG 437 HA 0.04 0.14 0.32 -0.75 4.34 4.08 1ytnA1 ARG 437 HB2 0.03 0.13 0.05 -0.04 1.90 2.06 1ytnA1 ARG 437 HB3 0.03 -0.04 -0.23 -0.04 1.80 1.52 1ytnA1 ARG 437 HG2 0.03 -0.20 0.08 -0.04 1.67 1.54 1ytnA1 ARG 437 HG3 0.03 -0.03 0.03 -0.04 1.67 1.66 1ytnA1 ARG 437 HD2 0.02 -0.06 -0.11 -0.04 3.22 3.04 1ytnA1 ARG 437 HD3 0.02 -0.03 -0.03 -0.04 3.22 3.15 1ytnA1 VAL 438 H 0.02 0.49 -0.20 -0.55 8.24 8.00 1ytnA1 VAL 438 HA 0.01 0.07 0.72 -0.75 4.13 4.18 1ytnA1 VAL 438 HB 0.01 0.12 0.17 -0.04 2.12 2.38 1ytnA1 VAL 438 HG13 -0.01 -0.02 -0.05 -0.04 0.97 0.86 1ytnA1 VAL 438 HG23 0.01 -0.02 0.03 -0.04 0.95 0.92 1ytnA1 GLN 439 H 0.02 0.39 -0.30 -0.55 8.47 8.04 1ytnA1 GLN 439 HA 0.01 0.12 0.71 -0.75 4.36 4.44 1ytnA1 GLN 439 HB2 0.03 -0.02 0.07 -0.04 2.15 2.19 1ytnA1 GLN 439 HB3 0.03 0.07 0.19 -0.04 2.02 2.28 1ytnA1 GLN 439 HG2 0.01 -0.04 -0.03 -0.04 2.40 2.30 1ytnA1 GLN 439 HG3 0.01 0.05 0.04 -0.04 2.39 2.46 1ytnA1 GLN 439 HE21 0.02 0.58 0.12 -0.04 6.97 7.64 1ytnA1 GLN 439 HE22 0.01 -0.10 0.07 -0.04 7.69 7.64 1ytnA1 ARG 440 H 0.04 0.17 -0.17 -0.55 8.46 7.95 1ytnA1 ARG 440 HA 0.05 0.10 0.66 -0.75 4.34 4.39 1ytnA1 ARG 440 HB2 0.03 0.02 -0.02 -0.04 1.90 1.89 1ytnA1 ARG 440 HB3 0.04 -0.09 0.09 -0.04 1.80 1.80 1ytnA1 ARG 440 HG2 0.04 0.03 -0.25 -0.04 1.67 1.44 1ytnA1 ARG 440 HG3 0.03 -0.02 -0.02 -0.04 1.67 1.62 1ytnA1 ARG 440 HD2 0.01 -0.01 -0.08 -0.04 3.22 3.09 1ytnA1 ARG 440 HD3 0.01 -0.07 -0.05 -0.04 3.22 3.07 1ytnA1 ASN 441 H 0.07 0.28 0.25 -0.55 8.53 8.58 1ytnA1 ASN 441 HA 0.25 0.19 0.33 -0.75 4.76 4.77 1ytnA1 ASN 441 HB2 0.01 -0.08 0.13 -0.04 2.88 2.91 1ytnA1 ASN 441 HB3 0.09 0.38 0.16 -0.04 2.79 3.38 1ytnA1 ASN 441 HD21 0.01 -0.12 -0.20 -0.04 7.03 6.68 1ytnA1 ASN 441 HD22 0.02 0.65 -0.14 -0.04 7.74 8.22 1ytnA1 GLY 442 H 0.07 0.26 0.07 -0.55 8.43 8.28 1ytnA1 GLY 442 HA2 0.04 0.10 0.27 -0.51 4.01 3.91 1ytnA1 GLY 442 HA3 0.04 0.11 0.31 -0.51 4.01 3.96 1ytnA1 ILE 443 H 0.02 0.07 -0.49 -0.55 8.25 7.30 1ytnA1 ILE 443 HA 0.00 0.26 0.75 -0.75 4.18 4.44 1ytnA1 ILE 443 HB 0.00 -0.05 -0.16 -0.04 1.89 1.63 1ytnA1 ILE 443 HG12 -0.01 -0.02 -0.06 -0.04 1.49 1.36 1ytnA1 ILE 443 HG13 -0.02 -0.01 -0.06 -0.04 1.21 1.08 1ytnA1 ILE 443 HG23 -0.02 -0.03 -0.00 -0.04 0.93 0.84 1ytnA1 ILE 443 HD13 -0.02 0.03 -0.17 -0.04 0.88 0.69 1ytnA1 MET 444 H 0.02 0.31 -0.16 -0.55 8.47 8.10 1ytnA1 MET 444 HA 0.01 -0.06 0.51 -0.75 4.52 4.23 1ytnA1 MET 444 HB2 0.02 0.07 0.02 -0.04 2.15 2.23 1ytnA1 MET 444 HB3 0.02 -0.07 -0.06 -0.04 2.03 1.89 1ytnA1 MET 444 HG2 0.03 0.10 0.04 -0.04 2.63 2.75 1ytnA1 MET 444 HG3 0.03 0.10 -0.28 -0.04 2.56 2.36 1ytnA1 MET 444 HE3 0.02 -0.02 -0.08 -0.04 2.10 1.98 1ytnA1 VAL 445 H 0.00 0.40 0.31 -0.55 8.24 8.41 1ytnA1 VAL 445 HA 0.02 -0.17 0.37 -0.75 4.13 3.60 1ytnA1 VAL 445 HB 0.02 0.29 0.36 -0.04 2.12 2.75 1ytnA1 VAL 445 HG13 0.03 -0.03 -0.13 -0.04 0.97 0.80 1ytnA1 VAL 445 HG23 0.03 -0.04 -0.34 -0.04 0.95 0.56 1ytnA1 GLN 446 H -0.00 -0.06 0.17 -0.55 8.47 8.03 1ytnA1 GLN 446 HA -0.00 0.31 0.49 -0.75 4.36 4.40 1ytnA1 GLN 446 HB2 -0.02 0.11 -0.01 -0.04 2.15 2.19 1ytnA1 GLN 446 HB3 -0.02 -0.24 0.11 -0.04 2.02 1.82 1ytnA1 GLN 446 HG2 -0.02 -0.03 -0.39 -0.04 2.40 1.91 1ytnA1 GLN 446 HG3 -0.03 0.11 -0.08 -0.04 2.39 2.36 1ytnA1 GLN 446 HE21 -0.07 -0.07 -0.02 -0.04 6.97 6.76 1ytnA1 GLN 446 HE22 -0.05 0.13 -0.03 -0.04 7.69 7.69 1ytnA1 LYS 447 H 0.02 -0.03 0.03 -0.55 8.42 7.88 1ytnA1 LYS 447 HA 0.01 0.29 0.85 -0.75 4.32 4.72 1ytnA1 LYS 447 HB2 0.04 -0.25 -0.04 -0.04 1.87 1.57 1ytnA1 LYS 447 HB3 0.02 0.04 0.10 -0.04 1.79 1.92 1ytnA1 LYS 447 HG2 0.00 -0.14 -0.06 -0.04 1.46 1.22 1ytnA1 LYS 447 HG3 0.02 0.08 -0.11 -0.04 1.46 1.42 1ytnA1 LYS 447 HD2 -0.01 0.10 -0.07 -0.04 1.69 1.67 1ytnA1 LYS 447 HD3 -0.01 -0.02 0.04 -0.04 1.68 1.65 1ytnA1 LYS 447 HE2 0.01 -0.10 0.09 -0.04 2.99 2.96 1ytnA1 LYS 447 HE3 0.00 0.05 0.05 -0.04 2.99 3.05 1ytnA1 ASP 448 H 0.02 0.25 0.14 -0.55 8.40 8.25 1ytnA1 ASP 448 HA 0.02 0.17 0.28 -0.75 4.63 4.34 1ytnA1 ASP 448 HB2 0.02 0.00 0.04 -0.04 2.71 2.73 1ytnA1 ASP 448 HB3 0.02 0.06 0.07 -0.04 2.70 2.81 1ytnA1 GLU 449 H 0.04 0.06 -0.28 -0.55 8.60 7.86 1ytnA1 GLU 449 HA 0.03 0.19 0.57 -0.75 4.29 4.33 1ytnA1 GLU 449 HB2 0.05 0.04 -0.03 -0.04 2.09 2.11 1ytnA1 GLU 449 HB3 0.03 0.08 0.04 -0.04 1.99 2.10 1ytnA1 GLU 449 HG2 0.07 -0.22 -0.07 -0.04 2.34 2.07 1ytnA1 GLU 449 HG3 0.07 -0.01 -0.06 -0.04 2.34 2.31 1ytnA1 GLN 450 H 0.07 0.06 -0.25 -0.55 8.47 7.80 1ytnA1 GLN 450 HA 0.12 0.06 0.44 -0.75 4.36 4.23 1ytnA1 GLN 450 HB2 0.06 0.11 0.07 -0.04 2.15 2.35 1ytnA1 GLN 450 HB3 0.09 0.02 -0.01 -0.04 2.02 2.08 1ytnA1 GLN 450 HG2 0.21 0.06 0.00 -0.04 2.40 2.63 1ytnA1 GLN 450 HG3 0.15 -0.04 -0.21 -0.04 2.39 2.24 1ytnA1 GLN 450 HE21 -0.06 -0.23 -0.06 -0.04 6.97 6.58 1ytnA1 GLN 450 HE22 0.00 0.31 -0.09 -0.04 7.69 7.87 1ytnA1 LEU 451 H 0.05 0.37 -0.36 -0.55 8.37 7.88 1ytnA1 LEU 451 HA 0.04 0.04 0.38 -0.75 4.35 4.06 1ytnA1 LEU 451 HB2 0.03 0.09 -0.02 -0.04 1.64 1.70 1ytnA1 LEU 451 HB3 0.03 0.09 0.01 -0.04 1.64 1.73 1ytnA1 LEU 451 HG 0.03 -0.03 -0.22 -0.04 1.64 1.38 1ytnA1 LEU 451 HD13 0.03 -0.01 -0.02 -0.04 0.93 0.89 1ytnA1 LEU 451 HD23 0.03 0.02 -0.09 -0.04 0.89 0.80 1ytnA1 ASP 452 H 0.04 0.31 -0.34 -0.55 8.40 7.87 1ytnA1 ASP 452 HA 0.03 0.05 0.44 -0.75 4.63 4.39 1ytnA1 ASP 452 HB2 0.03 0.19 0.27 -0.04 2.71 3.15 1ytnA1 ASP 452 HB3 0.02 -0.06 -0.00 -0.04 2.70 2.62 1ytnA1 VAL 453 H 0.04 0.37 -0.41 -0.55 8.24 7.70 1ytnA1 VAL 453 HA 0.01 -0.01 0.35 -0.75 4.13 3.73 1ytnA1 VAL 453 HB 0.07 0.20 0.16 -0.04 2.12 2.50 1ytnA1 VAL 453 HG13 0.02 -0.02 -0.19 -0.04 0.97 0.73 1ytnA1 VAL 453 HG23 0.02 0.03 -0.02 -0.04 0.95 0.94 1ytnA1 LEU 454 H 0.04 0.32 -0.09 -0.55 8.37 8.09 1ytnA1 LEU 454 HA 0.03 0.05 0.40 -0.75 4.35 4.08 1ytnA1 LEU 454 HB2 0.04 0.09 0.06 -0.04 1.64 1.79 1ytnA1 LEU 454 HB3 0.04 0.04 0.05 -0.04 1.64 1.73 1ytnA1 LEU 454 HG 0.06 0.04 0.05 -0.04 1.64 1.75 1ytnA1 LEU 454 HD13 0.04 -0.00 -0.08 -0.04 0.93 0.85 1ytnA1 LEU 454 HD23 0.05 0.02 -0.08 -0.04 0.89 0.84 1ytnA1 ILE 455 H 0.03 0.43 -0.44 -0.55 8.25 7.73 1ytnA1 ILE 455 HA 0.05 0.04 0.44 -0.75 4.18 3.96 1ytnA1 ILE 455 HB 0.03 0.11 0.16 -0.04 1.89 2.15 1ytnA1 ILE 455 HG12 0.07 -0.06 0.01 -0.04 1.49 1.47 1ytnA1 ILE 455 HG13 0.04 0.17 -0.01 -0.04 1.21 1.37 1ytnA1 ILE 455 HG23 0.07 -0.02 -0.02 -0.04 0.93 0.92 1ytnA1 ILE 455 HD13 0.05 -0.02 -0.05 -0.04 0.88 0.81 1ytnA1 LYS 456 H -0.00 0.35 -0.35 -0.55 8.42 7.86 1ytnA1 LYS 456 HA -0.07 0.05 0.50 -0.75 4.32 4.05 1ytnA1 LYS 456 HB2 -0.01 0.15 0.21 -0.04 1.87 2.17 1ytnA1 LYS 456 HB3 -0.02 -0.03 0.11 -0.04 1.79 1.81 1ytnA1 LYS 456 HG2 -0.03 -0.09 0.03 -0.04 1.46 1.34 1ytnA1 LYS 456 HG3 -0.04 -0.03 0.01 -0.04 1.46 1.36 1ytnA1 LYS 456 HD2 -0.04 -0.03 0.02 -0.04 1.69 1.60 1ytnA1 LYS 456 HD3 -0.07 0.01 0.08 -0.04 1.68 1.67 1ytnA1 LYS 456 HE2 -0.02 0.06 -0.12 -0.04 2.99 2.87 1ytnA1 LYS 456 HE3 -0.01 -0.05 -0.02 -0.04 2.99 2.87 1ytnA1 LEU 457 H -0.01 0.43 -0.02 -0.55 8.37 8.22 1ytnA1 LEU 457 HA -0.03 0.02 0.35 -0.75 4.35 3.94 1ytnA1 LEU 457 HB2 0.00 0.08 0.13 -0.04 1.64 1.81 1ytnA1 LEU 457 HB3 -0.00 0.06 0.03 -0.04 1.64 1.68 1ytnA1 LEU 457 HG -0.00 0.16 0.08 -0.04 1.64 1.84 1ytnA1 LEU 457 HD13 0.01 -0.00 -0.08 -0.04 0.93 0.82 1ytnA1 LEU 457 HD23 -0.02 -0.02 -0.06 -0.04 0.89 0.75 1ytnA1 ALA 458 H -0.01 0.44 -0.30 -0.55 8.40 7.98 1ytnA1 ALA 458 HA 0.01 0.03 0.23 -0.75 4.34 3.86 1ytnA1 ALA 458 HB3 0.06 0.06 0.04 -0.04 1.41 1.53 1ytnA1 GLU 459 H -0.20 0.53 -0.14 -0.55 8.60 8.24 1ytnA1 GLU 459 HA -1.03 -0.01 0.39 -0.75 4.29 2.89 1ytnA1 GLU 459 HB2 -0.70 0.02 0.18 -0.04 2.09 1.56 1ytnA1 GLU 459 HB3 -0.28 0.10 0.21 -0.04 1.99 1.97 1ytnA1 GLU 459 HG2 -0.28 0.02 -0.11 -0.04 2.34 1.93 1ytnA1 GLU 459 HG3 -0.73 -0.06 0.08 -0.04 2.34 1.59 1ytnA1 GLY 460 H -0.12 0.46 -0.44 -0.55 8.43 7.79 1ytnA1 GLY 460 HA2 -0.08 -0.05 0.26 -0.51 4.01 3.62 1ytnA1 GLY 460 HA3 -0.06 -0.02 0.32 -0.51 4.01 3.74 1ytnA1 GLN 461 H -0.05 0.49 -0.28 -0.55 8.47 8.08 1ytnA1 GLN 461 HA -0.01 0.15 0.86 -0.75 4.36 4.61 1ytnA1 GLN 461 HB2 0.01 -0.03 0.01 -0.04 2.15 2.10 1ytnA1 GLN 461 HB3 0.01 -0.03 0.14 -0.04 2.02 2.09 1ytnA1 GLN 461 HG2 -0.01 -0.03 -0.09 -0.04 2.40 2.23 1ytnA1 GLN 461 HG3 -0.02 0.22 -0.07 -0.04 2.39 2.48 1ytnA1 GLN 461 HE21 0.01 0.31 0.03 -0.04 6.97 7.28 1ytnA1 GLN 461 HE22 0.00 -0.09 -0.05 -0.04 7.69 7.51 1ytnA1 GLY 462 H -0.04 0.52 -0.04 -0.55 8.43 8.32 1ytnA1 GLY 462 HA2 0.13 -0.03 0.34 -0.51 4.01 3.94 1ytnA1 GLY 462 HA3 0.06 0.01 0.47 -0.51 4.01 4.04 1ytnA1 ARG 463 H 0.07 0.42 -0.18 -0.55 8.46 8.22 1ytnA1 ARG 463 HA 0.07 0.15 0.60 -0.75 4.34 4.40 1ytnA1 ARG 463 HB2 0.04 0.02 -0.02 -0.04 1.90 1.90 1ytnA1 ARG 463 HB3 0.07 -0.15 0.03 -0.04 1.80 1.71 1ytnA1 ARG 463 HG2 0.05 0.05 -0.09 -0.04 1.67 1.65 1ytnA1 ARG 463 HG3 0.04 -0.05 -0.04 -0.04 1.67 1.58 1ytnA1 ARG 463 HD2 0.04 -0.17 -0.08 -0.04 3.22 2.97 1ytnA1 ARG 463 HD3 0.04 0.26 -0.03 -0.04 3.22 3.44 1ytnA1 PRO 464 HA 0.01 0.04 0.59 -0.51 4.44 4.56 1ytnA1 PRO 464 HB2 0.00 0.05 -0.04 -0.04 2.28 2.25 1ytnA1 PRO 464 HB3 -0.01 0.02 0.10 -0.04 2.02 2.08 1ytnA1 PRO 464 HG2 0.03 0.06 -0.01 -0.04 2.03 2.07 1ytnA1 PRO 464 HG3 0.01 0.06 0.08 -0.04 2.03 2.14 1ytnA1 PRO 464 HD2 0.04 0.10 0.17 -0.04 3.68 3.96 1ytnA1 PRO 464 HD3 0.04 0.19 0.12 -0.04 3.65 3.97 1ytnA1 LEU 465 H -0.05 0.16 0.21 -0.55 8.37 8.15 1ytnA1 LEU 465 HA 0.07 0.05 0.75 -0.75 4.35 4.47 1ytnA1 LEU 465 HB2 -0.03 -0.05 0.21 -0.04 1.64 1.73 1ytnA1 LEU 465 HB3 0.03 -0.05 0.00 -0.04 1.64 1.58 1ytnA1 LEU 465 HG -0.02 0.22 0.15 -0.04 1.64 1.95 1ytnA1 LEU 465 HD13 0.07 -0.03 -0.02 -0.04 0.93 0.91 1ytnA1 LEU 465 HD23 0.25 0.01 -0.00 -0.04 0.89 1.10 1ytnA1 LEU 466 H -0.03 0.11 0.13 -0.55 8.37 8.03 1ytnA1 LEU 466 HA 0.00 0.12 0.88 -0.75 4.35 4.60 1ytnA1 LEU 466 HB2 -0.02 0.03 -0.02 -0.04 1.64 1.58 1ytnA1 LEU 466 HB3 -0.01 0.05 0.11 -0.04 1.64 1.75 1ytnA1 LEU 466 HG -0.02 -0.11 -0.03 -0.04 1.64 1.44 1ytnA1 LEU 466 HD13 -0.02 0.04 0.03 -0.04 0.93 0.93 1ytnA1 LEU 466 HD23 0.00 0.02 -0.09 -0.04 0.89 0.78 1ytnA1 ASN 467 H -0.00 0.15 0.14 -0.55 8.53 8.27 1ytnA1 ASN 467 HA -0.00 0.19 0.70 -0.75 4.76 4.89 1ytnA1 ASN 467 HB2 0.00 0.00 0.03 -0.04 2.88 2.88 1ytnA1 ASN 467 HB3 -0.00 0.05 -0.06 -0.04 2.79 2.74 1ytnA1 ASN 467 HD21 0.01 0.00 -0.08 -0.04 7.03 6.92 1ytnA1 ASN 467 HD22 0.00 0.05 -0.05 -0.04 7.74 7.70 1ytnA1 SER 468 H -0.00 0.19 0.07 -0.55 8.46 8.17 1ytnA1 SER 468 HA -0.00 0.07 0.19 -0.75 4.49 4.00 1ytnA1 SER 468 HB2 -0.00 -0.03 -0.25 -0.04 3.95 3.63 1ytnA1 SER 468 HB3 -0.01 0.13 0.33 -0.04 3.93 4.34