#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jf9 h LEU 306 N 0.00 -0.37 -0.75 2.46 6.46 -2.03 -2.52 115.31 118.55 2jf9 h LEU 306 Ca 0.00 0.18 0.15 0.00 -0.12 0.00 0.00 57.88 58.09 2jf9 h LEU 306 Cb 0.00 0.32 -0.10 0.00 -0.73 0.00 0.00 40.66 40.15 2jf9 h LEU 306 CO 0.00 -0.16 0.27 0.00 -0.62 0.00 0.00 178.44 177.93 2jf9 h ALA 307 N 1.63 1.05 0.00 1.25 0.00 -1.98 -0.67 119.26 120.53 2jf9 h ALA 307 Ca 0.35 0.13 0.00 0.00 0.00 0.00 0.00 54.91 55.39 2jf9 h ALA 307 Cb 0.57 0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.49 2jf9 h ALA 307 CO -0.60 -0.26 0.00 1.28 0.00 0.00 0.00 179.25 179.67 2jf9 n LEU 308 N -5.05 0.28 -0.11 0.00 4.77 -0.95 -3.20 117.00 112.74 2jf9 n LEU 308 Ca 0.15 0.53 0.12 0.00 -0.03 0.00 0.00 56.01 56.77 2jf9 n LEU 308 Cb 0.44 -0.44 0.19 0.00 -2.33 0.00 0.00 43.42 41.28 2jf9 n LEU 308 CO 0.16 -0.08 0.40 -1.54 -1.33 0.00 0.00 177.39 175.01 2jf9 n SER 309 N -1.76 0.88 -4.74 -1.43 3.41 -0.28 -4.92 113.62 104.78 2jf9 n SER 309 Ca 0.06 -0.68 -0.41 0.00 -0.26 0.00 0.00 58.87 57.58 2jf9 n SER 309 Cb 0.36 0.38 -0.03 0.00 -0.26 0.00 0.00 64.21 64.66 2jf9 n SER 309 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 2jf9 s LEU 310 N -2.82 4.44 0.98 1.04 1.43 -1.08 -5.03 118.68 117.65 2jf9 s LEU 310 Ca 0.15 2.29 -0.12 0.00 -1.03 0.00 0.00 54.13 55.41 2jf9 s LEU 310 Cb 0.18 -3.61 0.18 0.00 0.03 0.00 0.00 46.19 42.97 2jf9 s LEU 310 CO 0.67 -0.42 1.10 0.42 0.23 0.00 0.00 176.35 178.36 2jf9 s THR 311 N -0.03 2.10 0.18 5.49 -4.23 -1.26 -4.82 115.64 113.07 2jf9 s THR 311 Ca 0.54 0.03 -0.12 0.00 -1.18 0.00 0.00 61.69 60.96 2jf9 s THR 311 Cb -0.34 -2.56 0.09 0.00 1.34 0.00 0.00 72.50 71.03 2jf9 s THR 311 CO 0.37 -0.04 1.77 0.00 -0.54 0.00 0.00 174.62 176.18 2jf9 h ALA 312 N -1.82 0.79 -0.74 3.99 0.00 -1.95 -0.82 119.26 118.72 2jf9 h ALA 312 Ca -0.54 -0.13 -0.03 0.00 0.00 0.00 0.00 54.91 54.22 2jf9 h ALA 312 Cb 1.33 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 18.84 2jf9 h ALA 312 CO 0.58 0.34 0.35 -0.44 0.00 0.00 0.00 179.25 180.08 2jf9 h ASP 313 N 0.84 0.95 -0.49 0.00 3.32 -1.96 -1.41 116.42 117.68 2jf9 h ASP 313 Ca 0.21 -0.11 -0.12 0.00 0.02 0.00 0.00 57.03 57.04 2jf9 h ASP 313 Cb 0.10 -0.24 -0.02 0.00 0.22 0.00 0.00 39.33 39.39 2jf9 h ASP 313 CO -0.03 0.81 -0.14 1.56 -1.72 0.00 0.00 179.24 179.72 2jf9 h GLN 314 N 1.04 0.98 -0.09 3.56 4.20 -1.82 -2.02 115.11 120.96 2jf9 h GLN 314 Ca 0.25 -0.37 0.00 0.00 0.06 0.00 0.00 58.65 58.60 2jf9 h GLN 314 Cb 0.11 -0.06 -0.01 0.00 0.30 0.00 0.00 27.48 27.83 2jf9 h GLN 314 CO -0.03 1.05 0.04 1.98 -0.67 0.00 0.00 178.83 181.20 2jf9 h MET 315 N 0.86 0.09 -0.29 1.46 4.05 -0.81 -0.50 114.93 119.79 2jf9 h MET 315 Ca 0.13 -0.01 0.04 0.00 -0.28 0.00 0.00 59.70 59.58 2jf9 h MET 315 Cb 0.70 -0.02 -0.03 0.00 -0.80 0.00 0.00 31.60 31.44 2jf9 h MET 315 CO 0.05 0.06 0.08 0.28 0.23 0.00 0.00 176.91 177.61 2jf9 h VAL 316 N 0.09 0.89 -0.37 -5.77 2.07 -1.20 -0.57 116.25 111.40 2jf9 h VAL 316 Ca 0.03 -0.07 0.02 0.00 0.82 0.00 0.00 66.70 67.51 2jf9 h VAL 316 Cb 0.01 0.68 -0.03 0.00 -1.52 0.00 0.00 31.29 30.43 2jf9 h VAL 316 CO -0.03 0.04 0.20 0.28 0.02 0.00 0.00 177.57 178.08 2jf9 h SER 317 N 0.19 0.31 -0.66 0.57 0.02 -1.21 0.95 113.55 113.73 2jf9 h SER 317 Ca 0.13 0.01 -0.03 0.00 -0.84 0.00 0.00 61.79 61.06 2jf9 h SER 317 Cb 0.12 -0.05 -0.03 0.00 0.14 0.00 0.00 62.40 62.58 2jf9 h SER 317 CO -0.16 0.23 0.29 0.00 -1.14 0.00 0.00 176.83 176.05 2jf9 h ALA 318 N 1.18 0.86 -0.45 3.77 0.00 -0.80 0.64 119.26 124.46 2jf9 h ALA 318 Ca 0.15 -0.16 -0.11 0.00 0.00 0.00 0.00 54.91 54.80 2jf9 h ALA 318 Cb 0.04 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.55 2jf9 h ALA 318 CO -0.09 0.45 -0.14 -0.07 0.00 0.00 0.00 179.25 179.40 2jf9 h LEU 319 N 0.92 0.90 -0.32 0.00 3.38 -0.62 -1.58 115.31 117.99 2jf9 h LEU 319 Ca 0.22 -0.37 -0.01 0.00 0.09 0.00 0.00 57.88 57.81 2jf9 h LEU 319 Cb 0.16 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.65 2jf9 h LEU 319 CO -0.02 1.07 0.14 -0.07 0.09 0.00 0.00 178.44 179.65 2jf9 h LEU 320 N 0.72 0.42 -1.96 1.67 3.38 -0.64 -2.73 115.31 116.19 2jf9 h LEU 320 Ca 0.11 -0.14 -0.02 0.00 0.09 0.00 0.00 57.88 57.91 2jf9 h LEU 320 Cb 0.69 -0.11 -0.00 0.00 0.09 0.00 0.00 40.66 41.33 2jf9 h LEU 320 CO 0.05 0.45 -0.11 0.44 0.09 0.00 0.00 178.44 179.36 2jf9 h ASP 321 N 0.37 0.00 0.99 -0.43 3.32 -0.83 -2.87 116.42 116.98 2jf9 h ASP 321 Ca 0.11 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.16 2jf9 h ASP 321 Cb 0.15 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.70 2jf9 h ASP 321 CO -0.01 0.11 0.00 0.00 -1.72 0.00 0.00 179.24 177.62 2jf9 n ALA 322 N -2.34 1.97 -1.70 3.45 0.00 -0.60 -4.94 120.51 116.36 2jf9 n ALA 322 Ca -0.02 0.00 -0.43 0.00 0.00 0.00 0.00 53.44 52.99 2jf9 n ALA 322 Cb 0.21 -1.41 -0.01 0.00 0.00 0.00 0.00 19.45 18.24 2jf9 n ALA 322 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 2jf9 n GLU 323 N -2.03 2.16 -1.51 0.00 -0.58 -1.09 -4.53 120.64 113.07 2jf9 n GLU 323 Ca 0.04 0.76 -0.30 0.00 -0.42 0.00 0.00 57.16 57.24 2jf9 n GLU 323 Cb 0.31 -2.37 0.09 0.00 -0.57 0.00 0.00 31.44 28.90 2jf9 n GLU 323 CO 0.00 0.00 0.00 -1.25 -0.48 0.00 0.00 177.13 175.40 2jf9 s PRO 324 N -1.52 2.03 0.60 3.49 0.04 -1.26 -5.00 135.00 133.37 2jf9 s PRO 324 Ca 0.58 0.68 -0.18 0.00 0.04 0.00 0.00 61.00 62.12 2jf9 s PRO 324 Cb -0.58 -1.91 -0.03 0.00 0.04 0.00 0.00 34.50 32.02 2jf9 s PRO 324 CO 0.59 -1.67 1.20 -1.25 0.04 0.00 0.00 177.00 175.91 2jf9 s PRO 325 N -5.12 2.93 -0.17 0.56 0.04 -1.26 -4.98 135.00 126.99 2jf9 s PRO 325 Ca 0.61 1.80 -0.29 0.00 0.04 0.00 0.00 61.00 63.16 2jf9 s PRO 325 Cb -0.15 -1.93 -0.01 0.00 0.04 0.00 0.00 34.50 32.46 2jf9 s PRO 325 CO 0.55 -1.24 1.11 0.42 0.04 0.00 0.00 177.00 177.88 2jf9 s ILE 326 N -1.65 4.54 0.13 0.56 -1.09 -1.26 -5.02 121.20 117.41 2jf9 s ILE 326 Ca 0.77 1.85 -0.11 0.00 -2.23 0.00 0.00 60.65 60.92 2jf9 s ILE 326 Cb -0.30 -4.19 -0.06 0.00 -1.58 0.00 0.00 42.46 36.33 2jf9 s ILE 326 CO 0.34 -0.11 0.47 -0.76 -1.23 0.00 0.00 174.94 173.65 2jf9 s LEU 327 N 2.95 4.31 0.24 2.97 1.43 -1.26 -5.04 118.68 124.28 2jf9 s LEU 327 Ca 0.49 0.89 0.02 0.00 -1.03 0.00 0.00 54.13 54.51 2jf9 s LEU 327 Cb -0.19 -3.22 -0.03 0.00 0.03 0.00 0.00 46.19 42.78 2jf9 s LEU 327 CO 0.12 0.10 0.39 -0.31 0.23 0.00 0.00 176.35 176.88 2jf9 s TYR 328 N -1.51 3.47 0.22 0.29 1.51 -1.26 -4.29 117.35 115.78 2jf9 s TYR 328 Ca 0.38 0.16 0.05 0.00 -1.01 0.00 0.00 57.07 56.64 2jf9 s TYR 328 Cb -0.14 -1.71 -0.03 0.00 -0.11 0.00 0.00 41.96 39.97 2jf9 s TYR 328 CO 0.19 0.38 0.30 0.45 -1.11 0.00 0.00 175.55 175.76 2jf9 s SER 329 N -3.68 6.12 -0.04 2.29 0.15 -1.26 -5.03 113.70 112.24 2jf9 s SER 329 Ca 0.36 0.02 0.05 0.00 0.70 0.00 0.00 55.95 57.08 2jf9 s SER 329 Cb -0.10 -1.75 -0.01 0.00 -1.71 0.00 0.00 66.02 62.45 2jf9 s SER 329 CO 0.30 -0.03 -0.19 -1.61 1.20 0.00 0.00 173.24 172.91 2jf9 s GLU 330 N -3.74 1.97 0.00 5.44 8.01 -1.26 -4.98 118.70 124.15 2jf9 s GLU 330 Ca 0.34 -0.69 -0.29 0.00 0.01 0.00 0.00 54.97 54.33 2jf9 s GLU 330 Cb -0.09 -1.71 0.10 0.00 -4.31 0.00 0.00 34.13 28.11 2jf9 s GLU 330 CO 0.28 0.29 0.97 1.52 0.01 0.00 0.00 175.26 178.33 2jf9 s TYR 331 N -0.05 -0.26 -0.37 1.61 -0.85 -1.26 -5.04 117.35 111.13 2jf9 s TYR 331 Ca -0.03 0.10 -0.29 0.00 -0.52 0.00 0.00 57.07 56.34 2jf9 s TYR 331 Cb -0.12 0.56 0.01 0.00 0.38 0.00 0.00 41.96 42.79 2jf9 s TYR 331 CO 0.02 -0.54 1.32 0.34 -1.52 0.00 0.00 175.55 175.17 2jf9 s ASP 332 N -2.56 6.54 0.00 -0.18 -1.08 -1.26 -4.91 116.67 113.22 2jf9 s ASP 332 Ca 0.07 0.94 0.26 0.00 -0.52 0.00 0.00 52.55 53.30 2jf9 s ASP 332 Cb -0.01 -2.54 1.22 0.00 -1.46 0.00 0.00 42.92 40.13 2jf9 s ASP 332 CO -0.06 -1.24 1.82 -0.81 0.52 0.00 0.00 175.17 175.40 2jf9 n PRO 333 N 7.69 1.38 -0.13 4.34 -0.04 -1.26 -2.91 135.00 144.07 2jf9 n PRO 333 Ca 0.15 -0.56 0.11 0.00 -0.04 0.00 0.00 63.50 63.16 2jf9 n PRO 333 Cb 0.47 -1.43 0.17 0.00 -0.04 0.00 0.00 33.50 32.68 2jf9 n PRO 333 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 2jf9 n THR 334 N -0.28 0.36 -4.81 0.52 -2.24 -1.26 -4.93 114.28 101.63 2jf9 n THR 334 Ca 0.19 -0.68 -0.33 0.00 -2.27 0.00 0.00 64.05 60.96 2jf9 n THR 334 Cb 0.23 1.12 -0.16 0.00 -2.10 0.00 0.00 70.33 69.42 2jf9 n THR 334 CO 0.00 0.00 0.00 -0.60 -0.57 0.00 0.00 175.07 173.90 2jf9 s ARG 335 N -1.55 3.21 0.57 -0.78 3.52 -1.14 -5.12 118.95 117.65 2jf9 s ARG 335 Ca 0.33 -0.77 -0.18 0.00 -0.13 0.00 0.00 55.73 54.97 2jf9 s ARG 335 Cb 0.21 -2.52 -0.05 0.00 -1.56 0.00 0.00 34.95 31.03 2jf9 s ARG 335 CO 0.29 0.12 1.12 -1.25 -0.81 0.00 0.00 175.30 174.77 2jf9 s PRO 336 N 0.54 3.26 0.45 5.12 0.04 -1.26 -4.93 135.00 138.22 2jf9 s PRO 336 Ca -0.11 1.54 -0.25 0.00 0.04 0.00 0.00 61.00 62.22 2jf9 s PRO 336 Cb -0.16 -2.00 -0.08 0.00 0.04 0.00 0.00 34.50 32.30 2jf9 s PRO 336 CO 0.04 -0.91 1.32 -0.06 0.04 0.00 0.00 177.00 177.44 2jf9 s PHE 337 N -1.92 2.64 0.49 0.56 0.08 -1.26 -5.04 117.98 113.52 2jf9 s PHE 337 Ca 0.71 1.39 0.03 0.00 0.12 0.00 0.00 56.93 59.17 2jf9 s PHE 337 Cb -0.22 -3.72 -0.02 0.00 -0.57 0.00 0.00 43.02 38.49 2jf9 s PHE 337 CO 0.30 -2.37 0.03 -1.54 -0.10 0.00 0.00 175.22 171.54 2jf9 s SER 338 N -0.81 4.12 0.12 1.36 1.04 -1.26 -4.97 113.70 113.30 2jf9 s SER 338 Ca 0.62 -1.56 -0.19 0.00 0.48 0.00 0.00 55.95 55.29 2jf9 s SER 338 Cb -0.39 0.32 -0.05 0.00 0.10 0.00 0.00 66.02 66.00 2jf9 s SER 338 CO 0.48 -0.78 1.75 -0.08 0.98 0.00 0.00 173.24 175.59 2jf9 h GLU 339 N 1.40 0.35 -0.47 4.02 4.81 -1.98 -0.46 114.58 122.24 2jf9 h GLU 339 Ca -0.44 -0.03 -0.03 0.00 -0.13 0.00 0.00 59.36 58.73 2jf9 h GLU 339 Cb 1.30 -0.07 -0.02 0.00 0.63 0.00 0.00 28.75 30.58 2jf9 h GLU 339 CO 0.74 0.27 0.18 0.00 -0.73 0.00 0.00 179.01 179.47 2jf9 h ALA 340 N 1.06 0.61 -0.19 2.92 0.00 -1.97 -2.02 119.26 119.67 2jf9 h ALA 340 Ca 0.09 -0.16 -0.21 0.00 0.00 0.00 0.00 54.91 54.64 2jf9 h ALA 340 Cb 0.01 -0.18 0.01 0.00 0.00 0.00 0.00 17.79 17.63 2jf9 h ALA 340 CO -0.02 0.24 -0.70 0.66 0.00 0.00 0.00 179.25 179.42 2jf9 h SER 341 N 0.62 0.91 -0.07 0.00 4.64 -1.92 -0.05 113.55 117.67 2jf9 h SER 341 Ca 0.16 -0.56 -0.01 0.00 -0.47 0.00 0.00 61.79 60.90 2jf9 h SER 341 Cb 0.22 -0.27 -0.00 0.00 -0.31 0.00 0.00 62.40 62.04 2jf9 h SER 341 CO -0.01 1.35 -0.00 -0.03 -0.87 0.00 0.00 176.83 177.27 2jf9 h MET 342 N 0.55 0.12 -0.77 4.77 -1.53 -1.12 0.45 114.93 117.41 2jf9 h MET 342 Ca -0.03 -0.04 0.00 0.00 -3.44 0.00 0.00 59.70 56.19 2jf9 h MET 342 Cb 1.32 -0.01 -0.04 0.00 -0.55 0.00 0.00 31.60 32.32 2jf9 h MET 342 CO 0.15 0.41 0.49 1.98 0.14 0.00 0.00 176.91 180.08 2jf9 h MET 343 N -0.18 1.03 -0.76 0.39 -1.53 -1.39 -1.09 114.93 111.41 2jf9 h MET 343 Ca 0.02 -0.08 -0.04 0.00 -3.44 0.00 0.00 59.70 56.16 2jf9 h MET 343 Cb 0.36 -0.22 -0.03 0.00 -0.55 0.00 0.00 31.60 31.15 2jf9 h MET 343 CO 0.00 0.71 0.32 0.78 0.14 0.00 0.00 176.91 178.86 2jf9 h GLY 344 N 1.07 1.22 0.89 1.39 0.00 -0.84 -0.78 103.07 106.01 2jf9 h GLY 344 Ca 0.28 -0.65 -0.03 0.00 0.00 0.00 0.00 47.33 46.93 2jf9 h GLY 344 CO -0.06 0.62 0.06 -2.00 0.00 0.00 0.00 176.54 175.16 2jf9 h LEU 345 N 1.10 0.45 -0.63 3.11 5.85 -0.09 -0.90 115.31 124.20 2jf9 h LEU 345 Ca 0.26 -0.24 -0.14 0.00 0.84 0.00 0.00 57.88 58.60 2jf9 h LEU 345 Cb 0.20 -0.12 -0.01 0.00 0.37 0.00 0.00 40.66 41.10 2jf9 h LEU 345 CO -0.02 0.57 -0.38 -0.07 -0.34 0.00 0.00 178.44 178.20 2jf9 h LEU 346 N 0.30 0.69 -0.14 2.25 3.38 -1.16 -2.06 115.31 118.58 2jf9 h LEU 346 Ca 0.09 -0.30 -0.01 0.00 0.09 0.00 0.00 57.88 57.75 2jf9 h LEU 346 Cb 0.31 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.86 2jf9 h LEU 346 CO 0.00 1.00 0.07 0.74 0.09 0.00 0.00 178.44 180.34 2jf9 h THR 347 N 0.54 1.13 -0.17 0.22 2.02 -1.09 -0.44 112.91 115.12 2jf9 h THR 347 Ca 0.05 -0.37 0.04 0.00 0.77 0.00 0.00 66.41 66.90 2jf9 h THR 347 Cb 0.90 1.11 -0.04 0.00 -1.74 0.00 0.00 68.15 68.38 2jf9 h THR 347 CO 0.08 0.12 -0.10 -1.13 0.37 0.00 0.00 175.52 174.86 2jf9 h ASN 348 N 0.10 -0.32 0.03 4.18 -1.24 -1.07 -0.75 115.58 116.51 2jf9 h ASN 348 Ca 0.05 0.07 0.01 0.00 0.71 0.00 0.00 56.30 57.14 2jf9 h ASN 348 Cb 0.13 0.17 -0.02 0.00 0.73 0.00 0.00 38.32 39.33 2jf9 h ASN 348 CO -0.01 -0.13 -0.10 0.25 -1.29 0.00 0.00 177.43 176.16 2jf9 h LEU 349 N -0.09 -0.27 -0.93 0.34 5.85 -1.29 -2.23 115.31 116.70 2jf9 h LEU 349 Ca 0.10 0.04 0.05 0.00 0.84 0.00 0.00 57.88 58.90 2jf9 h LEU 349 Cb 0.23 0.11 -0.06 0.00 0.37 0.00 0.00 40.66 41.32 2jf9 h LEU 349 CO -0.23 -0.14 0.60 0.00 -0.34 0.00 0.00 178.44 178.33 2jf9 h ALA 350 N 0.77 1.25 -0.64 1.25 0.00 -0.86 0.32 119.26 121.34 2jf9 h ALA 350 Ca 0.03 -0.03 -0.07 0.00 0.00 0.00 0.00 54.91 54.84 2jf9 h ALA 350 Cb 0.21 -0.30 -0.03 0.00 0.00 0.00 0.00 17.79 17.67 2jf9 h ALA 350 CO -0.08 0.42 0.14 -0.44 0.00 0.00 0.00 179.25 179.30 2jf9 h ASP 351 N 1.13 0.99 -0.24 0.00 3.32 -1.00 -0.38 116.42 120.23 2jf9 h ASP 351 Ca 0.38 -0.24 -0.03 0.00 0.02 0.00 0.00 57.03 57.16 2jf9 h ASP 351 Cb 0.07 -0.26 -0.01 0.00 0.22 0.00 0.00 39.33 39.35 2jf9 h ASP 351 CO -0.14 0.98 0.03 0.03 -1.72 0.00 0.00 179.24 178.41 2jf9 h ARG 352 N 0.96 0.40 -0.70 3.56 3.08 -0.98 -3.07 114.38 117.63 2jf9 h ARG 352 Ca 0.20 -0.11 0.04 0.00 0.07 0.00 0.00 59.98 60.18 2jf9 h ARG 352 Cb 0.38 -0.05 -0.04 0.00 0.08 0.00 0.00 29.97 30.34 2jf9 h ARG 352 CO 0.00 0.54 0.46 0.93 -1.07 0.00 0.00 179.97 180.84 2jf9 h GLU 353 N 0.20 0.77 -0.92 0.04 5.08 -0.75 -2.07 114.58 116.94 2jf9 h GLU 353 Ca 0.07 -0.05 0.08 0.00 -1.00 0.00 0.00 59.36 58.47 2jf9 h GLU 353 Cb 0.34 -0.17 -0.07 0.00 0.50 0.00 0.00 28.75 29.34 2jf9 h GLU 353 CO 0.01 0.51 0.57 -0.07 -1.00 0.00 0.00 179.01 179.03 2jf9 h LEU 354 N 0.80 0.88 -0.18 1.33 3.38 -0.98 0.14 115.31 120.68 2jf9 h LEU 354 Ca 0.29 0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.29 2jf9 h LEU 354 Cb 0.14 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.73 2jf9 h LEU 354 CO -0.09 0.53 0.12 0.58 0.09 0.00 0.00 178.44 179.67 2jf9 h VAL 355 N 0.99 1.04 0.00 1.22 2.07 -1.30 -2.73 116.25 117.55 2jf9 h VAL 355 Ca 0.42 -0.08 -0.07 0.00 0.82 0.00 0.00 66.70 67.79 2jf9 h VAL 355 Cb 0.28 0.78 -0.01 0.00 -1.52 0.00 0.00 31.29 30.83 2jf9 h VAL 355 CO -0.21 0.04 -0.35 0.45 0.02 0.00 0.00 177.57 177.52 2jf9 h HIS 356 N 0.24 0.00 -0.75 1.57 3.86 -1.33 -2.97 115.15 115.77 2jf9 h HIS 356 Ca 0.07 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.28 2jf9 h HIS 356 Cb -0.03 0.00 -0.04 0.00 1.06 0.00 0.00 27.41 28.41 2jf9 h HIS 356 CO -0.07 0.35 0.47 1.98 0.86 0.00 0.00 177.93 181.52 2jf9 h MET 357 N 0.00 1.00 -0.48 2.45 -1.53 -0.42 -2.19 114.93 113.75 2jf9 h MET 357 Ca -0.00 -0.08 0.02 0.00 -3.44 0.00 0.00 59.70 56.20 2jf9 h MET 357 Cb 0.85 -0.22 -0.03 0.00 -0.55 0.00 0.00 31.60 31.65 2jf9 h MET 357 CO 0.05 0.68 0.29 0.82 0.14 0.00 0.00 176.91 178.89 2jf9 h ILE 358 N 1.02 1.06 -0.36 1.77 2.04 -1.34 0.20 117.51 121.89 2jf9 h ILE 358 Ca 0.27 -0.20 -0.10 0.00 1.00 0.00 0.00 64.86 65.83 2jf9 h ILE 358 Cb -0.07 0.43 -0.02 0.00 -0.74 0.00 0.00 36.82 36.42 2jf9 h ILE 358 CO -0.05 0.11 -0.19 0.78 0.00 0.00 0.00 178.15 178.79 2jf9 h ASN 359 N 0.58 0.68 -0.08 1.72 -0.26 -1.55 -2.47 115.58 114.19 2jf9 h ASN 359 Ca 0.19 -0.22 -0.01 0.00 -0.56 0.00 0.00 56.30 55.70 2jf9 h ASN 359 Cb 0.01 -0.18 -0.00 0.00 -1.06 0.00 0.00 38.32 37.08 2jf9 h ASN 359 CO -0.08 0.87 0.03 -0.25 -1.06 0.00 0.00 177.43 176.93 2jf9 h TRP 360 N 0.60 0.13 -0.84 1.19 7.01 -1.15 -3.17 115.95 119.73 2jf9 h TRP 360 Ca 0.09 -0.01 0.07 0.00 2.11 0.00 0.00 58.89 61.15 2jf9 h TRP 360 Cb 0.66 -0.04 -0.06 0.00 -2.10 0.00 0.00 29.16 27.62 2jf9 h TRP 360 CO 0.03 0.27 0.50 0.00 -2.79 0.00 0.00 178.44 176.46 2jf9 h ALA 361 N 0.85 1.16 0.00 2.65 0.00 -0.73 -0.24 119.26 122.95 2jf9 h ALA 361 Ca 0.03 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.94 2jf9 h ALA 361 Cb 0.20 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 17.79 2jf9 h ALA 361 CO -0.00 0.21 -0.03 0.87 0.00 0.00 0.00 179.25 180.30 2jf9 h LYS 362 N 0.90 0.00 -0.01 0.00 1.57 -1.46 -1.75 116.57 115.81 2jf9 h LYS 362 Ca 0.38 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.16 2jf9 h LYS 362 Cb 0.23 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.54 2jf9 h LYS 362 CO -0.20 0.03 -0.26 0.54 -0.57 0.00 0.00 179.45 178.99 2jf9 n ARG 363 N -3.28 1.23 -2.41 3.15 1.74 -0.13 -4.55 116.66 112.40 2jf9 n ARG 363 Ca -0.02 -0.86 -0.43 0.00 -0.77 0.00 0.00 57.85 55.77 2jf9 n ARG 363 Cb 0.17 -1.48 -0.02 0.00 -1.02 0.00 0.00 32.46 30.10 2jf9 n ARG 363 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 2jf9 s VAL 364 N -2.37 4.21 -0.09 1.55 1.01 -0.66 -4.83 120.40 119.22 2jf9 s VAL 364 Ca 0.25 1.50 -0.37 0.00 0.00 0.00 0.00 61.98 63.36 2jf9 s VAL 364 Cb 0.19 -3.97 -0.15 0.00 0.00 0.00 0.00 36.38 32.46 2jf9 s VAL 364 CO 0.49 -0.08 1.65 -2.65 0.00 0.00 0.00 175.10 174.51 2jf9 n PRO 365 N 6.03 1.48 0.00 2.72 -0.02 -1.26 -1.81 135.00 142.15 2jf9 n PRO 365 Ca 0.13 0.54 0.00 0.00 -2.02 0.00 0.00 63.50 62.15 2jf9 n PRO 365 Cb 0.45 -2.26 0.00 0.00 -0.02 0.00 0.00 33.50 31.67 2jf9 n PRO 365 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2jf9 n GLY 366 N 3.71 2.63 0.20 -1.23 0.00 -1.26 -4.94 105.19 104.30 2jf9 n GLY 366 Ca 0.22 -0.05 -0.06 0.00 0.00 0.00 0.00 46.02 46.13 2jf9 n GLY 366 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 2jf9 h PHE 367 N 0.00 0.56 0.00 1.61 3.57 -1.63 -2.50 116.94 118.55 2jf9 h PHE 367 Ca 0.00 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.52 2jf9 h PHE 367 Cb 0.00 -0.19 0.00 0.00 2.79 0.00 0.00 35.95 38.55 2jf9 h PHE 367 CO 0.00 0.34 0.00 -0.24 -2.23 0.00 0.00 178.31 176.18 2jf9 h VAL 368 N 0.61 0.00 0.00 1.41 3.04 -1.80 -2.31 116.25 117.19 2jf9 h VAL 368 Ca 0.19 -0.41 -0.05 0.00 -1.01 0.00 0.00 66.70 65.41 2jf9 h VAL 368 Cb -0.01 1.29 -0.01 0.00 -2.01 0.00 0.00 31.29 30.55 2jf9 h VAL 368 CO -0.07 0.00 -0.26 0.44 -1.01 0.00 0.00 177.57 176.67 2jf9 h ASP 369 N 0.00 0.00 -4.30 3.17 3.32 -1.83 -3.45 116.42 113.33 2jf9 h ASP 369 Ca 0.00 0.00 -0.51 0.00 0.02 0.00 0.00 57.03 56.54 2jf9 h ASP 369 Cb 0.57 0.00 0.11 0.00 0.22 0.00 0.00 39.33 40.23 2jf9 h ASP 369 CO 0.00 0.26 0.35 -0.76 -1.72 0.00 0.00 179.24 177.37 2jf9 s LEU 370 N -7.14 3.15 0.82 1.55 1.43 -0.87 -5.03 118.68 112.58 2jf9 s LEU 370 Ca -0.01 1.76 -0.11 0.00 -1.03 0.00 0.00 54.13 54.74 2jf9 s LEU 370 Cb 0.12 -4.52 0.08 0.00 0.03 0.00 0.00 46.19 41.91 2jf9 s LEU 370 CO 0.65 -1.69 1.09 0.42 0.23 0.00 0.00 176.35 177.05 2jf9 s THR 371 N -2.86 3.05 0.16 5.49 -4.23 -1.26 -4.81 115.64 111.17 2jf9 s THR 371 Ca 0.61 0.34 -0.18 0.00 -1.18 0.00 0.00 61.69 61.27 2jf9 s THR 371 Cb -0.16 -2.79 0.06 0.00 1.34 0.00 0.00 72.50 70.95 2jf9 s THR 371 CO 0.52 -0.44 1.67 0.25 -0.54 0.00 0.00 174.62 176.08 2jf9 h LEU 372 N -1.31 -0.40 -0.73 4.79 5.85 -1.95 -1.41 115.31 120.15 2jf9 h LEU 372 Ca -0.45 0.11 0.15 0.00 0.84 0.00 0.00 57.88 58.52 2jf9 h LEU 372 Cb 1.25 0.24 -0.10 0.00 0.37 0.00 0.00 40.66 42.42 2jf9 h LEU 372 CO 0.51 -0.14 0.24 -0.74 -0.34 0.00 0.00 178.44 177.97 2jf9 h HIS 373 N -0.04 0.40 -0.30 1.25 2.76 -2.00 -0.89 115.15 116.32 2jf9 h HIS 373 Ca 0.16 0.04 -0.17 0.00 -2.20 0.00 0.00 60.37 58.20 2jf9 h HIS 373 Cb 0.29 -0.06 -0.00 0.00 1.55 0.00 0.00 27.41 29.19 2jf9 h HIS 373 CO -0.33 -0.00 -0.49 -0.44 -1.30 0.00 0.00 177.93 175.37 2jf9 h ASP 374 N 0.36 0.92 0.05 3.26 3.32 -1.78 -1.89 116.42 120.66 2jf9 h ASP 374 Ca 0.40 -0.46 -0.00 0.00 0.02 0.00 0.00 57.03 56.99 2jf9 h ASP 374 Cb 0.64 -0.26 0.00 0.00 0.22 0.00 0.00 39.33 39.93 2jf9 h ASP 374 CO -0.44 1.24 -0.03 1.56 -1.72 0.00 0.00 179.24 179.86 2jf9 h GLN 375 N 0.66 -0.07 -0.39 3.56 4.20 -0.63 -1.48 115.11 120.95 2jf9 h GLN 375 Ca 0.03 0.00 0.05 0.00 0.06 0.00 0.00 58.65 58.80 2jf9 h GLN 375 Cb 1.08 0.02 -0.05 0.00 0.30 0.00 0.00 27.48 28.82 2jf9 h GLN 375 CO 0.11 -0.04 0.11 0.28 -0.67 0.00 0.00 178.83 178.61 2jf9 h VAL 376 N -0.08 0.84 -0.24 -0.54 2.07 -1.17 -1.63 116.25 115.51 2jf9 h VAL 376 Ca -0.01 -0.09 0.00 0.00 0.82 0.00 0.00 66.70 67.43 2jf9 h VAL 376 Cb 0.06 0.57 -0.01 0.00 -1.52 0.00 0.00 31.29 30.38 2jf9 h VAL 376 CO 0.01 0.05 0.15 -0.74 0.02 0.00 0.00 177.57 177.06 2jf9 h HIS 377 N 0.25 0.28 -0.37 1.57 -0.00 -1.15 0.25 115.15 115.97 2jf9 h HIS 377 Ca 0.18 0.01 -0.05 0.00 -0.00 0.00 0.00 60.37 60.52 2jf9 h HIS 377 Cb 0.20 -0.09 -0.01 0.00 -0.00 0.00 0.00 27.41 27.50 2jf9 h HIS 377 CO -0.17 0.18 0.05 -0.07 -0.00 0.00 0.00 177.93 177.92 2jf9 h LEU 378 N 0.31 0.60 -0.40 0.26 3.38 -1.15 -1.97 115.31 116.33 2jf9 h LEU 378 Ca 0.09 -0.27 -0.07 0.00 0.09 0.00 0.00 57.88 57.72 2jf9 h LEU 378 Cb -0.03 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 40.55 2jf9 h LEU 378 CO -0.03 0.72 -0.03 -0.07 0.09 0.00 0.00 178.44 179.12 2jf9 h LEU 379 N 0.46 0.72 -1.20 1.67 3.38 -1.13 -1.64 115.31 117.58 2jf9 h LEU 379 Ca 0.11 -0.33 0.05 0.00 0.09 0.00 0.00 57.88 57.81 2jf9 h LEU 379 Cb 0.38 -0.19 -0.05 0.00 0.09 0.00 0.00 40.66 40.88 2jf9 h LEU 379 CO 0.01 0.87 0.56 -0.08 0.09 0.00 0.00 178.44 179.89 2jf9 h GLU 380 N 0.55 0.97 -0.07 1.13 4.57 -0.41 -1.89 114.58 119.43 2jf9 h GLU 380 Ca 0.11 -0.06 -0.25 0.00 -1.18 0.00 0.00 59.36 57.98 2jf9 h GLU 380 Cb 0.52 -0.22 0.02 0.00 -0.16 0.00 0.00 28.75 28.91 2jf9 h GLU 380 CO 0.03 0.64 -0.93 0.00 -1.18 0.00 0.00 179.01 177.57 2jf9 n ALA 382 N -2.63 4.21 -0.25 0.00 0.00 -0.63 -4.72 120.51 116.49 2jf9 n ALA 382 Ca -0.10 -0.54 -0.05 0.00 0.00 0.00 0.00 53.44 52.75 2jf9 n ALA 382 Cb 0.83 -0.82 0.06 0.00 0.00 0.00 0.00 19.45 19.51 2jf9 n ALA 382 CO 0.00 0.00 0.00 0.11 0.00 0.00 0.00 177.50 177.61 2jf9 h TRP 383 N 0.00 0.86 -0.23 0.00 5.08 -1.54 -0.14 115.95 119.98 2jf9 h TRP 383 Ca 0.00 0.02 -0.13 0.00 1.08 0.00 0.00 58.89 59.86 2jf9 h TRP 383 Cb 0.60 -0.29 -0.01 0.00 -3.00 0.00 0.00 29.16 26.46 2jf9 h TRP 383 CO 0.00 0.53 -0.40 1.25 -1.28 0.00 0.00 178.44 178.54 2jf9 h LEU 384 N 0.92 0.57 -0.78 0.11 5.85 -1.87 -0.75 115.31 119.35 2jf9 h LEU 384 Ca 0.26 -0.25 -0.01 0.00 0.84 0.00 0.00 57.88 58.72 2jf9 h LEU 384 Cb -0.09 -0.16 -0.04 0.00 0.37 0.00 0.00 40.66 40.74 2jf9 h LEU 384 CO -0.06 0.91 0.44 -0.33 -0.34 0.00 0.00 178.44 179.06 2jf9 h GLU 385 N 0.44 1.08 -0.50 1.25 5.08 -1.62 -0.77 114.58 119.54 2jf9 h GLU 385 Ca 0.04 -0.12 -0.03 0.00 -1.00 0.00 0.00 59.36 58.25 2jf9 h GLU 385 Cb 0.89 -0.22 -0.02 0.00 0.50 0.00 0.00 28.75 29.90 2jf9 h GLU 385 CO 0.08 0.78 0.18 0.82 -1.00 0.00 0.00 179.01 179.87 2jf9 h ILE 386 N 1.08 1.22 -0.70 3.13 2.04 -0.68 -0.32 117.51 123.28 2jf9 h ILE 386 Ca 0.28 -0.71 0.00 0.00 1.00 0.00 0.00 64.86 65.43 2jf9 h ILE 386 Cb 0.01 0.75 -0.03 0.00 -0.74 0.00 0.00 36.82 36.80 2jf9 h ILE 386 CO -0.05 0.26 0.46 -0.07 0.00 0.00 0.00 178.15 178.75 2jf9 h LEU 387 N 0.66 0.81 -0.25 1.44 3.38 -0.90 -2.45 115.31 118.01 2jf9 h LEU 387 Ca 0.16 -0.03 -0.17 0.00 0.09 0.00 0.00 57.88 57.94 2jf9 h LEU 387 Cb 0.23 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 40.78 2jf9 h LEU 387 CO -0.01 0.60 -0.49 0.24 0.09 0.00 0.00 178.44 178.87 2jf9 h MET 388 N 0.95 0.77 -0.59 1.13 2.86 -0.93 -0.88 114.93 118.25 2jf9 h MET 388 Ca 0.26 -0.50 -0.07 0.00 -2.06 0.00 0.00 59.70 57.33 2jf9 h MET 388 Cb -0.09 0.06 -0.03 0.00 0.06 0.00 0.00 31.60 31.60 2jf9 h MET 388 CO -0.05 1.12 0.10 0.97 1.06 0.00 0.00 176.91 180.11 2jf9 h ILE 389 N 0.51 1.25 -0.55 -1.22 2.10 -1.06 0.22 117.51 118.75 2jf9 h ILE 389 Ca 0.01 -0.94 -0.01 0.00 1.08 0.00 0.00 64.86 65.00 2jf9 h ILE 389 Cb 1.10 0.69 -0.03 0.00 -1.09 0.00 0.00 36.82 37.49 2jf9 h ILE 389 CO 0.11 0.35 0.31 1.23 -1.08 0.00 0.00 178.15 179.07 2jf9 h GLY 390 N 1.02 0.82 0.93 8.18 0.00 -1.35 -0.41 103.07 112.26 2jf9 h GLY 390 Ca 0.18 -0.37 0.01 0.00 0.00 0.00 0.00 47.33 47.16 2jf9 h GLY 390 CO 0.01 0.35 0.18 -2.00 0.00 0.00 0.00 176.54 175.08 2jf9 h LEU 391 N 0.75 0.29 -0.32 3.11 5.85 -0.65 -1.48 115.31 122.86 2jf9 h LEU 391 Ca 0.20 0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.92 2jf9 h LEU 391 Cb 0.03 -0.06 -0.02 0.00 0.37 0.00 0.00 40.66 40.99 2jf9 h LEU 391 CO -0.03 0.21 0.19 0.58 -0.34 0.00 0.00 178.44 179.05 2jf9 h VAL 392 N 0.37 1.11 -0.19 1.05 2.07 -0.79 -2.02 116.25 117.85 2jf9 h VAL 392 Ca 0.12 -0.27 0.05 0.00 0.82 0.00 0.00 66.70 67.41 2jf9 h VAL 392 Cb -0.00 0.72 -0.05 0.00 -1.52 0.00 0.00 31.29 30.45 2jf9 h VAL 392 CO -0.06 0.11 -0.10 -0.25 0.02 0.00 0.00 177.57 177.29 2jf9 h TRP 393 N 0.40 -0.25 0.00 1.57 2.91 -0.89 -2.41 115.95 117.29 2jf9 h TRP 393 Ca 0.11 0.02 0.00 0.00 1.13 0.00 0.00 58.89 60.16 2jf9 h TRP 393 Cb 0.02 0.14 0.00 0.00 -0.51 0.00 0.00 29.16 28.81 2jf9 h TRP 393 CO -0.04 -0.16 0.00 0.07 -1.03 0.00 0.00 178.44 177.28 2jf9 h ARG 394 N -0.09 0.00 -0.00 2.65 0.11 -1.07 -2.25 114.38 113.73 2jf9 h ARG 394 Ca 0.11 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.19 2jf9 h ARG 394 Cb 0.25 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.33 2jf9 h ARG 394 CO -0.25 0.00 -0.37 0.43 0.10 0.00 0.00 179.97 179.89 2jf9 n SER 395 N -2.35 0.64 -0.22 0.08 7.64 -0.78 -4.51 113.62 114.12 2jf9 n SER 395 Ca 0.02 -0.45 0.02 0.00 1.01 0.00 0.00 58.87 59.48 2jf9 n SER 395 Cb 0.27 0.15 0.13 0.00 -1.01 0.00 0.00 64.21 63.76 2jf9 n SER 395 CO 0.00 0.00 0.00 -0.03 -3.01 0.00 0.00 175.04 172.00 2jf9 h MET 396 N 0.44 0.35 -0.58 1.43 -1.53 -0.93 -0.03 114.93 114.07 2jf9 h MET 396 Ca 0.00 -0.02 0.00 0.00 -3.44 0.00 0.00 59.70 56.24 2jf9 h MET 396 Cb 0.49 -0.08 0.00 0.00 -0.55 0.00 0.00 31.60 31.46 2jf9 h MET 396 CO 0.00 0.23 0.00 0.39 0.14 0.00 0.00 176.91 177.67 2jf9 n GLU 397 N -5.05 2.44 -3.47 0.39 -0.58 -1.26 -4.40 120.64 108.70 2jf9 n GLU 397 Ca 0.11 -1.50 -0.27 0.00 -0.42 0.00 0.00 57.16 55.08 2jf9 n GLU 397 Cb 0.34 -1.59 -0.09 0.00 -0.57 0.00 0.00 31.44 29.53 2jf9 n GLU 397 CO 0.00 0.00 0.00 0.72 -0.48 0.00 0.00 177.13 177.37 2jf9 n HIS 398 N 0.47 2.39 -1.63 -0.32 8.25 -0.03 -5.11 115.22 119.24 2jf9 n HIS 398 Ca 0.14 -4.00 -0.47 0.00 -0.26 0.00 0.00 57.72 53.13 2jf9 n HIS 398 Cb 0.53 -0.46 -0.03 0.00 1.12 0.00 0.00 29.99 31.14 2jf9 n HIS 398 CO 0.00 0.00 0.00 -2.30 0.64 0.00 0.00 176.34 174.68 2jf9 n PRO 399 N 1.34 1.70 -0.17 -0.41 -0.02 -1.26 -1.55 135.00 134.64 2jf9 n PRO 399 Ca 0.26 0.61 0.00 0.00 -2.02 0.00 0.00 63.50 62.35 2jf9 n PRO 399 Cb 0.43 -2.22 0.00 0.00 -0.02 0.00 0.00 33.50 31.69 2jf9 n PRO 399 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2jf9 n GLY 400 N 2.24 1.98 3.27 -1.23 0.00 -1.26 -5.01 105.19 105.18 2jf9 n GLY 400 Ca 0.14 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.96 2jf9 n GLY 400 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2jf9 s LYS 401 N -0.24 1.10 -0.20 1.61 1.02 -0.59 -3.92 119.74 118.51 2jf9 s LYS 401 Ca 0.00 -1.26 -0.03 0.00 0.02 0.00 0.00 55.97 54.70 2jf9 s LYS 401 Cb 0.00 -1.09 -0.01 0.00 -0.52 0.00 0.00 37.83 36.21 2jf9 s LYS 401 CO 0.00 0.22 -0.06 -0.51 -0.92 0.00 0.00 175.35 174.08 2jf9 s LEU 402 N -2.39 2.84 -1.09 3.17 1.43 0.59 -4.84 118.68 118.40 2jf9 s LEU 402 Ca 0.10 -0.38 -0.12 0.00 -1.03 0.00 0.00 54.13 52.69 2jf9 s LEU 402 Cb -0.06 -1.71 0.22 0.00 0.03 0.00 0.00 46.19 44.67 2jf9 s LEU 402 CO 0.04 0.02 1.18 -0.22 0.23 0.00 0.00 176.35 177.60 2jf9 s LEU 403 N 1.25 5.81 0.20 1.79 0.20 -1.26 -1.04 118.68 125.62 2jf9 s LEU 403 Ca 0.03 -3.09 -0.11 0.00 0.69 0.00 0.00 54.13 51.65 2jf9 s LEU 403 Cb -0.14 -2.30 0.14 0.00 -0.43 0.00 0.00 46.19 43.46 2jf9 s LEU 403 CO -0.02 -0.57 1.86 -0.26 -0.29 0.00 0.00 176.35 177.06 2jf9 h PHE 404 N 7.23 0.91 -3.89 5.38 0.04 -1.56 -3.43 116.94 121.63 2jf9 h PHE 404 Ca 0.21 0.01 -0.10 0.00 2.80 0.00 0.00 57.97 60.89 2jf9 h PHE 404 Cb 0.91 -0.31 -0.13 0.00 2.20 0.00 0.00 35.95 38.63 2jf9 h PHE 404 CO 0.96 0.60 -0.34 0.00 -0.60 0.00 0.00 178.31 178.92 2jf9 s ALA 405 N -6.06 -0.01 0.61 2.45 0.00 -1.02 -4.92 121.76 112.80 2jf9 s ALA 405 Ca -0.13 -0.85 0.33 0.00 0.00 0.00 0.00 51.96 51.31 2jf9 s ALA 405 Cb 0.14 0.78 1.93 0.00 0.00 0.00 0.00 23.12 25.97 2jf9 s ALA 405 CO 0.78 -0.61 2.26 -1.35 0.00 0.00 0.00 175.76 176.84 2jf9 h PRO 406 N 2.60 0.00 -0.35 0.00 0.11 -1.88 -0.83 132.00 131.65 2jf9 h PRO 406 Ca -0.32 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.79 2jf9 h PRO 406 Cb 1.22 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.33 2jf9 h PRO 406 CO 0.50 0.00 0.00 0.27 -0.21 0.00 0.00 178.00 178.56 2jf9 n ASN 407 N -3.68 4.15 -3.43 -2.05 6.94 -1.26 -4.79 115.26 111.13 2jf9 n ASN 407 Ca -0.02 -2.86 -0.25 0.00 -0.02 0.00 0.00 54.58 51.43 2jf9 n ASN 407 Cb 0.11 -0.54 -0.11 0.00 -2.36 0.00 0.00 39.78 36.89 2jf9 n ASN 407 CO 0.00 0.00 0.00 -0.22 -1.03 0.00 0.00 177.26 176.01 2jf9 s LEU 408 N -2.55 0.60 -0.21 -4.53 2.96 -0.32 -4.90 118.68 109.73 2jf9 s LEU 408 Ca 0.43 -1.90 -0.02 0.00 -0.22 0.00 0.00 54.13 52.42 2jf9 s LEU 408 Cb 0.33 -0.08 0.01 0.00 0.50 0.00 0.00 46.19 46.95 2jf9 s LEU 408 CO 0.12 -0.31 -0.11 -0.22 -1.32 0.00 0.00 176.35 174.51 2jf9 s LEU 409 N 1.29 2.64 0.01 -0.68 2.96 -1.26 -1.33 118.68 122.32 2jf9 s LEU 409 Ca 0.17 -0.58 0.08 0.00 -0.22 0.00 0.00 54.13 53.59 2jf9 s LEU 409 Cb -0.20 -1.62 -0.02 0.00 0.50 0.00 0.00 46.19 44.84 2jf9 s LEU 409 CO -0.04 -0.03 -0.26 -0.76 -1.32 0.00 0.00 176.35 173.94 2jf9 s LEU 410 N 1.38 2.11 0.52 -0.68 1.43 -0.21 -4.93 118.68 118.29 2jf9 s LEU 410 Ca 0.04 -0.52 0.09 0.00 -1.03 0.00 0.00 54.13 52.71 2jf9 s LEU 410 Cb -0.14 -1.28 0.05 0.00 0.03 0.00 0.00 46.19 44.85 2jf9 s LEU 410 CO -0.07 0.28 0.67 1.51 0.23 0.00 0.00 176.35 178.97 2jf9 s ASP 411 N -0.92 5.20 0.41 2.29 -4.77 -1.26 -0.30 116.67 117.32 2jf9 s ASP 411 Ca 0.11 -0.77 0.10 0.00 -3.30 0.00 0.00 52.55 48.68 2jf9 s ASP 411 Cb -0.10 0.00 0.88 0.00 -1.09 0.00 0.00 42.92 42.61 2jf9 s ASP 411 CO 0.01 -1.12 1.99 0.08 0.70 0.00 0.00 175.17 176.83 2jf9 h ARG 412 N 0.41 0.30 -0.54 2.11 0.11 -1.97 -1.84 114.38 112.96 2jf9 h ARG 412 Ca -0.34 -0.04 -0.05 0.00 0.10 0.00 0.00 59.98 59.65 2jf9 h ARG 412 Cb 1.29 -0.06 -0.03 0.00 1.11 0.00 0.00 29.97 32.29 2jf9 h ARG 412 CO 0.45 0.32 0.14 -0.91 0.10 0.00 0.00 179.97 180.07 2jf9 h ASN 413 N 0.30 0.77 0.48 0.08 2.35 -1.95 -1.78 115.58 115.84 2jf9 h ASN 413 Ca 0.07 -0.13 -0.07 0.00 -0.55 0.00 0.00 56.30 55.62 2jf9 h ASN 413 Cb 0.18 -0.20 -0.01 0.00 0.05 0.00 0.00 38.32 38.34 2jf9 h ASN 413 CO 0.00 0.75 -0.36 1.56 -1.65 0.00 0.00 177.43 177.73 2jf9 h GLN 414 N 0.80 0.00 -0.15 0.81 4.20 -1.73 -2.42 115.11 116.62 2jf9 h GLN 414 Ca 0.18 0.00 0.04 0.00 0.06 0.00 0.00 58.65 58.93 2jf9 h GLN 414 Cb 0.28 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.05 2jf9 h GLN 414 CO -0.00 0.36 0.14 0.78 -0.67 0.00 0.00 178.83 179.43 2jf9 h GLY 415 N 1.32 0.00 2.00 3.46 0.00 -0.98 -1.49 103.07 107.39 2jf9 h GLY 415 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 2jf9 h GLY 415 CO 0.05 0.00 0.00 0.28 0.00 0.00 0.00 176.54 176.87 2jf9 n LYS 416 N -4.08 0.06 0.24 4.80 5.02 -0.91 -2.74 118.16 120.55 2jf9 n LYS 416 Ca 0.01 0.33 0.07 0.00 -2.02 0.00 0.00 58.31 56.70 2jf9 n LYS 416 Cb 0.26 -1.62 0.58 0.00 -0.02 0.00 0.00 35.03 34.23 2jf9 n LYS 416 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2jf9 s VAL 418 N -4.73 3.56 0.05 0.00 1.01 -1.11 -3.66 120.40 115.51 2jf9 s VAL 418 Ca -0.04 -0.44 -0.35 0.00 0.00 0.00 0.00 61.98 61.15 2jf9 s VAL 418 Cb 0.16 -2.60 -0.13 0.00 0.00 0.00 0.00 36.38 33.80 2jf9 s VAL 418 CO 0.67 0.44 1.67 -1.84 0.00 0.00 0.00 175.10 176.04 2jf9 n GLU 419 N 4.45 2.02 -0.37 2.72 0.00 -1.26 -1.26 120.64 126.94 2jf9 n GLU 419 Ca -0.18 0.73 0.00 0.00 0.00 0.00 0.00 57.16 57.72 2jf9 n GLU 419 Cb 0.51 -2.51 0.00 0.00 0.00 0.00 0.00 31.44 29.44 2jf9 n GLU 419 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 2jf9 n GLY 420 N 3.71 2.07 0.11 -1.84 0.00 -1.26 -4.90 105.19 103.07 2jf9 n GLY 420 Ca 0.20 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.20 2jf9 n GLY 420 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 173.32 175.30 2jf9 h MET 421 N 2.54 0.00 -0.13 1.61 1.85 -1.37 -3.33 114.93 116.10 2jf9 h MET 421 Ca 0.00 0.00 -0.04 0.00 -0.61 0.00 0.00 59.70 59.05 2jf9 h MET 421 Cb 0.00 0.00 -0.01 0.00 0.43 0.00 0.00 31.60 32.02 2jf9 h MET 421 CO 0.00 0.71 -0.08 -0.24 -0.40 0.00 0.00 176.91 176.89 2jf9 h VAL 422 N 0.00 1.14 -0.70 -5.77 3.04 -1.74 -0.82 116.25 111.40 2jf9 h VAL 422 Ca -0.01 -0.60 -0.05 0.00 -1.01 0.00 0.00 66.70 65.04 2jf9 h VAL 422 Cb 1.53 1.14 -0.03 0.00 -2.01 0.00 0.00 31.29 31.92 2jf9 h VAL 422 CO 0.09 0.19 0.24 -0.33 -1.01 0.00 0.00 177.57 176.75 2jf9 h GLU 423 N 0.19 1.08 -0.20 4.17 3.07 -1.93 0.08 114.58 121.04 2jf9 h GLU 423 Ca 0.04 -0.22 -0.06 0.00 -0.50 0.00 0.00 59.36 58.62 2jf9 h GLU 423 Cb 0.27 -0.16 -0.00 0.00 -0.84 0.00 0.00 28.75 28.02 2jf9 h GLU 423 CO 0.01 0.91 -0.11 0.82 -1.40 0.00 0.00 179.01 179.24 2jf9 h ILE 424 N 1.02 1.31 -0.56 3.13 2.04 -1.53 -2.80 117.51 120.12 2jf9 h ILE 424 Ca 0.23 -1.20 0.11 0.00 1.00 0.00 0.00 64.86 65.00 2jf9 h ILE 424 Cb 0.27 1.68 -0.09 0.00 -0.74 0.00 0.00 36.82 37.94 2jf9 h ILE 424 CO -0.01 0.36 0.06 -0.26 0.00 0.00 0.00 178.15 178.30 2jf9 h PHE 425 N 0.11 0.08 -0.94 1.37 -1.00 -0.93 -1.10 116.94 114.53 2jf9 h PHE 425 Ca 0.04 0.04 0.01 0.00 2.81 0.00 0.00 57.97 60.87 2jf9 h PHE 425 Cb 0.61 0.05 -0.05 0.00 3.61 0.00 0.00 35.95 40.17 2jf9 h PHE 425 CO 0.07 -0.08 0.62 -0.44 -1.61 0.00 0.00 178.31 176.87 2jf9 h ASP 426 N 0.18 1.07 -0.35 2.17 3.32 -0.92 0.85 116.42 122.74 2jf9 h ASP 426 Ca 0.29 -0.02 -0.08 0.00 0.02 0.00 0.00 57.03 57.23 2jf9 h ASP 426 Cb 0.44 -0.26 -0.01 0.00 0.22 0.00 0.00 39.33 39.71 2jf9 h ASP 426 CO -0.42 0.77 -0.11 0.24 -1.72 0.00 0.00 179.24 178.00 2jf9 h MET 427 N 1.26 0.70 -0.75 3.56 2.86 -1.10 -1.32 114.93 120.14 2jf9 h MET 427 Ca 0.35 -0.28 -0.04 0.00 -2.06 0.00 0.00 59.70 57.68 2jf9 h MET 427 Cb -0.12 -0.03 -0.03 0.00 0.06 0.00 0.00 31.60 31.48 2jf9 h MET 427 CO -0.08 0.87 0.32 -0.07 1.06 0.00 0.00 176.91 179.00 2jf9 h LEU 428 N 0.48 1.01 -0.47 1.22 3.38 -0.70 -1.80 115.31 118.44 2jf9 h LEU 428 Ca 0.09 -0.16 -0.06 0.00 0.09 0.00 0.00 57.88 57.84 2jf9 h LEU 428 Cb 0.62 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 41.09 2jf9 h LEU 428 CO 0.04 0.89 0.07 -0.07 0.09 0.00 0.00 178.44 179.46 2jf9 h LEU 429 N 1.07 0.75 -1.30 1.67 3.38 -0.73 -0.81 115.31 119.34 2jf9 h LEU 429 Ca 0.25 -0.27 -0.01 0.00 0.09 0.00 0.00 57.88 57.95 2jf9 h LEU 429 Cb 0.18 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 40.70 2jf9 h LEU 429 CO -0.02 0.83 0.36 0.00 0.09 0.00 0.00 178.44 179.69 2jf9 h ALA 430 N 0.95 1.47 -0.34 1.53 0.00 -1.14 -0.69 119.26 121.04 2jf9 h ALA 430 Ca 0.14 -0.08 -0.16 0.00 0.00 0.00 0.00 54.91 54.81 2jf9 h ALA 430 Cb 0.40 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 2jf9 h ALA 430 CO 0.01 0.45 -0.42 1.15 0.00 0.00 0.00 179.25 180.44 2jf9 h THR 431 N 0.85 1.28 -0.57 0.00 2.02 -0.98 -1.07 112.91 114.44 2jf9 h THR 431 Ca 0.22 -1.60 -0.09 0.00 0.77 0.00 0.00 66.41 65.71 2jf9 h THR 431 Cb -0.02 1.46 -0.02 0.00 -1.74 0.00 0.00 68.15 67.83 2jf9 h THR 431 CO -0.04 0.53 -0.01 -1.28 0.37 0.00 0.00 175.52 175.09 2jf9 h SER 432 N 0.70 0.99 -0.36 4.18 0.87 -0.85 -1.13 113.55 117.94 2jf9 h SER 432 Ca 0.05 -0.31 0.04 0.00 -1.23 0.00 0.00 61.79 60.34 2jf9 h SER 432 Cb 1.01 -0.27 -0.04 0.00 -0.44 0.00 0.00 62.40 62.66 2jf9 h SER 432 CO 0.10 1.06 0.15 -1.28 -0.53 0.00 0.00 176.83 176.33 2jf9 h SER 433 N 0.89 0.19 -0.48 6.23 0.87 -1.06 -1.45 113.55 118.74 2jf9 h SER 433 Ca 0.16 0.03 0.06 0.00 -1.23 0.00 0.00 61.79 60.81 2jf9 h SER 433 Cb 0.56 0.00 -0.05 0.00 -0.44 0.00 0.00 62.40 62.47 2jf9 h SER 433 CO 0.03 0.15 0.18 -0.09 -0.53 0.00 0.00 176.83 176.57 2jf9 h ARG 434 N 0.32 0.35 -0.41 2.24 9.65 -0.82 -1.15 114.38 124.56 2jf9 h ARG 434 Ca 0.16 -0.02 0.07 0.00 -1.10 0.00 0.00 59.98 59.09 2jf9 h ARG 434 Cb 0.11 -0.08 -0.06 0.00 -1.39 0.00 0.00 29.97 28.55 2jf9 h ARG 434 CO -0.15 0.23 0.03 0.74 2.80 0.00 0.00 179.97 183.63 2jf9 h PHE 435 N 0.36 0.04 -0.02 2.20 -1.00 -0.96 -0.42 116.94 117.14 2jf9 h PHE 435 Ca 0.23 0.03 -0.00 0.00 2.81 0.00 0.00 57.97 61.03 2jf9 h PHE 435 Cb 0.22 0.05 -0.00 0.00 3.61 0.00 0.00 35.95 39.83 2jf9 h PHE 435 CO -0.15 -0.05 0.01 -0.09 -1.61 0.00 0.00 178.31 176.42 2jf9 h ARG 436 N 0.14 0.03 -0.04 1.51 2.43 -0.82 -1.05 114.38 116.58 2jf9 h ARG 436 Ca 0.20 -0.00 -0.07 0.00 -0.81 0.00 0.00 59.98 59.30 2jf9 h ARG 436 Cb 0.27 -0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 29.80 2jf9 h ARG 436 CO -0.31 0.06 -0.30 0.52 -1.51 0.00 0.00 179.97 178.44 2jf9 h MET 437 N -0.02 0.07 0.00 0.20 2.86 -0.92 0.56 114.93 117.69 2jf9 h MET 437 Ca 0.01 -0.02 0.00 0.00 -2.06 0.00 0.00 59.70 57.62 2jf9 h MET 437 Cb 0.04 -0.01 0.00 0.00 0.06 0.00 0.00 31.60 31.69 2jf9 h MET 437 CO -0.00 0.37 0.00 -1.33 1.06 0.00 0.00 176.91 177.01 2jf9 n MET 438 N -4.16 0.03 -3.73 1.72 2.81 -0.19 -4.95 117.12 108.64 2jf9 n MET 438 Ca -0.02 0.06 -0.23 0.00 -1.81 0.00 0.00 57.70 55.70 2jf9 n MET 438 Cb 0.36 -1.50 0.03 0.00 -0.71 0.00 0.00 33.22 31.40 2jf9 n MET 438 CO 0.00 0.00 0.00 -1.71 1.51 0.00 0.00 175.97 175.77 2jf9 n ASN 439 N -1.48 -1.68 -4.67 7.83 5.15 0.19 -4.89 115.26 115.70 2jf9 n ASN 439 Ca 0.07 -0.82 -0.45 0.00 -0.60 0.00 0.00 54.58 52.78 2jf9 n ASN 439 Cb 0.29 -4.02 -0.03 0.00 -0.53 0.00 0.00 39.78 35.49 2jf9 n ASN 439 CO 0.00 0.00 0.00 -0.11 1.40 0.00 0.00 177.26 178.55 2jf9 n LEU 440 N -4.34 3.06 -4.93 1.20 7.94 -0.50 -4.97 117.00 114.45 2jf9 n LEU 440 Ca -0.25 1.13 -0.27 0.00 -1.11 0.00 0.00 56.01 55.51 2jf9 n LEU 440 Cb 0.66 -1.42 -0.03 0.00 0.53 0.00 0.00 43.42 43.15 2jf9 n LEU 440 CO 0.69 -0.45 -0.01 -1.10 -1.11 0.00 0.00 177.39 175.41 2jf9 s GLN 441 N -0.06 3.49 0.34 1.96 -1.52 -1.26 -4.97 119.66 117.64 2jf9 s GLN 441 Ca 0.71 -0.44 0.02 0.00 -1.95 0.00 0.00 55.36 53.70 2jf9 s GLN 441 Cb -0.66 -2.88 0.62 0.00 -0.22 0.00 0.00 33.01 29.86 2jf9 s GLN 441 CO 0.47 0.44 2.00 0.78 -0.25 0.00 0.00 175.29 178.72 2jf9 h GLY 442 N 2.00 0.94 1.36 3.09 0.00 -1.99 -0.66 103.07 107.80 2jf9 h GLY 442 Ca -0.48 -0.35 -0.03 0.00 0.00 0.00 0.00 47.33 46.47 2jf9 h GLY 442 CO 0.68 0.33 0.21 0.83 0.00 0.00 0.00 176.54 178.60 2jf9 h GLU 443 N 0.89 0.82 -0.22 4.80 3.07 -1.98 -2.08 114.58 119.88 2jf9 h GLU 443 Ca 0.25 -0.13 -0.10 0.00 -0.50 0.00 0.00 59.36 58.88 2jf9 h GLU 443 Cb -0.08 -0.14 -0.00 0.00 -0.84 0.00 0.00 28.75 27.69 2jf9 h GLU 443 CO -0.06 0.68 -0.25 0.93 -1.40 0.00 0.00 179.01 178.91 2jf9 h GLU 444 N 0.81 0.57 -0.49 2.33 5.08 -1.76 -3.08 114.58 118.04 2jf9 h GLU 444 Ca 0.19 -0.31 0.08 0.00 -1.00 0.00 0.00 59.36 58.32 2jf9 h GLU 444 Cb 0.18 0.02 -0.07 0.00 0.50 0.00 0.00 28.75 29.38 2jf9 h GLU 444 CO -0.02 0.90 0.11 0.35 -1.00 0.00 0.00 179.01 179.36 2jf9 h PHE 445 N 0.26 0.18 -0.20 4.33 3.57 -0.91 -1.08 116.94 123.10 2jf9 h PHE 445 Ca 0.03 0.03 -0.09 0.00 3.53 0.00 0.00 57.97 61.47 2jf9 h PHE 445 Cb 0.81 -0.01 -0.01 0.00 2.79 0.00 0.00 35.95 39.53 2jf9 h PHE 445 CO 0.08 0.01 -0.25 -0.39 -2.23 0.00 0.00 178.31 175.53 2jf9 h VAL 446 N 0.25 1.26 -0.15 1.41 -1.51 -1.42 -0.99 116.25 115.10 2jf9 h VAL 446 Ca 0.24 -1.21 -0.01 0.00 -1.23 0.00 0.00 66.70 64.50 2jf9 h VAL 446 Cb 0.31 1.39 -0.01 0.00 -2.13 0.00 0.00 31.29 30.85 2jf9 h VAL 446 CO -0.30 0.38 0.06 0.00 -1.23 0.00 0.00 177.57 176.48 2jf9 h LEU 448 N 0.09 0.86 -0.76 0.00 3.38 -0.74 -0.92 115.31 117.21 2jf9 h LEU 448 Ca 0.05 -0.10 -0.08 0.00 0.09 0.00 0.00 57.88 57.83 2jf9 h LEU 448 Cb 0.15 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.66 2jf9 h LEU 448 CO -0.01 0.72 0.01 0.50 0.09 0.00 0.00 178.44 179.75 2jf9 h LYS 449 N 0.94 0.95 -0.11 1.13 3.64 -1.18 -1.62 116.57 120.32 2jf9 h LYS 449 Ca 0.24 -0.28 -0.14 0.00 -1.27 0.00 0.00 60.65 59.20 2jf9 h LYS 449 Cb 0.05 -0.10 -0.01 0.00 -0.41 0.00 0.00 32.23 31.76 2jf9 h LYS 449 CO -0.04 0.93 -0.55 0.77 -2.27 0.00 0.00 179.45 178.29 2jf9 h SER 450 N 0.88 0.38 -0.88 4.20 0.02 -1.27 -2.69 113.55 114.19 2jf9 h SER 450 Ca 0.17 -0.20 0.03 0.00 -0.84 0.00 0.00 61.79 60.95 2jf9 h SER 450 Cb 0.50 -0.11 -0.05 0.00 0.14 0.00 0.00 62.40 62.88 2jf9 h SER 450 CO 0.02 0.86 0.57 0.40 -1.14 0.00 0.00 176.83 177.54 2jf9 h ILE 451 N 0.26 1.15 -0.38 3.27 2.04 -0.89 -2.08 117.51 120.89 2jf9 h ILE 451 Ca 0.00 -0.38 0.01 0.00 1.00 0.00 0.00 64.86 65.50 2jf9 h ILE 451 Cb 1.05 -0.05 -0.02 0.00 -0.74 0.00 0.00 36.82 37.06 2jf9 h ILE 451 CO 0.09 0.20 0.23 0.40 0.00 0.00 0.00 178.15 179.07 2jf9 h ILE 452 N 1.10 1.05 -0.54 -0.67 2.04 -1.11 0.20 117.51 119.59 2jf9 h ILE 452 Ca 0.35 -0.16 0.03 0.00 1.00 0.00 0.00 64.86 66.07 2jf9 h ILE 452 Cb -0.00 0.55 -0.04 0.00 -0.74 0.00 0.00 36.82 36.59 2jf9 h ILE 452 CO -0.11 0.08 0.32 0.25 0.00 0.00 0.00 178.15 178.69 2jf9 h LEU 453 N 0.46 0.52 0.00 1.44 5.85 -1.25 -1.53 115.31 120.81 2jf9 h LEU 453 Ca 0.15 0.00 -0.11 0.00 0.84 0.00 0.00 57.88 58.77 2jf9 h LEU 453 Cb -0.01 -0.10 -0.02 0.00 0.37 0.00 0.00 40.66 40.90 2jf9 h LEU 453 CO -0.06 0.36 -0.62 -0.07 -0.34 0.00 0.00 178.44 177.71 2jf9 h LEU 454 N 0.64 0.00 0.02 2.25 3.38 -1.05 -3.40 115.31 117.15 2jf9 h LEU 454 Ca 0.22 0.00 -0.38 0.00 0.09 0.00 0.00 57.88 57.81 2jf9 h LEU 454 Cb 0.03 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 40.72 2jf9 h LEU 454 CO -0.10 0.47 -2.34 -3.20 0.09 0.00 0.00 178.44 173.36 2jf9 n ASN 455 N -3.15 1.48 -0.31 -0.43 5.15 0.67 -4.28 115.26 114.38 2jf9 n ASN 455 Ca 0.00 -0.02 -0.03 0.00 -0.60 0.00 0.00 54.58 53.94 2jf9 n ASN 455 Cb 0.73 -0.14 0.12 0.00 -0.53 0.00 0.00 39.78 39.97 2jf9 n ASN 455 CO 0.00 0.00 0.00 0.28 1.40 0.00 0.00 177.26 178.94 2jf9 h SER 456 N 0.01 1.07 -0.70 1.20 0.02 -1.48 -1.50 113.55 112.17 2jf9 h SER 456 Ca -0.53 -0.08 0.00 0.00 -0.84 0.00 0.00 61.79 60.34 2jf9 h SER 456 Cb 2.01 -0.27 0.00 0.00 0.14 0.00 0.00 62.40 64.28 2jf9 h SER 456 CO -0.02 0.85 0.00 0.61 -1.14 0.00 0.00 176.83 177.12 2jf9 n GLY 457 N -1.19 2.54 0.09 -3.77 0.00 -1.26 -4.75 105.19 96.85 2jf9 n GLY 457 Ca 0.09 -0.82 0.11 0.00 0.00 0.00 0.00 46.02 45.40 2jf9 n GLY 457 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 2jf9 n VAL 458 N 1.43 0.80 -0.11 1.61 3.14 -0.57 -2.48 118.33 122.15 2jf9 n VAL 458 Ca 0.25 0.16 -0.23 0.00 -2.96 0.00 0.00 64.34 61.56 2jf9 n VAL 458 Cb 0.74 -1.02 -0.12 0.00 -1.06 0.00 0.00 33.84 32.39 2jf9 n VAL 458 CO 0.00 0.00 0.00 -1.22 -6.46 0.00 0.00 176.83 169.15 2jf9 n TYR 459 N -2.02 0.39 -0.36 1.45 4.01 -1.26 -5.06 117.16 114.30 2jf9 n TYR 459 Ca 0.03 0.12 -0.02 0.00 -0.16 0.00 0.00 57.90 57.87 2jf9 n TYR 459 Cb 0.25 -1.04 -0.02 0.00 -0.31 0.00 0.00 39.34 38.21 2jf9 n TYR 459 CO 0.00 0.00 0.00 0.25 -0.46 0.00 0.00 176.86 176.65 2jf9 n THR 460 N -3.83 1.31 -0.33 -0.72 -2.24 -1.04 -5.24 114.28 102.19 2jf9 n THR 460 Ca -0.44 -0.44 0.30 0.00 -2.27 0.00 0.00 64.05 61.20 2jf9 n THR 460 Cb 0.91 -1.42 0.51 0.00 -2.10 0.00 0.00 70.33 68.24 2jf9 n THR 460 CO 0.00 0.00 0.00 1.21 -0.57 0.00 0.00 175.07 175.71 2jf9 n GLU 470 N 1.96 -0.04 0.18 -0.78 4.07 -1.26 -5.14 120.64 119.63 2jf9 n GLU 470 Ca 0.06 1.04 0.18 0.00 -0.06 0.00 0.00 57.16 58.38 2jf9 n GLU 470 Cb 0.35 -1.97 0.80 0.00 -0.06 0.00 0.00 31.44 30.56 2jf9 n GLU 470 CO 0.00 0.00 0.00 0.93 -0.06 0.00 0.00 177.13 178.00 2jf9 h GLU 471 N 0.00 0.00 -0.00 5.31 3.07 -2.03 0.24 114.58 121.17 2jf9 h GLU 471 Ca 0.69 0.00 -0.18 0.00 -0.50 0.00 0.00 59.36 59.38 2jf9 h GLU 471 Cb 2.08 0.00 -0.02 0.00 -0.84 0.00 0.00 28.75 29.98 2jf9 h GLU 471 CO -0.46 0.00 -0.80 -0.22 -1.40 0.00 0.00 179.01 176.12 2jf9 h LYS 472 N 0.00 0.11 -0.25 2.33 3.11 -2.00 -2.97 116.57 116.90 2jf9 h LYS 472 Ca 0.11 -0.11 -0.09 0.00 -2.81 0.00 0.00 60.65 57.76 2jf9 h LYS 472 Cb 0.62 0.03 -0.01 0.00 -1.00 0.00 0.00 32.23 31.87 2jf9 h LYS 472 CO -0.00 0.85 -0.23 0.22 -2.81 0.00 0.00 179.45 177.48 2jf9 h ASP 473 N 0.06 0.46 -0.24 4.20 3.58 -1.03 -2.56 116.42 120.89 2jf9 h ASP 473 Ca -0.02 -0.15 -0.00 0.00 0.42 0.00 0.00 57.03 57.28 2jf9 h ASP 473 Cb 1.40 -0.12 -0.01 0.00 1.72 0.00 0.00 39.33 42.32 2jf9 h ASP 473 CO 0.11 0.69 0.13 -0.74 -2.88 0.00 0.00 179.24 176.56 2jf9 h HIS 474 N 0.41 0.32 -0.81 0.28 2.76 -1.14 -1.61 115.15 115.37 2jf9 h HIS 474 Ca 0.06 -0.01 0.02 0.00 -2.20 0.00 0.00 60.37 58.25 2jf9 h HIS 474 Cb 0.62 -0.10 -0.04 0.00 1.55 0.00 0.00 27.41 29.44 2jf9 h HIS 474 CO 0.02 0.28 0.53 0.82 -1.30 0.00 0.00 177.93 178.28 2jf9 h ILE 475 N 0.27 1.17 -0.17 6.26 2.04 -1.42 -0.78 117.51 124.87 2jf9 h ILE 475 Ca 0.08 -0.36 -0.13 0.00 1.00 0.00 0.00 64.86 65.46 2jf9 h ILE 475 Cb 0.06 0.03 -0.01 0.00 -0.74 0.00 0.00 36.82 36.16 2jf9 h ILE 475 CO -0.01 0.19 -0.43 0.45 0.00 0.00 0.00 178.15 178.35 2jf9 h HIS 476 N 1.04 0.49 -0.27 1.37 3.86 -1.17 0.16 115.15 120.64 2jf9 h HIS 476 Ca 0.31 -0.14 -0.16 0.00 -1.16 0.00 0.00 60.37 59.21 2jf9 h HIS 476 Cb -0.04 -0.10 -0.01 0.00 1.06 0.00 0.00 27.41 28.32 2jf9 h HIS 476 CO -0.00 0.78 -0.48 0.00 0.86 0.00 0.00 177.93 179.08 2jf9 h ARG 477 N 0.34 0.72 -0.48 2.45 3.08 -0.80 -0.85 114.38 118.84 2jf9 h ARG 477 Ca 0.03 -0.42 -0.00 0.00 0.07 0.00 0.00 59.98 59.66 2jf9 h ARG 477 Cb 0.90 0.03 -0.02 0.00 0.08 0.00 0.00 29.97 30.96 2jf9 h ARG 477 CO 0.08 1.04 0.28 0.28 -1.07 0.00 0.00 179.97 180.57 2jf9 h VAL 478 N 0.57 1.15 -0.85 2.04 2.07 -0.81 -1.36 116.25 119.05 2jf9 h VAL 478 Ca 0.03 -0.36 -0.01 0.00 0.82 0.00 0.00 66.70 67.18 2jf9 h VAL 478 Cb 1.04 0.53 -0.04 0.00 -1.52 0.00 0.00 31.29 31.30 2jf9 h VAL 478 CO 0.10 0.16 0.50 -0.07 0.02 0.00 0.00 177.57 178.28 2jf9 h LEU 479 N 0.63 1.03 -1.09 2.57 3.38 -0.56 -1.97 115.31 119.31 2jf9 h LEU 479 Ca 0.17 -0.07 -0.01 0.00 0.09 0.00 0.00 57.88 58.05 2jf9 h LEU 479 Cb 0.01 -0.26 -0.04 0.00 0.09 0.00 0.00 40.66 40.46 2jf9 h LEU 479 CO -0.03 0.80 0.42 0.44 0.09 0.00 0.00 178.44 180.16 2jf9 h ASP 480 N 1.17 0.94 -0.39 -0.43 3.32 -0.95 -2.02 116.42 118.06 2jf9 h ASP 480 Ca 0.30 -0.07 -0.07 0.00 0.02 0.00 0.00 57.03 57.21 2jf9 h ASP 480 Cb -0.03 -0.24 -0.02 0.00 0.22 0.00 0.00 39.33 39.26 2jf9 h ASP 480 CO -0.06 0.75 0.01 0.11 -1.72 0.00 0.00 179.24 178.33 2jf9 h LYS 481 N 1.06 0.77 -0.45 3.56 1.57 -0.73 -0.56 116.57 121.80 2jf9 h LYS 481 Ca 0.27 -0.20 -0.10 0.00 -1.87 0.00 0.00 60.65 58.75 2jf9 h LYS 481 Cb 0.02 -0.09 -0.02 0.00 0.08 0.00 0.00 32.23 32.22 2jf9 h LYS 481 CO -0.04 0.78 -0.12 0.82 -0.57 0.00 0.00 179.45 180.31 2jf9 h ILE 482 N 0.72 1.26 -0.09 1.86 2.04 -1.02 0.19 117.51 122.48 2jf9 h ILE 482 Ca 0.14 -1.21 0.01 0.00 1.00 0.00 0.00 64.86 64.80 2jf9 h ILE 482 Cb 0.43 1.05 -0.01 0.00 -0.74 0.00 0.00 36.82 37.56 2jf9 h ILE 482 CO 0.02 0.41 0.04 0.74 0.00 0.00 0.00 178.15 179.36 2jf9 h THR 483 N 0.74 1.00 -0.95 -0.27 2.02 -1.02 0.37 112.91 114.79 2jf9 h THR 483 Ca 0.12 -0.03 0.14 0.00 0.77 0.00 0.00 66.41 67.41 2jf9 h THR 483 Cb 0.62 0.90 -0.09 0.00 -1.74 0.00 0.00 68.15 67.84 2jf9 h THR 483 CO 0.04 0.02 0.57 0.44 0.37 0.00 0.00 175.52 176.96 2jf9 h ASP 484 N 0.09 0.78 -0.41 4.18 3.32 -0.83 -1.78 116.42 121.77 2jf9 h ASP 484 Ca 0.03 0.07 -0.03 0.00 0.02 0.00 0.00 57.03 57.12 2jf9 h ASP 484 Cb 0.01 -0.08 -0.02 0.00 0.22 0.00 0.00 39.33 39.46 2jf9 h ASP 484 CO -0.03 0.37 0.12 0.74 -1.72 0.00 0.00 179.24 178.72 2jf9 h THR 485 N 0.84 1.22 -0.42 0.35 2.02 -0.22 -0.93 112.91 115.76 2jf9 h THR 485 Ca 0.50 -0.74 0.01 0.00 0.77 0.00 0.00 66.41 66.95 2jf9 h THR 485 Cb 0.60 0.93 -0.02 0.00 -1.74 0.00 0.00 68.15 67.92 2jf9 h THR 485 CO -0.31 0.26 0.26 -0.07 0.37 0.00 0.00 175.52 176.03 2jf9 h LEU 486 N 0.51 0.44 -0.54 2.58 3.38 -0.31 -1.28 115.31 120.09 2jf9 h LEU 486 Ca 0.13 -0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.08 2jf9 h LEU 486 Cb 0.28 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 40.90 2jf9 h LEU 486 CO -0.00 0.32 0.26 0.40 0.09 0.00 0.00 178.44 179.50 2jf9 h ILE 487 N 0.53 1.20 -0.18 1.22 1.08 -1.26 -1.52 117.51 118.59 2jf9 h ILE 487 Ca 0.16 -0.57 0.05 0.00 -0.39 0.00 0.00 64.86 64.11 2jf9 h ILE 487 Cb -0.03 0.58 -0.05 0.00 -3.07 0.00 0.00 36.82 34.26 2jf9 h ILE 487 CO -0.06 0.23 -0.13 -0.74 -0.69 0.00 0.00 178.15 176.76 2jf9 h HIS 488 N 0.72 -0.33 -0.68 1.37 2.76 -0.93 0.26 115.15 118.32 2jf9 h HIS 488 Ca 0.18 0.02 0.07 0.00 -2.20 0.00 0.00 60.37 58.45 2jf9 h HIS 488 Cb 0.12 0.18 -0.06 0.00 1.55 0.00 0.00 27.41 29.20 2jf9 h HIS 488 CO -0.00 -0.20 0.36 -0.07 -1.30 0.00 0.00 177.93 176.72 2jf9 h LEU 489 N -0.14 0.51 -0.45 0.26 3.38 -1.06 0.06 115.31 117.87 2jf9 h LEU 489 Ca 0.11 0.04 -0.13 0.00 0.09 0.00 0.00 57.88 57.99 2jf9 h LEU 489 Cb 0.30 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 40.98 2jf9 h LEU 489 CO -0.26 0.32 -0.23 0.24 0.09 0.00 0.00 178.44 178.60 2jf9 h MET 490 N 0.65 0.95 -0.56 1.13 2.86 -0.60 -1.26 114.93 118.10 2jf9 h MET 490 Ca 0.31 -0.42 -0.03 0.00 -2.06 0.00 0.00 59.70 57.50 2jf9 h MET 490 Cb 0.25 -0.03 -0.02 0.00 0.06 0.00 0.00 31.60 31.86 2jf9 h MET 490 CO -0.21 1.08 0.23 0.00 1.06 0.00 0.00 176.91 179.07 2jf9 h ALA 491 N 0.84 0.73 -0.49 6.32 0.00 -0.29 -2.08 119.26 124.29 2jf9 h ALA 491 Ca 0.10 -0.16 -0.01 0.00 0.00 0.00 0.00 54.91 54.84 2jf9 h ALA 491 Cb 0.80 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.35 2jf9 h ALA 491 CO 0.07 0.33 0.24 0.87 0.00 0.00 0.00 179.25 180.76 2jf9 h LYS 492 N 0.76 0.68 0.00 0.00 1.57 -0.88 -1.27 116.57 117.44 2jf9 h LYS 492 Ca 0.19 -0.07 0.00 0.00 -1.87 0.00 0.00 60.65 58.89 2jf9 h LYS 492 Cb 0.19 -0.13 0.00 0.00 0.08 0.00 0.00 32.23 32.37 2jf9 h LYS 492 CO -0.02 0.52 0.00 0.00 -0.57 0.00 0.00 179.45 179.39 2jf9 n ALA 493 N -2.46 1.71 -0.18 3.86 0.00 -0.49 -4.90 120.51 118.04 2jf9 n ALA 493 Ca 0.04 -0.03 0.00 0.00 0.00 0.00 0.00 53.44 53.45 2jf9 n ALA 493 Cb 0.12 -1.28 0.00 0.00 0.00 0.00 0.00 19.45 18.29 2jf9 n ALA 493 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2jf9 n GLY 494 N 0.10 0.89 3.77 0.00 0.00 -0.48 -5.07 105.19 104.39 2jf9 n GLY 494 Ca 0.03 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.66 2jf9 n GLY 494 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2jf9 s LEU 495 N 0.00 4.24 0.95 0.99 1.43 -0.81 -5.01 118.68 120.47 2jf9 s LEU 495 Ca 0.00 2.54 -0.11 0.00 -1.03 0.00 0.00 54.13 55.52 2jf9 s LEU 495 Cb 0.00 -3.91 0.16 0.00 0.03 0.00 0.00 46.19 42.47 2jf9 s LEU 495 CO 0.00 -0.74 1.09 0.42 0.23 0.00 0.00 176.35 177.35 2jf9 s THR 496 N -1.30 2.41 0.22 5.49 -4.23 -1.26 -4.64 115.64 112.33 2jf9 s THR 496 Ca 0.56 0.13 -0.08 0.00 -1.18 0.00 0.00 61.69 61.12 2jf9 s THR 496 Cb -0.35 -2.39 0.16 0.00 1.34 0.00 0.00 72.50 71.26 2jf9 s THR 496 CO 0.45 -0.17 1.75 -0.07 -0.54 0.00 0.00 174.62 176.04 2jf9 h LEU 497 N -1.85 0.27 -0.55 4.79 3.38 -1.99 0.23 115.31 119.59 2jf9 h LEU 497 Ca -0.50 0.08 -0.01 0.00 0.09 0.00 0.00 57.88 57.54 2jf9 h LEU 497 Cb 1.29 0.05 -0.03 0.00 0.09 0.00 0.00 40.66 42.06 2jf9 h LEU 497 CO 0.50 0.15 0.31 -0.61 0.09 0.00 0.00 178.44 178.88 2jf9 h GLN 498 N 0.44 0.76 -0.31 1.13 4.15 -2.00 -2.41 115.11 116.87 2jf9 h GLN 498 Ca 0.33 -0.08 -0.06 0.00 0.77 0.00 0.00 58.65 59.61 2jf9 h GLN 498 Cb 0.41 -0.15 -0.02 0.00 0.21 0.00 0.00 27.48 27.93 2jf9 h GLN 498 CO -0.32 0.57 -0.07 1.96 -1.93 0.00 0.00 178.83 179.05 2jf9 h GLN 499 N 0.73 0.50 0.00 1.69 4.20 -1.77 -1.72 115.11 118.74 2jf9 h GLN 499 Ca 0.19 -0.12 -0.00 0.00 0.06 0.00 0.00 58.65 58.78 2jf9 h GLN 499 Cb 0.02 -0.06 0.00 0.00 0.30 0.00 0.00 27.48 27.74 2jf9 h GLN 499 CO -0.03 0.58 -0.00 1.96 -0.67 0.00 0.00 178.83 180.66 2jf9 h GLN 500 N 0.47 -0.00 -0.35 1.46 4.20 -0.60 -0.66 115.11 119.63 2jf9 h GLN 500 Ca 0.09 0.00 -0.12 0.00 0.06 0.00 0.00 58.65 58.69 2jf9 h GLN 500 Cb 0.41 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.18 2jf9 h GLN 500 CO 0.02 0.15 -0.25 1.12 -0.67 0.00 0.00 178.83 179.19 2jf9 h HIS 501 N -0.15 0.81 -0.49 2.96 2.07 -1.38 -1.27 115.15 117.70 2jf9 h HIS 501 Ca -0.00 -0.19 -0.02 0.00 -2.85 0.00 0.00 60.37 57.31 2jf9 h HIS 501 Cb 0.15 -0.19 -0.02 0.00 2.57 0.00 0.00 27.41 29.92 2jf9 h HIS 501 CO -0.03 0.89 0.22 1.96 -3.07 0.00 0.00 177.93 177.91 2jf9 h GLN 502 N 0.62 0.72 -0.18 5.12 4.20 -1.28 -1.85 115.11 122.46 2jf9 h GLN 502 Ca 0.08 -0.12 -0.17 0.00 0.06 0.00 0.00 58.65 58.50 2jf9 h GLN 502 Cb 0.75 -0.12 -0.00 0.00 0.30 0.00 0.00 27.48 28.40 2jf9 h GLN 502 CO 0.06 0.62 -0.59 -0.09 -0.67 0.00 0.00 178.83 178.16 2jf9 h ARG 503 N 0.65 0.58 -0.40 1.46 2.43 -1.05 -1.57 114.38 116.48 2jf9 h ARG 503 Ca 0.17 -0.39 0.05 0.00 -0.81 0.00 0.00 59.98 59.00 2jf9 h ARG 503 Cb 0.15 0.05 -0.04 0.00 -0.42 0.00 0.00 29.97 29.71 2jf9 h ARG 503 CO -0.02 1.00 0.14 1.25 -1.51 0.00 0.00 179.97 180.84 2jf9 h LEU 504 N 0.44 0.15 -0.20 3.80 5.85 -1.13 -0.76 115.31 123.45 2jf9 h LEU 504 Ca -0.00 0.04 -0.00 0.00 0.84 0.00 0.00 57.88 58.76 2jf9 h LEU 504 Cb 1.15 0.03 -0.01 0.00 0.37 0.00 0.00 40.66 42.20 2jf9 h LEU 504 CO 0.11 0.12 0.12 0.00 -0.34 0.00 0.00 178.44 178.45 2jf9 h ALA 505 N 1.26 0.26 -0.88 1.25 0.00 -1.22 -1.59 119.26 118.34 2jf9 h ALA 505 Ca 0.18 -0.04 0.07 0.00 0.00 0.00 0.00 54.91 55.12 2jf9 h ALA 505 Cb 0.17 -0.08 -0.06 0.00 0.00 0.00 0.00 17.79 17.81 2jf9 h ALA 505 CO -0.19 -0.23 0.55 1.96 0.00 0.00 0.00 179.25 181.34 2jf9 h GLN 506 N 0.24 0.96 -0.23 0.00 4.20 -0.95 -0.09 115.11 119.24 2jf9 h GLN 506 Ca 0.07 -0.06 -0.07 0.00 0.06 0.00 0.00 58.65 58.66 2jf9 h GLN 506 Cb 0.03 -0.22 -0.01 0.00 0.30 0.00 0.00 27.48 27.58 2jf9 h GLN 506 CO -0.01 0.64 -0.12 -0.07 -0.67 0.00 0.00 178.83 178.59 2jf9 h LEU 507 N 0.99 0.51 -0.96 1.46 3.38 -1.03 -2.93 115.31 116.73 2jf9 h LEU 507 Ca 0.39 -0.41 -0.11 0.00 0.09 0.00 0.00 57.88 57.84 2jf9 h LEU 507 Cb 0.19 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 40.79 2jf9 h LEU 507 CO -0.18 0.81 -0.43 -0.07 0.09 0.00 0.00 178.44 178.66 2jf9 h LEU 508 N 0.21 0.20 -1.46 1.67 3.38 -1.00 -2.72 115.31 115.58 2jf9 h LEU 508 Ca 0.05 -0.08 -0.05 0.00 0.09 0.00 0.00 57.88 57.89 2jf9 h LEU 508 Cb 0.62 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 41.31 2jf9 h LEU 508 CO 0.04 0.61 -0.17 -0.07 0.09 0.00 0.00 178.44 178.93 2jf9 h LEU 509 N 0.16 0.13 -1.10 1.67 3.38 -1.02 -1.98 115.31 116.55 2jf9 h LEU 509 Ca 0.01 -0.03 0.26 0.00 0.09 0.00 0.00 57.88 58.21 2jf9 h LEU 509 Cb 0.83 -0.03 -0.12 0.00 0.09 0.00 0.00 40.66 41.43 2jf9 h LEU 509 CO 0.06 0.32 0.62 0.40 0.09 0.00 0.00 178.44 179.93 2jf9 h ILE 510 N 0.13 0.52 0.00 1.22 2.04 -1.29 -1.70 117.51 118.43 2jf9 h ILE 510 Ca 0.03 -0.18 -0.04 0.00 1.00 0.00 0.00 64.86 65.67 2jf9 h ILE 510 Cb 0.38 -0.05 -0.01 0.00 -0.74 0.00 0.00 36.82 36.41 2jf9 h ILE 510 CO 0.03 0.09 -0.19 -0.07 0.00 0.00 0.00 178.15 178.01 2jf9 h LEU 511 N 0.52 0.00 -0.61 1.44 3.38 -1.43 -1.35 115.31 117.26 2jf9 h LEU 511 Ca 0.64 0.00 -0.14 0.00 0.09 0.00 0.00 57.88 58.47 2jf9 h LEU 511 Cb 1.33 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.07 2jf9 h LEU 511 CO -0.43 0.19 -0.38 -1.28 0.09 0.00 0.00 178.44 176.63 2jf9 h SER 512 N 0.00 0.72 -0.17 -0.43 0.87 -1.41 -1.85 113.55 111.28 2jf9 h SER 512 Ca -0.00 -0.31 -0.16 0.00 -1.23 0.00 0.00 61.79 60.08 2jf9 h SER 512 Cb 0.59 -0.20 -0.01 0.00 -0.44 0.00 0.00 62.40 62.35 2jf9 h SER 512 CO 0.02 1.02 -0.48 0.45 -0.53 0.00 0.00 176.83 177.32 2jf9 h HIS 513 N 0.56 0.90 -0.47 2.24 3.86 -1.36 -1.82 115.15 119.07 2jf9 h HIS 513 Ca 0.05 -0.30 -0.01 0.00 -1.16 0.00 0.00 60.37 58.96 2jf9 h HIS 513 Cb 0.90 -0.18 -0.02 0.00 1.06 0.00 0.00 27.41 29.17 2jf9 h HIS 513 CO 0.04 1.07 0.26 0.82 0.86 0.00 0.00 177.93 180.98 2jf9 h ILE 514 N 0.58 1.17 -0.49 2.45 1.08 -1.26 -1.41 117.51 119.63 2jf9 h ILE 514 Ca 0.03 -0.43 0.04 0.00 -0.39 0.00 0.00 64.86 64.12 2jf9 h ILE 514 Cb 1.04 0.60 -0.04 0.00 -3.07 0.00 0.00 36.82 35.35 2jf9 h ILE 514 CO 0.10 0.18 0.25 -0.09 -0.69 0.00 0.00 178.15 177.90 2jf9 h ARG 515 N 0.62 0.48 -0.39 2.37 9.65 -1.27 -1.19 114.38 124.64 2jf9 h ARG 515 Ca 0.16 -0.03 0.04 0.00 -1.10 0.00 0.00 59.98 59.05 2jf9 h ARG 515 Cb 0.05 -0.11 -0.04 0.00 -1.39 0.00 0.00 29.97 28.49 2jf9 h ARG 515 CO -0.03 0.32 0.17 1.25 2.80 0.00 0.00 179.97 184.48 2jf9 h HIS 516 N 0.49 0.31 -0.74 2.20 2.76 -1.04 -0.74 115.15 118.40 2jf9 h HIS 516 Ca 0.21 0.02 -0.06 0.00 -2.20 0.00 0.00 60.37 58.34 2jf9 h HIS 516 Cb 0.12 -0.08 -0.03 0.00 1.55 0.00 0.00 27.41 28.96 2jf9 h HIS 516 CO -0.10 0.15 0.21 0.52 -1.30 0.00 0.00 177.93 177.41 2jf9 h MET 517 N 0.35 1.16 -0.35 5.26 2.86 -1.02 -0.98 114.93 122.20 2jf9 h MET 517 Ca 0.17 -0.26 0.00 0.00 -2.06 0.00 0.00 59.70 57.55 2jf9 h MET 517 Cb 0.11 -0.16 -0.02 0.00 0.06 0.00 0.00 31.60 31.59 2jf9 h MET 517 CO -0.14 1.00 0.23 1.03 1.06 0.00 0.00 176.91 180.09 2jf9 h SER 518 N 1.11 0.40 -0.64 1.22 0.87 -0.89 0.18 113.55 115.80 2jf9 h SER 518 Ca 0.23 -0.01 -0.00 0.00 -1.23 0.00 0.00 61.79 60.78 2jf9 h SER 518 Cb 0.34 -0.10 -0.03 0.00 -0.44 0.00 0.00 62.40 62.17 2jf9 h SER 518 CO -0.00 0.29 0.38 0.78 -0.53 0.00 0.00 176.83 177.75 2jf9 h ASN 519 N 0.47 0.77 -0.60 6.23 2.35 -0.82 0.12 115.58 124.10 2jf9 h ASN 519 Ca 0.13 -0.06 -0.07 0.00 -0.55 0.00 0.00 56.30 55.75 2jf9 h ASN 519 Cb -0.05 -0.19 -0.02 0.00 0.05 0.00 0.00 38.32 38.10 2jf9 h ASN 519 CO -0.03 0.61 0.12 0.11 -1.65 0.00 0.00 177.43 176.58 2jf9 h LYS 520 N 0.86 0.97 -0.22 0.81 1.79 -0.96 -1.43 116.57 118.40 2jf9 h LYS 520 Ca 0.23 -0.25 0.02 0.00 -2.18 0.00 0.00 60.65 58.46 2jf9 h LYS 520 Cb -0.02 -0.12 -0.02 0.00 -1.58 0.00 0.00 32.23 30.50 2jf9 h LYS 520 CO -0.04 0.91 0.10 0.78 -1.08 0.00 0.00 179.45 180.12 2jf9 h GLY 521 N 0.88 0.28 1.01 3.86 0.00 -0.22 -1.69 103.07 107.19 2jf9 h GLY 521 Ca 0.18 -0.07 -0.01 0.00 0.00 0.00 0.00 47.33 47.44 2jf9 h GLY 521 CO 0.01 0.05 0.41 -0.33 0.00 0.00 0.00 176.54 176.68 2jf9 h MET 522 N 0.22 0.99 -0.52 4.80 2.86 -0.63 0.24 114.93 122.89 2jf9 h MET 522 Ca 0.09 -0.10 0.04 0.00 -2.06 0.00 0.00 59.70 57.67 2jf9 h MET 522 Cb 0.03 -0.20 -0.04 0.00 0.06 0.00 0.00 31.60 31.45 2jf9 h MET 522 CO -0.07 0.72 0.27 1.49 1.06 0.00 0.00 176.91 180.38 2jf9 h GLU 523 N 0.98 0.51 -0.24 1.72 4.81 -1.13 -0.15 114.58 121.08 2jf9 h GLU 523 Ca 0.25 -0.03 -0.02 0.00 -0.13 0.00 0.00 59.36 59.43 2jf9 h GLU 523 Cb 0.01 -0.11 -0.01 0.00 0.63 0.00 0.00 28.75 29.26 2jf9 h GLU 523 CO -0.04 0.34 0.07 1.25 -0.73 0.00 0.00 179.01 179.89 2jf9 h HIS 524 N 0.52 0.39 -0.70 0.92 2.76 -0.82 -1.53 115.15 116.70 2jf9 h HIS 524 Ca 0.22 -0.04 0.08 0.00 -2.20 0.00 0.00 60.37 58.43 2jf9 h HIS 524 Cb 0.12 -0.11 -0.06 0.00 1.55 0.00 0.00 27.41 28.90 2jf9 h HIS 524 CO -0.10 0.45 0.37 -0.07 -1.30 0.00 0.00 177.93 177.29 2jf9 h LEU 525 N 0.22 0.52 -0.55 0.26 3.38 -0.76 -2.44 115.31 115.93 2jf9 h LEU 525 Ca 0.08 0.05 -0.05 0.00 0.09 0.00 0.00 57.88 58.04 2jf9 h LEU 525 Cb 0.25 -0.05 -0.02 0.00 0.09 0.00 0.00 40.66 40.93 2jf9 h LEU 525 CO -0.00 0.32 0.15 1.88 0.09 0.00 0.00 178.44 180.88 2jf9 h TYR 526 N 0.65 0.91 0.00 1.13 0.99 -0.87 -3.10 116.97 116.69 2jf9 h TYR 526 Ca 0.33 -0.10 -0.03 0.00 2.00 0.00 0.00 58.73 60.93 2jf9 h TYR 526 Cb 0.28 -0.26 -0.00 0.00 1.00 0.00 0.00 36.73 37.75 2jf9 h TYR 526 CO -0.09 0.78 -0.16 0.66 -0.00 0.00 0.00 178.16 179.34 2jf9 h SER 527 N 0.77 0.00 -0.02 3.88 4.64 -1.00 -3.51 113.55 118.31 2jf9 h SER 527 Ca 0.18 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.50 2jf9 h SER 527 Cb 0.31 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.40 2jf9 h SER 527 CO -0.00 0.16 0.00 1.15 -0.87 0.00 0.00 176.83 177.27