#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1sj0 n LEU 308 N 0.00 4.33 0.00 0.00 4.32 -1.26 -4.26 117.00 120.12 1sj0 n LEU 308 Ca 0.00 -4.26 0.00 0.00 -0.02 0.00 0.00 56.01 51.73 1sj0 n LEU 308 Cb 0.00 -0.51 0.00 0.00 -1.62 0.00 0.00 43.42 41.29 1sj0 n LEU 308 CO 0.00 1.67 0.00 -0.24 -1.22 0.00 0.00 177.39 177.60 1sj0 n SER 309 N -0.94 0.00 -4.72 -1.43 2.88 -1.26 -5.08 113.62 103.08 1sj0 n SER 309 Ca 0.36 0.00 -0.42 0.00 -1.33 0.00 0.00 58.87 57.48 1sj0 n SER 309 Cb 0.88 0.00 -0.03 0.00 -0.75 0.00 0.00 64.21 64.31 1sj0 n SER 309 CO 0.00 0.00 0.00 -0.76 -1.23 0.00 0.00 175.04 173.05 1sj0 s LEU 310 N 0.00 4.38 1.12 2.46 1.02 -1.26 -5.04 118.68 121.36 1sj0 s LEU 310 Ca 0.00 2.07 -0.14 0.00 0.02 0.00 0.00 54.13 56.08 1sj0 s LEU 310 Cb 0.00 -3.58 0.25 0.00 0.02 0.00 0.00 46.19 42.88 1sj0 s LEU 310 CO 0.00 -0.48 1.06 0.42 0.02 0.00 0.00 176.35 177.37 1sj0 s THR 311 N 0.97 1.90 0.38 5.49 -4.23 -1.26 -4.75 115.64 114.13 1sj0 s THR 311 Ca 0.59 0.00 0.09 0.00 -1.18 0.00 0.00 61.69 61.19 1sj0 s THR 311 Cb -0.31 -2.32 0.31 0.00 1.34 0.00 0.00 72.50 71.53 1sj0 s THR 311 CO 0.30 0.00 1.93 0.00 -0.54 0.00 0.00 174.62 176.31 1sj0 h ALA 312 N -2.38 1.84 -0.10 3.99 0.00 -1.93 -1.55 119.26 119.13 1sj0 h ALA 312 Ca -0.56 -0.01 -0.17 0.00 0.00 0.00 0.00 54.91 54.18 1sj0 h ALA 312 Cb 1.33 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.97 1sj0 h ALA 312 CO 0.51 -0.00 -0.65 -0.44 0.00 0.00 0.00 179.25 178.67 1sj0 h ASP 313 N 0.65 0.44 0.64 0.00 3.45 -1.96 -2.68 116.42 116.95 1sj0 h ASP 313 Ca 0.35 -0.26 -0.15 0.00 0.43 0.00 0.00 57.03 57.39 1sj0 h ASP 313 Cb 0.51 -0.13 -0.02 0.00 -0.56 0.00 0.00 39.33 39.13 1sj0 h ASP 313 CO -0.13 0.97 -0.71 1.56 -1.57 0.00 0.00 179.24 179.36 1sj0 h GLN 314 N 0.27 0.06 -0.16 3.56 4.20 -1.65 -2.50 115.11 118.89 1sj0 h GLN 314 Ca -0.01 -0.05 -0.03 0.00 0.06 0.00 0.00 58.65 58.62 1sj0 h GLN 314 Cb 1.20 0.01 -0.01 0.00 0.30 0.00 0.00 27.48 28.98 1sj0 h GLN 314 CO 0.11 0.74 -0.01 1.98 -0.67 0.00 0.00 178.83 180.99 1sj0 h MET 315 N 0.04 0.29 -0.47 1.46 4.05 -1.20 0.25 114.93 119.34 1sj0 h MET 315 Ca -0.01 -0.10 0.00 0.00 -0.28 0.00 0.00 59.70 59.31 1sj0 h MET 315 Cb 1.26 -0.02 -0.02 0.00 -0.80 0.00 0.00 31.60 32.01 1sj0 h MET 315 CO 0.10 0.53 0.30 0.28 0.23 0.00 0.00 176.91 178.34 1sj0 h VAL 316 N 0.03 1.13 -0.46 -5.77 2.07 -1.51 0.36 116.25 112.11 1sj0 h VAL 316 Ca 0.05 -0.27 -0.11 0.00 0.82 0.00 0.00 66.70 67.19 1sj0 h VAL 316 Cb 0.40 0.46 -0.01 0.00 -1.52 0.00 0.00 31.29 30.62 1sj0 h VAL 316 CO 0.01 0.13 -0.13 -1.28 0.02 0.00 0.00 177.57 176.32 1sj0 h SER 317 N 0.64 0.91 -0.94 0.57 0.87 -1.43 0.19 113.55 114.34 1sj0 h SER 317 Ca 0.17 -0.37 0.00 0.00 -1.23 0.00 0.00 61.79 60.36 1sj0 h SER 317 Cb -0.05 -0.25 -0.05 0.00 -0.44 0.00 0.00 62.40 61.62 1sj0 h SER 317 CO -0.04 1.07 0.60 0.00 -0.53 0.00 0.00 176.83 177.94 1sj0 h ALA 318 N 0.87 1.20 -0.13 6.23 0.00 0.06 -1.19 119.26 126.29 1sj0 h ALA 318 Ca 0.11 -0.08 -0.08 0.00 0.00 0.00 0.00 54.91 54.87 1sj0 h ALA 318 Cb 0.69 -0.38 -0.00 0.00 0.00 0.00 0.00 17.79 18.09 1sj0 h ALA 318 CO 0.05 0.62 -0.21 -0.07 0.00 0.00 0.00 179.25 179.63 1sj0 h LEU 319 N 1.29 0.42 -1.23 0.00 3.38 -0.05 -2.62 115.31 116.50 1sj0 h LEU 319 Ca 0.34 -0.53 -0.03 0.00 0.09 0.00 0.00 57.88 57.74 1sj0 h LEU 319 Cb -0.12 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 40.49 1sj0 h LEU 319 CO -0.07 0.87 0.14 -0.07 0.09 0.00 0.00 178.44 179.40 1sj0 h LEU 320 N -0.02 0.62 -1.03 1.67 3.38 -0.53 -2.53 115.31 116.87 1sj0 h LEU 320 Ca 0.01 -0.09 -0.00 0.00 0.09 0.00 0.00 57.88 57.89 1sj0 h LEU 320 Cb 0.79 -0.16 -0.04 0.00 0.09 0.00 0.00 40.66 41.33 1sj0 h LEU 320 CO 0.05 0.60 0.54 0.44 0.09 0.00 0.00 178.44 180.15 1sj0 h ASP 321 N 0.67 1.06 0.93 -0.43 3.32 -1.04 -2.99 116.42 117.94 1sj0 h ASP 321 Ca 0.16 -0.06 0.00 0.00 0.02 0.00 0.00 57.03 57.15 1sj0 h ASP 321 Cb 0.20 -0.27 0.00 0.00 0.22 0.00 0.00 39.33 39.49 1sj0 h ASP 321 CO -0.01 0.81 0.00 0.00 -1.72 0.00 0.00 179.24 178.32 1sj0 n ALA 322 N -2.40 2.09 -1.54 3.45 0.00 -0.96 -4.93 120.51 116.23 1sj0 n ALA 322 Ca 0.10 -0.06 -0.54 0.00 0.00 0.00 0.00 53.44 52.94 1sj0 n ALA 322 Cb 0.06 -1.40 -0.06 0.00 0.00 0.00 0.00 19.45 18.04 1sj0 n ALA 322 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1sj0 n GLU 323 N -1.70 0.61 -1.64 0.00 -0.58 -1.13 -4.60 120.64 111.60 1sj0 n GLU 323 Ca 0.05 0.22 -0.29 0.00 -0.42 0.00 0.00 57.16 56.72 1sj0 n GLU 323 Cb 0.30 -1.73 0.10 0.00 -0.57 0.00 0.00 31.44 29.54 1sj0 n GLU 323 CO 0.00 0.00 0.00 -1.25 -0.48 0.00 0.00 177.13 175.40 1sj0 s PRO 324 N 0.02 1.81 0.67 3.49 0.04 -1.26 -5.04 135.00 134.73 1sj0 s PRO 324 Ca 0.83 0.40 -0.11 0.00 0.04 0.00 0.00 61.00 62.16 1sj0 s PRO 324 Cb -1.06 -1.91 -0.00 0.00 0.04 0.00 0.00 34.50 31.57 1sj0 s PRO 324 CO 0.53 -1.76 1.05 -1.25 0.04 0.00 0.00 177.00 175.61 1sj0 s PRO 325 N -5.29 3.08 -0.21 0.56 0.04 -1.26 -5.04 135.00 126.88 1sj0 s PRO 325 Ca 0.62 0.95 -0.27 0.00 0.04 0.00 0.00 61.00 62.34 1sj0 s PRO 325 Cb -0.14 -2.01 -0.00 0.00 0.04 0.00 0.00 34.50 32.40 1sj0 s PRO 325 CO 0.53 -0.99 0.95 0.42 0.04 0.00 0.00 177.00 177.94 1sj0 s ILE 326 N -3.00 4.77 0.28 0.56 -1.09 -1.26 -5.06 121.20 116.40 1sj0 s ILE 326 Ca 0.58 1.84 0.06 0.00 -2.23 0.00 0.00 60.65 60.91 1sj0 s ILE 326 Cb -0.14 -4.23 -0.03 0.00 -1.58 0.00 0.00 42.46 36.49 1sj0 s ILE 326 CO 0.53 -0.10 0.33 -0.76 -1.23 0.00 0.00 174.94 173.71 1sj0 s LEU 327 N 2.79 3.97 0.08 2.97 1.43 -1.26 -5.04 118.68 123.62 1sj0 s LEU 327 Ca 0.41 -0.18 0.02 0.00 -1.03 0.00 0.00 54.13 53.35 1sj0 s LEU 327 Cb -0.16 -2.58 -0.04 0.00 0.03 0.00 0.00 46.19 43.44 1sj0 s LEU 327 CO 0.09 -0.19 0.13 -0.31 0.23 0.00 0.00 176.35 176.30 1sj0 s TYR 328 N -2.12 3.31 0.53 0.29 1.51 -1.26 -4.34 117.35 115.27 1sj0 s TYR 328 Ca 0.37 0.14 -0.19 0.00 -1.01 0.00 0.00 57.07 56.38 1sj0 s TYR 328 Cb -0.08 -1.67 -0.06 0.00 -0.11 0.00 0.00 41.96 40.04 1sj0 s TYR 328 CO 0.28 0.55 1.10 0.45 -1.11 0.00 0.00 175.55 176.82 1sj0 s SER 329 N -2.47 5.88 -0.43 2.29 0.15 -1.26 -4.97 113.70 112.89 1sj0 s SER 329 Ca 0.31 2.09 0.03 0.00 0.70 0.00 0.00 55.95 59.08 1sj0 s SER 329 Cb -0.12 -2.57 0.12 0.00 -1.71 0.00 0.00 66.02 61.73 1sj0 s SER 329 CO 0.24 -1.11 0.17 -1.61 1.20 0.00 0.00 173.24 172.14 1sj0 s GLU 330 N -3.32 1.80 -0.19 5.44 2.02 -1.26 -5.00 118.70 118.19 1sj0 s GLU 330 Ca 0.71 -2.19 -0.21 0.00 0.02 0.00 0.00 54.97 53.30 1sj0 s GLU 330 Cb -0.21 -3.33 0.06 0.00 0.10 0.00 0.00 34.13 30.74 1sj0 s GLU 330 CO 0.26 -1.03 0.58 1.52 0.02 0.00 0.00 175.26 176.60 1sj0 s TYR 331 N 0.43 -0.61 -0.08 1.61 -0.85 -1.26 -4.98 117.35 111.60 1sj0 s TYR 331 Ca 0.13 1.45 -0.29 0.00 -0.52 0.00 0.00 57.07 57.84 1sj0 s TYR 331 Cb -0.22 0.23 -0.06 0.00 0.38 0.00 0.00 41.96 42.29 1sj0 s TYR 331 CO -0.04 -0.34 1.75 0.34 -1.52 0.00 0.00 175.55 175.74 1sj0 s ASP 332 N 0.08 6.48 0.00 -0.18 -1.08 -1.26 -4.83 116.67 115.88 1sj0 s ASP 332 Ca -0.02 2.18 0.18 0.00 -0.52 0.00 0.00 52.55 54.38 1sj0 s ASP 332 Cb -0.04 -2.53 1.03 0.00 -1.46 0.00 0.00 42.92 39.93 1sj0 s ASP 332 CO 0.02 -1.09 1.67 -0.81 0.52 0.00 0.00 175.17 175.48 1sj0 n PRO 333 N 7.43 1.10 0.04 4.34 -0.04 -1.26 -1.89 135.00 144.71 1sj0 n PRO 333 Ca 0.19 -0.15 0.11 0.00 -0.04 0.00 0.00 63.50 63.61 1sj0 n PRO 333 Cb 0.43 -1.30 -0.04 0.00 -0.04 0.00 0.00 33.50 32.55 1sj0 n PRO 333 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 1sj0 n THR 334 N -0.63 0.23 -3.98 0.52 -2.24 -1.26 -4.94 114.28 101.98 1sj0 n THR 334 Ca 0.14 -0.38 -0.22 0.00 -2.27 0.00 0.00 64.05 61.32 1sj0 n THR 334 Cb 0.10 0.05 -0.02 0.00 -2.10 0.00 0.00 70.33 68.35 1sj0 n THR 334 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 1sj0 s ARG 335 N -3.32 3.39 0.67 -0.78 3.00 -0.79 -5.09 118.95 116.03 1sj0 s ARG 335 Ca -0.00 -0.76 -0.12 0.00 0.00 0.00 0.00 55.73 54.85 1sj0 s ARG 335 Cb 0.13 -2.87 -0.00 0.00 0.00 0.00 0.00 34.95 32.21 1sj0 s ARG 335 CO 0.83 0.44 1.06 -1.25 0.00 0.00 0.00 175.30 176.39 1sj0 s PRO 336 N -3.82 3.00 0.04 3.54 0.04 -1.26 -4.93 135.00 131.62 1sj0 s PRO 336 Ca 0.34 1.03 0.27 0.00 0.04 0.00 0.00 61.00 62.68 1sj0 s PRO 336 Cb -0.09 -2.00 0.83 0.00 0.04 0.00 0.00 34.50 33.28 1sj0 s PRO 336 CO 0.28 -1.05 1.67 0.34 0.04 0.00 0.00 177.00 178.28 1sj0 n PHE 337 N -2.86 0.20 0.64 0.56 7.35 -1.26 -3.55 117.46 118.54 1sj0 n PHE 337 Ca 0.08 0.06 0.12 0.00 -0.76 0.00 0.00 57.45 56.95 1sj0 n PHE 337 Cb 0.53 -0.50 0.46 0.00 0.35 0.00 0.00 39.48 40.32 1sj0 n PHE 337 CO 0.00 0.00 0.00 0.43 -0.76 0.00 0.00 176.76 176.43 1sj0 n SER 338 N -1.69 0.45 0.02 -2.13 7.64 -1.26 -3.38 113.62 113.27 1sj0 n SER 338 Ca 0.06 0.57 0.11 0.00 1.01 0.00 0.00 58.87 60.62 1sj0 n SER 338 Cb 0.36 -0.68 0.07 0.00 -1.01 0.00 0.00 64.21 62.95 1sj0 n SER 338 CO 0.00 0.00 0.00 1.21 -3.01 0.00 0.00 175.04 173.24 1sj0 n GLU 339 N -1.95 0.21 -3.72 1.43 2.13 -1.23 -4.93 120.64 112.58 1sj0 n GLU 339 Ca 0.05 0.01 -0.37 0.00 0.66 0.00 0.00 57.16 57.50 1sj0 n GLU 339 Cb 0.32 -1.58 -0.06 0.00 0.27 0.00 0.00 31.44 30.39 1sj0 n GLU 339 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1sj0 s ALA 340 N -3.14 3.78 -0.36 4.31 0.00 -1.22 -5.05 121.76 120.09 1sj0 s ALA 340 Ca 0.06 -0.49 -0.29 0.00 0.00 0.00 0.00 51.96 51.23 1sj0 s ALA 340 Cb 0.15 -2.15 0.00 0.00 0.00 0.00 0.00 23.12 21.12 1sj0 s ALA 340 CO 0.78 0.50 1.39 0.45 0.00 0.00 0.00 175.76 178.88 1sj0 s SER 341 N -0.82 6.45 0.25 0.00 0.15 -1.26 -4.91 113.70 113.57 1sj0 s SER 341 Ca 0.17 1.03 -0.04 0.00 0.70 0.00 0.00 55.95 57.82 1sj0 s SER 341 Cb -0.13 -2.54 0.35 0.00 -1.71 0.00 0.00 66.02 61.99 1sj0 s SER 341 CO 0.07 -1.30 1.87 -0.03 1.20 0.00 0.00 173.24 175.05 1sj0 h MET 342 N 10.22 1.07 -0.40 5.44 4.05 -1.96 0.17 114.93 133.52 1sj0 h MET 342 Ca -0.28 -0.06 -0.12 0.00 -0.28 0.00 0.00 59.70 58.96 1sj0 h MET 342 Cb 1.11 -0.24 -0.01 0.00 -0.80 0.00 0.00 31.60 31.65 1sj0 h MET 342 CO 1.06 0.70 -0.24 1.98 0.23 0.00 0.00 176.91 180.64 1sj0 h MET 343 N 1.10 0.81 -0.46 0.39 1.85 -1.98 0.21 114.93 116.84 1sj0 h MET 343 Ca 0.40 -0.34 -0.01 0.00 -0.61 0.00 0.00 59.70 59.14 1sj0 h MET 343 Cb 0.13 -0.03 -0.02 0.00 0.43 0.00 0.00 31.60 32.11 1sj0 h MET 343 CO -0.16 0.96 0.24 0.78 -0.40 0.00 0.00 176.91 178.34 1sj0 h GLY 344 N 0.95 0.69 1.00 1.39 0.00 -1.85 1.15 103.07 106.40 1sj0 h GLY 344 Ca 0.09 -0.32 0.00 0.00 0.00 0.00 0.00 47.33 47.10 1sj0 h GLY 344 CO 0.06 0.31 0.25 1.41 0.00 0.00 0.00 176.54 178.57 1sj0 h LEU 345 N 0.60 0.45 -0.30 3.11 3.38 -0.17 -0.34 115.31 122.04 1sj0 h LEU 345 Ca 0.16 -0.02 -0.12 0.00 0.09 0.00 0.00 57.88 58.00 1sj0 h LEU 345 Cb 0.07 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 40.70 1sj0 h LEU 345 CO -0.02 0.33 -0.26 -0.07 0.09 0.00 0.00 178.44 178.50 1sj0 h LEU 346 N 0.52 0.76 -0.38 1.67 3.38 -0.40 -2.48 115.31 118.38 1sj0 h LEU 346 Ca 0.14 -0.46 -0.00 0.00 0.09 0.00 0.00 57.88 57.65 1sj0 h LEU 346 Cb -0.05 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.47 1sj0 h LEU 346 CO -0.03 1.06 0.22 0.74 0.09 0.00 0.00 178.44 180.52 1sj0 h THR 347 N 0.47 1.14 -0.38 0.22 2.02 0.14 -0.28 112.91 116.24 1sj0 h THR 347 Ca 0.05 -0.33 -0.07 0.00 0.77 0.00 0.00 66.41 66.84 1sj0 h THR 347 Cb 0.83 0.66 -0.02 0.00 -1.74 0.00 0.00 68.15 67.88 1sj0 h THR 347 CO 0.07 0.14 -0.04 0.78 0.37 0.00 0.00 175.52 176.83 1sj0 h ASN 348 N 0.50 0.60 -0.04 4.18 2.35 -1.08 -1.00 115.58 121.09 1sj0 h ASN 348 Ca 0.14 -0.14 -0.00 0.00 -0.55 0.00 0.00 56.30 55.74 1sj0 h ASN 348 Cb 0.03 -0.16 -0.00 0.00 0.05 0.00 0.00 38.32 38.24 1sj0 h ASN 348 CO -0.02 0.70 0.01 0.25 -1.65 0.00 0.00 177.43 176.72 1sj0 h LEU 349 N 0.59 0.06 -0.49 1.61 5.85 -1.19 -2.92 115.31 118.81 1sj0 h LEU 349 Ca 0.12 -0.21 0.01 0.00 0.84 0.00 0.00 57.88 58.64 1sj0 h LEU 349 Cb 0.43 -0.02 -0.03 0.00 0.37 0.00 0.00 40.66 41.42 1sj0 h LEU 349 CO 0.02 0.25 0.31 0.00 -0.34 0.00 0.00 178.44 178.69 1sj0 h ALA 350 N 0.81 0.63 -0.76 1.25 0.00 -0.58 -2.35 119.26 118.25 1sj0 h ALA 350 Ca 0.01 -0.03 0.10 0.00 0.00 0.00 0.00 54.91 54.99 1sj0 h ALA 350 Cb 0.22 -0.18 -0.07 0.00 0.00 0.00 0.00 17.79 17.76 1sj0 h ALA 350 CO -0.00 0.04 0.40 -0.44 0.00 0.00 0.00 179.25 179.25 1sj0 h ASP 351 N 0.64 0.54 0.90 0.00 3.32 -1.23 -2.18 116.42 118.40 1sj0 h ASP 351 Ca 0.19 0.06 -0.08 0.00 0.02 0.00 0.00 57.03 57.22 1sj0 h ASP 351 Cb -0.04 -0.04 -0.01 0.00 0.22 0.00 0.00 39.33 39.46 1sj0 h ASP 351 CO -0.06 0.30 -0.36 0.03 -1.72 0.00 0.00 179.24 177.43 1sj0 h ARG 352 N 0.67 0.00 0.00 3.56 3.08 -1.24 -2.60 114.38 117.85 1sj0 h ARG 352 Ca 0.37 0.00 -0.11 0.00 0.07 0.00 0.00 59.98 60.32 1sj0 h ARG 352 Cb 0.38 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.42 1sj0 h ARG 352 CO -0.27 0.36 -0.50 0.93 -1.07 0.00 0.00 179.97 179.42 1sj0 h GLU 353 N 0.00 0.00 -0.79 0.04 5.08 -0.91 -3.24 114.58 114.76 1sj0 h GLU 353 Ca -0.00 0.00 0.01 0.00 -1.00 0.00 0.00 59.36 58.37 1sj0 h GLU 353 Cb 0.91 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 30.12 1sj0 h GLU 353 CO 0.05 0.50 0.52 1.25 -1.00 0.00 0.00 179.01 180.33 1sj0 h LEU 354 N 0.00 0.89 -0.22 1.33 5.85 -1.01 0.19 115.31 122.34 1sj0 h LEU 354 Ca -0.01 -0.02 0.03 0.00 0.84 0.00 0.00 57.88 58.73 1sj0 h LEU 354 Cb 1.02 -0.22 -0.03 0.00 0.37 0.00 0.00 40.66 41.80 1sj0 h LEU 354 CO 0.07 0.64 0.03 0.58 -0.34 0.00 0.00 178.44 179.41 1sj0 h VAL 355 N 1.05 0.88 0.00 1.05 2.07 -1.65 -1.13 116.25 118.52 1sj0 h VAL 355 Ca 0.30 -0.04 -0.03 0.00 0.82 0.00 0.00 66.70 67.74 1sj0 h VAL 355 Cb -0.10 0.76 -0.00 0.00 -1.52 0.00 0.00 31.29 30.43 1sj0 h VAL 355 CO -0.07 0.02 -0.17 0.45 0.02 0.00 0.00 177.57 177.82 1sj0 h HIS 356 N 0.11 0.00 -0.31 1.57 3.86 -1.43 -2.87 115.15 116.08 1sj0 h HIS 356 Ca 0.10 0.00 -0.12 0.00 -1.16 0.00 0.00 60.37 59.19 1sj0 h HIS 356 Cb 0.11 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 28.58 1sj0 h HIS 356 CO -0.16 0.17 -0.29 1.98 0.86 0.00 0.00 177.93 180.49 1sj0 h MET 357 N 0.00 0.75 -0.91 2.45 -1.53 0.58 -1.89 114.93 114.38 1sj0 h MET 357 Ca -0.00 -0.38 0.09 0.00 -3.44 0.00 0.00 59.70 55.96 1sj0 h MET 357 Cb 0.41 0.01 -0.06 0.00 -0.55 0.00 0.00 31.60 31.40 1sj0 h MET 357 CO 0.02 1.01 0.59 0.82 0.14 0.00 0.00 176.91 179.49 1sj0 h ILE 358 N 0.51 1.00 -0.16 1.77 1.08 -1.19 0.01 117.51 120.54 1sj0 h ILE 358 Ca 0.05 -0.33 -0.21 0.00 -0.39 0.00 0.00 64.86 63.98 1sj0 h ILE 358 Cb 0.86 -0.04 0.01 0.00 -3.07 0.00 0.00 36.82 34.57 1sj0 h ILE 358 CO 0.07 0.17 -0.74 0.78 -0.69 0.00 0.00 178.15 177.75 1sj0 h ASN 359 N 0.96 0.89 -0.37 1.72 2.35 -1.36 -2.91 115.58 116.86 1sj0 h ASN 359 Ca 0.41 -0.56 0.02 0.00 -0.55 0.00 0.00 56.30 55.62 1sj0 h ASN 359 Cb 0.33 -0.26 -0.03 0.00 0.05 0.00 0.00 38.32 38.42 1sj0 h ASN 359 CO -0.17 1.36 0.20 -0.25 -1.65 0.00 0.00 177.43 176.91 1sj0 h TRP 360 N 0.52 0.37 -0.09 1.19 7.01 -0.67 -2.68 115.95 121.60 1sj0 h TRP 360 Ca -0.04 0.01 -0.05 0.00 2.11 0.00 0.00 58.89 60.93 1sj0 h TRP 360 Cb 1.36 -0.11 -0.01 0.00 -2.10 0.00 0.00 29.16 28.29 1sj0 h TRP 360 CO 0.08 0.21 -0.15 0.00 -2.79 0.00 0.00 178.44 175.79 1sj0 h ALA 361 N 1.18 1.58 0.00 2.65 0.00 -0.99 0.24 119.26 123.91 1sj0 h ALA 361 Ca 0.15 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.87 1sj0 h ALA 361 Cb 0.03 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.76 1sj0 h ALA 361 CO -0.09 0.31 0.00 0.87 0.00 0.00 0.00 179.25 180.34 1sj0 h LYS 362 N 0.14 0.00 -0.15 0.00 1.57 -1.27 -2.43 116.57 114.43 1sj0 h LYS 362 Ca 0.03 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.81 1sj0 h LYS 362 Cb 0.36 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.67 1sj0 h LYS 362 CO 0.02 0.00 0.00 0.54 -0.57 0.00 0.00 179.45 179.44 1sj0 n ARG 363 N -2.73 2.22 -2.60 3.15 1.74 0.80 -4.58 116.66 114.67 1sj0 n ARG 363 Ca 0.01 -1.81 -0.42 0.00 -0.77 0.00 0.00 57.85 54.86 1sj0 n ARG 363 Cb 0.29 -1.47 -0.03 0.00 -1.02 0.00 0.00 32.46 30.23 1sj0 n ARG 363 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 1sj0 s VAL 364 N -1.83 4.57 -0.30 1.55 1.01 -0.92 -4.82 120.40 119.66 1sj0 s VAL 364 Ca 0.33 1.86 -0.40 0.00 0.00 0.00 0.00 61.98 63.77 1sj0 s VAL 364 Cb 0.21 -4.20 -0.16 0.00 0.00 0.00 0.00 36.38 32.23 1sj0 s VAL 364 CO 0.31 -0.01 1.79 -2.65 0.00 0.00 0.00 175.10 174.54 1sj0 n PRO 365 N 5.15 1.07 0.00 2.72 -0.02 -1.26 -1.14 135.00 141.52 1sj0 n PRO 365 Ca 0.10 0.39 0.00 0.00 -2.02 0.00 0.00 63.50 61.96 1sj0 n PRO 365 Cb 0.48 -2.09 0.00 0.00 -0.02 0.00 0.00 33.50 31.86 1sj0 n PRO 365 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1sj0 n GLY 366 N 4.50 2.47 0.24 -1.23 0.00 -1.26 -4.73 105.19 105.19 1sj0 n GLY 366 Ca 0.29 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 46.24 1sj0 n GLY 366 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 1sj0 h PHE 367 N 0.00 0.72 0.00 1.61 3.57 -1.40 -3.01 116.94 118.43 1sj0 h PHE 367 Ca 0.00 -0.18 0.00 0.00 3.53 0.00 0.00 57.97 61.32 1sj0 h PHE 367 Cb 0.00 -0.17 0.00 0.00 2.79 0.00 0.00 35.95 38.57 1sj0 h PHE 367 CO 0.00 0.85 -0.15 1.33 -2.23 0.00 0.00 178.31 178.12 1sj0 n VAL 368 N -4.09 0.14 0.51 1.41 0.24 -1.26 -2.91 118.33 112.37 1sj0 n VAL 368 Ca -0.01 -0.08 0.10 0.00 -2.04 0.00 0.00 64.34 62.32 1sj0 n VAL 368 Cb 0.45 -0.34 0.41 0.00 -1.47 0.00 0.00 33.84 32.89 1sj0 n VAL 368 CO 0.00 0.00 0.00 0.47 -2.14 0.00 0.00 176.83 175.16 1sj0 n ASP 369 N -1.70 0.32 -4.85 -1.34 8.00 -1.14 -4.76 116.55 111.09 1sj0 n ASP 369 Ca 0.06 0.57 -0.31 0.00 0.71 0.00 0.00 54.79 55.83 1sj0 n ASP 369 Cb 0.36 -0.64 0.05 0.00 -0.02 0.00 0.00 41.12 40.87 1sj0 n ASP 369 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1sj0 s LEU 370 N -3.69 2.98 0.58 0.64 1.43 -1.15 -5.06 118.68 114.42 1sj0 s LEU 370 Ca 0.07 1.37 -0.17 0.00 -1.03 0.00 0.00 54.13 54.37 1sj0 s LEU 370 Cb 0.10 -4.22 -0.04 0.00 0.03 0.00 0.00 46.19 42.07 1sj0 s LEU 370 CO 0.36 -1.37 1.08 0.42 0.23 0.00 0.00 176.35 177.07 1sj0 s THR 371 N -3.19 3.54 0.17 5.49 -4.23 -1.26 -4.87 115.64 111.29 1sj0 s THR 371 Ca 0.58 0.81 -0.15 0.00 -1.18 0.00 0.00 61.69 61.75 1sj0 s THR 371 Cb -0.12 -3.31 0.05 0.00 1.34 0.00 0.00 72.50 70.46 1sj0 s THR 371 CO 0.54 -0.35 1.74 -0.07 -0.54 0.00 0.00 174.62 175.93 1sj0 h LEU 372 N 0.68 0.07 -0.75 4.79 3.38 -1.97 -0.65 115.31 120.87 1sj0 h LEU 372 Ca -0.48 0.06 0.11 0.00 0.09 0.00 0.00 57.88 57.66 1sj0 h LEU 372 Cb 1.23 0.07 -0.08 0.00 0.09 0.00 0.00 40.66 41.97 1sj0 h LEU 372 CO 0.57 0.07 0.37 -0.74 0.09 0.00 0.00 178.44 178.80 1sj0 h HIS 373 N 0.25 0.65 -0.28 1.13 2.76 -2.00 -1.05 115.15 116.61 1sj0 h HIS 373 Ca 0.19 0.03 -0.13 0.00 -2.20 0.00 0.00 60.37 58.27 1sj0 h HIS 373 Cb 0.21 -0.18 -0.01 0.00 1.55 0.00 0.00 27.41 28.98 1sj0 h HIS 373 CO -0.18 0.20 -0.34 -0.44 -1.30 0.00 0.00 177.93 175.87 1sj0 h ASP 374 N 0.59 0.65 -0.77 3.26 3.32 -1.66 -1.69 116.42 120.12 1sj0 h ASP 374 Ca 0.38 -0.27 -0.05 0.00 0.02 0.00 0.00 57.03 57.11 1sj0 h ASP 374 Cb 0.45 -0.18 -0.03 0.00 0.22 0.00 0.00 39.33 39.79 1sj0 h ASP 374 CO -0.30 0.94 0.27 1.56 -1.72 0.00 0.00 179.24 179.99 1sj0 h GLN 375 N 0.52 1.17 -0.59 3.56 4.20 -0.41 -1.25 115.11 122.31 1sj0 h GLN 375 Ca 0.06 -0.23 -0.09 0.00 0.06 0.00 0.00 58.65 58.44 1sj0 h GLN 375 Cb 0.84 -0.18 -0.02 0.00 0.30 0.00 0.00 27.48 28.42 1sj0 h GLN 375 CO 0.07 0.97 0.01 0.28 -0.67 0.00 0.00 178.83 179.49 1sj0 h VAL 376 N 1.13 1.27 -0.35 -0.54 2.07 -0.98 -2.47 116.25 116.36 1sj0 h VAL 376 Ca 0.25 -1.13 -0.01 0.00 0.82 0.00 0.00 66.70 66.63 1sj0 h VAL 376 Cb 0.26 0.82 -0.02 0.00 -1.52 0.00 0.00 31.29 30.83 1sj0 h VAL 376 CO -0.01 0.41 0.18 -0.74 0.02 0.00 0.00 177.57 177.42 1sj0 h HIS 377 N 0.93 0.50 -0.42 1.57 -0.00 -1.03 0.28 115.15 116.99 1sj0 h HIS 377 Ca 0.17 -0.02 -0.03 0.00 -0.00 0.00 0.00 60.37 60.49 1sj0 h HIS 377 Cb 0.54 -0.16 -0.02 0.00 -0.00 0.00 0.00 27.41 27.78 1sj0 h HIS 377 CO 0.04 0.42 0.16 -0.07 -0.00 0.00 0.00 177.93 178.48 1sj0 h LEU 378 N 0.44 0.58 -0.53 0.26 3.38 -1.15 -2.40 115.31 115.89 1sj0 h LEU 378 Ca 0.12 -0.17 -0.13 0.00 0.09 0.00 0.00 57.88 57.79 1sj0 h LEU 378 Cb 0.10 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.68 1sj0 h LEU 378 CO -0.02 0.60 -0.20 -0.07 0.09 0.00 0.00 178.44 178.85 1sj0 h LEU 379 N 0.53 1.01 -1.54 1.67 3.38 -1.42 -0.83 115.31 118.10 1sj0 h LEU 379 Ca 0.14 -0.37 -0.05 0.00 0.09 0.00 0.00 57.88 57.69 1sj0 h LEU 379 Cb 0.20 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.67 1sj0 h LEU 379 CO -0.01 1.16 -0.23 -0.08 0.09 0.00 0.00 178.44 179.37 1sj0 h GLU 380 N 0.86 0.00 0.07 1.13 4.81 -0.75 0.42 114.58 121.12 1sj0 h GLU 380 Ca 0.12 0.00 -0.25 0.00 -0.13 0.00 0.00 59.36 59.10 1sj0 h GLU 380 Cb 0.77 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.14 1sj0 h GLU 380 CO 0.06 0.23 -1.17 0.00 -0.73 0.00 0.00 179.01 177.40 1sj0 n ALA 382 N -2.46 3.77 -0.30 0.00 0.00 -0.33 -4.69 120.51 116.50 1sj0 n ALA 382 Ca -0.06 -0.41 0.04 0.00 0.00 0.00 0.00 53.44 53.02 1sj0 n ALA 382 Cb 0.99 -0.53 0.19 0.00 0.00 0.00 0.00 19.45 20.10 1sj0 n ALA 382 CO 0.00 0.00 0.00 0.11 0.00 0.00 0.00 177.50 177.61 1sj0 h TRP 383 N 0.00 0.87 -0.34 0.00 5.08 -1.15 -1.28 115.95 119.14 1sj0 h TRP 383 Ca 0.00 0.03 -0.11 0.00 1.08 0.00 0.00 58.89 59.89 1sj0 h TRP 383 Cb 0.38 -0.26 -0.01 0.00 -3.00 0.00 0.00 29.16 26.26 1sj0 h TRP 383 CO 0.00 0.33 -0.22 1.25 -1.28 0.00 0.00 178.44 178.52 1sj0 h LEU 384 N 0.78 0.78 -1.01 0.11 5.85 -1.86 -1.04 115.31 118.93 1sj0 h LEU 384 Ca 0.42 -0.43 0.08 0.00 0.84 0.00 0.00 57.88 58.79 1sj0 h LEU 384 Cb 0.43 -0.22 -0.07 0.00 0.37 0.00 0.00 40.66 41.17 1sj0 h LEU 384 CO -0.27 1.04 0.65 -0.33 -0.34 0.00 0.00 178.44 179.19 1sj0 h GLU 385 N 0.53 1.10 -0.34 1.25 5.08 -1.64 -0.49 114.58 120.07 1sj0 h GLU 385 Ca 0.07 -0.07 -0.06 0.00 -1.00 0.00 0.00 59.36 58.30 1sj0 h GLU 385 Cb 0.77 -0.25 -0.01 0.00 0.50 0.00 0.00 28.75 29.76 1sj0 h GLU 385 CO 0.06 0.73 -0.04 0.82 -1.00 0.00 0.00 179.01 179.58 1sj0 h ILE 386 N 1.13 1.27 -0.44 3.13 2.04 -1.04 0.18 117.51 123.77 1sj0 h ILE 386 Ca 0.45 -1.05 0.02 0.00 1.00 0.00 0.00 64.86 65.28 1sj0 h ILE 386 Cb 0.26 1.28 -0.03 0.00 -0.74 0.00 0.00 36.82 37.59 1sj0 h ILE 386 CO -0.20 0.34 0.27 -0.07 0.00 0.00 0.00 178.15 178.49 1sj0 h LEU 387 N 0.41 0.44 -0.60 1.44 3.38 -0.81 -2.49 115.31 117.08 1sj0 h LEU 387 Ca 0.09 -0.00 -0.14 0.00 0.09 0.00 0.00 57.88 57.92 1sj0 h LEU 387 Cb 0.52 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 41.16 1sj0 h LEU 387 CO 0.03 0.32 -0.35 0.24 0.09 0.00 0.00 178.44 178.76 1sj0 h MET 388 N 0.54 0.72 -0.01 1.13 2.86 -0.87 -1.45 114.93 117.85 1sj0 h MET 388 Ca 0.17 -0.35 -0.13 0.00 -2.06 0.00 0.00 59.70 57.33 1sj0 h MET 388 Cb -0.01 -0.00 -0.02 0.00 0.06 0.00 0.00 31.60 31.63 1sj0 h MET 388 CO -0.07 0.96 -0.63 0.97 1.06 0.00 0.00 176.91 179.20 1sj0 h ILE 389 N 0.60 1.44 -0.73 -1.22 2.10 -0.57 -2.10 117.51 117.02 1sj0 h ILE 389 Ca 0.06 -2.13 -0.06 0.00 1.08 0.00 0.00 64.86 63.81 1sj0 h ILE 389 Cb 0.88 2.14 -0.03 0.00 -1.09 0.00 0.00 36.82 38.72 1sj0 h ILE 389 CO 0.08 0.61 0.21 1.23 -1.08 0.00 0.00 178.15 179.20 1sj0 h GLY 390 N 1.82 1.24 1.02 8.18 0.00 -1.19 -1.94 103.07 112.20 1sj0 h GLY 390 Ca -0.01 -0.75 -0.07 0.00 0.00 0.00 0.00 47.33 46.50 1sj0 h GLY 390 CO 0.08 0.70 0.09 -2.00 0.00 0.00 0.00 176.54 175.42 1sj0 h LEU 391 N 1.10 0.89 -0.76 3.11 5.85 -1.05 -2.35 115.31 122.11 1sj0 h LEU 391 Ca 0.23 -0.26 -0.08 0.00 0.84 0.00 0.00 57.88 58.62 1sj0 h LEU 391 Cb 0.34 -0.24 -0.02 0.00 0.37 0.00 0.00 40.66 41.11 1sj0 h LEU 391 CO -0.00 0.92 0.05 0.58 -0.34 0.00 0.00 178.44 179.64 1sj0 h VAL 392 N 0.82 1.26 -0.50 1.05 2.07 -1.33 -1.43 116.25 118.18 1sj0 h VAL 392 Ca 0.17 -1.05 -0.12 0.00 0.82 0.00 0.00 66.70 66.52 1sj0 h VAL 392 Cb 0.41 0.75 -0.02 0.00 -1.52 0.00 0.00 31.29 30.91 1sj0 h VAL 392 CO 0.01 0.38 -0.14 -0.25 0.02 0.00 0.00 177.57 177.59 1sj0 h TRP 393 N 0.92 1.09 0.00 1.57 2.91 -1.25 -2.37 115.95 118.82 1sj0 h TRP 393 Ca 0.18 -0.23 0.00 0.00 1.13 0.00 0.00 58.89 59.97 1sj0 h TRP 393 Cb 0.47 -0.27 0.00 0.00 -0.51 0.00 0.00 29.16 28.85 1sj0 h TRP 393 CO 0.03 1.03 -0.31 2.89 -1.03 0.00 0.00 178.44 181.05 1sj0 n ARG 394 N -4.14 0.25 0.00 2.65 1.85 -0.89 -3.12 116.66 113.27 1sj0 n ARG 394 Ca 0.01 0.14 0.13 0.00 -1.00 0.00 0.00 57.85 57.13 1sj0 n ARG 394 Cb 0.41 -1.72 0.35 0.00 -1.05 0.00 0.00 32.46 30.44 1sj0 n ARG 394 CO 0.00 0.00 0.00 0.43 -0.01 0.00 0.00 177.63 178.05 1sj0 n SER 395 N -2.13 0.89 -0.25 2.89 7.64 -0.56 -4.50 113.62 117.62 1sj0 n SER 395 Ca 0.05 -0.73 -0.09 0.00 1.01 0.00 0.00 58.87 59.11 1sj0 n SER 395 Cb 0.43 0.17 -0.04 0.00 -1.01 0.00 0.00 64.21 63.75 1sj0 n SER 395 CO 0.00 0.00 0.00 0.24 -3.01 0.00 0.00 175.04 172.27 1sj0 h MET 396 N 0.90 -0.19 -0.93 1.43 2.86 -1.37 0.14 114.93 117.78 1sj0 h MET 396 Ca 0.00 0.01 -0.03 0.00 -2.06 0.00 0.00 59.70 57.62 1sj0 h MET 396 Cb 0.50 0.04 -0.02 0.00 0.06 0.00 0.00 31.60 32.19 1sj0 h MET 396 CO 0.00 -0.12 0.04 0.39 1.06 0.00 0.00 176.91 178.28 1sj0 n GLU 397 N -5.39 1.78 -3.21 1.72 1.02 -1.26 -4.12 120.64 111.18 1sj0 n GLU 397 Ca 0.02 -0.75 -0.24 0.00 -0.02 0.00 0.00 57.16 56.18 1sj0 n GLU 397 Cb 0.34 -1.58 -0.06 0.00 -0.02 0.00 0.00 31.44 30.12 1sj0 n GLU 397 CO 0.00 0.00 0.00 0.72 1.18 0.00 0.00 177.13 179.03 1sj0 n HIS 398 N 0.14 1.37 -1.55 -0.32 8.25 0.48 -5.11 115.22 118.48 1sj0 n HIS 398 Ca 0.09 -3.83 -0.46 0.00 -0.26 0.00 0.00 57.72 53.25 1sj0 n HIS 398 Cb 0.55 -0.44 -0.03 0.00 1.12 0.00 0.00 29.99 31.20 1sj0 n HIS 398 CO 0.00 0.00 0.00 -2.30 0.64 0.00 0.00 176.34 174.68 1sj0 n PRO 399 N 0.77 1.06 -0.54 -0.41 -0.02 -1.26 -1.44 135.00 133.17 1sj0 n PRO 399 Ca 0.26 0.37 0.00 0.00 -2.02 0.00 0.00 63.50 62.11 1sj0 n PRO 399 Cb 0.51 -1.72 0.00 0.00 -0.02 0.00 0.00 33.50 32.27 1sj0 n PRO 399 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1sj0 n GLY 400 N 1.57 1.33 3.15 -1.23 0.00 -1.26 -4.98 105.19 103.77 1sj0 n GLY 400 Ca 0.13 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.95 1sj0 n GLY 400 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1sj0 s LYS 401 N -0.15 0.90 -0.23 1.61 1.02 -0.52 -3.99 119.74 118.37 1sj0 s LYS 401 Ca 0.00 -0.80 -0.08 0.00 0.02 0.00 0.00 55.97 55.11 1sj0 s LYS 401 Cb 0.00 -0.91 -0.04 0.00 -0.52 0.00 0.00 37.83 36.37 1sj0 s LYS 401 CO 0.00 0.22 0.09 -0.51 -0.92 0.00 0.00 175.35 174.23 1sj0 s LEU 402 N -1.27 3.68 -1.17 3.17 1.43 0.23 -4.77 118.68 119.98 1sj0 s LEU 402 Ca 0.01 -0.07 -0.14 0.00 -1.03 0.00 0.00 54.13 52.89 1sj0 s LEU 402 Cb -0.08 -1.98 0.17 0.00 0.03 0.00 0.00 46.19 44.33 1sj0 s LEU 402 CO 0.01 0.03 1.40 -0.22 0.23 0.00 0.00 176.35 177.80 1sj0 s LEU 403 N 1.22 5.06 0.17 1.79 2.96 -1.26 -0.99 118.68 127.63 1sj0 s LEU 403 Ca 0.05 -2.90 -0.15 0.00 -0.22 0.00 0.00 54.13 50.92 1sj0 s LEU 403 Cb -0.14 -2.40 0.08 0.00 0.50 0.00 0.00 46.19 44.22 1sj0 s LEU 403 CO 0.04 -0.78 1.80 -0.26 -1.32 0.00 0.00 176.35 175.83 1sj0 h PHE 404 N 7.34 0.48 -3.53 5.38 0.04 -1.73 -3.43 116.94 121.49 1sj0 h PHE 404 Ca 0.30 0.02 -0.08 0.00 2.80 0.00 0.00 57.97 61.00 1sj0 h PHE 404 Cb 0.89 -0.15 -0.15 0.00 2.20 0.00 0.00 35.95 38.74 1sj0 h PHE 404 CO 1.11 0.27 -0.26 0.00 -0.60 0.00 0.00 178.31 178.83 1sj0 s ALA 405 N -6.15 -0.55 0.53 2.45 0.00 -1.09 -4.94 121.76 112.01 1sj0 s ALA 405 Ca -0.13 -0.26 0.30 0.00 0.00 0.00 0.00 51.96 51.87 1sj0 s ALA 405 Cb 0.12 0.48 1.45 0.00 0.00 0.00 0.00 23.12 25.17 1sj0 s ALA 405 CO 0.73 -0.51 1.89 -1.35 0.00 0.00 0.00 175.76 176.52 1sj0 h PRO 406 N 2.83 0.03 -0.67 0.00 0.11 -1.87 1.03 132.00 133.47 1sj0 h PRO 406 Ca -0.33 -0.00 -0.18 0.00 0.11 0.00 0.00 66.00 65.60 1sj0 h PRO 406 Cb 1.21 -0.01 -0.10 0.00 0.11 0.00 0.00 31.00 32.21 1sj0 h PRO 406 CO 0.50 0.02 0.20 0.27 -0.21 0.00 0.00 178.00 178.79 1sj0 n ASN 407 N -4.29 4.75 -3.07 -2.05 6.94 -1.26 -4.67 115.26 111.60 1sj0 n ASN 407 Ca 0.19 -3.21 -0.10 0.00 -0.02 0.00 0.00 54.58 51.43 1sj0 n ASN 407 Cb 0.94 -0.72 -0.03 0.00 -2.36 0.00 0.00 39.78 37.61 1sj0 n ASN 407 CO 0.00 0.00 0.00 -0.22 -1.03 0.00 0.00 177.26 176.01 1sj0 s LEU 408 N -2.98 -0.63 -0.38 -4.53 2.96 0.36 -4.89 118.68 108.60 1sj0 s LEU 408 Ca 0.54 -1.84 -0.13 0.00 -0.22 0.00 0.00 54.13 52.48 1sj0 s LEU 408 Cb 0.43 1.19 0.01 0.00 0.50 0.00 0.00 46.19 48.32 1sj0 s LEU 408 CO 0.13 -0.13 0.25 -0.22 -1.32 0.00 0.00 176.35 175.05 1sj0 s LEU 409 N 0.96 4.78 -0.02 -0.68 2.96 -1.25 -1.91 118.68 123.51 1sj0 s LEU 409 Ca 0.26 -0.79 0.07 0.00 -0.22 0.00 0.00 54.13 53.45 1sj0 s LEU 409 Cb -0.03 -2.10 -0.02 0.00 0.50 0.00 0.00 46.19 44.54 1sj0 s LEU 409 CO -0.08 -0.36 -0.24 -0.76 -1.32 0.00 0.00 176.35 173.59 1sj0 s LEU 410 N 1.65 2.18 0.53 -0.68 1.43 -0.16 -4.91 118.68 118.70 1sj0 s LEU 410 Ca 0.04 -0.43 0.09 0.00 -1.03 0.00 0.00 54.13 52.81 1sj0 s LEU 410 Cb -0.19 -1.38 0.06 0.00 0.03 0.00 0.00 46.19 44.72 1sj0 s LEU 410 CO 0.09 0.32 0.69 1.51 0.23 0.00 0.00 176.35 179.19 1sj0 s ASP 411 N -0.66 5.21 0.25 2.29 1.47 -1.26 0.75 116.67 124.71 1sj0 s ASP 411 Ca 0.10 -0.76 -0.04 0.00 1.18 0.00 0.00 52.55 53.03 1sj0 s ASP 411 Cb -0.10 0.03 0.38 0.00 -0.34 0.00 0.00 42.92 42.89 1sj0 s ASP 411 CO -0.01 -1.15 1.85 -0.09 0.68 0.00 0.00 175.17 176.46 1sj0 h ARG 412 N 0.37 0.97 0.00 2.11 2.43 -1.98 -1.49 114.38 116.80 1sj0 h ARG 412 Ca -0.33 -0.06 -0.10 0.00 -0.81 0.00 0.00 59.98 58.68 1sj0 h ARG 412 Cb 1.29 -0.22 -0.01 0.00 -0.42 0.00 0.00 29.97 30.60 1sj0 h ARG 412 CO 0.44 0.64 -0.45 -0.91 -1.51 0.00 0.00 179.97 178.18 1sj0 h ASN 413 N 1.00 0.00 0.41 -3.80 4.21 -1.95 -2.29 115.58 113.16 1sj0 h ASN 413 Ca 0.40 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.91 1sj0 h ASN 413 Cb 0.22 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.42 1sj0 h ASN 413 CO -0.19 0.45 0.00 1.56 -1.29 0.00 0.00 177.43 177.96 1sj0 h GLN 414 N 0.00 0.00 0.00 0.81 4.20 -1.66 -2.15 115.11 116.31 1sj0 h GLN 414 Ca -0.00 0.00 -0.00 0.00 0.06 0.00 0.00 58.65 58.70 1sj0 h GLN 414 Cb 0.88 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.66 1sj0 h GLN 414 CO 0.06 0.00 -0.85 0.78 -0.67 0.00 0.00 178.83 178.15 1sj0 h GLY 415 N 1.04 0.00 2.00 3.46 0.00 -1.27 -3.31 103.07 104.98 1sj0 h GLY 415 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.32 1sj0 h GLY 415 CO 0.00 0.00 -0.03 0.50 0.00 0.00 0.00 176.54 177.01 1sj0 h LYS 416 N 0.00 0.00 -0.66 4.80 1.57 -1.38 -2.54 116.57 118.35 1sj0 h LYS 416 Ca -0.00 0.00 0.16 0.00 -1.87 0.00 0.00 60.65 58.94 1sj0 h LYS 416 Cb 1.01 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 33.29 1sj0 h LYS 416 CO 0.00 0.03 0.46 0.00 -0.57 0.00 0.00 179.45 179.38 1sj0 s VAL 418 N -5.18 2.54 -0.39 0.00 0.11 -0.96 -5.06 120.40 111.47 1sj0 s VAL 418 Ca -0.06 -0.85 -0.43 0.00 -2.93 0.00 0.00 61.98 57.70 1sj0 s VAL 418 Cb 0.20 -2.02 -0.18 0.00 -1.53 0.00 0.00 36.38 32.86 1sj0 s VAL 418 CO 0.75 0.55 1.71 1.21 -3.33 0.00 0.00 175.10 175.98 1sj0 n GLU 419 N 3.45 0.62 -1.22 1.54 2.13 -1.26 -1.32 120.64 124.58 1sj0 n GLU 419 Ca -0.18 0.22 -0.08 0.00 0.66 0.00 0.00 57.16 57.78 1sj0 n GLU 419 Cb 0.53 -1.83 -0.03 0.00 0.27 0.00 0.00 31.44 30.37 1sj0 n GLU 419 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1sj0 n GLY 420 N 4.28 0.96 0.12 8.31 0.00 -1.26 -4.94 105.19 112.66 1sj0 n GLY 420 Ca 0.30 -0.66 -0.16 0.00 0.00 0.00 0.00 46.02 45.50 1sj0 n GLY 420 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 1sj0 n MET 421 N -2.72 0.68 0.20 1.61 1.56 -0.44 -4.14 117.12 113.87 1sj0 n MET 421 Ca -0.08 0.15 0.18 0.00 -0.27 0.00 0.00 57.70 57.69 1sj0 n MET 421 Cb 0.25 -1.59 0.83 0.00 2.15 0.00 0.00 33.22 34.86 1sj0 n MET 421 CO 0.00 0.00 0.00 -0.24 -0.73 0.00 0.00 175.97 175.00 1sj0 h VAL 422 N 0.01 0.33 -0.48 1.12 3.04 -1.76 0.73 116.25 119.24 1sj0 h VAL 422 Ca -0.51 0.00 -0.13 0.00 -1.01 0.00 0.00 66.70 65.05 1sj0 h VAL 422 Cb 2.03 0.76 -0.01 0.00 -2.01 0.00 0.00 31.29 32.06 1sj0 h VAL 422 CO -0.00 0.00 -0.22 -0.33 -1.01 0.00 0.00 177.57 176.01 1sj0 h GLU 423 N 0.00 0.99 -0.20 4.17 5.08 -1.93 -0.42 114.58 122.27 1sj0 h GLU 423 Ca 0.10 -0.43 -0.07 0.00 -1.00 0.00 0.00 59.36 57.96 1sj0 h GLU 423 Cb 0.67 -0.03 -0.00 0.00 0.50 0.00 0.00 28.75 29.89 1sj0 h GLU 423 CO -0.00 1.10 -0.17 0.82 -1.00 0.00 0.00 179.01 179.77 1sj0 h ILE 424 N 0.85 1.33 -0.39 3.13 1.08 -1.11 -2.93 117.51 119.46 1sj0 h ILE 424 Ca 0.11 -1.31 0.08 0.00 -0.39 0.00 0.00 64.86 63.35 1sj0 h ILE 424 Cb 0.80 1.74 -0.08 0.00 -3.07 0.00 0.00 36.82 36.21 1sj0 h ILE 424 CO 0.07 0.40 -0.13 -0.26 -0.69 0.00 0.00 178.15 177.54 1sj0 h PHE 425 N 0.14 -0.29 -1.00 1.37 0.05 -1.18 -0.64 116.94 115.39 1sj0 h PHE 425 Ca 0.04 0.04 0.04 0.00 3.82 0.00 0.00 57.97 61.90 1sj0 h PHE 425 Cb 0.70 0.19 -0.06 0.00 2.00 0.00 0.00 35.95 38.78 1sj0 h PHE 425 CO 0.08 -0.20 0.66 -0.44 -0.18 0.00 0.00 178.31 178.22 1sj0 h ASP 426 N -0.04 1.10 -0.16 2.17 3.32 -1.07 0.30 116.42 122.03 1sj0 h ASP 426 Ca 0.19 -0.01 -0.05 0.00 0.02 0.00 0.00 57.03 57.19 1sj0 h ASP 426 Cb 0.33 -0.25 -0.00 0.00 0.22 0.00 0.00 39.33 39.63 1sj0 h ASP 426 CO -0.43 0.75 -0.08 0.24 -1.72 0.00 0.00 179.24 178.00 1sj0 h MET 427 N 1.27 0.33 0.07 3.56 2.86 -1.21 -1.95 114.93 119.86 1sj0 h MET 427 Ca 0.40 -0.15 0.02 0.00 -2.06 0.00 0.00 59.70 57.91 1sj0 h MET 427 Cb -0.00 -0.01 -0.03 0.00 0.06 0.00 0.00 31.60 31.62 1sj0 h MET 427 CO -0.12 0.66 -0.20 -0.07 1.06 0.00 0.00 176.91 178.23 1sj0 h LEU 428 N 0.00 -0.57 -1.43 1.22 3.38 -0.60 -1.00 115.31 116.31 1sj0 h LEU 428 Ca 0.03 0.07 0.06 0.00 0.09 0.00 0.00 57.88 58.13 1sj0 h LEU 428 Cb 0.56 0.22 -0.04 0.00 0.09 0.00 0.00 40.66 41.49 1sj0 h LEU 428 CO 0.02 -0.28 0.44 -0.07 0.09 0.00 0.00 178.44 178.65 1sj0 h LEU 429 N -0.36 0.61 -0.61 1.67 3.38 -0.47 -0.90 115.31 118.62 1sj0 h LEU 429 Ca 0.04 0.00 -0.15 0.00 0.09 0.00 0.00 57.88 57.86 1sj0 h LEU 429 Cb 0.40 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 41.01 1sj0 h LEU 429 CO -0.14 0.40 -0.62 0.00 0.09 0.00 0.00 178.44 178.18 1sj0 h ALA 430 N 1.63 0.81 -0.56 1.53 0.00 -0.97 -2.04 119.26 119.67 1sj0 h ALA 430 Ca 0.28 -0.55 -0.02 0.00 0.00 0.00 0.00 54.91 54.62 1sj0 h ALA 430 Cb 0.22 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 17.90 1sj0 h ALA 430 CO -0.09 0.74 0.28 1.15 0.00 0.00 0.00 179.25 181.34 1sj0 h THR 431 N 0.19 1.20 -0.88 0.00 2.02 -0.15 -1.81 112.91 113.47 1sj0 h THR 431 Ca -0.01 -0.54 0.05 0.00 0.77 0.00 0.00 66.41 66.68 1sj0 h THR 431 Cb 1.14 0.52 -0.06 0.00 -1.74 0.00 0.00 68.15 68.01 1sj0 h THR 431 CO 0.10 0.22 0.56 -1.28 0.37 0.00 0.00 175.52 175.49 1sj0 h SER 432 N 0.76 0.91 -0.31 4.18 0.87 -1.04 -1.42 113.55 117.51 1sj0 h SER 432 Ca 0.19 0.00 0.02 0.00 -1.23 0.00 0.00 61.79 60.78 1sj0 h SER 432 Cb 0.09 -0.19 -0.03 0.00 -0.44 0.00 0.00 62.40 61.83 1sj0 h SER 432 CO -0.03 0.61 0.14 -1.28 -0.53 0.00 0.00 176.83 175.75 1sj0 h SER 433 N 1.06 0.20 -0.33 6.23 0.87 -1.08 -1.33 113.55 119.18 1sj0 h SER 433 Ca 0.37 0.02 -0.00 0.00 -1.23 0.00 0.00 61.79 60.94 1sj0 h SER 433 Cb 0.07 -0.02 -0.02 0.00 -0.44 0.00 0.00 62.40 62.00 1sj0 h SER 433 CO -0.14 0.16 0.19 -0.09 -0.53 0.00 0.00 176.83 176.42 1sj0 h ARG 434 N 0.30 0.45 -0.78 2.24 9.65 -0.59 -1.44 114.38 124.22 1sj0 h ARG 434 Ca 0.13 -0.04 0.03 0.00 -1.10 0.00 0.00 59.98 59.00 1sj0 h ARG 434 Cb 0.06 -0.09 -0.05 0.00 -1.39 0.00 0.00 29.97 28.50 1sj0 h ARG 434 CO -0.10 0.35 0.49 0.74 2.80 0.00 0.00 179.97 184.25 1sj0 h PHE 435 N 0.42 0.92 0.47 2.20 0.05 -1.12 -0.14 116.94 119.74 1sj0 h PHE 435 Ca 0.12 0.02 -0.01 0.00 3.82 0.00 0.00 57.97 61.92 1sj0 h PHE 435 Cb 0.02 -0.30 -0.01 0.00 2.00 0.00 0.00 35.95 37.65 1sj0 h PHE 435 CO -0.04 0.53 -0.37 -0.09 -0.18 0.00 0.00 178.31 178.17 1sj0 h ARG 436 N 0.96 -0.80 -0.27 1.51 2.43 -0.91 -0.47 114.38 116.82 1sj0 h ARG 436 Ca 0.31 0.05 0.08 0.00 -0.81 0.00 0.00 59.98 59.61 1sj0 h ARG 436 Cb 0.01 0.18 -0.01 0.00 -0.42 0.00 0.00 29.97 29.73 1sj0 h ARG 436 CO -0.11 -0.53 0.23 1.98 -1.51 0.00 0.00 179.97 180.03 1sj0 h MET 437 N -0.83 0.00 -0.00 0.20 4.05 -1.03 0.27 114.93 117.59 1sj0 h MET 437 Ca -0.05 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.37 1sj0 h MET 437 Cb 0.71 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 31.51 1sj0 h MET 437 CO -0.00 0.00 -0.44 -1.33 0.23 0.00 0.00 176.91 175.36 1sj0 n MET 438 N -4.15 0.26 -3.69 0.39 2.81 -0.09 -4.95 117.12 107.71 1sj0 n MET 438 Ca 0.04 -0.16 -0.22 0.00 -1.81 0.00 0.00 57.70 55.55 1sj0 n MET 438 Cb 0.38 -1.50 0.04 0.00 -0.71 0.00 0.00 33.22 31.44 1sj0 n MET 438 CO 0.00 0.00 0.00 -1.71 1.51 0.00 0.00 175.97 175.77 1sj0 n ASN 439 N -1.23 -2.12 -4.64 7.83 5.15 0.95 -4.89 115.26 116.31 1sj0 n ASN 439 Ca 0.07 -0.77 -0.46 0.00 -0.60 0.00 0.00 54.58 52.83 1sj0 n ASN 439 Cb 0.34 -4.24 -0.03 0.00 -0.53 0.00 0.00 39.78 35.32 1sj0 n ASN 439 CO 0.00 0.00 0.00 -0.11 1.40 0.00 0.00 177.26 178.55 1sj0 n LEU 440 N -4.35 2.65 -4.97 1.20 7.94 -0.66 -4.98 117.00 113.83 1sj0 n LEU 440 Ca -0.23 1.15 -0.21 0.00 -1.11 0.00 0.00 56.01 55.60 1sj0 n LEU 440 Cb 0.65 -1.37 -0.02 0.00 0.53 0.00 0.00 43.42 43.21 1sj0 n LEU 440 CO 0.68 -0.75 -0.03 -1.10 -1.11 0.00 0.00 177.39 175.08 1sj0 s GLN 441 N -0.55 3.44 0.48 1.96 -1.52 -1.26 -4.98 119.66 117.23 1sj0 s GLN 441 Ca 0.68 -0.74 0.22 0.00 -1.95 0.00 0.00 55.36 53.57 1sj0 s GLN 441 Cb -0.70 -2.88 1.20 0.00 -0.22 0.00 0.00 33.01 30.41 1sj0 s GLN 441 CO 0.52 0.42 2.00 0.78 -0.25 0.00 0.00 175.29 178.75 1sj0 h GLY 442 N 1.16 0.00 1.49 3.09 0.00 -1.99 -1.11 103.07 105.71 1sj0 h GLY 442 Ca -0.52 0.00 -0.24 0.00 0.00 0.00 0.00 47.33 46.57 1sj0 h GLY 442 CO 0.61 0.00 -1.00 0.83 0.00 0.00 0.00 176.54 176.98 1sj0 h GLU 443 N 0.00 0.45 -0.09 4.80 3.07 -1.98 -2.81 114.58 118.01 1sj0 h GLU 443 Ca -0.00 -0.51 -0.05 0.00 -0.50 0.00 0.00 59.36 58.30 1sj0 h GLU 443 Cb 0.41 0.15 -0.00 0.00 -0.84 0.00 0.00 28.75 28.47 1sj0 h GLU 443 CO 0.02 1.16 -0.15 0.93 -1.40 0.00 0.00 179.01 179.58 1sj0 h GLU 444 N 0.24 0.25 -1.00 2.33 5.08 -1.86 -3.11 114.58 116.51 1sj0 h GLU 444 Ca -0.10 -0.16 0.11 0.00 -1.00 0.00 0.00 59.36 58.21 1sj0 h GLU 444 Cb 1.65 0.02 -0.08 0.00 0.50 0.00 0.00 28.75 30.84 1sj0 h GLU 444 CO 0.18 0.74 0.63 0.35 -1.00 0.00 0.00 179.01 179.90 1sj0 h PHE 445 N -0.20 1.14 -0.04 4.33 3.57 -1.29 0.11 116.94 124.57 1sj0 h PHE 445 Ca 0.01 0.03 -0.12 0.00 3.53 0.00 0.00 57.97 61.42 1sj0 h PHE 445 Cb 0.72 -0.36 -0.01 0.00 2.79 0.00 0.00 35.95 39.08 1sj0 h PHE 445 CO 0.11 0.48 -0.53 -0.39 -2.23 0.00 0.00 178.31 175.75 1sj0 h VAL 446 N 1.02 1.37 -0.27 1.41 -1.51 -1.50 -0.67 116.25 116.10 1sj0 h VAL 446 Ca 0.48 -1.82 -0.05 0.00 -1.23 0.00 0.00 66.70 64.08 1sj0 h VAL 446 Cb 0.42 1.94 -0.01 0.00 -2.13 0.00 0.00 31.29 31.52 1sj0 h VAL 446 CO -0.24 0.53 -0.02 0.00 -1.23 0.00 0.00 177.57 176.60 1sj0 h LEU 448 N 0.27 -0.30 -1.18 0.00 3.38 -0.76 -0.90 115.31 115.82 1sj0 h LEU 448 Ca 0.07 0.06 0.08 0.00 0.09 0.00 0.00 57.88 58.19 1sj0 h LEU 448 Cb 0.47 0.15 -0.06 0.00 0.09 0.00 0.00 40.66 41.31 1sj0 h LEU 448 CO 0.02 -0.13 0.58 0.50 0.09 0.00 0.00 178.44 179.50 1sj0 h LYS 449 N -0.11 0.92 -0.04 1.13 3.64 -1.03 -0.90 116.57 120.19 1sj0 h LYS 449 Ca 0.08 -0.06 -0.14 0.00 -1.27 0.00 0.00 60.65 59.27 1sj0 h LYS 449 Cb 0.22 -0.21 -0.01 0.00 -0.41 0.00 0.00 32.23 31.82 1sj0 h LYS 449 CO -0.18 0.61 -0.60 0.77 -2.27 0.00 0.00 179.45 177.78 1sj0 h SER 450 N 0.95 0.14 -0.50 4.20 0.02 -0.96 -2.65 113.55 114.75 1sj0 h SER 450 Ca 0.40 -0.08 -0.08 0.00 -0.84 0.00 0.00 61.79 61.19 1sj0 h SER 450 Cb 0.29 -0.04 -0.02 0.00 0.14 0.00 0.00 62.40 62.77 1sj0 h SER 450 CO -0.16 0.70 0.01 0.40 -1.14 0.00 0.00 176.83 176.65 1sj0 h ILE 451 N 0.09 1.26 -0.22 3.27 2.04 0.19 -2.28 117.51 121.86 1sj0 h ILE 451 Ca -0.01 -1.06 0.04 0.00 1.00 0.00 0.00 64.86 64.83 1sj0 h ILE 451 Cb 1.08 0.96 -0.04 0.00 -0.74 0.00 0.00 36.82 38.08 1sj0 h ILE 451 CO 0.09 0.37 -0.01 0.40 0.00 0.00 0.00 178.15 179.00 1sj0 h ILE 452 N 0.73 0.83 -0.52 -0.67 2.04 -1.28 0.89 117.51 119.53 1sj0 h ILE 452 Ca 0.14 -0.02 0.10 0.00 1.00 0.00 0.00 64.86 66.08 1sj0 h ILE 452 Cb 0.50 0.77 -0.08 0.00 -0.74 0.00 0.00 36.82 37.27 1sj0 h ILE 452 CO 0.02 0.01 0.05 0.25 0.00 0.00 0.00 178.15 178.49 1sj0 h LEU 453 N 0.06 -0.11 0.21 1.44 5.85 -1.38 -0.84 115.31 120.54 1sj0 h LEU 453 Ca 0.11 0.11 -0.32 0.00 0.84 0.00 0.00 57.88 58.62 1sj0 h LEU 453 Cb 0.14 0.18 0.03 0.00 0.37 0.00 0.00 40.66 41.37 1sj0 h LEU 453 CO -0.19 -0.03 -1.41 -0.07 -0.34 0.00 0.00 178.44 176.41 1sj0 h LEU 454 N 0.18 0.70 0.15 2.25 3.38 -0.85 -3.37 115.31 117.75 1sj0 h LEU 454 Ca 0.27 -0.76 -0.31 0.00 0.09 0.00 0.00 57.88 57.17 1sj0 h LEU 454 Cb 0.39 -0.23 0.03 0.00 0.09 0.00 0.00 40.66 40.94 1sj0 h LEU 454 CO -0.39 1.59 -1.32 -1.13 0.09 0.00 0.00 178.44 177.28 1sj0 h ASN 455 N 0.12 0.80 -0.72 -0.43 -1.24 0.82 -3.37 115.58 111.56 1sj0 h ASN 455 Ca -0.22 -0.78 -0.00 0.00 0.71 0.00 0.00 56.30 56.01 1sj0 h ASN 455 Cb 2.11 -0.25 -0.04 0.00 0.73 0.00 0.00 38.32 40.87 1sj0 h ASN 455 CO 0.25 1.60 0.44 0.28 -1.29 0.00 0.00 177.43 178.71 1sj0 h SER 456 N 0.20 0.87 -0.42 1.15 0.02 -1.31 -2.96 113.55 111.10 1sj0 h SER 456 Ca -0.20 -0.05 0.00 0.00 -0.84 0.00 0.00 61.79 60.70 1sj0 h SER 456 Cb 2.00 -0.22 0.00 0.00 0.14 0.00 0.00 62.40 64.32 1sj0 h SER 456 CO 0.25 0.66 0.00 0.61 -1.14 0.00 0.00 176.83 177.21 1sj0 n GLY 457 N -1.31 2.12 0.26 -3.77 0.00 -1.26 -4.60 105.19 96.62 1sj0 n GLY 457 Ca 0.08 -0.56 0.08 0.00 0.00 0.00 0.00 46.02 45.62 1sj0 n GLY 457 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1sj0 h VAL 458 N 3.17 0.99 -0.00 1.61 2.07 -1.69 -2.70 116.25 119.71 1sj0 h VAL 458 Ca 0.00 -0.11 0.00 0.00 0.82 0.00 0.00 66.70 67.41 1sj0 h VAL 458 Cb 0.82 1.06 0.00 0.00 -1.52 0.00 0.00 31.29 31.65 1sj0 h VAL 458 CO 0.00 0.03 -0.46 -1.22 0.02 0.00 0.00 177.57 175.94 1sj0 n TYR 459 N -4.46 0.00 -0.71 1.57 4.02 -1.26 -3.87 117.16 112.45 1sj0 n TYR 459 Ca -0.03 0.00 0.08 0.00 -0.01 0.00 0.00 57.90 57.94 1sj0 n TYR 459 Cb 0.12 -0.25 0.26 0.00 -0.02 0.00 0.00 39.34 39.45 1sj0 n TYR 459 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 176.86 176.10 1sj0 n THR 460 N -1.42 1.91 -1.93 -0.72 -2.24 -1.02 -4.94 114.28 103.93 1sj0 n THR 460 Ca 0.06 -1.51 -0.42 0.00 -2.27 0.00 0.00 64.05 59.91 1sj0 n THR 460 Cb 0.34 0.00 -0.03 0.00 -2.10 0.00 0.00 70.33 68.54 1sj0 n THR 460 CO 0.00 0.00 0.00 -0.36 -0.57 0.00 0.00 175.07 174.14 1sj0 s PHE 461 N -2.19 2.88 0.00 4.78 0.40 -1.22 -4.93 117.98 117.70 1sj0 s PHE 461 Ca 0.39 0.53 0.00 0.00 -0.60 0.00 0.00 56.93 57.26 1sj0 s PHE 461 Cb 0.29 -3.94 0.00 0.00 0.51 0.00 0.00 43.02 39.87 1sj0 s PHE 461 CO 0.13 -3.56 0.00 1.28 0.70 0.00 0.00 175.22 173.77 1sj0 n LEU 462 N 4.44 0.00 0.00 -0.37 4.32 -1.26 -4.81 117.00 119.31 1sj0 n LEU 462 Ca 0.14 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 56.13 1sj0 n LEU 462 Cb 0.39 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 42.19 1sj0 n LEU 462 CO 0.62 0.00 0.00 -1.54 -1.22 0.00 0.00 177.39 175.25 1sj0 n SER 463 N 0.00 0.00 -2.92 -1.43 3.41 -1.26 -5.11 113.62 106.31 1sj0 n SER 463 Ca 0.00 0.00 -0.00 0.00 -0.26 0.00 0.00 58.87 58.61 1sj0 n SER 463 Cb 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 1sj0 n SER 463 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 1sj0 s SER 464 N -1.00 -1.00 0.97 4.04 0.01 -1.26 -5.01 113.70 110.45 1sj0 s SER 464 Ca 0.00 -0.72 -0.15 0.00 1.31 0.00 0.00 55.95 56.39 1sj0 s SER 464 Cb 0.00 1.29 0.18 0.00 0.21 0.00 0.00 66.02 67.70 1sj0 s SER 464 CO 0.00 -0.09 1.24 0.42 0.41 0.00 0.00 173.24 175.23 1sj0 s THR 465 N 1.58 1.94 0.18 1.44 -4.23 -1.26 -4.75 115.64 110.53 1sj0 s THR 465 Ca 0.19 0.00 -0.13 0.00 -1.18 0.00 0.00 61.69 60.57 1sj0 s THR 465 Cb 0.01 -2.89 0.07 0.00 1.34 0.00 0.00 72.50 71.03 1sj0 s THR 465 CO -0.09 0.00 1.79 0.25 -0.54 0.00 0.00 174.62 176.02 1sj0 h LEU 466 N -1.67 0.36 -1.41 4.79 5.85 -2.01 0.28 115.31 121.51 1sj0 h LEU 466 Ca -0.46 0.03 -0.02 0.00 0.84 0.00 0.00 57.88 58.28 1sj0 h LEU 466 Cb 1.27 -0.04 -0.02 0.00 0.37 0.00 0.00 40.66 42.24 1sj0 h LEU 466 CO 0.45 0.25 0.20 0.50 -0.34 0.00 0.00 178.44 179.51 1sj0 h LYS 467 N 0.49 0.60 -0.81 1.25 3.64 -2.00 -1.02 116.57 118.72 1sj0 h LYS 467 Ca 0.22 -0.07 -0.04 0.00 -1.27 0.00 0.00 60.65 59.49 1sj0 h LYS 467 Cb 0.12 -0.12 -0.04 0.00 -0.41 0.00 0.00 32.23 31.78 1sj0 h LYS 467 CO -0.15 0.47 0.36 1.03 -2.27 0.00 0.00 179.45 178.90 1sj0 h SER 468 N 0.60 1.09 -0.15 4.20 0.87 -1.65 -1.79 113.55 116.73 1sj0 h SER 468 Ca 0.15 -0.15 -0.11 0.00 -1.23 0.00 0.00 61.79 60.45 1sj0 h SER 468 Cb 0.07 -0.28 -0.01 0.00 -0.44 0.00 0.00 62.40 61.74 1sj0 h SER 468 CO -0.02 0.94 -0.26 -0.07 -0.53 0.00 0.00 176.83 176.89 1sj0 h LEU 469 N 1.17 0.63 -0.71 2.23 3.38 0.29 -2.46 115.31 119.84 1sj0 h LEU 469 Ca 0.28 -0.23 -0.14 0.00 0.09 0.00 0.00 57.88 57.88 1sj0 h LEU 469 Cb 0.16 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.73 1sj0 h LEU 469 CO -0.03 0.87 -0.57 -0.33 0.09 0.00 0.00 178.44 178.47 1sj0 h GLU 470 N 0.53 0.24 0.34 1.13 5.08 -1.05 -1.31 114.58 119.54 1sj0 h GLU 470 Ca 0.07 -0.15 -0.01 0.00 -1.00 0.00 0.00 59.36 58.27 1sj0 h GLU 470 Cb 0.73 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 30.00 1sj0 h GLU 470 CO 0.06 0.74 -0.21 0.93 -1.00 0.00 0.00 179.01 179.52 1sj0 h GLU 471 N 0.18 -0.51 -0.52 2.33 4.39 -1.09 0.30 114.58 119.66 1sj0 h GLU 471 Ca -0.00 0.04 0.05 0.00 0.34 0.00 0.00 59.36 59.79 1sj0 h GLU 471 Cb 1.05 0.12 -0.05 0.00 -0.10 0.00 0.00 28.75 29.77 1sj0 h GLU 471 CO 0.09 -0.34 0.24 0.87 -1.16 0.00 0.00 179.01 178.71 1sj0 h LYS 472 N -0.53 0.46 -0.41 2.33 1.57 -1.41 -0.01 116.57 118.56 1sj0 h LYS 472 Ca -0.03 -0.03 0.03 0.00 -1.87 0.00 0.00 60.65 58.75 1sj0 h LYS 472 Cb 0.44 -0.10 -0.03 0.00 0.08 0.00 0.00 32.23 32.62 1sj0 h LYS 472 CO 0.03 0.30 0.21 0.22 -0.57 0.00 0.00 179.45 179.64 1sj0 h ASP 473 N 0.47 0.31 -0.61 0.86 3.58 -0.98 -0.09 116.42 119.95 1sj0 h ASP 473 Ca 0.23 0.02 0.00 0.00 0.42 0.00 0.00 57.03 57.71 1sj0 h ASP 473 Cb 0.18 -0.04 -0.03 0.00 1.72 0.00 0.00 39.33 41.16 1sj0 h ASP 473 CO -0.18 0.22 0.40 -0.74 -2.88 0.00 0.00 179.24 176.06 1sj0 h HIS 474 N 0.42 0.78 -0.43 0.28 2.76 -0.31 -1.32 115.15 117.33 1sj0 h HIS 474 Ca 0.17 0.01 -0.04 0.00 -2.20 0.00 0.00 60.37 58.32 1sj0 h HIS 474 Cb 0.07 -0.26 -0.02 0.00 1.55 0.00 0.00 27.41 28.76 1sj0 h HIS 474 CO -0.10 0.50 0.11 0.82 -1.30 0.00 0.00 177.93 177.96 1sj0 h ILE 475 N 0.83 1.23 -0.49 6.26 2.04 -0.64 -0.63 117.51 126.10 1sj0 h ILE 475 Ca 0.22 -0.79 -0.05 0.00 1.00 0.00 0.00 64.86 65.24 1sj0 h ILE 475 Cb -0.08 0.93 -0.02 0.00 -0.74 0.00 0.00 36.82 36.90 1sj0 h ILE 475 CO -0.05 0.28 0.09 0.45 0.00 0.00 0.00 178.15 178.92 1sj0 h HIS 476 N 0.56 0.79 -0.35 1.37 3.86 -0.73 0.10 115.15 120.75 1sj0 h HIS 476 Ca 0.14 -0.08 -0.10 0.00 -1.16 0.00 0.00 60.37 59.16 1sj0 h HIS 476 Cb 0.31 -0.23 -0.01 0.00 1.06 0.00 0.00 27.41 28.53 1sj0 h HIS 476 CO 0.02 0.68 -0.21 0.00 0.86 0.00 0.00 177.93 179.28 1sj0 h ARG 477 N 0.73 0.67 -0.30 2.45 3.08 -0.93 -0.75 114.38 119.33 1sj0 h ARG 477 Ca 0.16 -0.26 -0.10 0.00 0.07 0.00 0.00 59.98 59.85 1sj0 h ARG 477 Cb 0.31 -0.04 -0.01 0.00 0.08 0.00 0.00 29.97 30.31 1sj0 h ARG 477 CO 0.00 0.84 -0.23 0.28 -1.07 0.00 0.00 179.97 179.78 1sj0 h VAL 478 N 0.60 1.27 -0.06 2.04 2.07 -0.44 -2.46 116.25 119.26 1sj0 h VAL 478 Ca 0.09 -1.28 0.01 0.00 0.82 0.00 0.00 66.70 66.33 1sj0 h VAL 478 Cb 0.69 1.29 -0.01 0.00 -1.52 0.00 0.00 31.29 31.74 1sj0 h VAL 478 CO 0.05 0.42 0.02 -0.07 0.02 0.00 0.00 177.57 178.00 1sj0 h LEU 479 N 0.52 0.02 -1.21 2.57 3.38 -0.19 -0.93 115.31 119.47 1sj0 h LEU 479 Ca 0.08 0.01 0.18 0.00 0.09 0.00 0.00 57.88 58.23 1sj0 h LEU 479 Cb 0.68 0.01 -0.09 0.00 0.09 0.00 0.00 40.66 41.35 1sj0 h LEU 479 CO 0.05 0.02 0.61 0.44 0.09 0.00 0.00 178.44 179.65 1sj0 h ASP 480 N 0.05 0.67 -0.36 -0.43 3.32 -1.08 0.39 116.42 118.99 1sj0 h ASP 480 Ca 0.02 0.06 -0.16 0.00 0.02 0.00 0.00 57.03 56.98 1sj0 h ASP 480 Cb 0.01 -0.06 -0.01 0.00 0.22 0.00 0.00 39.33 39.50 1sj0 h ASP 480 CO -0.03 0.28 -0.41 0.50 -1.72 0.00 0.00 179.24 177.86 1sj0 h LYS 481 N 0.68 0.92 0.00 3.56 1.63 -0.87 -0.19 116.57 122.29 1sj0 h LYS 481 Ca 0.52 -0.50 -0.04 0.00 -0.85 0.00 0.00 60.65 59.78 1sj0 h LYS 481 Cb 0.90 0.02 -0.01 0.00 -0.60 0.00 0.00 32.23 32.55 1sj0 h LYS 481 CO -0.28 1.15 -0.18 0.82 -3.45 0.00 0.00 179.45 177.52 1sj0 h ILE 482 N 0.75 0.53 -0.18 2.00 2.04 0.17 -1.19 117.51 121.63 1sj0 h ILE 482 Ca 0.06 -0.86 -0.10 0.00 1.00 0.00 0.00 64.86 64.95 1sj0 h ILE 482 Cb 1.00 1.58 -0.00 0.00 -0.74 0.00 0.00 36.82 38.67 1sj0 h ILE 482 CO 0.10 0.17 -0.29 0.74 0.00 0.00 0.00 178.15 178.87 1sj0 h THR 483 N 0.00 1.34 -0.90 -0.27 2.02 -0.20 -1.03 112.91 113.87 1sj0 h THR 483 Ca -0.00 -1.52 0.13 0.00 0.77 0.00 0.00 66.41 65.79 1sj0 h THR 483 Cb 0.57 1.88 -0.07 0.00 -1.74 0.00 0.00 68.15 68.79 1sj0 h THR 483 CO 0.02 0.46 0.58 0.44 0.37 0.00 0.00 175.52 177.39 1sj0 h ASP 484 N 0.17 0.72 -0.28 4.18 3.32 -0.53 -1.24 116.42 122.76 1sj0 h ASP 484 Ca 0.01 0.04 -0.14 0.00 0.02 0.00 0.00 57.03 56.96 1sj0 h ASP 484 Cb 0.87 -0.11 -0.00 0.00 0.22 0.00 0.00 39.33 40.32 1sj0 h ASP 484 CO 0.07 0.38 -0.39 0.74 -1.72 0.00 0.00 179.24 178.31 1sj0 h THR 485 N 0.77 1.30 -0.49 0.35 2.02 -1.00 0.42 112.91 116.27 1sj0 h THR 485 Ca 0.45 -1.58 -0.02 0.00 0.77 0.00 0.00 66.41 66.02 1sj0 h THR 485 Cb 0.62 1.65 -0.02 0.00 -1.74 0.00 0.00 68.15 68.66 1sj0 h THR 485 CO -0.21 0.51 0.21 -0.07 0.37 0.00 0.00 175.52 176.33 1sj0 h LEU 486 N 0.50 0.66 -0.62 2.58 3.38 -0.58 0.24 115.31 121.46 1sj0 h LEU 486 Ca 0.03 -0.15 -0.06 0.00 0.09 0.00 0.00 57.88 57.79 1sj0 h LEU 486 Cb 0.98 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 41.54 1sj0 h LEU 486 CO 0.09 0.63 0.16 0.40 0.09 0.00 0.00 178.44 179.81 1sj0 h ILE 487 N 0.64 1.25 0.01 1.22 1.08 -1.14 0.90 117.51 121.48 1sj0 h ILE 487 Ca 0.16 -0.90 0.01 0.00 -0.39 0.00 0.00 64.86 63.75 1sj0 h ILE 487 Cb 0.17 0.65 -0.02 0.00 -3.07 0.00 0.00 36.82 34.55 1sj0 h ILE 487 CO -0.02 0.34 -0.09 -0.74 -0.69 0.00 0.00 178.15 176.95 1sj0 h HIS 488 N 0.90 -0.22 -0.89 1.37 2.76 -0.61 0.17 115.15 118.63 1sj0 h HIS 488 Ca 0.20 0.01 0.08 0.00 -2.20 0.00 0.00 60.37 58.46 1sj0 h HIS 488 Cb 0.34 0.10 -0.06 0.00 1.55 0.00 0.00 27.41 29.34 1sj0 h HIS 488 CO 0.02 -0.14 0.57 -0.07 -1.30 0.00 0.00 177.93 177.02 1sj0 h LEU 489 N -0.16 0.83 -0.31 0.26 3.38 -0.20 -0.97 115.31 118.14 1sj0 h LEU 489 Ca 0.03 0.02 -0.18 0.00 0.09 0.00 0.00 57.88 57.83 1sj0 h LEU 489 Cb 0.20 -0.16 -0.00 0.00 0.09 0.00 0.00 40.66 40.79 1sj0 h LEU 489 CO -0.09 0.50 -0.53 0.24 0.09 0.00 0.00 178.44 178.66 1sj0 h MET 490 N 0.92 0.89 -0.11 1.13 2.86 0.37 -2.89 114.93 118.10 1sj0 h MET 490 Ca 0.40 -0.55 -0.00 0.00 -2.06 0.00 0.00 59.70 57.49 1sj0 h MET 490 Cb 0.33 0.06 -0.01 0.00 0.06 0.00 0.00 31.60 32.05 1sj0 h MET 490 CO -0.16 1.19 0.07 0.00 1.06 0.00 0.00 176.91 179.07 1sj0 h ALA 491 N 0.70 0.14 -0.16 6.32 0.00 -0.25 -2.14 119.26 123.87 1sj0 h ALA 491 Ca 0.02 -0.03 0.05 0.00 0.00 0.00 0.00 54.91 54.95 1sj0 h ALA 491 Cb 1.14 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.88 1sj0 h ALA 491 CO 0.12 -0.35 0.14 0.87 0.00 0.00 0.00 179.25 180.03 1sj0 h LYS 492 N 0.11 0.00 -0.13 0.00 1.57 -1.17 0.17 116.57 117.12 1sj0 h LYS 492 Ca 0.04 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.82 1sj0 h LYS 492 Cb 0.03 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.34 1sj0 h LYS 492 CO -0.01 0.00 0.00 0.00 -0.57 0.00 0.00 179.45 178.87 1sj0 n ALA 493 N -2.46 2.53 -1.38 3.86 0.00 -0.82 -4.90 120.51 117.33 1sj0 n ALA 493 Ca 0.01 -0.36 0.00 0.00 0.00 0.00 0.00 53.44 53.09 1sj0 n ALA 493 Cb 0.26 -1.12 0.00 0.00 0.00 0.00 0.00 19.45 18.59 1sj0 n ALA 493 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1sj0 n GLY 494 N 0.95 0.38 3.75 0.00 0.00 0.60 -5.04 105.19 105.83 1sj0 n GLY 494 Ca 0.13 -1.01 -0.40 0.00 0.00 0.00 0.00 46.02 44.73 1sj0 n GLY 494 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1sj0 s LEU 495 N 0.00 4.60 0.77 0.99 1.43 -1.10 -5.03 118.68 120.35 1sj0 s LEU 495 Ca 0.00 2.03 -0.14 0.00 -1.03 0.00 0.00 54.13 54.99 1sj0 s LEU 495 Cb 0.00 -3.61 0.06 0.00 0.03 0.00 0.00 46.19 42.67 1sj0 s LEU 495 CO 0.00 0.04 1.22 0.42 0.23 0.00 0.00 176.35 178.26 1sj0 s THR 496 N -1.03 2.05 0.31 5.49 -4.23 -1.26 -4.67 115.64 112.30 1sj0 s THR 496 Ca 0.43 0.02 0.05 0.00 -1.18 0.00 0.00 61.69 61.01 1sj0 s THR 496 Cb -0.28 -2.55 0.36 0.00 1.34 0.00 0.00 72.50 71.37 1sj0 s THR 496 CO 0.34 -0.01 1.61 0.25 -0.54 0.00 0.00 174.62 176.27 1sj0 h LEU 497 N -0.61 -0.14 -0.40 4.79 5.85 -1.99 0.06 115.31 122.87 1sj0 h LEU 497 Ca -0.47 0.24 -0.08 0.00 0.84 0.00 0.00 57.88 58.40 1sj0 h LEU 497 Cb 1.30 0.35 -0.01 0.00 0.37 0.00 0.00 40.66 42.67 1sj0 h LEU 497 CO 0.48 -0.28 -0.07 -0.61 -0.34 0.00 0.00 178.44 177.62 1sj0 h GLN 498 N 0.10 0.76 0.00 1.25 4.15 -2.01 -2.74 115.11 116.62 1sj0 h GLN 498 Ca 0.62 -0.28 -0.06 0.00 0.77 0.00 0.00 58.65 59.70 1sj0 h GLN 498 Cb 1.34 -0.05 -0.01 0.00 0.21 0.00 0.00 27.48 28.97 1sj0 h GLN 498 CO -0.78 0.88 -0.28 1.96 -1.93 0.00 0.00 178.83 178.69 1sj0 h GLN 499 N 0.58 0.00 0.37 1.69 4.20 -1.39 -2.22 115.11 118.34 1sj0 h GLN 499 Ca 0.11 0.00 -0.02 0.00 0.06 0.00 0.00 58.65 58.80 1sj0 h GLN 499 Cb 0.59 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.37 1sj0 h GLN 499 CO 0.04 0.28 -0.18 1.96 -0.67 0.00 0.00 178.83 180.26 1sj0 h GLN 500 N 0.00 -0.48 -0.94 1.46 4.20 -0.86 0.28 115.11 118.77 1sj0 h GLN 500 Ca -0.00 0.03 0.07 0.00 0.06 0.00 0.00 58.65 58.81 1sj0 h GLN 500 Cb 0.66 0.11 -0.06 0.00 0.30 0.00 0.00 27.48 28.48 1sj0 h GLN 500 CO 0.04 -0.32 0.61 1.12 -0.67 0.00 0.00 178.83 179.61 1sj0 h HIS 501 N -0.54 1.10 -0.22 2.96 2.07 -1.51 0.25 115.15 119.25 1sj0 h HIS 501 Ca -0.05 0.03 0.02 0.00 -2.85 0.00 0.00 60.37 57.52 1sj0 h HIS 501 Cb 0.38 -0.36 -0.02 0.00 2.57 0.00 0.00 27.41 29.98 1sj0 h HIS 501 CO 0.12 0.56 0.07 1.96 -3.07 0.00 0.00 177.93 177.58 1sj0 h GLN 502 N 1.07 0.17 -0.16 5.12 4.20 -1.34 -1.87 115.11 122.30 1sj0 h GLN 502 Ca 0.41 -0.01 -0.16 0.00 0.06 0.00 0.00 58.65 58.95 1sj0 h GLN 502 Cb 0.21 -0.04 -0.01 0.00 0.30 0.00 0.00 27.48 27.95 1sj0 h GLN 502 CO -0.16 0.11 -0.58 -0.09 -0.67 0.00 0.00 178.83 177.44 1sj0 h ARG 503 N 0.18 0.50 -0.37 1.46 2.43 0.11 -1.38 114.38 117.31 1sj0 h ARG 503 Ca 0.10 -0.33 0.06 0.00 -0.81 0.00 0.00 59.98 59.00 1sj0 h ARG 503 Cb 0.06 0.04 -0.06 0.00 -0.42 0.00 0.00 29.97 29.60 1sj0 h ARG 503 CO -0.10 0.94 0.03 1.25 -1.51 0.00 0.00 179.97 180.58 1sj0 h LEU 504 N 0.38 -0.10 -0.31 3.80 5.85 -0.41 -1.38 115.31 123.15 1sj0 h LEU 504 Ca 0.00 0.08 -0.01 0.00 0.84 0.00 0.00 57.88 58.79 1sj0 h LEU 504 Cb 1.12 0.13 -0.01 0.00 0.37 0.00 0.00 40.66 42.27 1sj0 h LEU 504 CO 0.11 -0.01 0.15 0.00 -0.34 0.00 0.00 178.44 178.34 1sj0 h ALA 505 N 1.31 0.40 -0.77 1.25 0.00 -1.05 -1.19 119.26 119.20 1sj0 h ALA 505 Ca 0.18 -0.09 0.02 0.00 0.00 0.00 0.00 54.91 55.02 1sj0 h ALA 505 Cb 0.24 -0.12 -0.04 0.00 0.00 0.00 0.00 17.79 17.86 1sj0 h ALA 505 CO -0.28 -0.05 0.51 1.96 0.00 0.00 0.00 179.25 181.40 1sj0 h GLN 506 N 0.37 0.96 -0.16 0.00 4.20 -1.06 0.54 115.11 119.96 1sj0 h GLN 506 Ca 0.11 -0.06 -0.05 0.00 0.06 0.00 0.00 58.65 58.71 1sj0 h GLN 506 Cb 0.11 -0.22 -0.00 0.00 0.30 0.00 0.00 27.48 27.67 1sj0 h GLN 506 CO -0.01 0.64 -0.10 -0.07 -0.67 0.00 0.00 178.83 178.62 1sj0 h LEU 507 N 0.99 0.36 -1.24 1.46 3.38 -0.87 -2.79 115.31 116.61 1sj0 h LEU 507 Ca 0.30 -0.43 -0.08 0.00 0.09 0.00 0.00 57.88 57.76 1sj0 h LEU 507 Cb -0.03 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 40.61 1sj0 h LEU 507 CO -0.08 0.71 -0.36 -0.07 0.09 0.00 0.00 178.44 178.73 1sj0 h LEU 508 N 0.01 0.00 -0.69 1.67 3.38 -1.00 -1.83 115.31 116.85 1sj0 h LEU 508 Ca 0.03 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.95 1sj0 h LEU 508 Cb 0.59 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.33 1sj0 h LEU 508 CO 0.03 0.36 -0.26 -0.07 0.09 0.00 0.00 178.44 178.59 1sj0 h LEU 509 N 0.00 0.00 -1.18 1.67 3.38 -0.85 -2.60 115.31 115.73 1sj0 h LEU 509 Ca -0.00 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.93 1sj0 h LEU 509 Cb 0.70 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.43 1sj0 h LEU 509 CO 0.05 0.26 0.13 0.40 0.09 0.00 0.00 178.44 179.37 1sj0 h ILE 510 N 0.00 1.20 -0.03 1.22 2.04 -1.05 -2.07 117.51 118.82 1sj0 h ILE 510 Ca -0.00 -0.70 0.01 0.00 1.00 0.00 0.00 64.86 65.16 1sj0 h ILE 510 Cb 0.94 0.71 -0.00 0.00 -0.74 0.00 0.00 36.82 37.73 1sj0 h ILE 510 CO 0.03 0.26 0.04 -0.07 0.00 0.00 0.00 178.15 178.41 1sj0 h LEU 511 N 0.68 0.00 -0.48 1.44 3.38 -1.35 -0.32 115.31 118.67 1sj0 h LEU 511 Ca 0.16 0.00 -0.17 0.00 0.09 0.00 0.00 57.88 57.96 1sj0 h LEU 511 Cb 0.24 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.97 1sj0 h LEU 511 CO -0.00 0.00 -0.75 -1.28 0.09 0.00 0.00 178.44 176.50 1sj0 h SER 512 N 0.00 0.19 0.32 -0.43 0.87 -1.45 -2.09 113.55 110.95 1sj0 h SER 512 Ca 0.01 -0.13 -0.12 0.00 -1.23 0.00 0.00 61.79 60.33 1sj0 h SER 512 Cb 0.09 -0.06 -0.01 0.00 -0.44 0.00 0.00 62.40 61.98 1sj0 h SER 512 CO -0.00 0.87 -0.47 0.45 -0.53 0.00 0.00 176.83 177.14 1sj0 h HIS 513 N 0.10 0.23 -0.07 2.24 3.86 -1.11 -2.64 115.15 117.76 1sj0 h HIS 513 Ca -0.02 -0.07 -0.20 0.00 -1.16 0.00 0.00 60.37 58.92 1sj0 h HIS 513 Cb 1.32 -0.05 -0.00 0.00 1.06 0.00 0.00 27.41 29.74 1sj0 h HIS 513 CO 0.02 0.63 -0.78 0.82 0.86 0.00 0.00 177.93 179.48 1sj0 h ILE 514 N 0.15 1.37 -0.92 2.45 2.04 -1.36 -0.48 117.51 120.76 1sj0 h ILE 514 Ca 0.01 -2.19 -0.01 0.00 1.00 0.00 0.00 64.86 63.67 1sj0 h ILE 514 Cb 0.90 2.16 -0.04 0.00 -0.74 0.00 0.00 36.82 39.10 1sj0 h ILE 514 CO 0.07 0.66 0.53 -0.09 0.00 0.00 0.00 178.15 179.32 1sj0 h ARG 515 N 0.29 1.26 -0.15 2.37 9.65 -1.35 -0.65 114.38 125.81 1sj0 h ARG 515 Ca -0.04 -0.13 -0.01 0.00 -1.10 0.00 0.00 59.98 58.70 1sj0 h ARG 515 Cb 1.37 -0.26 -0.01 0.00 -1.39 0.00 0.00 29.97 29.69 1sj0 h ARG 515 CO 0.14 0.90 0.06 1.25 2.80 0.00 0.00 179.97 185.12 1sj0 h HIS 516 N 1.28 0.22 -0.66 2.20 2.76 -1.02 -0.77 115.15 119.16 1sj0 h HIS 516 Ca 0.33 -0.01 -0.07 0.00 -2.20 0.00 0.00 60.37 58.41 1sj0 h HIS 516 Cb -0.02 -0.07 -0.03 0.00 1.55 0.00 0.00 27.41 28.85 1sj0 h HIS 516 CO 0.01 0.28 0.14 0.52 -1.30 0.00 0.00 177.93 177.58 1sj0 h MET 517 N 0.10 1.06 -0.71 5.26 2.86 -1.00 -1.32 114.93 121.18 1sj0 h MET 517 Ca 0.05 -0.26 0.00 0.00 -2.06 0.00 0.00 59.70 57.44 1sj0 h MET 517 Cb 0.15 -0.14 -0.03 0.00 0.06 0.00 0.00 31.60 31.64 1sj0 h MET 517 CO -0.01 0.95 0.46 1.03 1.06 0.00 0.00 176.91 180.40 1sj0 h SER 518 N 1.00 0.83 -0.33 1.22 0.87 -0.82 0.35 113.55 116.66 1sj0 h SER 518 Ca 0.21 -0.03 -0.05 0.00 -1.23 0.00 0.00 61.79 60.68 1sj0 h SER 518 Cb 0.38 -0.21 -0.01 0.00 -0.44 0.00 0.00 62.40 62.12 1sj0 h SER 518 CO 0.01 0.61 0.00 0.78 -0.53 0.00 0.00 176.83 177.70 1sj0 h ASN 519 N 0.96 0.58 -0.53 6.23 2.35 -0.75 0.22 115.58 124.64 1sj0 h ASN 519 Ca 0.26 -0.30 0.04 0.00 -0.55 0.00 0.00 56.30 55.74 1sj0 h ASN 519 Cb -0.09 -0.15 -0.04 0.00 0.05 0.00 0.00 38.32 38.09 1sj0 h ASN 519 CO -0.05 0.74 0.29 0.11 -1.65 0.00 0.00 177.43 176.87 1sj0 h LYS 520 N 0.39 0.55 -0.67 0.81 1.79 -1.20 -1.59 116.57 116.66 1sj0 h LYS 520 Ca 0.10 -0.03 -0.04 0.00 -2.18 0.00 0.00 60.65 58.50 1sj0 h LYS 520 Cb 0.44 -0.13 -0.03 0.00 -1.58 0.00 0.00 32.23 30.94 1sj0 h LYS 520 CO 0.02 0.37 0.27 0.78 -1.08 0.00 0.00 179.45 179.81 1sj0 h GLY 521 N 0.57 1.05 1.31 3.86 0.00 0.64 -0.77 103.07 109.73 1sj0 h GLY 521 Ca 0.23 -0.54 -0.15 0.00 0.00 0.00 0.00 47.33 46.86 1sj0 h GLY 521 CO -0.13 0.51 -0.44 -0.33 0.00 0.00 0.00 176.54 176.15 1sj0 h MET 522 N 0.96 0.75 -0.09 4.80 2.86 -0.33 0.11 114.93 123.98 1sj0 h MET 522 Ca 0.23 -0.41 0.03 0.00 -2.06 0.00 0.00 59.70 57.49 1sj0 h MET 522 Cb 0.17 0.02 -0.04 0.00 0.06 0.00 0.00 31.60 31.82 1sj0 h MET 522 CO -0.02 1.03 -0.11 0.93 1.06 0.00 0.00 176.91 179.80 1sj0 h GLU 523 N 0.60 -0.14 -0.35 1.72 5.08 -0.36 0.36 114.58 121.49 1sj0 h GLU 523 Ca 0.04 0.01 -0.04 0.00 -1.00 0.00 0.00 59.36 58.37 1sj0 h GLU 523 Cb 1.00 0.03 -0.01 0.00 0.50 0.00 0.00 28.75 30.27 1sj0 h GLU 523 CO 0.09 -0.09 0.06 1.25 -1.00 0.00 0.00 179.01 179.33 1sj0 h HIS 524 N -0.15 0.60 -0.55 4.33 2.76 -1.02 -2.72 115.15 118.41 1sj0 h HIS 524 Ca 0.07 -0.08 0.01 0.00 -2.20 0.00 0.00 60.37 58.18 1sj0 h HIS 524 Cb 0.25 -0.17 -0.03 0.00 1.55 0.00 0.00 27.41 29.01 1sj0 h HIS 524 CO -0.22 0.62 0.35 -0.07 -1.30 0.00 0.00 177.93 177.32 1sj0 h LEU 525 N 0.41 0.59 -8.00 0.26 3.38 -0.46 -3.29 115.31 108.20 1sj0 h LEU 525 Ca 0.11 -0.01 -0.40 0.00 0.09 0.00 0.00 57.88 57.67 1sj0 h LEU 525 Cb 0.34 -0.14 -0.05 0.00 0.09 0.00 0.00 40.66 40.90 1sj0 h LEU 525 CO 0.01 0.43 1.24 -0.31 0.09 0.00 0.00 178.44 179.89 1sj0 s TYR 526 N -6.15 2.11 0.00 1.13 4.12 0.12 -2.21 117.35 116.48 1sj0 s TYR 526 Ca -0.13 0.05 0.00 0.00 0.02 0.00 0.00 57.07 57.01 1sj0 s TYR 526 Cb 0.13 -4.18 0.00 0.00 -1.52 0.00 0.00 41.96 36.39 1sj0 s TYR 526 CO 0.75 -1.44 0.00 -1.13 0.02 0.00 0.00 175.55 173.75 1sj0 n SER 527 N 12.96 0.00 -1.22 2.29 3.41 -1.24 -4.89 113.62 124.94 1sj0 n SER 527 Ca 0.44 0.00 -0.01 0.00 -0.26 0.00 0.00 58.87 59.04 1sj0 n SER 527 Cb 0.47 0.00 -0.00 0.00 -0.26 0.00 0.00 64.21 64.42 1sj0 n SER 527 CO 0.00 0.00 0.00 0.23 -0.16 0.00 0.00 175.04 175.11 1sj0 n MET 528 N 0.00 0.11 0.02 4.33 2.81 -0.94 -5.08 117.12 118.36 1sj0 n MET 528 Ca 0.00 -0.29 -0.21 0.00 -1.81 0.00 0.00 57.70 55.39 1sj0 n MET 528 Cb 0.00 0.32 -0.14 0.00 -0.71 0.00 0.00 33.22 32.69 1sj0 n MET 528 CO 0.00 0.00 0.00 1.57 1.51 0.00 0.00 175.97 179.05 1sj0 h LYS 529 N 0.00 0.25 0.00 0.03 -0.00 -1.97 -3.52 116.57 111.37 1sj0 h LYS 529 Ca -0.03 -0.43 0.00 0.00 -0.00 0.00 0.00 60.65 60.18 1sj0 h LYS 529 Cb 0.14 0.16 0.00 0.00 -0.00 0.00 0.00 32.23 32.53 1sj0 h LYS 529 CO 0.05 1.21 0.00 0.00 -0.00 0.00 0.00 179.45 180.70 1sj0 n VAL 533 N 0.00 0.00 -1.57 0.00 0.24 -1.26 -5.05 118.33 110.69 1sj0 n VAL 533 Ca 0.00 0.00 -0.48 0.00 -2.04 0.00 0.00 64.34 61.82 1sj0 n VAL 533 Cb 0.00 0.00 -0.04 0.00 -1.47 0.00 0.00 33.84 32.33 1sj0 n VAL 533 CO 0.00 0.00 0.00 0.52 -2.14 0.00 0.00 176.83 175.21 1sj0 n VAL 534 N -0.43 1.18 -1.58 3.34 0.31 -1.26 -4.91 118.33 114.98 1sj0 n VAL 534 Ca 0.00 -0.29 -0.37 0.00 -0.01 0.00 0.00 64.34 63.66 1sj0 n VAL 534 Cb 0.00 -0.82 0.06 0.00 -0.91 0.00 0.00 33.84 32.17 1sj0 n VAL 534 CO 0.00 0.00 0.00 -2.65 -1.32 0.00 0.00 176.83 172.86 1sj0 n PRO 535 N 1.49 0.81 0.25 5.55 -0.02 -1.26 -4.86 135.00 136.95 1sj0 n PRO 535 Ca 0.14 0.32 0.08 0.00 -2.02 0.00 0.00 63.50 62.02 1sj0 n PRO 535 Cb 0.26 -2.18 0.61 0.00 -0.02 0.00 0.00 33.50 32.18 1sj0 n PRO 535 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 1sj0 h LEU 536 N 0.32 0.00 0.67 2.45 5.85 -1.99 -2.63 115.31 119.98 1sj0 h LEU 536 Ca -0.48 0.00 -0.03 0.00 0.84 0.00 0.00 57.88 58.21 1sj0 h LEU 536 Cb 1.36 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 42.39 1sj0 h LEU 536 CO 0.50 0.11 -0.40 0.22 -0.34 0.00 0.00 178.44 178.52 1sj0 h TYR 537 N 0.00 -1.07 -0.95 1.25 5.03 -1.94 -0.50 116.97 118.79 1sj0 h TYR 537 Ca -0.00 -0.01 0.13 0.00 2.58 0.00 0.00 58.73 61.42 1sj0 h TYR 537 Cb 0.21 0.38 -0.09 0.00 1.55 0.00 0.00 36.73 38.78 1sj0 h TYR 537 CO 0.00 -0.61 0.58 -0.44 -1.32 0.00 0.00 178.16 176.36 1sj0 h ASP 538 N -1.01 0.82 0.42 -2.11 3.32 -1.88 0.32 116.42 116.30 1sj0 h ASP 538 Ca -0.09 0.06 -0.16 0.00 0.02 0.00 0.00 57.03 56.86 1sj0 h ASP 538 Cb 0.81 -0.10 -0.01 0.00 0.22 0.00 0.00 39.33 40.25 1sj0 h ASP 538 CO 0.09 0.42 -0.69 0.25 -1.72 0.00 0.00 179.24 177.59 1sj0 h LEU 539 N 0.89 0.28 -0.33 1.55 5.85 -1.30 -1.34 115.31 120.91 1sj0 h LEU 539 Ca 0.49 -0.18 -0.10 0.00 0.84 0.00 0.00 57.88 58.93 1sj0 h LEU 539 Cb 0.53 -0.08 -0.01 0.00 0.37 0.00 0.00 40.66 41.47 1sj0 h LEU 539 CO -0.29 0.88 -0.17 -0.07 -0.34 0.00 0.00 178.44 178.45 1sj0 h LEU 540 N 0.16 0.73 0.23 2.25 3.38 0.22 -2.40 115.31 119.88 1sj0 h LEU 540 Ca -0.02 -0.41 0.01 0.00 0.09 0.00 0.00 57.88 57.55 1sj0 h LEU 540 Cb 1.23 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 41.75 1sj0 h LEU 540 CO 0.11 0.98 -0.37 0.25 0.09 0.00 0.00 178.44 179.49 1sj0 h LEU 541 N 0.47 -1.06 -0.75 1.67 5.85 -0.28 0.73 115.31 121.95 1sj0 h LEU 541 Ca 0.07 0.11 0.13 0.00 0.84 0.00 0.00 57.88 59.03 1sj0 h LEU 541 Cb 0.71 0.38 -0.09 0.00 0.37 0.00 0.00 40.66 42.03 1sj0 h LEU 541 CO 0.05 -0.48 0.31 -0.08 -0.34 0.00 0.00 178.44 177.90 1sj0 h GLU 542 N -0.67 0.46 -0.55 1.25 4.57 -1.25 0.33 114.58 118.72 1sj0 h GLU 542 Ca 0.00 -0.03 -0.10 0.00 -1.18 0.00 0.00 59.36 58.06 1sj0 h GLU 542 Cb 0.66 -0.10 -0.02 0.00 -0.16 0.00 0.00 28.75 29.12 1sj0 h GLU 542 CO -0.15 0.30 -0.05 0.52 -1.18 0.00 0.00 179.01 178.45 1sj0 h MET 543 N 0.47 0.99 0.11 1.92 2.86 -0.88 -3.33 114.93 117.06 1sj0 h MET 543 Ca 0.41 -0.33 -0.26 0.00 -2.06 0.00 0.00 59.70 57.46 1sj0 h MET 543 Cb 0.59 -0.08 -0.00 0.00 0.06 0.00 0.00 31.60 32.16 1sj0 h MET 543 CO -0.38 1.00 -1.31 -0.07 1.06 0.00 0.00 176.91 177.21 1sj0 h LEU 544 N 0.89 0.36 -6.47 1.22 3.38 -0.20 -3.39 115.31 111.11 1sj0 h LEU 544 Ca 0.15 -0.85 -0.63 0.00 0.09 0.00 0.00 57.88 56.64 1sj0 h LEU 544 Cb 0.59 -0.12 0.06 0.00 0.09 0.00 0.00 40.66 41.28 1sj0 h LEU 544 CO 0.04 1.57 2.20 -0.67 0.09 0.00 0.00 178.44 181.67 1sj0 n ASP 545 N -3.98 2.44 -4.95 -0.43 2.03 0.11 -4.90 116.55 106.87 1sj0 n ASP 545 Ca -0.24 -2.64 -0.24 0.00 0.52 0.00 0.00 54.79 52.19 1sj0 n ASP 545 Cb 0.87 -1.04 -0.02 0.00 -0.72 0.00 0.00 41.12 40.21 1sj0 n ASP 545 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1sj0 s ALA 546 N 5.14 3.85 1.00 -1.67 0.00 -1.26 -4.88 121.76 123.94 1sj0 s ALA 546 Ca 0.57 -1.00 -0.16 0.00 0.00 0.00 0.00 51.96 51.37 1sj0 s ALA 546 Cb 0.14 -1.91 0.21 0.00 0.00 0.00 0.00 23.12 21.56 1sj0 s ALA 546 CO 0.13 0.29 1.29 -3.38 0.00 0.00 0.00 175.76 174.09 1sj0 s HIS 547 N -1.99 1.45 -0.22 0.00 -3.43 -1.26 -4.99 115.29 104.86 1sj0 s HIS 547 Ca 0.37 0.35 0.11 0.00 -0.80 0.00 0.00 55.06 55.09 1sj0 s HIS 547 Cb -0.10 -4.01 0.23 0.00 -1.43 0.00 0.00 32.58 27.27 1sj0 s HIS 547 CO 0.30 -2.83 1.16 0.54 -2.00 0.00 0.00 174.74 171.91 1sj0 n ARG 548 N -3.92 2.39 0.08 -0.38 1.74 -1.26 -4.68 116.66 110.63 1sj0 n ARG 548 Ca 0.15 -2.16 0.04 0.00 -0.77 0.00 0.00 57.85 55.10 1sj0 n ARG 548 Cb 0.59 -1.34 0.44 0.00 -1.02 0.00 0.00 32.46 31.13 1sj0 n ARG 548 CO 0.00 0.00 0.00 -0.07 -1.52 0.00 0.00 177.63 176.04 1sj0 h LEU 549 N 0.60 0.33 -2.77 0.55 3.38 -2.06 -2.40 115.31 112.93 1sj0 h LEU 549 Ca 0.00 -0.03 -0.06 0.00 0.09 0.00 0.00 57.88 57.88 1sj0 h LEU 549 Cb 0.85 -0.08 -0.03 0.00 0.09 0.00 0.00 40.66 41.49 1sj0 h LEU 549 CO 0.04 0.31 0.08 1.41 0.09 0.00 0.00 178.44 180.37 1sj0 n HIS 550 N -4.42 0.33 1.16 1.13 8.25 -1.26 -5.35 115.22 115.05 1sj0 n HIS 550 Ca 0.01 -1.00 0.13 0.00 -0.26 0.00 0.00 57.72 56.60 1sj0 n HIS 550 Cb 0.13 -0.50 0.23 0.00 1.12 0.00 0.00 29.99 30.98 1sj0 n HIS 550 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98