#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2bj4 n SER 305 N 0.00 0.79 -4.81 1.20 7.64 -1.26 -4.38 113.62 112.79 2bj4 n SER 305 Ca 0.00 -0.68 -0.31 0.00 1.01 0.00 0.00 58.87 58.89 2bj4 n SER 305 Cb 0.00 0.81 0.06 0.00 -1.01 0.00 0.00 64.21 64.07 2bj4 n SER 305 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 2bj4 s LEU 306 N -3.15 3.07 0.17 -3.43 1.43 -1.26 -4.90 118.68 110.62 2bj4 s LEU 306 Ca 0.08 1.61 -0.14 0.00 -1.03 0.00 0.00 54.13 54.65 2bj4 s LEU 306 Cb 0.16 -4.45 0.07 0.00 0.03 0.00 0.00 46.19 42.00 2bj4 s LEU 306 CO 0.82 -1.55 1.81 0.00 0.23 0.00 0.00 176.35 177.65 2bj4 h ALA 307 N -0.80 0.70 0.00 4.21 0.00 -1.92 -1.92 119.26 119.53 2bj4 h ALA 307 Ca -0.44 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.40 2bj4 h ALA 307 Cb 1.22 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.78 2bj4 h ALA 307 CO 0.56 0.18 0.00 -0.07 0.00 0.00 0.00 179.25 179.93 2bj4 h LEU 308 N 0.74 0.00 0.00 0.00 -0.00 -1.94 -2.63 115.31 111.47 2bj4 h LEU 308 Ca 0.20 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 58.08 2bj4 h LEU 308 Cb -0.02 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 40.64 2bj4 h LEU 308 CO -0.04 0.00 -0.20 -1.20 -0.00 0.00 0.00 178.44 177.00 2bj4 n SER 309 N -2.89 0.66 -4.76 -0.43 7.64 -0.74 -4.90 113.62 108.20 2bj4 n SER 309 Ca 0.02 0.40 -0.40 0.00 1.01 0.00 0.00 58.87 59.90 2bj4 n SER 309 Cb 0.38 -0.44 -0.03 0.00 -1.01 0.00 0.00 64.21 63.11 2bj4 n SER 309 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 2bj4 s LEU 310 N -4.17 4.44 0.95 -3.43 1.43 -0.99 -4.90 118.68 112.00 2bj4 s LEU 310 Ca 0.10 2.40 -0.12 0.00 -1.03 0.00 0.00 54.13 55.47 2bj4 s LEU 310 Cb 0.14 -3.72 0.16 0.00 0.03 0.00 0.00 46.19 42.79 2bj4 s LEU 310 CO 0.63 -0.36 1.10 0.42 0.23 0.00 0.00 176.35 178.37 2bj4 s THR 311 N -1.22 2.24 0.13 5.49 -4.23 -1.26 -4.82 115.64 111.97 2bj4 s THR 311 Ca 0.48 0.08 -0.23 0.00 -1.18 0.00 0.00 61.69 60.84 2bj4 s THR 311 Cb -0.34 -2.64 -0.02 0.00 1.34 0.00 0.00 72.50 70.85 2bj4 s THR 311 CO 0.44 -0.10 1.65 0.00 -0.54 0.00 0.00 174.62 176.07 2bj4 h ALA 312 N -1.70 -0.14 -0.96 3.99 0.00 -1.93 -0.98 119.26 117.53 2bj4 h ALA 312 Ca -0.52 0.04 0.10 0.00 0.00 0.00 0.00 54.91 54.53 2bj4 h ALA 312 Cb 1.32 0.37 -0.07 0.00 0.00 0.00 0.00 17.79 19.41 2bj4 h ALA 312 CO 0.58 -0.65 0.62 -0.44 0.00 0.00 0.00 179.25 179.36 2bj4 h ASP 313 N -0.24 0.89 0.25 0.00 3.32 -1.94 -1.93 116.42 116.76 2bj4 h ASP 313 Ca 0.10 0.03 -0.20 0.00 0.02 0.00 0.00 57.03 56.98 2bj4 h ASP 313 Cb 0.38 -0.15 -0.00 0.00 0.22 0.00 0.00 39.33 39.78 2bj4 h ASP 313 CO -0.26 0.51 -0.80 1.56 -1.72 0.00 0.00 179.24 178.52 2bj4 h GLN 314 N 0.98 0.44 -0.01 3.56 4.20 -1.78 -1.76 115.11 120.74 2bj4 h GLN 314 Ca 0.46 -0.40 -0.00 0.00 0.06 0.00 0.00 58.65 58.77 2bj4 h GLN 314 Cb 0.42 0.09 -0.00 0.00 0.30 0.00 0.00 27.48 28.29 2bj4 h GLN 314 CO -0.22 1.04 0.00 1.98 -0.67 0.00 0.00 178.83 180.97 2bj4 h MET 315 N 0.29 0.02 -0.36 1.46 4.05 -0.95 -0.72 114.93 118.72 2bj4 h MET 315 Ca -0.05 -0.00 0.06 0.00 -0.28 0.00 0.00 59.70 59.43 2bj4 h MET 315 Cb 1.40 -0.00 -0.05 0.00 -0.80 0.00 0.00 31.60 32.15 2bj4 h MET 315 CO 0.14 0.21 0.05 0.28 0.23 0.00 0.00 176.91 177.82 2bj4 h VAL 316 N -0.17 0.79 -0.34 -5.77 2.07 -1.29 -0.66 116.25 110.87 2bj4 h VAL 316 Ca 0.00 -0.05 0.00 0.00 0.82 0.00 0.00 66.70 67.47 2bj4 h VAL 316 Cb 0.20 0.61 -0.02 0.00 -1.52 0.00 0.00 31.29 30.56 2bj4 h VAL 316 CO -0.00 0.03 0.22 -1.28 0.02 0.00 0.00 177.57 176.56 2bj4 h SER 317 N 0.16 0.39 -0.51 0.57 0.87 -1.24 0.20 113.55 113.99 2bj4 h SER 317 Ca 0.17 -0.02 0.00 0.00 -1.23 0.00 0.00 61.79 60.72 2bj4 h SER 317 Cb 0.22 -0.10 -0.03 0.00 -0.44 0.00 0.00 62.40 62.05 2bj4 h SER 317 CO -0.25 0.29 0.34 0.00 -0.53 0.00 0.00 176.83 176.68 2bj4 h ALA 318 N 1.11 0.64 -0.67 6.23 0.00 -0.79 -1.77 119.26 124.02 2bj4 h ALA 318 Ca 0.12 -0.04 -0.07 0.00 0.00 0.00 0.00 54.91 54.93 2bj4 h ALA 318 Cb -0.04 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 17.52 2bj4 h ALA 318 CO -0.03 0.09 0.16 -0.07 0.00 0.00 0.00 179.25 179.40 2bj4 h LEU 319 N 0.69 1.01 -0.69 0.00 3.38 -0.63 -2.67 115.31 116.40 2bj4 h LEU 319 Ca 0.19 -0.24 -0.00 0.00 0.09 0.00 0.00 57.88 57.92 2bj4 h LEU 319 Cb -0.08 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 40.37 2bj4 h LEU 319 CO -0.04 0.99 0.42 -0.07 0.09 0.00 0.00 178.44 179.83 2bj4 h LEU 320 N 0.99 0.83 -1.62 1.67 3.38 -0.80 -2.09 115.31 117.68 2bj4 h LEU 320 Ca 0.21 -0.06 0.09 0.00 0.09 0.00 0.00 57.88 58.21 2bj4 h LEU 320 Cb 0.37 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 40.88 2bj4 h LEU 320 CO 0.00 0.64 0.39 0.44 0.09 0.00 0.00 178.44 180.00 2bj4 h ASP 321 N 0.94 0.39 0.06 -0.43 3.32 -1.02 -2.51 116.42 117.18 2bj4 h ASP 321 Ca 0.25 0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.31 2bj4 h ASP 321 Cb -0.04 -0.08 0.00 0.00 0.22 0.00 0.00 39.33 39.44 2bj4 h ASP 321 CO -0.05 0.24 -0.02 0.00 -1.72 0.00 0.00 179.24 177.69 2bj4 n ALA 322 N -2.51 2.66 -1.75 3.45 0.00 -0.79 -4.94 120.51 116.63 2bj4 n ALA 322 Ca 0.09 -0.31 -0.42 0.00 0.00 0.00 0.00 53.44 52.80 2bj4 n ALA 322 Cb 0.33 -1.34 -0.02 0.00 0.00 0.00 0.00 19.45 18.42 2bj4 n ALA 322 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 2bj4 s GLU 323 N -2.09 4.12 0.74 0.00 0.41 -0.95 -4.74 118.70 116.19 2bj4 s GLU 323 Ca 0.40 2.60 -0.11 0.00 -0.41 0.00 0.00 54.97 57.45 2bj4 s GLU 323 Cb 0.21 -3.04 0.04 0.00 -1.78 0.00 0.00 34.13 29.56 2bj4 s GLU 323 CO 0.38 -0.68 1.08 -1.25 -0.49 0.00 0.00 175.26 174.30 2bj4 s PRO 324 N -0.01 2.56 0.55 0.39 0.04 -1.26 -5.02 135.00 132.25 2bj4 s PRO 324 Ca 0.67 0.69 -0.19 0.00 0.04 0.00 0.00 61.00 62.20 2bj4 s PRO 324 Cb -0.49 -1.97 -0.06 0.00 0.04 0.00 0.00 34.50 32.03 2bj4 s PRO 324 CO 0.43 -1.30 1.13 -1.25 0.04 0.00 0.00 177.00 176.06 2bj4 s PRO 325 N -5.17 3.32 -0.26 0.56 0.04 -1.26 -5.01 135.00 127.22 2bj4 s PRO 325 Ca 0.59 1.62 -0.18 0.00 0.04 0.00 0.00 61.00 63.07 2bj4 s PRO 325 Cb -0.13 -2.00 -0.03 0.00 0.04 0.00 0.00 34.50 32.38 2bj4 s PRO 325 CO 0.54 -0.88 0.50 0.42 0.04 0.00 0.00 177.00 177.62 2bj4 s ILE 326 N -1.78 5.08 0.36 0.56 1.01 -1.26 -5.06 121.20 120.11 2bj4 s ILE 326 Ca 0.73 0.85 -0.13 0.00 0.00 0.00 0.00 60.65 62.10 2bj4 s ILE 326 Cb -0.24 -3.82 -0.08 0.00 0.01 0.00 0.00 42.46 38.34 2bj4 s ILE 326 CO 0.28 0.10 0.75 -0.76 0.00 0.00 0.00 174.94 175.30 2bj4 s LEU 327 N 2.24 3.96 0.19 2.97 1.43 -1.26 -4.99 118.68 123.22 2bj4 s LEU 327 Ca 0.21 1.20 -0.15 0.00 -1.03 0.00 0.00 54.13 54.36 2bj4 s LEU 327 Cb -0.16 -4.04 -0.07 0.00 0.03 0.00 0.00 46.19 41.95 2bj4 s LEU 327 CO 0.09 -0.29 0.60 -0.31 0.23 0.00 0.00 176.35 176.68 2bj4 s TYR 328 N -2.15 3.57 0.12 0.29 1.51 -1.26 -4.30 117.35 115.13 2bj4 s TYR 328 Ca 0.53 1.12 -0.31 0.00 -1.01 0.00 0.00 57.07 57.40 2bj4 s TYR 328 Cb -0.10 -2.43 -0.08 0.00 -0.11 0.00 0.00 41.96 39.25 2bj4 s TYR 328 CO 0.24 0.36 1.33 0.45 -1.11 0.00 0.00 175.55 176.82 2bj4 s SER 329 N -1.83 6.90 0.25 2.29 0.15 -1.26 -4.98 113.70 115.21 2bj4 s SER 329 Ca 0.42 2.27 -0.30 0.00 0.70 0.00 0.00 55.95 59.04 2bj4 s SER 329 Cb -0.14 -2.59 -0.09 0.00 -1.71 0.00 0.00 66.02 61.48 2bj4 s SER 329 CO 0.20 -0.59 1.26 -1.61 1.20 0.00 0.00 173.24 173.70 2bj4 s GLU 330 N 0.86 4.44 -0.01 5.44 2.02 -1.26 -4.97 118.70 125.21 2bj4 s GLU 330 Ca 0.62 2.03 0.01 0.00 0.02 0.00 0.00 54.97 57.64 2bj4 s GLU 330 Cb -0.35 -3.17 0.01 0.00 0.10 0.00 0.00 34.13 30.72 2bj4 s GLU 330 CO 0.31 -0.13 -0.01 -0.47 0.02 0.00 0.00 175.26 174.98 2bj4 s TYR 331 N -0.45 0.22 -0.25 1.61 5.04 -1.26 -5.07 117.35 117.18 2bj4 s TYR 331 Ca 0.52 -0.01 0.01 0.00 -2.44 0.00 0.00 57.07 55.15 2bj4 s TYR 331 Cb -0.36 -0.23 0.06 0.00 0.35 0.00 0.00 41.96 41.79 2bj4 s TYR 331 CO 0.42 -0.05 -0.04 0.34 -1.34 0.00 0.00 175.55 174.88 2bj4 s ASP 332 N 0.40 3.97 0.50 4.32 -1.08 -1.26 -4.99 116.67 118.52 2bj4 s ASP 332 Ca -0.04 -1.29 0.31 0.00 -0.52 0.00 0.00 52.55 51.02 2bj4 s ASP 332 Cb -0.06 -1.22 1.70 0.00 -1.46 0.00 0.00 42.92 41.88 2bj4 s ASP 332 CO -0.01 -0.25 1.95 1.55 0.52 0.00 0.00 175.17 178.93 2bj4 h PRO 333 N 7.92 0.00 -0.02 4.34 0.13 -2.02 -0.97 132.00 141.37 2bj4 h PRO 333 Ca -0.17 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.96 2bj4 h PRO 333 Cb 1.06 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.19 2bj4 h PRO 333 CO 0.43 0.00 0.00 0.25 -0.23 0.00 0.00 178.00 178.45 2bj4 n THR 334 N -2.64 0.00 -3.13 1.56 -2.24 -1.26 -4.39 114.28 102.19 2bj4 n THR 334 Ca -0.02 -0.26 -0.24 0.00 -2.27 0.00 0.00 64.05 61.26 2bj4 n THR 334 Cb 0.10 0.54 -0.05 0.00 -2.10 0.00 0.00 70.33 68.83 2bj4 n THR 334 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 2bj4 n ARG 335 N 0.23 2.12 0.21 -0.78 1.74 -0.37 -4.94 116.66 114.88 2bj4 n ARG 335 Ca 0.19 -4.17 0.05 0.00 -0.77 0.00 0.00 57.85 53.14 2bj4 n ARG 335 Cb 0.37 -1.95 0.47 0.00 -1.02 0.00 0.00 32.46 30.33 2bj4 n ARG 335 CO 0.00 0.00 0.00 -1.00 -1.52 0.00 0.00 177.63 175.11 2bj4 h PRO 336 N 3.30 0.00 0.00 5.56 0.13 -1.77 -3.24 132.00 135.99 2bj4 h PRO 336 Ca 0.12 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.25 2bj4 h PRO 336 Cb 0.72 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.85 2bj4 h PRO 336 CO 0.68 0.24 -0.78 1.19 -0.23 0.00 0.00 178.00 179.10 2bj4 n PHE 337 N -4.19 0.11 -0.34 1.56 3.72 -1.26 -3.76 117.46 113.30 2bj4 n PHE 337 Ca -0.02 0.03 0.07 0.00 -0.05 0.00 0.00 57.45 57.48 2bj4 n PHE 337 Cb 0.30 -0.28 0.19 0.00 -0.94 0.00 0.00 39.48 38.74 2bj4 n PHE 337 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 176.76 175.58 2bj4 n SER 338 N -1.68 3.22 -4.64 4.37 3.41 -1.22 -4.96 113.62 112.12 2bj4 n SER 338 Ca 0.04 -2.19 -0.59 0.00 -0.26 0.00 0.00 58.87 55.86 2bj4 n SER 338 Cb 0.37 -0.31 -0.08 0.00 -0.26 0.00 0.00 64.21 63.93 2bj4 n SER 338 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 2bj4 n GLU 339 N 0.43 0.56 -1.19 4.33 1.02 -1.24 -4.87 120.64 119.68 2bj4 n GLU 339 Ca 0.14 0.20 -0.34 0.00 -0.02 0.00 0.00 57.16 57.14 2bj4 n GLU 339 Cb 0.54 -1.78 0.11 0.00 -0.02 0.00 0.00 31.44 30.28 2bj4 n GLU 339 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2bj4 n ALA 340 N 3.39 -0.48 -0.49 0.62 0.00 -1.26 -4.99 120.51 117.30 2bj4 n ALA 340 Ca 0.24 -0.29 -0.29 0.00 0.00 0.00 0.00 53.44 53.09 2bj4 n ALA 340 Cb 0.08 -2.12 0.27 0.00 0.00 0.00 0.00 19.45 17.68 2bj4 n ALA 340 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 2bj4 s SER 341 N -1.87 -0.03 0.18 0.00 1.04 -1.26 -4.61 113.70 107.16 2bj4 s SER 341 Ca 0.71 1.16 -0.14 0.00 0.48 0.00 0.00 55.95 58.16 2bj4 s SER 341 Cb -0.31 -1.75 0.17 0.00 0.10 0.00 0.00 66.02 64.23 2bj4 s SER 341 CO 0.53 -4.77 1.69 -0.03 0.98 0.00 0.00 173.24 171.63 2bj4 h MET 342 N -3.01 0.11 -0.55 4.02 4.05 -1.99 -0.01 114.93 117.54 2bj4 h MET 342 Ca -0.53 -0.01 -0.05 0.00 -0.28 0.00 0.00 59.70 58.83 2bj4 h MET 342 Cb 1.34 -0.02 -0.03 0.00 -0.80 0.00 0.00 31.60 32.09 2bj4 h MET 342 CO 0.40 0.07 0.12 1.98 0.23 0.00 0.00 176.91 179.72 2bj4 h MET 343 N 0.11 0.85 -0.46 0.39 1.85 -1.99 -1.97 114.93 113.71 2bj4 h MET 343 Ca 0.24 -0.18 -0.10 0.00 -0.61 0.00 0.00 59.70 59.05 2bj4 h MET 343 Cb 0.36 -0.12 -0.02 0.00 0.43 0.00 0.00 31.60 32.24 2bj4 h MET 343 CO -0.40 0.77 -0.13 0.78 -0.40 0.00 0.00 176.91 177.53 2bj4 h GLY 344 N 0.98 0.92 0.98 1.39 0.00 -1.71 -0.20 103.07 105.43 2bj4 h GLY 344 Ca 0.18 -0.72 -0.02 0.00 0.00 0.00 0.00 47.33 46.77 2bj4 h GLY 344 CO 0.00 0.66 0.24 1.41 0.00 0.00 0.00 176.54 178.85 2bj4 h LEU 345 N 0.76 0.68 -0.35 3.11 3.38 -0.61 -0.87 115.31 121.41 2bj4 h LEU 345 Ca 0.12 -0.14 -0.18 0.00 0.09 0.00 0.00 57.88 57.77 2bj4 h LEU 345 Cb 0.64 -0.18 -0.00 0.00 0.09 0.00 0.00 40.66 41.21 2bj4 h LEU 345 CO 0.04 0.63 -0.54 -0.07 0.09 0.00 0.00 178.44 178.59 2bj4 h LEU 346 N 0.69 0.91 -0.09 1.67 3.38 -1.23 -2.36 115.31 118.28 2bj4 h LEU 346 Ca 0.18 -0.48 -0.01 0.00 0.09 0.00 0.00 57.88 57.66 2bj4 h LEU 346 Cb 0.13 -0.26 -0.00 0.00 0.09 0.00 0.00 40.66 40.62 2bj4 h LEU 346 CO -0.02 1.27 0.04 0.74 0.09 0.00 0.00 178.44 180.55 2bj4 h THR 347 N 0.63 1.14 -0.72 0.22 2.02 -0.93 0.24 112.91 115.51 2bj4 h THR 347 Ca 0.02 -0.42 0.01 0.00 0.77 0.00 0.00 66.41 66.79 2bj4 h THR 347 Cb 1.14 1.25 -0.04 0.00 -1.74 0.00 0.00 68.15 68.76 2bj4 h THR 347 CO 0.12 0.12 0.47 0.78 0.37 0.00 0.00 175.52 177.38 2bj4 h ASN 348 N -0.00 0.81 0.12 4.18 -0.26 -1.18 0.50 115.58 119.74 2bj4 h ASN 348 Ca 0.03 -0.02 -0.01 0.00 -0.56 0.00 0.00 56.30 55.75 2bj4 h ASN 348 Cb 0.16 -0.20 0.00 0.00 -1.06 0.00 0.00 38.32 37.23 2bj4 h ASN 348 CO -0.00 0.58 -0.06 0.25 -1.06 0.00 0.00 177.43 177.14 2bj4 h LEU 349 N 0.96 -0.13 -0.59 1.61 5.85 -1.31 -2.35 115.31 119.34 2bj4 h LEU 349 Ca 0.27 -0.07 0.00 0.00 0.84 0.00 0.00 57.88 58.92 2bj4 h LEU 349 Cb -0.08 0.03 -0.03 0.00 0.37 0.00 0.00 40.66 40.95 2bj4 h LEU 349 CO -0.07 -0.01 0.38 0.00 -0.34 0.00 0.00 178.44 178.40 2bj4 h ALA 350 N 0.63 0.75 -0.79 1.25 0.00 -0.66 0.50 119.26 120.94 2bj4 h ALA 350 Ca -0.02 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.84 2bj4 h ALA 350 Cb 0.20 -0.24 -0.04 0.00 0.00 0.00 0.00 17.79 17.71 2bj4 h ALA 350 CO 0.03 0.20 0.47 -0.44 0.00 0.00 0.00 179.25 179.51 2bj4 h ASP 351 N 0.80 0.96 -0.50 0.00 3.32 -0.86 0.13 116.42 120.27 2bj4 h ASP 351 Ca 0.22 -0.06 -0.13 0.00 0.02 0.00 0.00 57.03 57.08 2bj4 h ASP 351 Cb -0.07 -0.24 -0.01 0.00 0.22 0.00 0.00 39.33 39.22 2bj4 h ASP 351 CO -0.04 0.74 -0.20 0.03 -1.72 0.00 0.00 179.24 178.05 2bj4 h ARG 352 N 1.10 1.01 -0.68 3.56 3.08 -0.88 -2.93 114.38 118.64 2bj4 h ARG 352 Ca 0.28 -0.42 -0.02 0.00 0.07 0.00 0.00 59.98 59.89 2bj4 h ARG 352 Cb -0.03 -0.04 -0.03 0.00 0.08 0.00 0.00 29.97 29.95 2bj4 h ARG 352 CO -0.05 1.11 0.34 0.93 -1.07 0.00 0.00 179.97 181.23 2bj4 h GLU 353 N 0.87 0.96 -0.41 0.04 5.08 -0.15 -2.95 114.58 118.03 2bj4 h GLU 353 Ca 0.12 -0.12 -0.04 0.00 -1.00 0.00 0.00 59.36 58.31 2bj4 h GLU 353 Cb 0.78 -0.18 -0.02 0.00 0.50 0.00 0.00 28.75 29.83 2bj4 h GLU 353 CO 0.06 0.73 0.07 -0.07 -1.00 0.00 0.00 179.01 178.81 2bj4 h LEU 354 N 0.96 0.57 -0.25 1.33 3.38 -0.59 0.59 115.31 121.30 2bj4 h LEU 354 Ca 0.24 -0.09 0.00 0.00 0.09 0.00 0.00 57.88 58.12 2bj4 h LEU 354 Cb 0.07 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.66 2bj4 h LEU 354 CO -0.03 0.59 0.16 0.58 0.09 0.00 0.00 178.44 179.83 2bj4 h VAL 355 N 0.60 1.05 -0.23 1.22 2.07 -1.41 -2.12 116.25 117.43 2bj4 h VAL 355 Ca 0.13 -0.11 -0.06 0.00 0.82 0.00 0.00 66.70 67.48 2bj4 h VAL 355 Cb 0.27 0.70 -0.01 0.00 -1.52 0.00 0.00 31.29 30.73 2bj4 h VAL 355 CO 0.00 0.06 -0.11 0.45 0.02 0.00 0.00 177.57 177.99 2bj4 h HIS 356 N 0.32 0.40 -0.80 1.57 3.86 -1.40 -3.24 115.15 115.87 2bj4 h HIS 356 Ca 0.09 -0.05 -0.04 0.00 -1.16 0.00 0.00 60.37 59.21 2bj4 h HIS 356 Cb -0.03 -0.11 -0.04 0.00 1.06 0.00 0.00 27.41 28.29 2bj4 h HIS 356 CO -0.06 0.49 0.33 1.98 0.86 0.00 0.00 177.93 181.53 2bj4 h MET 357 N 0.35 1.19 -0.66 2.45 -1.53 -0.25 -1.01 114.93 115.48 2bj4 h MET 357 Ca 0.07 -0.21 0.01 0.00 -3.44 0.00 0.00 59.70 56.13 2bj4 h MET 357 Cb 0.42 -0.20 -0.03 0.00 -0.55 0.00 0.00 31.60 31.24 2bj4 h MET 357 CO 0.02 0.95 0.43 0.82 0.14 0.00 0.00 176.91 179.28 2bj4 h ILE 358 N 1.16 1.17 -0.29 1.77 2.04 -1.46 -0.23 117.51 121.68 2bj4 h ILE 358 Ca 0.27 -0.31 -0.17 0.00 1.00 0.00 0.00 64.86 65.65 2bj4 h ILE 358 Cb 0.20 0.20 -0.00 0.00 -0.74 0.00 0.00 36.82 36.48 2bj4 h ILE 358 CO -0.02 0.16 -0.51 0.78 0.00 0.00 0.00 178.15 178.56 2bj4 h ASN 359 N 0.89 0.89 0.11 1.72 2.35 -1.55 -2.67 115.58 117.31 2bj4 h ASN 359 Ca 0.24 -0.46 0.02 0.00 -0.55 0.00 0.00 56.30 55.55 2bj4 h ASN 359 Cb -0.10 -0.25 -0.03 0.00 0.05 0.00 0.00 38.32 37.98 2bj4 h ASN 359 CO -0.05 1.23 -0.25 -0.25 -1.65 0.00 0.00 177.43 176.46 2bj4 h TRP 360 N 0.63 -0.66 -0.83 1.19 7.01 -0.97 -2.88 115.95 119.44 2bj4 h TRP 360 Ca 0.02 0.01 0.12 0.00 2.11 0.00 0.00 58.89 61.16 2bj4 h TRP 360 Cb 1.09 0.28 -0.08 0.00 -2.10 0.00 0.00 29.16 28.35 2bj4 h TRP 360 CO 0.06 -0.35 0.44 0.00 -2.79 0.00 0.00 178.44 175.81 2bj4 h ALA 361 N 0.30 1.21 0.00 2.65 0.00 -0.96 -0.74 119.26 121.72 2bj4 h ALA 361 Ca 0.03 0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.00 2bj4 h ALA 361 Cb 0.48 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.20 2bj4 h ALA 361 CO -0.15 -0.01 0.00 1.63 0.00 0.00 0.00 179.25 180.72 2bj4 n LYS 362 N -4.82 0.31 0.00 0.00 5.02 -1.02 -1.70 118.16 115.95 2bj4 n LYS 362 Ca 0.15 0.07 0.10 0.00 -2.02 0.00 0.00 58.31 56.62 2bj4 n LYS 362 Cb 0.36 -1.50 -0.04 0.00 -0.02 0.00 0.00 35.03 33.82 2bj4 n LYS 362 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 2bj4 n ARG 363 N -1.30 0.20 -2.19 1.97 1.74 -0.31 -4.64 116.66 112.13 2bj4 n ARG 363 Ca 0.11 -0.16 -0.43 0.00 -0.77 0.00 0.00 57.85 56.60 2bj4 n ARG 363 Cb 0.19 -1.50 -0.02 0.00 -1.02 0.00 0.00 32.46 30.11 2bj4 n ARG 363 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 2bj4 s VAL 364 N -2.91 3.83 0.11 1.55 1.01 -0.69 -4.92 120.40 118.37 2bj4 s VAL 364 Ca 0.10 0.95 -0.34 0.00 0.00 0.00 0.00 61.98 62.70 2bj4 s VAL 364 Cb 0.17 -3.79 -0.13 0.00 0.00 0.00 0.00 36.38 32.62 2bj4 s VAL 364 CO 0.80 -0.28 1.67 -2.65 0.00 0.00 0.00 175.10 174.64 2bj4 n PRO 365 N 7.42 2.26 0.00 2.72 -0.02 -1.26 -1.16 135.00 144.96 2bj4 n PRO 365 Ca 0.17 0.82 0.00 0.00 -2.02 0.00 0.00 63.50 62.47 2bj4 n PRO 365 Cb 0.45 -2.62 0.00 0.00 -0.02 0.00 0.00 33.50 31.31 2bj4 n PRO 365 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2bj4 n GLY 366 N 3.73 2.53 0.27 -1.23 0.00 -1.26 -4.90 105.19 104.33 2bj4 n GLY 366 Ca 0.18 -0.48 -0.10 0.00 0.00 0.00 0.00 46.02 45.63 2bj4 n GLY 366 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 2bj4 h PHE 367 N 0.00 1.03 -0.00 1.61 3.57 -1.42 -2.18 116.94 119.55 2bj4 h PHE 367 Ca 0.00 -0.19 0.00 0.00 3.53 0.00 0.00 57.97 61.31 2bj4 h PHE 367 Cb 0.00 -0.27 0.00 0.00 2.79 0.00 0.00 35.95 38.47 2bj4 h PHE 367 CO 0.00 0.95 -0.04 1.55 -2.23 0.00 0.00 178.31 178.54 2bj4 n VAL 368 N -4.27 0.00 0.35 1.41 3.14 -1.26 -2.08 118.33 115.62 2bj4 n VAL 368 Ca 0.01 -0.02 0.14 0.00 -2.96 0.00 0.00 64.34 61.51 2bj4 n VAL 368 Cb 0.34 -0.35 0.57 0.00 -1.06 0.00 0.00 33.84 33.34 2bj4 n VAL 368 CO 0.00 0.00 0.00 0.44 -6.46 0.00 0.00 176.83 170.81 2bj4 h ASP 369 N 0.20 0.00 -4.28 6.55 3.32 -1.76 -3.45 116.42 117.01 2bj4 h ASP 369 Ca 0.00 0.00 -0.50 0.00 0.02 0.00 0.00 57.03 56.55 2bj4 h ASP 369 Cb 0.29 0.00 0.04 0.00 0.22 0.00 0.00 39.33 39.89 2bj4 h ASP 369 CO 0.00 0.00 0.39 -0.76 -1.72 0.00 0.00 179.24 177.15 2bj4 s LEU 370 N -5.09 3.38 0.80 1.55 1.43 -0.88 -5.03 118.68 114.83 2bj4 s LEU 370 Ca 0.03 1.46 -0.13 0.00 -1.03 0.00 0.00 54.13 54.45 2bj4 s LEU 370 Cb 0.09 -4.46 0.08 0.00 0.03 0.00 0.00 46.19 41.93 2bj4 s LEU 370 CO 0.45 -0.76 1.20 0.42 0.23 0.00 0.00 176.35 177.89 2bj4 s THR 371 N -2.97 2.11 0.22 5.49 -4.23 -1.26 -4.78 115.64 110.21 2bj4 s THR 371 Ca 0.56 0.05 -0.08 0.00 -1.18 0.00 0.00 61.69 61.04 2bj4 s THR 371 Cb -0.11 -2.47 0.16 0.00 1.34 0.00 0.00 72.50 71.43 2bj4 s THR 371 CO 0.46 -0.04 1.75 -0.07 -0.54 0.00 0.00 174.62 176.19 2bj4 h LEU 372 N -0.85 0.31 -0.71 4.79 -0.00 -1.95 -1.29 115.31 115.60 2bj4 h LEU 372 Ca -0.46 0.07 0.07 0.00 -0.00 0.00 0.00 57.88 57.56 2bj4 h LEU 372 Cb 1.29 0.03 -0.06 0.00 -0.00 0.00 0.00 40.66 41.93 2bj4 h LEU 372 CO 0.47 0.17 0.39 -0.74 -0.00 0.00 0.00 178.44 178.73 2bj4 h HIS 373 N 0.47 0.71 -0.33 1.13 2.76 -2.00 -1.01 115.15 116.90 2bj4 h HIS 373 Ca 0.33 0.03 -0.17 0.00 -2.20 0.00 0.00 60.37 58.36 2bj4 h HIS 373 Cb 0.39 -0.22 -0.00 0.00 1.55 0.00 0.00 27.41 29.13 2bj4 h HIS 373 CO -0.15 0.32 -0.45 -0.44 -1.30 0.00 0.00 177.93 175.91 2bj4 h ASP 374 N 0.70 0.92 -0.40 3.26 3.32 -1.75 -1.56 116.42 120.91 2bj4 h ASP 374 Ca 0.33 -0.45 0.02 0.00 0.02 0.00 0.00 57.03 56.96 2bj4 h ASP 374 Cb 0.25 -0.26 -0.03 0.00 0.22 0.00 0.00 39.33 39.51 2bj4 h ASP 374 CO -0.21 1.23 0.22 1.56 -1.72 0.00 0.00 179.24 180.31 2bj4 h GLN 375 N 0.68 0.43 -0.67 3.56 4.20 -0.94 -1.35 115.11 121.02 2bj4 h GLN 375 Ca 0.04 -0.03 -0.05 0.00 0.06 0.00 0.00 58.65 58.67 2bj4 h GLN 375 Cb 1.03 -0.10 -0.03 0.00 0.30 0.00 0.00 27.48 28.69 2bj4 h GLN 375 CO 0.10 0.28 0.21 0.28 -0.67 0.00 0.00 178.83 179.03 2bj4 h VAL 376 N 0.44 1.25 -0.06 -0.54 2.07 -1.03 -1.49 116.25 116.90 2bj4 h VAL 376 Ca 0.17 -0.87 0.02 0.00 0.82 0.00 0.00 66.70 66.83 2bj4 h VAL 376 Cb 0.04 0.55 -0.02 0.00 -1.52 0.00 0.00 31.29 30.34 2bj4 h VAL 376 CO -0.10 0.34 -0.05 -0.74 0.02 0.00 0.00 177.57 177.03 2bj4 h HIS 377 N 0.98 -0.13 -0.71 1.57 -0.00 -1.12 0.24 115.15 115.98 2bj4 h HIS 377 Ca 0.22 0.01 -0.03 0.00 -0.00 0.00 0.00 60.37 60.56 2bj4 h HIS 377 Cb 0.30 0.07 -0.03 0.00 -0.00 0.00 0.00 27.41 27.75 2bj4 h HIS 377 CO 0.02 -0.09 0.33 -0.07 -0.00 0.00 0.00 177.93 178.12 2bj4 h LEU 378 N -0.07 0.94 -0.35 0.26 3.38 -1.00 -1.63 115.31 116.84 2bj4 h LEU 378 Ca 0.04 -0.14 -0.02 0.00 0.09 0.00 0.00 57.88 57.85 2bj4 h LEU 378 Cb 0.13 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.62 2bj4 h LEU 378 CO -0.10 0.82 0.15 -0.07 0.09 0.00 0.00 178.44 179.33 2bj4 h LEU 379 N 1.00 0.48 -1.34 1.67 3.38 -1.00 -1.02 115.31 118.47 2bj4 h LEU 379 Ca 0.24 -0.15 -0.06 0.00 0.09 0.00 0.00 57.88 58.00 2bj4 h LEU 379 Cb 0.14 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 40.76 2bj4 h LEU 379 CO -0.03 0.50 -0.21 -0.08 0.09 0.00 0.00 178.44 178.71 2bj4 h GLU 380 N 0.42 0.18 -0.24 1.13 4.81 -0.23 -1.85 114.58 118.81 2bj4 h GLU 380 Ca 0.12 -0.05 -0.17 0.00 -0.13 0.00 0.00 59.36 59.13 2bj4 h GLU 380 Cb 0.16 -0.02 -0.00 0.00 0.63 0.00 0.00 28.75 29.52 2bj4 h GLU 380 CO -0.01 0.39 -0.54 0.00 -0.73 0.00 0.00 179.01 178.12 2bj4 n ALA 382 N -2.54 3.88 -0.33 0.00 0.00 -0.41 -4.70 120.51 116.42 2bj4 n ALA 382 Ca -0.04 -0.49 -0.03 0.00 0.00 0.00 0.00 53.44 52.88 2bj4 n ALA 382 Cb 0.61 -0.88 0.09 0.00 0.00 0.00 0.00 19.45 19.26 2bj4 n ALA 382 CO 0.00 0.00 0.00 0.11 0.00 0.00 0.00 177.50 177.61 2bj4 h TRP 383 N 0.00 1.12 -0.12 0.00 5.08 -1.52 -1.23 115.95 119.28 2bj4 h TRP 383 Ca 0.00 0.02 -0.17 0.00 1.08 0.00 0.00 58.89 59.82 2bj4 h TRP 383 Cb 0.64 -0.38 -0.01 0.00 -3.00 0.00 0.00 29.16 26.42 2bj4 h TRP 383 CO 0.00 0.71 -0.64 1.25 -1.28 0.00 0.00 178.44 178.47 2bj4 h LEU 384 N 1.20 0.53 -0.85 0.11 5.85 -1.87 -1.70 115.31 118.57 2bj4 h LEU 384 Ca 0.32 -0.31 0.02 0.00 0.84 0.00 0.00 57.88 58.75 2bj4 h LEU 384 Cb -0.13 -0.15 -0.05 0.00 0.37 0.00 0.00 40.66 40.70 2bj4 h LEU 384 CO -0.07 1.03 0.56 -0.33 -0.34 0.00 0.00 178.44 179.29 2bj4 h GLU 385 N 0.33 1.08 -0.43 1.25 5.08 -1.69 -0.65 114.58 119.55 2bj4 h GLU 385 Ca -0.01 -0.06 -0.12 0.00 -1.00 0.00 0.00 59.36 58.16 2bj4 h GLU 385 Cb 1.20 -0.24 -0.01 0.00 0.50 0.00 0.00 28.75 30.19 2bj4 h GLU 385 CO 0.11 0.71 -0.22 0.82 -1.00 0.00 0.00 179.01 179.44 2bj4 h ILE 386 N 1.11 1.27 -0.47 3.13 2.04 -1.12 -0.51 117.51 122.96 2bj4 h ILE 386 Ca 0.32 -1.37 -0.02 0.00 1.00 0.00 0.00 64.86 64.80 2bj4 h ILE 386 Cb -0.07 1.22 -0.02 0.00 -0.74 0.00 0.00 36.82 37.21 2bj4 h ILE 386 CO -0.09 0.46 0.22 -0.07 0.00 0.00 0.00 178.15 178.68 2bj4 h LEU 387 N 0.74 0.62 -0.33 1.44 3.38 -1.13 -2.11 115.31 117.93 2bj4 h LEU 387 Ca 0.10 -0.13 -0.03 0.00 0.09 0.00 0.00 57.88 57.91 2bj4 h LEU 387 Cb 0.79 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 41.36 2bj4 h LEU 387 CO 0.06 0.58 0.10 0.24 0.09 0.00 0.00 178.44 179.52 2bj4 h MET 388 N 0.62 0.52 -0.36 1.13 2.86 -0.99 -0.26 114.93 118.45 2bj4 h MET 388 Ca 0.16 -0.11 -0.13 0.00 -2.06 0.00 0.00 59.70 57.56 2bj4 h MET 388 Cb 0.13 -0.07 -0.01 0.00 0.06 0.00 0.00 31.60 31.70 2bj4 h MET 388 CO -0.02 0.55 -0.30 0.97 1.06 0.00 0.00 176.91 179.17 2bj4 h ILE 389 N 0.39 1.28 -0.67 -1.22 2.10 -1.07 -0.44 117.51 117.87 2bj4 h ILE 389 Ca 0.11 -1.45 0.03 0.00 1.08 0.00 0.00 64.86 64.63 2bj4 h ILE 389 Cb 0.25 1.33 -0.04 0.00 -1.09 0.00 0.00 36.82 37.26 2bj4 h ILE 389 CO -0.00 0.48 0.42 1.23 -1.08 0.00 0.00 178.15 179.19 2bj4 h GLY 390 N 0.94 0.97 0.97 8.18 0.00 -1.30 -1.13 103.07 111.71 2bj4 h GLY 390 Ca 0.07 -0.32 0.01 0.00 0.00 0.00 0.00 47.33 47.10 2bj4 h GLY 390 CO 0.07 0.26 0.28 -2.00 0.00 0.00 0.00 176.54 175.15 2bj4 h LEU 391 N 0.82 0.47 -0.50 3.11 5.85 -0.66 -2.73 115.31 121.67 2bj4 h LEU 391 Ca 0.27 -0.01 -0.01 0.00 0.84 0.00 0.00 57.88 58.97 2bj4 h LEU 391 Cb 0.03 -0.11 -0.02 0.00 0.37 0.00 0.00 40.66 40.92 2bj4 h LEU 391 CO -0.11 0.34 0.27 0.58 -0.34 0.00 0.00 178.44 179.18 2bj4 h VAL 392 N 0.56 1.17 -0.13 1.05 2.07 -0.73 -2.22 116.25 118.02 2bj4 h VAL 392 Ca 0.16 -0.43 0.05 0.00 0.82 0.00 0.00 66.70 67.29 2bj4 h VAL 392 Cb -0.05 0.55 -0.06 0.00 -1.52 0.00 0.00 31.29 30.22 2bj4 h VAL 392 CO -0.05 0.18 -0.26 -0.25 0.02 0.00 0.00 177.57 177.21 2bj4 h TRP 393 N 0.66 -0.71 0.00 1.57 2.91 -1.04 -1.81 115.95 117.54 2bj4 h TRP 393 Ca 0.17 0.03 0.00 0.00 1.13 0.00 0.00 58.89 60.23 2bj4 h TRP 393 Cb 0.05 0.33 0.00 0.00 -0.51 0.00 0.00 29.16 29.03 2bj4 h TRP 393 CO -0.02 -0.34 0.00 2.89 -1.03 0.00 0.00 178.44 179.94 2bj4 n ARG 394 N -5.38 0.00 0.00 2.65 1.85 -1.05 -2.70 116.66 112.03 2bj4 n ARG 394 Ca -0.03 0.15 0.11 0.00 -1.00 0.00 0.00 57.85 57.09 2bj4 n ARG 394 Cb 0.30 -1.50 0.02 0.00 -1.05 0.00 0.00 32.46 30.23 2bj4 n ARG 394 CO 0.00 0.00 0.00 0.43 -0.01 0.00 0.00 177.63 178.05 2bj4 n SER 395 N -1.50 0.78 -0.10 2.89 7.64 -0.74 -4.47 113.62 118.11 2bj4 n SER 395 Ca 0.05 -0.66 0.09 0.00 1.01 0.00 0.00 58.87 59.36 2bj4 n SER 395 Cb 0.23 0.73 0.44 0.00 -1.01 0.00 0.00 64.21 64.60 2bj4 n SER 395 CO 0.00 0.00 0.00 0.24 -3.01 0.00 0.00 175.04 172.27 2bj4 h MET 396 N 0.00 0.53 0.00 1.43 2.86 -1.20 0.18 114.93 118.73 2bj4 h MET 396 Ca 0.00 -0.03 0.00 0.00 -2.06 0.00 0.00 59.70 57.61 2bj4 h MET 396 Cb 0.52 -0.12 0.00 0.00 0.06 0.00 0.00 31.60 32.06 2bj4 h MET 396 CO 0.00 0.35 0.00 0.39 1.06 0.00 0.00 176.91 178.71 2bj4 n GLU 397 N -4.48 1.00 -3.53 1.72 -0.58 -1.26 -4.25 120.64 109.26 2bj4 n GLU 397 Ca 0.09 0.00 -0.27 0.00 -0.42 0.00 0.00 57.16 56.56 2bj4 n GLU 397 Cb 0.27 -1.24 -0.10 0.00 -0.57 0.00 0.00 31.44 29.80 2bj4 n GLU 397 CO 0.00 0.00 0.00 0.72 -0.48 0.00 0.00 177.13 177.37 2bj4 n HIS 398 N -0.74 1.50 -1.70 -0.32 8.25 0.62 -5.11 115.22 117.71 2bj4 n HIS 398 Ca 0.12 -3.86 -0.44 0.00 -0.26 0.00 0.00 57.72 53.28 2bj4 n HIS 398 Cb 0.05 -0.31 -0.03 0.00 1.12 0.00 0.00 29.99 30.83 2bj4 n HIS 398 CO 0.00 0.00 0.00 -2.30 0.64 0.00 0.00 176.34 174.68 2bj4 n PRO 399 N 1.88 2.48 -0.36 -0.41 -0.02 -1.26 -1.60 135.00 135.71 2bj4 n PRO 399 Ca 0.25 0.89 0.00 0.00 -2.02 0.00 0.00 63.50 62.62 2bj4 n PRO 399 Cb 0.43 -2.68 0.00 0.00 -0.02 0.00 0.00 33.50 31.24 2bj4 n PRO 399 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2bj4 n GLY 400 N 3.19 1.39 3.35 -1.23 0.00 -1.26 -5.01 105.19 105.61 2bj4 n GLY 400 Ca 0.14 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.98 2bj4 n GLY 400 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2bj4 s LYS 401 N -0.33 1.36 -0.16 1.61 1.02 -0.63 -3.39 119.74 119.23 2bj4 s LYS 401 Ca 0.00 -1.67 0.01 0.00 0.02 0.00 0.00 55.97 54.32 2bj4 s LYS 401 Cb 0.00 -0.77 0.02 0.00 -0.52 0.00 0.00 37.83 36.56 2bj4 s LYS 401 CO 0.00 -0.03 -0.15 -0.51 -0.92 0.00 0.00 175.35 173.74 2bj4 s LEU 402 N -3.33 1.85 -1.16 3.17 1.43 0.66 -4.83 118.68 116.46 2bj4 s LEU 402 Ca 0.27 -0.57 -0.14 0.00 -1.03 0.00 0.00 54.13 52.65 2bj4 s LEU 402 Cb 0.05 -1.24 0.17 0.00 0.03 0.00 0.00 46.19 45.20 2bj4 s LEU 402 CO 0.08 -0.06 1.38 -0.22 0.23 0.00 0.00 176.35 177.77 2bj4 s LEU 403 N 1.44 5.07 0.26 1.79 2.96 -1.26 -0.36 118.68 128.58 2bj4 s LEU 403 Ca 0.04 -2.86 -0.04 0.00 -0.22 0.00 0.00 54.13 51.05 2bj4 s LEU 403 Cb -0.13 -2.40 0.31 0.00 0.50 0.00 0.00 46.19 44.47 2bj4 s LEU 403 CO -0.11 -0.79 1.86 -0.26 -1.32 0.00 0.00 176.35 175.74 2bj4 h PHE 404 N 7.40 1.09 -3.41 5.38 -1.00 -1.55 -3.44 116.94 121.40 2bj4 h PHE 404 Ca 0.29 -0.04 -0.05 0.00 2.81 0.00 0.00 57.97 60.98 2bj4 h PHE 404 Cb 0.90 -0.34 -0.12 0.00 3.61 0.00 0.00 35.95 40.00 2bj4 h PHE 404 CO 1.11 0.79 -0.06 0.00 -1.61 0.00 0.00 178.31 178.53 2bj4 s ALA 405 N -5.64 -0.84 0.47 2.45 0.00 -0.95 -4.90 121.76 112.35 2bj4 s ALA 405 Ca -0.12 -0.19 0.19 0.00 0.00 0.00 0.00 51.96 51.84 2bj4 s ALA 405 Cb 0.17 0.76 1.19 0.00 0.00 0.00 0.00 23.12 25.23 2bj4 s ALA 405 CO 0.82 -0.70 1.96 -1.35 0.00 0.00 0.00 175.76 176.49 2bj4 h PRO 406 N 2.33 0.24 -0.67 0.00 0.11 -1.86 -0.13 132.00 132.01 2bj4 h PRO 406 Ca -0.32 -0.01 -0.20 0.00 0.11 0.00 0.00 66.00 65.58 2bj4 h PRO 406 Cb 1.25 -0.05 -0.12 0.00 0.11 0.00 0.00 31.00 32.19 2bj4 h PRO 406 CO 0.44 0.16 0.22 0.27 -0.21 0.00 0.00 178.00 178.88 2bj4 n ASN 407 N -4.44 4.58 -2.96 -2.05 6.94 -1.26 -4.68 115.26 111.40 2bj4 n ASN 407 Ca 0.11 -3.25 -0.11 0.00 -0.02 0.00 0.00 54.58 51.31 2bj4 n ASN 407 Cb 0.53 -0.72 -0.02 0.00 -2.36 0.00 0.00 39.78 37.20 2bj4 n ASN 407 CO 0.00 0.00 0.00 -0.11 -1.03 0.00 0.00 177.26 176.12 2bj4 n LEU 408 N -0.27 -2.54 -4.43 -4.53 7.94 -0.06 -4.85 117.00 108.27 2bj4 n LEU 408 Ca 0.39 -3.38 -0.39 0.00 -1.11 0.00 0.00 56.01 51.52 2bj4 n LEU 408 Cb 1.32 0.70 -0.11 0.00 0.53 0.00 0.00 43.42 45.85 2bj4 n LEU 408 CO 0.40 1.92 -0.19 -0.22 -1.11 0.00 0.00 177.39 178.18 2bj4 s LEU 409 N 0.60 4.30 -0.04 -1.96 2.96 -1.25 -1.31 118.68 121.98 2bj4 s LEU 409 Ca 0.31 -0.65 0.03 0.00 -0.22 0.00 0.00 54.13 53.60 2bj4 s LEU 409 Cb 0.02 -2.01 -0.03 0.00 0.50 0.00 0.00 46.19 44.66 2bj4 s LEU 409 CO -0.10 -0.25 -0.11 -0.76 -1.32 0.00 0.00 176.35 173.81 2bj4 s LEU 410 N 1.60 2.93 0.52 -0.68 1.43 0.51 -4.93 118.68 120.07 2bj4 s LEU 410 Ca 0.04 -0.14 -0.01 0.00 -1.03 0.00 0.00 54.13 52.99 2bj4 s LEU 410 Cb -0.18 -1.63 0.01 0.00 0.03 0.00 0.00 46.19 44.43 2bj4 s LEU 410 CO 0.07 0.34 0.76 1.51 0.23 0.00 0.00 176.35 179.26 2bj4 s ASP 411 N -0.88 5.54 0.20 2.29 1.47 -1.26 -0.25 116.67 123.78 2bj4 s ASP 411 Ca 0.13 0.26 -0.16 0.00 1.18 0.00 0.00 52.55 53.95 2bj4 s ASP 411 Cb -0.11 -1.31 0.19 0.00 -0.34 0.00 0.00 42.92 41.35 2bj4 s ASP 411 CO 0.02 -0.96 1.61 -0.09 0.68 0.00 0.00 175.17 176.43 2bj4 h ARG 412 N 0.14 -0.08 0.00 2.11 2.43 -1.96 -1.47 114.38 115.56 2bj4 h ARG 412 Ca -0.45 0.01 -0.01 0.00 -0.81 0.00 0.00 59.98 58.72 2bj4 h ARG 412 Cb 1.27 0.02 -0.00 0.00 -0.42 0.00 0.00 29.97 30.84 2bj4 h ARG 412 CO 0.56 -0.05 -0.04 -0.91 -1.51 0.00 0.00 179.97 178.02 2bj4 h ASN 413 N -0.08 0.00 0.89 -3.80 4.21 -1.94 0.38 115.58 115.24 2bj4 h ASN 413 Ca 0.28 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.79 2bj4 h ASN 413 Cb 0.51 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.71 2bj4 h ASN 413 CO -0.66 0.04 0.00 1.56 -1.29 0.00 0.00 177.43 177.08 2bj4 h GLN 414 N 0.00 0.00 0.00 0.81 4.20 -1.65 -2.41 115.11 116.06 2bj4 h GLN 414 Ca -0.00 0.00 -0.03 0.00 0.06 0.00 0.00 58.65 58.68 2bj4 h GLN 414 Cb 0.21 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 27.98 2bj4 h GLN 414 CO 0.01 0.00 -0.13 0.78 -0.67 0.00 0.00 178.83 178.81 2bj4 h GLY 415 N 1.88 0.00 -6.17 3.46 0.00 -0.24 -3.41 103.07 98.60 2bj4 h GLY 415 Ca 0.00 0.00 -0.56 0.00 0.00 0.00 0.00 47.33 46.77 2bj4 h GLY 415 CO 0.00 0.00 2.38 0.28 0.00 0.00 0.00 176.54 179.20 2bj4 n LYS 416 N -4.02 1.66 0.00 4.80 5.02 -0.91 -3.46 118.16 121.25 2bj4 n LYS 416 Ca -0.02 -1.72 0.00 0.00 -2.02 0.00 0.00 58.31 54.55 2bj4 n LYS 416 Cb 0.22 -2.77 0.00 0.00 -0.02 0.00 0.00 35.03 32.46 2bj4 n LYS 416 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 2bj4 n VAL 418 N 5.46 0.00 -1.65 -0.18 0.31 -1.26 -4.99 118.33 116.01 2bj4 n VAL 418 Ca 0.47 0.00 -0.47 0.00 -0.01 0.00 0.00 64.34 64.34 2bj4 n VAL 418 Cb 0.32 0.00 -0.04 0.00 -0.91 0.00 0.00 33.84 33.21 2bj4 n VAL 418 CO 0.00 0.00 0.00 1.21 -1.32 0.00 0.00 176.83 176.72 2bj4 n GLU 419 N 0.00 1.94 0.00 5.55 4.07 -1.26 -1.36 120.64 129.58 2bj4 n GLU 419 Ca 0.00 0.70 0.00 0.00 -0.06 0.00 0.00 57.16 57.80 2bj4 n GLU 419 Cb 0.00 -2.42 0.00 0.00 -0.06 0.00 0.00 31.44 28.96 2bj4 n GLU 419 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 2bj4 n GLY 420 N 2.99 2.47 0.16 8.31 0.00 -1.26 -4.89 105.19 112.97 2bj4 n GLY 420 Ca 0.16 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.24 2bj4 n GLY 420 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 173.32 175.30 2bj4 h MET 421 N 2.31 0.00 -0.41 1.61 1.85 -1.41 -3.34 114.93 115.54 2bj4 h MET 421 Ca 0.00 0.00 -0.12 0.00 -0.61 0.00 0.00 59.70 58.97 2bj4 h MET 421 Cb 0.00 0.00 -0.01 0.00 0.43 0.00 0.00 31.60 32.02 2bj4 h MET 421 CO 0.00 0.31 -0.24 -0.24 -0.40 0.00 0.00 176.91 176.34 2bj4 h VAL 422 N 0.00 1.27 -0.71 -5.77 3.04 -1.73 -1.05 116.25 111.30 2bj4 h VAL 422 Ca -0.02 -1.37 0.15 0.00 -1.01 0.00 0.00 66.70 64.46 2bj4 h VAL 422 Cb 1.27 1.21 -0.11 0.00 -2.01 0.00 0.00 31.29 31.65 2bj4 h VAL 422 CO 0.04 0.46 0.14 -0.33 -1.01 0.00 0.00 177.57 176.87 2bj4 h GLU 423 N 0.72 0.23 -0.27 4.17 3.07 -1.93 0.19 114.58 120.76 2bj4 h GLU 423 Ca 0.09 -0.01 -0.10 0.00 -0.50 0.00 0.00 59.36 58.84 2bj4 h GLU 423 Cb 0.77 -0.05 -0.00 0.00 -0.84 0.00 0.00 28.75 28.63 2bj4 h GLU 423 CO 0.06 0.15 -0.24 0.82 -1.40 0.00 0.00 179.01 178.40 2bj4 h ILE 424 N 0.24 1.31 -0.72 3.13 2.04 -1.52 -2.06 117.51 119.93 2bj4 h ILE 424 Ca 0.40 -1.40 0.07 0.00 1.00 0.00 0.00 64.86 64.93 2bj4 h ILE 424 Cb 0.67 1.61 -0.06 0.00 -0.74 0.00 0.00 36.82 38.30 2bj4 h ILE 424 CO -0.52 0.44 0.39 -0.26 0.00 0.00 0.00 178.15 178.21 2bj4 h PHE 425 N 0.36 0.71 -0.51 1.37 -1.00 -0.50 -1.49 116.94 115.89 2bj4 h PHE 425 Ca 0.05 0.03 0.02 0.00 2.81 0.00 0.00 57.97 60.87 2bj4 h PHE 425 Cb 0.80 -0.21 -0.03 0.00 3.61 0.00 0.00 35.95 40.11 2bj4 h PHE 425 CO 0.07 0.31 0.31 -0.44 -1.61 0.00 0.00 178.31 176.95 2bj4 h ASP 426 N 0.70 0.50 -0.54 2.17 3.32 -0.48 -0.26 116.42 121.82 2bj4 h ASP 426 Ca 0.33 0.00 -0.07 0.00 0.02 0.00 0.00 57.03 57.31 2bj4 h ASP 426 Cb 0.27 -0.11 -0.02 0.00 0.22 0.00 0.00 39.33 39.69 2bj4 h ASP 426 CO -0.22 0.36 0.07 0.24 -1.72 0.00 0.00 179.24 177.97 2bj4 h MET 427 N 0.62 0.95 -0.60 3.56 2.86 -0.88 -1.40 114.93 120.02 2bj4 h MET 427 Ca 0.20 -0.24 -0.09 0.00 -2.06 0.00 0.00 59.70 57.51 2bj4 h MET 427 Cb 0.00 -0.12 -0.02 0.00 0.06 0.00 0.00 31.60 31.52 2bj4 h MET 427 CO -0.08 0.89 0.02 -0.07 1.06 0.00 0.00 176.91 178.73 2bj4 h LEU 428 N 0.89 1.01 -0.79 1.22 3.38 -0.72 -2.32 115.31 117.98 2bj4 h LEU 428 Ca 0.18 -0.27 -0.06 0.00 0.09 0.00 0.00 57.88 57.81 2bj4 h LEU 428 Cb 0.42 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 40.87 2bj4 h LEU 428 CO 0.01 1.05 0.20 -0.07 0.09 0.00 0.00 178.44 179.72 2bj4 h LEU 429 N 0.96 1.04 -1.43 1.67 3.38 -0.68 -0.94 115.31 119.31 2bj4 h LEU 429 Ca 0.18 -0.20 -0.05 0.00 0.09 0.00 0.00 57.88 57.89 2bj4 h LEU 429 Cb 0.52 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.99 2bj4 h LEU 429 CO 0.03 0.98 -0.18 0.00 0.09 0.00 0.00 178.44 179.35 2bj4 h ALA 430 N 1.15 1.53 -0.18 1.53 0.00 -1.04 -0.60 119.26 121.65 2bj4 h ALA 430 Ca 0.23 -0.22 -0.07 0.00 0.00 0.00 0.00 54.91 54.85 2bj4 h ALA 430 Cb 0.33 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.05 2bj4 h ALA 430 CO -0.00 0.34 -0.17 1.15 0.00 0.00 0.00 179.25 180.57 2bj4 h THR 431 N 0.14 1.34 -0.48 0.00 2.02 -0.85 -0.80 112.91 114.27 2bj4 h THR 431 Ca 0.03 -1.33 0.08 0.00 0.77 0.00 0.00 66.41 65.96 2bj4 h THR 431 Cb 0.41 1.81 -0.06 0.00 -1.74 0.00 0.00 68.15 68.57 2bj4 h THR 431 CO 0.03 0.40 0.11 0.28 0.37 0.00 0.00 175.52 176.70 2bj4 h SER 432 N 0.08 0.03 -0.62 4.18 0.02 -0.82 0.31 113.55 116.72 2bj4 h SER 432 Ca 0.03 0.08 -0.06 0.00 -0.84 0.00 0.00 61.79 61.00 2bj4 h SER 432 Cb 0.71 0.11 -0.03 0.00 0.14 0.00 0.00 62.40 63.33 2bj4 h SER 432 CO 0.04 0.05 0.17 -1.28 -1.14 0.00 0.00 176.83 174.67 2bj4 h SER 433 N 0.25 0.93 -0.11 3.07 0.87 -1.08 -1.56 113.55 115.92 2bj4 h SER 433 Ca 0.24 -0.22 -0.00 0.00 -1.23 0.00 0.00 61.79 60.57 2bj4 h SER 433 Cb 0.31 -0.24 -0.00 0.00 -0.44 0.00 0.00 62.40 62.02 2bj4 h SER 433 CO -0.30 0.91 0.05 -0.09 -0.53 0.00 0.00 176.83 176.87 2bj4 h ARG 434 N 0.90 0.16 -0.79 2.24 9.65 -0.58 -1.51 114.38 124.45 2bj4 h ARG 434 Ca 0.20 -0.02 0.03 0.00 -1.10 0.00 0.00 59.98 59.08 2bj4 h ARG 434 Cb 0.33 -0.03 -0.04 0.00 -1.39 0.00 0.00 29.97 28.84 2bj4 h ARG 434 CO -0.00 0.24 0.52 0.74 2.80 0.00 0.00 179.97 184.27 2bj4 h PHE 435 N 0.05 0.95 -0.39 2.20 0.04 -0.89 -1.75 116.94 117.15 2bj4 h PHE 435 Ca 0.04 0.02 -0.06 0.00 2.80 0.00 0.00 57.97 60.77 2bj4 h PHE 435 Cb 0.13 -0.32 -0.01 0.00 2.20 0.00 0.00 35.95 37.95 2bj4 h PHE 435 CO -0.03 0.57 0.02 0.00 -0.60 0.00 0.00 178.31 178.27 2bj4 h ARG 436 N 1.00 0.67 0.00 1.51 3.08 -1.13 -0.87 114.38 118.64 2bj4 h ARG 436 Ca 0.31 -0.21 -0.05 0.00 0.07 0.00 0.00 59.98 60.10 2bj4 h ARG 436 Cb -0.01 -0.07 -0.01 0.00 0.08 0.00 0.00 29.97 29.97 2bj4 h ARG 436 CO -0.08 0.76 -0.24 0.52 -1.07 0.00 0.00 179.97 179.85 2bj4 h MET 437 N 0.50 0.00 -0.00 0.04 2.86 -0.87 -1.60 114.93 115.87 2bj4 h MET 437 Ca 0.11 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.75 2bj4 h MET 437 Cb 0.44 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.10 2bj4 h MET 437 CO 0.02 0.24 -0.32 -1.33 1.06 0.00 0.00 176.91 176.57 2bj4 n MET 438 N -3.77 0.00 -3.72 1.72 2.81 -0.69 -4.96 117.12 108.51 2bj4 n MET 438 Ca -0.01 -0.00 -0.22 0.00 -1.81 0.00 0.00 57.70 55.66 2bj4 n MET 438 Cb 0.34 -1.50 0.03 0.00 -0.71 0.00 0.00 33.22 31.38 2bj4 n MET 438 CO 0.00 0.00 0.00 -1.71 1.51 0.00 0.00 175.97 175.77 2bj4 n ASN 439 N -1.50 -1.26 -4.66 7.83 4.05 -0.60 -4.87 115.26 114.25 2bj4 n ASN 439 Ca 0.06 -0.83 -0.46 0.00 0.45 0.00 0.00 54.58 53.80 2bj4 n ASN 439 Cb 0.34 -4.01 -0.04 0.00 1.23 0.00 0.00 39.78 37.30 2bj4 n ASN 439 CO 0.00 0.00 0.00 -0.11 -3.05 0.00 0.00 177.26 174.10 2bj4 n LEU 440 N -4.30 2.95 -4.92 1.20 7.94 -0.41 -4.98 117.00 114.49 2bj4 n LEU 440 Ca -0.29 1.09 -0.28 0.00 -1.11 0.00 0.00 56.01 55.42 2bj4 n LEU 440 Cb 0.67 -1.40 -0.03 0.00 0.53 0.00 0.00 43.42 43.18 2bj4 n LEU 440 CO 0.69 -0.39 0.02 -1.10 -1.11 0.00 0.00 177.39 175.49 2bj4 s GLN 441 N 0.70 3.53 0.20 1.96 -1.52 -1.26 -4.99 119.66 118.28 2bj4 s GLN 441 Ca 0.78 -0.30 -0.10 0.00 -1.95 0.00 0.00 55.36 53.79 2bj4 s GLN 441 Cb -0.70 -2.85 0.25 0.00 -0.22 0.00 0.00 33.01 29.49 2bj4 s GLN 441 CO 0.40 0.42 1.74 0.78 -0.25 0.00 0.00 175.29 178.39 2bj4 h GLY 442 N 2.22 0.79 1.82 3.09 0.00 -1.99 -0.82 103.07 108.18 2bj4 h GLY 442 Ca -0.47 -0.10 -0.01 0.00 0.00 0.00 0.00 47.33 46.75 2bj4 h GLY 442 CO 0.69 -0.03 0.06 0.83 0.00 0.00 0.00 176.54 178.10 2bj4 h GLU 443 N 0.37 0.23 -0.16 4.80 3.07 -1.99 -1.01 114.58 119.89 2bj4 h GLU 443 Ca 0.29 -0.02 -0.05 0.00 -0.50 0.00 0.00 59.36 59.08 2bj4 h GLU 443 Cb 0.36 -0.05 -0.00 0.00 -0.84 0.00 0.00 28.75 28.22 2bj4 h GLU 443 CO -0.31 0.20 -0.07 0.93 -1.40 0.00 0.00 179.01 178.36 2bj4 h GLU 444 N 0.24 0.34 -0.64 2.33 5.08 -1.59 -2.21 114.58 118.12 2bj4 h GLU 444 Ca 0.06 -0.15 0.10 0.00 -1.00 0.00 0.00 59.36 58.37 2bj4 h GLU 444 Cb 0.06 -0.01 -0.07 0.00 0.50 0.00 0.00 28.75 29.22 2bj4 h GLU 444 CO -0.01 0.65 0.25 0.35 -1.00 0.00 0.00 179.01 179.26 2bj4 h PHE 445 N 0.02 0.44 -0.71 4.33 3.57 -0.82 -1.27 116.94 122.50 2bj4 h PHE 445 Ca 0.04 0.03 -0.05 0.00 3.53 0.00 0.00 57.97 61.52 2bj4 h PHE 445 Cb 0.54 -0.10 -0.03 0.00 2.79 0.00 0.00 35.95 39.15 2bj4 h PHE 445 CO 0.06 0.12 0.24 0.28 -2.23 0.00 0.00 178.31 176.78 2bj4 h VAL 446 N 0.44 1.25 -0.54 1.41 2.07 -1.13 -1.58 116.25 118.19 2bj4 h VAL 446 Ca 0.32 -0.85 -0.05 0.00 0.82 0.00 0.00 66.70 66.94 2bj4 h VAL 446 Cb 0.40 0.48 -0.02 0.00 -1.52 0.00 0.00 31.29 30.62 2bj4 h VAL 446 CO -0.31 0.34 0.15 0.00 0.02 0.00 0.00 177.57 177.77 2bj4 h LEU 448 N 0.74 1.03 -0.51 0.00 3.38 -0.73 -0.71 115.31 118.51 2bj4 h LEU 448 Ca 0.17 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.12 2bj4 h LEU 448 Cb 0.30 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 40.77 2bj4 h LEU 448 CO -0.00 0.73 0.33 0.11 0.09 0.00 0.00 178.44 179.70 2bj4 h LYS 449 N 1.21 0.68 -0.44 1.13 1.57 -1.19 0.00 116.57 119.53 2bj4 h LYS 449 Ca 0.34 -0.05 -0.10 0.00 -1.87 0.00 0.00 60.65 58.98 2bj4 h LYS 449 Cb -0.10 -0.15 -0.02 0.00 0.08 0.00 0.00 32.23 32.05 2bj4 h LYS 449 CO -0.08 0.47 -0.12 0.77 -0.57 0.00 0.00 179.45 179.92 2bj4 h SER 450 N 0.69 0.78 -0.39 0.86 0.02 -1.27 -1.37 113.55 112.86 2bj4 h SER 450 Ca 0.19 -0.24 -0.00 0.00 -0.84 0.00 0.00 61.79 60.89 2bj4 h SER 450 Cb -0.05 -0.21 -0.02 0.00 0.14 0.00 0.00 62.40 62.26 2bj4 h SER 450 CO -0.04 0.92 0.23 0.40 -1.14 0.00 0.00 176.83 177.20 2bj4 h ILE 451 N 0.71 1.14 -0.48 3.27 2.04 -0.74 -1.52 117.51 121.93 2bj4 h ILE 451 Ca 0.12 -0.34 0.04 0.00 1.00 0.00 0.00 64.86 65.68 2bj4 h ILE 451 Cb 0.60 0.65 -0.04 0.00 -0.74 0.00 0.00 36.82 37.29 2bj4 h ILE 451 CO 0.04 0.14 0.24 0.40 0.00 0.00 0.00 178.15 178.97 2bj4 h ILE 452 N 0.51 0.95 -0.40 -0.67 2.04 -0.67 0.11 117.51 119.37 2bj4 h ILE 452 Ca 0.14 -0.16 0.05 0.00 1.00 0.00 0.00 64.86 65.89 2bj4 h ILE 452 Cb 0.03 0.44 -0.04 0.00 -0.74 0.00 0.00 36.82 36.51 2bj4 h ILE 452 CO -0.02 0.08 0.15 0.25 0.00 0.00 0.00 178.15 178.61 2bj4 h LEU 453 N 0.47 0.17 0.00 1.44 5.85 -0.97 -2.12 115.31 120.15 2bj4 h LEU 453 Ca 0.21 0.04 -0.11 0.00 0.84 0.00 0.00 57.88 58.87 2bj4 h LEU 453 Cb 0.13 0.02 -0.02 0.00 0.37 0.00 0.00 40.66 41.17 2bj4 h LEU 453 CO -0.16 0.13 -0.54 -0.07 -0.34 0.00 0.00 178.44 177.47 2bj4 h LEU 454 N 0.32 0.00 0.08 2.25 3.38 -0.95 -3.39 115.31 117.01 2bj4 h LEU 454 Ca 0.18 0.00 -0.34 0.00 0.09 0.00 0.00 57.88 57.81 2bj4 h LEU 454 Cb 0.16 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 40.88 2bj4 h LEU 454 CO -0.18 0.49 -1.92 -3.20 0.09 0.00 0.00 178.44 173.73 2bj4 n ASN 455 N -3.20 2.05 -0.35 -0.43 4.05 0.35 -4.35 115.26 113.38 2bj4 n ASN 455 Ca 0.01 0.23 0.01 0.00 0.45 0.00 0.00 54.58 55.28 2bj4 n ASN 455 Cb 0.74 -0.84 0.17 0.00 1.23 0.00 0.00 39.78 41.08 2bj4 n ASN 455 CO 0.00 0.00 0.00 0.28 -3.05 0.00 0.00 177.26 174.49 2bj4 h SER 456 N -0.20 1.04 -0.36 1.20 0.02 -1.57 -2.58 113.55 111.10 2bj4 h SER 456 Ca -0.44 -0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.51 2bj4 h SER 456 Cb 1.86 -0.23 0.00 0.00 0.14 0.00 0.00 62.40 64.17 2bj4 h SER 456 CO -0.01 0.70 0.00 0.61 -1.14 0.00 0.00 176.83 176.99 2bj4 n GLY 457 N -1.38 1.67 0.23 -3.77 0.00 -1.26 -4.63 105.19 96.05 2bj4 n GLY 457 Ca 0.14 -0.66 -0.04 0.00 0.00 0.00 0.00 46.02 45.45 2bj4 n GLY 457 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 2bj4 h VAL 458 N 3.98 1.28 0.00 1.61 3.04 -1.65 -2.97 116.25 121.54 2bj4 h VAL 458 Ca 0.00 -1.40 -0.14 0.00 -1.01 0.00 0.00 66.70 64.16 2bj4 h VAL 458 Cb 0.91 1.47 -0.02 0.00 -2.01 0.00 0.00 31.29 31.64 2bj4 h VAL 458 CO 0.00 0.44 -0.86 1.88 -1.01 0.00 0.00 177.57 178.02 2bj4 h TYR 459 N 0.39 0.00 -0.78 3.17 0.05 -1.82 -3.50 116.97 114.48 2bj4 h TYR 459 Ca 0.05 0.00 -0.72 0.00 0.05 0.00 0.00 58.73 58.10 2bj4 h TYR 459 Cb 0.76 0.00 -0.10 0.00 1.01 0.00 0.00 36.73 38.40 2bj4 h TYR 459 CO 0.02 0.57 2.47 0.25 -1.05 0.00 0.00 178.16 180.42 2bj4 n THR 460 N -3.12 3.89 -0.31 -2.88 -2.24 -1.13 -5.25 114.28 103.25 2bj4 n THR 460 Ca -0.02 -3.79 0.00 0.00 -2.27 0.00 0.00 64.05 57.97 2bj4 n THR 460 Cb 0.79 -2.48 0.00 0.00 -2.10 0.00 0.00 70.33 66.54 2bj4 n THR 460 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 2bj4 n THR 465 N 4.64 -1.40 -0.22 4.28 -2.24 -1.26 -5.10 114.28 112.99 2bj4 n THR 465 Ca 0.46 0.00 -0.06 0.00 -2.27 0.00 0.00 64.05 62.18 2bj4 n THR 465 Cb 0.39 -1.40 -0.05 0.00 -2.10 0.00 0.00 70.33 67.17 2bj4 n THR 465 CO 0.00 0.00 0.00 0.17 -0.57 0.00 0.00 175.07 174.67 2bj4 h LEU 466 N 0.00 -1.15 -1.74 3.22 8.10 -2.05 -0.63 115.31 121.05 2bj4 h LEU 466 Ca 0.00 0.17 -0.03 0.00 0.11 0.00 0.00 57.88 58.13 2bj4 h LEU 466 Cb 0.00 0.51 -0.00 0.00 -0.44 0.00 0.00 40.66 40.72 2bj4 h LEU 466 CO 0.00 -0.13 -0.16 0.07 -4.11 0.00 0.00 178.44 174.11 2bj4 h LYS 467 N -0.01 0.00 0.00 0.17 5.09 -2.05 0.13 116.57 119.90 2bj4 h LYS 467 Ca 0.08 0.00 0.02 0.00 0.09 0.00 0.00 60.65 60.84 2bj4 h LYS 467 Cb 0.22 0.00 -0.02 0.00 0.10 0.00 0.00 32.23 32.53 2bj4 h LYS 467 CO -0.49 0.16 -0.12 1.03 -2.09 0.00 0.00 179.45 177.94 2bj4 h SER 468 N 0.00 -0.34 -0.60 7.07 0.87 -1.59 0.15 113.55 119.12 2bj4 h SER 468 Ca -0.00 0.05 -0.09 0.00 -1.23 0.00 0.00 61.79 60.52 2bj4 h SER 468 Cb 0.31 0.14 -0.02 0.00 -0.44 0.00 0.00 62.40 62.39 2bj4 h SER 468 CO 0.02 -0.17 0.01 -0.07 -0.53 0.00 0.00 176.83 176.09 2bj4 h LEU 469 N -0.20 1.03 -0.72 2.23 3.38 -0.30 -1.33 115.31 119.39 2bj4 h LEU 469 Ca 0.04 -0.30 0.10 0.00 0.09 0.00 0.00 57.88 57.81 2bj4 h LEU 469 Cb 0.25 -0.28 -0.08 0.00 0.09 0.00 0.00 40.66 40.65 2bj4 h LEU 469 CO -0.12 1.08 0.34 -0.33 0.09 0.00 0.00 178.44 179.51 2bj4 h GLU 470 N 0.95 0.55 -0.23 1.13 4.39 -0.63 0.33 114.58 121.07 2bj4 h GLU 470 Ca 0.17 -0.03 -0.15 0.00 0.34 0.00 0.00 59.36 59.69 2bj4 h GLU 470 Cb 0.55 -0.13 0.00 0.00 -0.10 0.00 0.00 28.75 29.07 2bj4 h GLU 470 CO 0.03 0.37 -0.44 0.93 -1.16 0.00 0.00 179.01 178.74 2bj4 h GLU 471 N 0.57 0.70 -0.54 2.33 5.08 -0.55 -1.98 114.58 120.19 2bj4 h GLU 471 Ca 0.36 -0.45 -0.04 0.00 -1.00 0.00 0.00 59.36 58.23 2bj4 h GLU 471 Cb 0.42 0.05 -0.03 0.00 0.50 0.00 0.00 28.75 29.70 2bj4 h GLU 471 CO -0.29 1.07 0.16 0.87 -1.00 0.00 0.00 179.01 179.82 2bj4 h LYS 472 N 0.42 0.80 -0.11 2.33 1.79 -0.88 -1.44 116.57 119.48 2bj4 h LYS 472 Ca 0.01 -0.15 0.02 0.00 -2.18 0.00 0.00 60.65 58.36 2bj4 h LYS 472 Cb 1.04 -0.13 -0.02 0.00 -1.58 0.00 0.00 32.23 31.54 2bj4 h LYS 472 CO 0.10 0.70 -0.03 0.22 -1.08 0.00 0.00 179.45 179.36 2bj4 h ASP 473 N 0.78 -0.11 -0.45 0.86 1.82 -0.28 -1.84 116.42 117.21 2bj4 h ASP 473 Ca 0.18 0.03 0.01 0.00 -0.39 0.00 0.00 57.03 56.86 2bj4 h ASP 473 Cb 0.24 0.07 -0.02 0.00 0.68 0.00 0.00 39.33 40.30 2bj4 h ASP 473 CO -0.01 -0.04 0.29 -0.74 -1.61 0.00 0.00 179.24 177.13 2bj4 h HIS 474 N -0.00 0.54 -0.54 0.28 2.76 -0.88 -1.98 115.15 115.33 2bj4 h HIS 474 Ca 0.05 0.01 0.06 0.00 -2.20 0.00 0.00 60.37 58.30 2bj4 h HIS 474 Cb 0.08 -0.18 -0.05 0.00 1.55 0.00 0.00 27.41 28.81 2bj4 h HIS 474 CO -0.16 0.33 0.24 0.82 -1.30 0.00 0.00 177.93 177.86 2bj4 h ILE 475 N 0.58 0.88 -0.39 6.26 2.04 -1.17 -1.92 117.51 123.80 2bj4 h ILE 475 Ca 0.17 -0.16 -0.07 0.00 1.00 0.00 0.00 64.86 65.80 2bj4 h ILE 475 Cb -0.05 0.39 -0.02 0.00 -0.74 0.00 0.00 36.82 36.40 2bj4 h ILE 475 CO -0.05 0.08 -0.07 0.45 0.00 0.00 0.00 178.15 178.57 2bj4 h HIS 476 N 0.45 0.70 -0.69 1.37 3.86 -1.02 -0.38 115.15 119.45 2bj4 h HIS 476 Ca 0.25 -0.10 -0.04 0.00 -1.16 0.00 0.00 60.37 59.32 2bj4 h HIS 476 Cb 0.22 -0.19 -0.03 0.00 1.06 0.00 0.00 27.41 28.47 2bj4 h HIS 476 CO -0.13 0.71 0.28 0.00 0.86 0.00 0.00 177.93 179.65 2bj4 h ARG 477 N 0.61 1.04 -0.44 2.45 3.08 -0.94 -0.05 114.38 120.13 2bj4 h ARG 477 Ca 0.12 -0.19 -0.14 0.00 0.07 0.00 0.00 59.98 59.84 2bj4 h ARG 477 Cb 0.48 -0.17 -0.01 0.00 0.08 0.00 0.00 29.97 30.35 2bj4 h ARG 477 CO 0.03 0.86 -0.26 0.28 -1.07 0.00 0.00 179.97 179.80 2bj4 h VAL 478 N 0.99 1.27 -0.73 2.04 2.07 -0.83 -1.62 116.25 119.44 2bj4 h VAL 478 Ca 0.23 -1.43 0.07 0.00 0.82 0.00 0.00 66.70 66.39 2bj4 h VAL 478 Cb 0.21 1.23 -0.06 0.00 -1.52 0.00 0.00 31.29 31.15 2bj4 h VAL 478 CO -0.02 0.49 0.42 -0.07 0.02 0.00 0.00 177.57 178.40 2bj4 h LEU 479 N 0.79 0.62 -0.87 2.57 3.38 -0.89 -1.07 115.31 119.84 2bj4 h LEU 479 Ca 0.09 0.03 -0.03 0.00 0.09 0.00 0.00 57.88 58.07 2bj4 h LEU 479 Cb 0.84 -0.09 -0.04 0.00 0.09 0.00 0.00 40.66 41.46 2bj4 h LEU 479 CO 0.07 0.39 0.43 0.44 0.09 0.00 0.00 178.44 179.87 2bj4 h ASP 480 N 0.75 1.12 -0.54 -0.43 3.32 -0.61 -1.48 116.42 118.55 2bj4 h ASP 480 Ca 0.33 -0.13 -0.04 0.00 0.02 0.00 0.00 57.03 57.21 2bj4 h ASP 480 Cb 0.22 -0.29 -0.03 0.00 0.22 0.00 0.00 39.33 39.46 2bj4 h ASP 480 CO -0.20 0.93 0.19 0.11 -1.72 0.00 0.00 179.24 178.56 2bj4 h LYS 481 N 1.23 0.88 -0.14 3.56 1.79 -0.63 -1.13 116.57 122.13 2bj4 h LYS 481 Ca 0.30 -0.16 -0.12 0.00 -2.18 0.00 0.00 60.65 58.49 2bj4 h LYS 481 Cb 0.10 -0.14 -0.01 0.00 -1.58 0.00 0.00 32.23 30.59 2bj4 h LYS 481 CO -0.04 0.75 -0.45 0.82 -1.08 0.00 0.00 179.45 179.45 2bj4 h ILE 482 N 0.86 1.32 -0.20 1.86 2.04 -0.62 -1.20 117.51 121.56 2bj4 h ILE 482 Ca 0.20 -1.63 -0.02 0.00 1.00 0.00 0.00 64.86 64.41 2bj4 h ILE 482 Cb 0.24 1.71 -0.01 0.00 -0.74 0.00 0.00 36.82 38.02 2bj4 h ILE 482 CO -0.01 0.49 0.06 0.74 0.00 0.00 0.00 178.15 179.44 2bj4 h THR 483 N 0.27 1.19 -0.81 -0.27 2.02 -0.87 -0.88 112.91 113.55 2bj4 h THR 483 Ca 0.02 -0.59 0.15 0.00 0.77 0.00 0.00 66.41 66.76 2bj4 h THR 483 Cb 0.90 1.20 -0.10 0.00 -1.74 0.00 0.00 68.15 68.41 2bj4 h THR 483 CO 0.07 0.19 0.37 0.44 0.37 0.00 0.00 175.52 176.97 2bj4 h ASP 484 N 0.16 0.40 -0.31 4.18 3.32 -1.06 -1.27 116.42 121.84 2bj4 h ASP 484 Ca 0.07 0.10 -0.02 0.00 0.02 0.00 0.00 57.03 57.20 2bj4 h ASP 484 Cb 0.23 0.05 -0.01 0.00 0.22 0.00 0.00 39.33 39.82 2bj4 h ASP 484 CO -0.00 0.15 0.13 0.74 -1.72 0.00 0.00 179.24 178.54 2bj4 h THR 485 N 0.53 1.18 -0.50 0.35 2.02 -0.69 -0.26 112.91 115.53 2bj4 h THR 485 Ca 0.45 -0.55 0.02 0.00 0.77 0.00 0.00 66.41 67.11 2bj4 h THR 485 Cb 0.68 0.96 -0.03 0.00 -1.74 0.00 0.00 68.15 68.01 2bj4 h THR 485 CO -0.39 0.19 0.30 -0.07 0.37 0.00 0.00 175.52 175.91 2bj4 h LEU 486 N 0.36 0.48 -0.40 2.58 3.38 -0.82 -1.71 115.31 119.17 2bj4 h LEU 486 Ca 0.10 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.07 2bj4 h LEU 486 Cb 0.18 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 40.81 2bj4 h LEU 486 CO -0.01 0.34 0.23 0.40 0.09 0.00 0.00 178.44 179.49 2bj4 h ILE 487 N 0.59 1.14 -0.70 1.22 1.08 -1.04 -2.25 117.51 117.56 2bj4 h ILE 487 Ca 0.20 -0.36 0.04 0.00 -0.39 0.00 0.00 64.86 64.35 2bj4 h ILE 487 Cb 0.02 0.65 -0.05 0.00 -3.07 0.00 0.00 36.82 34.37 2bj4 h ILE 487 CO -0.09 0.15 0.42 -0.74 -0.69 0.00 0.00 178.15 177.20 2bj4 h HIS 488 N 0.52 0.79 -0.40 1.37 2.76 -0.82 0.27 115.15 119.64 2bj4 h HIS 488 Ca 0.14 0.02 0.03 0.00 -2.20 0.00 0.00 60.37 58.37 2bj4 h HIS 488 Cb 0.04 -0.25 -0.04 0.00 1.55 0.00 0.00 27.41 28.71 2bj4 h HIS 488 CO -0.03 0.43 0.19 -0.07 -1.30 0.00 0.00 177.93 177.15 2bj4 h LEU 489 N 0.81 0.28 -0.44 0.26 3.38 -1.09 0.71 115.31 119.22 2bj4 h LEU 489 Ca 0.29 0.02 -0.10 0.00 0.09 0.00 0.00 57.88 58.19 2bj4 h LEU 489 Cb 0.08 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 40.79 2bj4 h LEU 489 CO -0.13 0.20 -0.10 0.24 0.09 0.00 0.00 178.44 178.74 2bj4 h MET 490 N 0.39 0.84 -0.27 1.13 2.86 -0.80 -1.32 114.93 117.77 2bj4 h MET 490 Ca 0.17 -0.32 -0.01 0.00 -2.06 0.00 0.00 59.70 57.49 2bj4 h MET 490 Cb 0.09 -0.05 -0.01 0.00 0.06 0.00 0.00 31.60 31.69 2bj4 h MET 490 CO -0.13 0.95 0.14 0.00 1.06 0.00 0.00 176.91 178.93 2bj4 h ALA 491 N 0.87 0.34 -0.00 6.32 0.00 -0.26 -2.37 119.26 124.17 2bj4 h ALA 491 Ca 0.11 -0.07 -0.02 0.00 0.00 0.00 0.00 54.91 54.93 2bj4 h ALA 491 Cb 0.63 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.31 2bj4 h ALA 491 CO 0.04 -0.12 -0.10 -0.22 0.00 0.00 0.00 179.25 178.86 2bj4 h LYS 492 N 0.31 0.00 0.00 0.00 3.64 -0.73 -0.37 116.57 119.43 2bj4 h LYS 492 Ca 0.09 -0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.47 2bj4 h LYS 492 Cb 0.08 -0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.90 2bj4 h LYS 492 CO -0.01 0.10 0.00 0.00 -2.27 0.00 0.00 179.45 177.26 2bj4 n ALA 493 N -2.52 2.04 -0.30 5.00 0.00 -0.51 -4.92 120.51 119.30 2bj4 n ALA 493 Ca -0.03 -0.08 0.00 0.00 0.00 0.00 0.00 53.44 53.33 2bj4 n ALA 493 Cb 0.17 -1.35 0.00 0.00 0.00 0.00 0.00 19.45 18.27 2bj4 n ALA 493 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2bj4 n GLY 494 N 0.70 0.83 3.78 0.00 0.00 -0.15 -5.07 105.19 105.27 2bj4 n GLY 494 Ca 0.07 -0.21 -0.37 0.00 0.00 0.00 0.00 46.02 45.51 2bj4 n GLY 494 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2bj4 s LEU 495 N 0.00 4.15 0.94 0.99 1.43 -0.99 -5.04 118.68 120.16 2bj4 s LEU 495 Ca 0.00 2.13 -0.12 0.00 -1.03 0.00 0.00 54.13 55.11 2bj4 s LEU 495 Cb 0.00 -4.15 0.15 0.00 0.03 0.00 0.00 46.19 42.23 2bj4 s LEU 495 CO 0.00 -0.56 1.09 0.42 0.23 0.00 0.00 176.35 177.53 2bj4 s THR 496 N -1.59 2.47 0.23 5.49 -4.23 -1.26 -4.65 115.64 112.10 2bj4 s THR 496 Ca 0.58 0.15 -0.07 0.00 -1.18 0.00 0.00 61.69 61.17 2bj4 s THR 496 Cb -0.24 -2.57 0.18 0.00 1.34 0.00 0.00 72.50 71.21 2bj4 s THR 496 CO 0.31 -0.20 1.83 -0.07 -0.54 0.00 0.00 174.62 175.95 2bj4 h LEU 497 N -1.73 0.70 -0.54 4.79 3.38 -1.99 0.12 115.31 120.05 2bj4 h LEU 497 Ca -0.51 0.02 -0.04 0.00 0.09 0.00 0.00 57.88 57.44 2bj4 h LEU 497 Cb 1.29 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 41.90 2bj4 h LEU 497 CO 0.54 0.45 0.18 -0.61 0.09 0.00 0.00 178.44 179.09 2bj4 h GLN 498 N 0.84 0.84 -0.43 1.13 4.15 -2.00 -0.83 115.11 118.80 2bj4 h GLN 498 Ca 0.34 -0.17 -0.06 0.00 0.77 0.00 0.00 58.65 59.52 2bj4 h GLN 498 Cb 0.17 -0.12 -0.02 0.00 0.21 0.00 0.00 27.48 27.72 2bj4 h GLN 498 CO -0.17 0.76 0.02 1.96 -1.93 0.00 0.00 178.83 179.46 2bj4 h GLN 499 N 0.75 0.69 -0.17 1.69 4.20 -1.78 -1.53 115.11 118.97 2bj4 h GLN 499 Ca 0.18 -0.17 -0.01 0.00 0.06 0.00 0.00 58.65 58.71 2bj4 h GLN 499 Cb 0.26 -0.09 -0.01 0.00 0.30 0.00 0.00 27.48 27.94 2bj4 h GLN 499 CO -0.01 0.70 0.08 1.96 -0.67 0.00 0.00 178.83 180.89 2bj4 h GLN 500 N 0.66 0.24 -0.48 1.46 4.20 -0.13 -0.21 115.11 120.85 2bj4 h GLN 500 Ca 0.14 -0.04 -0.09 0.00 0.06 0.00 0.00 58.65 58.72 2bj4 h GLN 500 Cb 0.38 -0.04 -0.02 0.00 0.30 0.00 0.00 27.48 28.10 2bj4 h GLN 500 CO 0.01 0.29 -0.04 0.45 -0.67 0.00 0.00 178.83 178.87 2bj4 h HIS 501 N 0.14 0.96 -0.57 2.96 3.86 -1.07 -0.73 115.15 120.70 2bj4 h HIS 501 Ca 0.06 -0.18 -0.01 0.00 -1.16 0.00 0.00 60.37 59.07 2bj4 h HIS 501 Cb 0.13 -0.24 -0.03 0.00 1.06 0.00 0.00 27.41 28.33 2bj4 h HIS 501 CO -0.02 0.92 0.31 1.96 0.86 0.00 0.00 177.93 181.96 2bj4 h GLN 502 N 0.72 0.80 -0.37 2.45 4.20 -1.25 -1.42 115.11 120.25 2bj4 h GLN 502 Ca 0.13 -0.10 -0.09 0.00 0.06 0.00 0.00 58.65 58.66 2bj4 h GLN 502 Cb 0.57 -0.16 -0.01 0.00 0.30 0.00 0.00 27.48 28.18 2bj4 h GLN 502 CO 0.03 0.62 -0.11 -0.09 -0.67 0.00 0.00 178.83 178.61 2bj4 h ARG 503 N 0.77 0.73 -0.49 1.46 2.43 -0.92 -1.11 114.38 117.25 2bj4 h ARG 503 Ca 0.20 -0.29 0.06 0.00 -0.81 0.00 0.00 59.98 59.15 2bj4 h ARG 503 Cb 0.05 -0.04 -0.05 0.00 -0.42 0.00 0.00 29.97 29.51 2bj4 h ARG 503 CO -0.03 0.89 0.18 1.25 -1.51 0.00 0.00 179.97 180.75 2bj4 h LEU 504 N 0.52 0.19 -0.58 3.80 5.85 -0.97 -1.42 115.31 122.70 2bj4 h LEU 504 Ca 0.09 0.06 -0.03 0.00 0.84 0.00 0.00 57.88 58.83 2bj4 h LEU 504 Cb 0.63 0.04 -0.03 0.00 0.37 0.00 0.00 40.66 41.67 2bj4 h LEU 504 CO 0.04 0.14 0.23 0.00 -0.34 0.00 0.00 178.44 178.51 2bj4 h ALA 505 N 1.32 0.76 -0.75 1.25 0.00 -1.11 -1.76 119.26 118.97 2bj4 h ALA 505 Ca 0.23 -0.17 0.05 0.00 0.00 0.00 0.00 54.91 55.03 2bj4 h ALA 505 Cb 0.24 -0.23 -0.05 0.00 0.00 0.00 0.00 17.79 17.74 2bj4 h ALA 505 CO -0.23 0.38 0.45 1.96 0.00 0.00 0.00 179.25 181.80 2bj4 h GLN 506 N 0.81 0.81 -0.36 0.00 4.20 -0.83 -0.72 115.11 119.01 2bj4 h GLN 506 Ca 0.19 -0.05 -0.07 0.00 0.06 0.00 0.00 58.65 58.79 2bj4 h GLN 506 Cb 0.21 -0.18 -0.01 0.00 0.30 0.00 0.00 27.48 27.79 2bj4 h GLN 506 CO -0.02 0.53 -0.05 -0.07 -0.67 0.00 0.00 178.83 178.56 2bj4 h LEU 507 N 0.83 0.66 -0.96 1.46 3.38 -1.08 -2.90 115.31 116.70 2bj4 h LEU 507 Ca 0.32 -0.34 -0.09 0.00 0.09 0.00 0.00 57.88 57.86 2bj4 h LEU 507 Cb 0.14 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.70 2bj4 h LEU 507 CO -0.16 0.85 -0.27 -0.07 0.09 0.00 0.00 178.44 178.88 2bj4 h LEU 508 N 0.46 0.43 -1.22 1.67 3.38 -1.06 -2.67 115.31 116.31 2bj4 h LEU 508 Ca 0.10 -0.15 -0.08 0.00 0.09 0.00 0.00 57.88 57.84 2bj4 h LEU 508 Cb 0.54 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 41.16 2bj4 h LEU 508 CO 0.03 0.70 -0.35 -0.07 0.09 0.00 0.00 178.44 178.84 2bj4 h LEU 509 N 0.38 0.07 -2.01 1.67 3.38 -1.06 -2.24 115.31 115.50 2bj4 h LEU 509 Ca 0.05 -0.02 -0.02 0.00 0.09 0.00 0.00 57.88 57.98 2bj4 h LEU 509 Cb 0.68 -0.02 -0.00 0.00 0.09 0.00 0.00 40.66 41.40 2bj4 h LEU 509 CO 0.05 0.42 -0.08 0.40 0.09 0.00 0.00 178.44 179.32 2bj4 h ILE 510 N 0.06 0.79 -0.21 1.22 2.04 -1.27 -2.75 117.51 117.40 2bj4 h ILE 510 Ca 0.01 -0.31 -0.03 0.00 1.00 0.00 0.00 64.86 65.52 2bj4 h ILE 510 Cb 0.65 1.18 -0.01 0.00 -0.74 0.00 0.00 36.82 37.90 2bj4 h ILE 510 CO 0.05 0.08 -0.01 -0.07 0.00 0.00 0.00 178.15 178.19 2bj4 h LEU 511 N 0.00 0.29 -1.04 1.44 3.38 -1.41 -0.92 115.31 117.04 2bj4 h LEU 511 Ca -0.00 -0.04 -0.07 0.00 0.09 0.00 0.00 57.88 57.86 2bj4 h LEU 511 Cb 0.17 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 40.83 2bj4 h LEU 511 CO 0.01 0.35 -0.05 0.77 0.09 0.00 0.00 178.44 179.61 2bj4 h SER 512 N 0.31 0.59 -0.44 -0.43 4.64 -1.58 -0.16 113.55 116.48 2bj4 h SER 512 Ca 0.07 -0.14 -0.13 0.00 -0.47 0.00 0.00 61.79 61.12 2bj4 h SER 512 Cb 0.23 -0.16 -0.01 0.00 -0.31 0.00 0.00 62.40 62.15 2bj4 h SER 512 CO 0.01 0.70 -0.24 -0.74 -0.87 0.00 0.00 176.83 175.69 2bj4 h HIS 513 N 0.58 1.09 -0.69 4.77 -0.00 -1.32 -1.83 115.15 117.75 2bj4 h HIS 513 Ca 0.11 -0.28 -0.07 0.00 -0.00 0.00 0.00 60.37 60.13 2bj4 h HIS 513 Cb 0.45 -0.25 -0.03 0.00 -0.00 0.00 0.00 27.41 27.58 2bj4 h HIS 513 CO 0.02 1.09 0.15 0.82 -0.00 0.00 0.00 177.93 180.01 2bj4 h ILE 514 N 0.78 1.26 -0.15 6.26 2.04 -1.02 -0.66 117.51 126.02 2bj4 h ILE 514 Ca 0.09 -0.99 0.03 0.00 1.00 0.00 0.00 64.86 64.99 2bj4 h ILE 514 Cb 0.82 0.57 -0.03 0.00 -0.74 0.00 0.00 36.82 37.44 2bj4 h ILE 514 CO 0.07 0.38 -0.03 -0.09 0.00 0.00 0.00 178.15 178.47 2bj4 h ARG 515 N 1.05 0.00 -0.53 2.37 9.65 -0.98 -1.55 114.38 124.39 2bj4 h ARG 515 Ca 0.21 -0.00 0.10 0.00 -1.10 0.00 0.00 59.98 59.19 2bj4 h ARG 515 Cb 0.39 -0.00 -0.08 0.00 -1.39 0.00 0.00 29.97 28.89 2bj4 h ARG 515 CO 0.01 0.00 0.07 1.25 2.80 0.00 0.00 179.97 184.10 2bj4 h HIS 516 N 0.00 0.10 -0.44 2.20 2.76 -0.85 -0.20 115.15 118.73 2bj4 h HIS 516 Ca 0.07 0.03 -0.03 0.00 -2.20 0.00 0.00 60.37 58.25 2bj4 h HIS 516 Cb 0.11 0.04 -0.02 0.00 1.55 0.00 0.00 27.41 29.08 2bj4 h HIS 516 CO -0.18 -0.06 0.17 0.52 -1.30 0.00 0.00 177.93 177.08 2bj4 h MET 517 N 0.20 0.66 -0.48 5.26 2.86 -0.90 -1.13 114.93 121.40 2bj4 h MET 517 Ca 0.27 -0.12 0.01 0.00 -2.06 0.00 0.00 59.70 57.80 2bj4 h MET 517 Cb 0.39 -0.10 -0.03 0.00 0.06 0.00 0.00 31.60 31.92 2bj4 h MET 517 CO -0.38 0.61 0.30 1.03 1.06 0.00 0.00 176.91 179.53 2bj4 h SER 518 N 0.56 0.51 -0.44 1.22 0.87 -1.02 0.10 113.55 115.36 2bj4 h SER 518 Ca 0.14 -0.01 0.06 0.00 -1.23 0.00 0.00 61.79 60.75 2bj4 h SER 518 Cb 0.20 -0.12 -0.05 0.00 -0.44 0.00 0.00 62.40 61.99 2bj4 h SER 518 CO -0.01 0.37 0.15 0.78 -0.53 0.00 0.00 176.83 177.59 2bj4 h ASN 519 N 0.61 0.16 -0.58 6.23 2.35 -0.62 1.00 115.58 124.73 2bj4 h ASN 519 Ca 0.18 0.05 -0.09 0.00 -0.55 0.00 0.00 56.30 55.90 2bj4 h ASN 519 Cb -0.03 0.04 -0.02 0.00 0.05 0.00 0.00 38.32 38.35 2bj4 h ASN 519 CO -0.06 0.13 0.04 0.11 -1.65 0.00 0.00 177.43 175.99 2bj4 h LYS 520 N 0.32 1.03 -0.39 0.81 1.79 -0.93 -1.40 116.57 117.79 2bj4 h LYS 520 Ca 0.21 -0.30 -0.03 0.00 -2.18 0.00 0.00 60.65 58.35 2bj4 h LYS 520 Cb 0.20 -0.11 -0.02 0.00 -1.58 0.00 0.00 32.23 30.72 2bj4 h LYS 520 CO -0.21 0.98 0.14 0.78 -1.08 0.00 0.00 179.45 180.06 2bj4 h GLY 521 N 1.01 0.65 1.01 3.86 0.00 -0.50 -1.33 103.07 107.77 2bj4 h GLY 521 Ca 0.18 -0.37 -0.04 0.00 0.00 0.00 0.00 47.33 47.10 2bj4 h GLY 521 CO 0.02 0.35 0.26 -0.33 0.00 0.00 0.00 176.54 176.84 2bj4 h MET 522 N 0.49 0.99 -0.48 4.80 2.86 -0.71 0.11 114.93 122.99 2bj4 h MET 522 Ca 0.13 -0.18 0.08 0.00 -2.06 0.00 0.00 59.70 57.67 2bj4 h MET 522 Cb 0.23 -0.16 -0.07 0.00 0.06 0.00 0.00 31.60 31.66 2bj4 h MET 522 CO -0.01 0.83 0.08 0.93 1.06 0.00 0.00 176.91 179.80 2bj4 h GLU 523 N 0.93 0.20 0.18 1.72 5.08 -1.12 0.59 114.58 122.16 2bj4 h GLU 523 Ca 0.22 -0.01 -0.01 0.00 -1.00 0.00 0.00 59.36 58.56 2bj4 h GLU 523 Cb 0.21 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.41 2bj4 h GLU 523 CO -0.02 0.14 -0.09 1.25 -1.00 0.00 0.00 179.01 179.29 2bj4 h HIS 524 N 0.21 -0.22 -0.61 4.33 2.76 -0.45 -0.59 115.15 120.57 2bj4 h HIS 524 Ca 0.24 -0.01 0.13 0.00 -2.20 0.00 0.00 60.37 58.53 2bj4 h HIS 524 Cb 0.32 0.07 -0.10 0.00 1.55 0.00 0.00 27.41 29.26 2bj4 h HIS 524 CO -0.24 0.06 0.03 -0.07 -1.30 0.00 0.00 177.93 176.42 2bj4 h LEU 525 N -0.51 -0.21 -1.23 0.26 4.07 -0.74 -0.79 115.31 116.16 2bj4 h LEU 525 Ca -0.02 0.14 -0.08 0.00 0.08 0.00 0.00 57.88 58.00 2bj4 h LEU 525 Cb 0.39 0.24 -0.01 0.00 1.08 0.00 0.00 40.66 42.36 2bj4 h LEU 525 CO 0.04 -0.09 -0.35 0.22 -1.08 0.00 0.00 178.44 177.18 2bj4 h TYR 526 N 0.14 0.07 -0.42 1.13 5.03 -0.72 -2.58 116.97 119.62 2bj4 h TYR 526 Ca 0.32 -0.01 -0.14 0.00 2.58 0.00 0.00 58.73 61.48 2bj4 h TYR 526 Cb 0.51 -0.02 -0.01 0.00 1.55 0.00 0.00 36.73 38.77 2bj4 h TYR 526 CO -0.34 0.40 -0.28 0.66 -1.32 0.00 0.00 178.16 177.28 2bj4 h SER 527 N 0.05 0.95 -0.15 -2.11 4.64 0.27 -3.19 113.55 114.01 2bj4 h SER 527 Ca 0.00 -0.38 0.00 0.00 -0.47 0.00 0.00 61.79 60.94 2bj4 h SER 527 Cb 0.65 -0.26 0.00 0.00 -0.31 0.00 0.00 62.40 62.48 2bj4 h SER 527 CO 0.05 1.16 0.00 1.15 -0.87 0.00 0.00 176.83 178.32 2bj4 n MET 528 N -4.09 1.49 0.00 4.77 0.00 -0.61 -5.10 117.12 113.58 2bj4 n MET 528 Ca -0.01 -0.75 0.00 0.00 0.00 0.00 0.00 57.70 56.94 2bj4 n MET 528 Cb 0.49 -1.29 0.00 0.00 0.00 0.00 0.00 33.22 32.41 2bj4 n MET 528 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 175.97 177.60