#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qab h LEU 306 N 0.00 0.00 -0.86 -3.43 8.10 -2.04 0.20 115.31 117.28 2qab h LEU 306 Ca 0.00 0.00 -0.11 0.00 0.11 0.00 0.00 57.88 57.88 2qab h LEU 306 Cb 0.00 0.00 -0.01 0.00 -0.44 0.00 0.00 40.66 40.21 2qab h LEU 306 CO 0.00 0.00 -0.39 0.00 -4.11 0.00 0.00 178.44 173.94 2qab h ALA 307 N 1.02 1.03 0.00 0.17 0.00 -1.99 -2.30 119.26 117.20 2qab h ALA 307 Ca 0.22 -0.41 0.00 0.00 0.00 0.00 0.00 54.91 54.72 2qab h ALA 307 Cb 1.63 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 19.32 2qab h ALA 307 CO -0.00 0.60 0.00 -0.07 0.00 0.00 0.00 179.25 179.78 2qab h LEU 308 N 0.31 0.00 -2.26 0.00 3.38 -1.01 -2.76 115.31 112.96 2qab h LEU 308 Ca 0.03 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.00 2qab h LEU 308 Cb 0.83 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.58 2qab h LEU 308 CO 0.07 0.00 0.00 -1.20 0.09 0.00 0.00 178.44 177.40 2qab n SER 309 N -2.82 3.30 -4.79 -0.43 7.64 -0.87 -4.95 113.62 110.71 2qab n SER 309 Ca 0.00 -1.99 -0.36 0.00 1.01 0.00 0.00 58.87 57.53 2qab n SER 309 Cb 0.23 -0.39 -0.06 0.00 -1.01 0.00 0.00 64.21 62.98 2qab n SER 309 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 2qab s LEU 310 N -1.07 4.26 0.92 -3.43 1.43 -1.04 -5.07 118.68 114.68 2qab s LEU 310 Ca 0.41 1.83 -0.14 0.00 -1.03 0.00 0.00 54.13 55.20 2qab s LEU 310 Cb 0.22 -4.11 0.15 0.00 0.03 0.00 0.00 46.19 42.47 2qab s LEU 310 CO 0.29 -0.14 1.19 0.42 0.23 0.00 0.00 176.35 178.33 2qab s THR 311 N -1.71 1.96 0.16 5.49 -4.23 -1.26 -4.86 115.64 111.20 2qab s THR 311 Ca 0.53 0.00 -0.15 0.00 -1.18 0.00 0.00 61.69 60.89 2qab s THR 311 Cb -0.17 -2.85 0.04 0.00 1.34 0.00 0.00 72.50 70.86 2qab s THR 311 CO 0.22 0.00 1.81 0.00 -0.54 0.00 0.00 174.62 176.11 2qab h ALA 312 N -1.50 0.61 -0.47 3.99 0.00 -1.94 -1.13 119.26 118.83 2qab h ALA 312 Ca -0.47 -0.05 -0.05 0.00 0.00 0.00 0.00 54.91 54.33 2qab h ALA 312 Cb 1.31 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.88 2qab h ALA 312 CO 0.55 0.09 0.09 -0.44 0.00 0.00 0.00 179.25 179.54 2qab h ASP 313 N 0.64 0.67 0.01 0.00 3.32 -1.96 -1.27 116.42 117.83 2qab h ASP 313 Ca 0.17 -0.12 -0.14 0.00 0.02 0.00 0.00 57.03 56.97 2qab h ASP 313 Cb -0.03 -0.17 -0.01 0.00 0.22 0.00 0.00 39.33 39.34 2qab h ASP 313 CO -0.03 0.68 -0.45 1.56 -1.72 0.00 0.00 179.24 179.28 2qab h GLN 314 N 0.69 0.53 -0.10 3.56 4.20 -1.88 -1.97 115.11 120.14 2qab h GLN 314 Ca 0.15 -0.29 -0.01 0.00 0.06 0.00 0.00 58.65 58.57 2qab h GLN 314 Cb 0.30 0.01 -0.00 0.00 0.30 0.00 0.00 27.48 28.09 2qab h GLN 314 CO 0.00 0.87 0.04 1.98 -0.67 0.00 0.00 178.83 181.05 2qab h MET 315 N 0.43 0.15 -0.38 1.46 4.05 -0.70 -1.66 114.93 118.28 2qab h MET 315 Ca 0.03 -0.03 -0.00 0.00 -0.28 0.00 0.00 59.70 59.42 2qab h MET 315 Cb 0.95 -0.02 -0.02 0.00 -0.80 0.00 0.00 31.60 31.71 2qab h MET 315 CO 0.08 0.28 0.23 0.28 0.23 0.00 0.00 176.91 178.02 2qab h VAL 316 N -0.00 1.12 -0.70 -5.77 2.07 -1.23 -1.22 116.25 110.52 2qab h VAL 316 Ca 0.03 -0.28 -0.05 0.00 0.82 0.00 0.00 66.70 67.22 2qab h VAL 316 Cb 0.19 0.63 -0.03 0.00 -1.52 0.00 0.00 31.29 30.55 2qab h VAL 316 CO -0.00 0.12 0.23 -1.28 0.02 0.00 0.00 177.57 176.66 2qab h SER 317 N 0.50 1.01 -0.30 0.57 0.87 -1.36 0.06 113.55 114.91 2qab h SER 317 Ca 0.14 -0.20 -0.03 0.00 -1.23 0.00 0.00 61.79 60.47 2qab h SER 317 Cb 0.00 -0.27 -0.01 0.00 -0.44 0.00 0.00 62.40 61.68 2qab h SER 317 CO -0.03 0.95 0.08 0.00 -0.53 0.00 0.00 176.83 177.30 2qab h ALA 318 N 1.11 0.39 -0.65 6.23 0.00 -1.15 -1.70 119.26 123.50 2qab h ALA 318 Ca 0.23 -0.17 -0.01 0.00 0.00 0.00 0.00 54.91 54.96 2qab h ALA 318 Cb 0.29 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 17.93 2qab h ALA 318 CO -0.01 0.05 0.35 -0.07 0.00 0.00 0.00 179.25 179.56 2qab h LEU 319 N 0.32 0.82 -0.64 0.00 3.38 -1.02 -1.99 115.31 116.17 2qab h LEU 319 Ca 0.09 -0.10 -0.02 0.00 0.09 0.00 0.00 57.88 57.94 2qab h LEU 319 Cb 0.28 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 40.79 2qab h LEU 319 CO -0.00 0.69 0.32 -0.07 0.09 0.00 0.00 178.44 179.47 2qab h LEU 320 N 0.89 0.83 -1.50 1.67 3.38 -0.91 -2.75 115.31 116.92 2qab h LEU 320 Ca 0.23 -0.12 -0.02 0.00 0.09 0.00 0.00 57.88 58.05 2qab h LEU 320 Cb 0.06 -0.21 -0.00 0.00 0.09 0.00 0.00 40.66 40.59 2qab h LEU 320 CO -0.03 0.71 -0.12 0.44 0.09 0.00 0.00 178.44 179.53 2qab h ASP 321 N 0.88 0.00 1.32 -0.43 5.19 -1.02 -2.71 116.42 119.65 2qab h ASP 321 Ca 0.22 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.63 2qab h ASP 321 Cb 0.10 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.61 2qab h ASP 321 CO -0.03 0.12 0.00 0.00 -3.12 0.00 0.00 179.24 176.21 2qab n ALA 322 N -2.18 2.27 -1.66 3.45 0.00 -0.77 -4.92 120.51 116.70 2qab n ALA 322 Ca -0.00 -0.04 -0.50 0.00 0.00 0.00 0.00 53.44 52.90 2qab n ALA 322 Cb 0.33 -1.47 -0.05 0.00 0.00 0.00 0.00 19.45 18.26 2qab n ALA 322 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 2qab n GLU 323 N -2.05 1.79 -1.15 0.00 -0.58 -1.03 -4.63 120.64 113.00 2qab n GLU 323 Ca 0.06 0.65 -0.30 0.00 -0.42 0.00 0.00 57.16 57.14 2qab n GLU 323 Cb 0.40 -2.40 0.12 0.00 -0.57 0.00 0.00 31.44 28.99 2qab n GLU 323 CO 0.00 0.00 0.00 -1.25 -0.48 0.00 0.00 177.13 175.40 2qab s PRO 324 N 1.99 1.64 0.72 3.49 0.04 -1.26 -5.02 135.00 136.60 2qab s PRO 324 Ca 0.86 1.08 -0.11 0.00 0.04 0.00 0.00 61.00 62.87 2qab s PRO 324 Cb -0.80 -1.83 0.02 0.00 0.04 0.00 0.00 34.50 31.93 2qab s PRO 324 CO 0.47 -2.05 1.07 -1.25 0.04 0.00 0.00 177.00 175.28 2qab s PRO 325 N -4.87 2.76 -0.30 0.56 0.04 -1.26 -5.01 135.00 126.91 2qab s PRO 325 Ca 0.63 0.88 -0.25 0.00 0.04 0.00 0.00 61.00 62.30 2qab s PRO 325 Cb -0.18 -1.98 0.00 0.00 0.04 0.00 0.00 34.50 32.39 2qab s PRO 325 CO 0.57 -1.21 0.88 0.42 0.04 0.00 0.00 177.00 177.70 2qab s ILE 326 N -3.07 4.72 0.50 0.56 1.01 -1.26 -5.04 121.20 118.62 2qab s ILE 326 Ca 0.59 1.40 -0.04 0.00 0.00 0.00 0.00 60.65 62.59 2qab s ILE 326 Cb -0.14 -4.22 -0.02 0.00 0.01 0.00 0.00 42.46 38.09 2qab s ILE 326 CO 0.55 -0.29 0.79 -0.76 0.00 0.00 0.00 174.94 175.23 2qab s LEU 327 N 3.13 3.53 0.05 2.97 1.43 -1.26 -5.00 118.68 123.54 2qab s LEU 327 Ca 0.36 0.73 0.00 0.00 -1.03 0.00 0.00 54.13 54.20 2qab s LEU 327 Cb -0.14 -3.63 -0.04 0.00 0.03 0.00 0.00 46.19 42.41 2qab s LEU 327 CO 0.12 -0.73 0.18 -0.31 0.23 0.00 0.00 176.35 175.84 2qab s TYR 328 N -2.76 3.46 0.62 0.29 1.51 -1.26 -4.28 117.35 114.92 2qab s TYR 328 Ca 0.49 0.23 -0.07 0.00 -1.01 0.00 0.00 57.07 56.72 2qab s TYR 328 Cb -0.10 -1.75 0.02 0.00 -0.11 0.00 0.00 41.96 40.02 2qab s TYR 328 CO 0.43 0.58 0.94 -1.54 -1.11 0.00 0.00 175.55 174.86 2qab s SER 329 N -2.38 5.47 -0.37 2.29 1.04 -1.26 -4.93 113.70 113.56 2qab s SER 329 Ca 0.33 0.73 -0.00 0.00 0.48 0.00 0.00 55.95 57.48 2qab s SER 329 Cb -0.13 -1.66 0.30 0.00 0.10 0.00 0.00 66.02 64.64 2qab s SER 329 CO 0.25 -1.17 1.91 -1.84 0.98 0.00 0.00 173.24 173.38 2qab n GLU 330 N -2.68 1.95 -2.10 4.02 0.28 -1.26 -4.96 120.64 115.90 2qab n GLU 330 Ca 0.05 -1.94 -0.42 0.00 -0.16 0.00 0.00 57.16 54.69 2qab n GLU 330 Cb 0.58 -1.76 -0.03 0.00 1.43 0.00 0.00 31.44 31.66 2qab n GLU 330 CO 0.00 0.00 0.00 -0.47 -0.16 0.00 0.00 177.13 176.50 2qab s TYR 331 N -2.23 2.15 -0.54 -1.84 6.14 -1.26 -4.98 117.35 114.79 2qab s TYR 331 Ca 0.38 0.39 -0.20 0.00 0.64 0.00 0.00 57.07 58.28 2qab s TYR 331 Cb 0.30 -3.85 0.06 0.00 0.42 0.00 0.00 41.96 38.90 2qab s TYR 331 CO 0.01 -3.33 0.72 0.34 0.64 0.00 0.00 175.55 173.94 2qab s ASP 332 N 3.24 6.23 0.00 4.32 3.68 -1.26 -4.94 116.67 127.95 2qab s ASP 332 Ca 0.70 -0.92 0.21 0.00 2.13 0.00 0.00 52.55 54.67 2qab s ASP 332 Cb -0.30 -2.33 1.10 0.00 -1.45 0.00 0.00 42.92 39.95 2qab s ASP 332 CO 0.27 -1.04 1.68 -0.81 0.13 0.00 0.00 175.17 175.40 2qab n PRO 333 N 6.55 0.36 -1.95 4.34 -0.04 -1.26 -1.86 135.00 141.13 2qab n PRO 333 Ca -0.05 0.07 -0.28 0.00 -0.04 0.00 0.00 63.50 63.20 2qab n PRO 333 Cb 0.45 -1.50 0.03 0.00 -0.04 0.00 0.00 33.50 32.44 2qab n PRO 333 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 2qab n THR 334 N -1.24 2.81 -3.94 0.52 -2.24 -1.26 -4.97 114.28 103.96 2qab n THR 334 Ca 0.11 -4.09 -0.13 0.00 -2.27 0.00 0.00 64.05 57.67 2qab n THR 334 Cb 0.15 -1.18 -0.14 0.00 -2.10 0.00 0.00 70.33 67.07 2qab n THR 334 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 2qab s ARG 335 N -3.67 0.11 0.07 -0.78 0.52 -0.78 -5.14 118.95 109.28 2qab s ARG 335 Ca 0.53 -0.04 -0.31 0.00 -0.52 0.00 0.00 55.73 55.40 2qab s ARG 335 Cb 0.43 -0.12 -0.06 0.00 0.52 0.00 0.00 34.95 35.72 2qab s ARG 335 CO -0.05 0.02 1.23 -1.25 0.02 0.00 0.00 175.30 175.27 2qab s PRO 336 N 0.03 4.41 0.36 3.54 0.04 -1.26 -4.96 135.00 137.16 2qab s PRO 336 Ca -0.00 1.81 -0.28 0.00 0.04 0.00 0.00 61.00 62.58 2qab s PRO 336 Cb -0.01 -3.34 -0.12 0.00 0.04 0.00 0.00 34.50 31.07 2qab s PRO 336 CO -0.00 -0.29 1.33 1.19 0.04 0.00 0.00 177.00 179.27 2qab n PHE 337 N 3.95 2.41 -4.56 0.56 0.99 -1.26 -5.00 117.46 114.55 2qab n PHE 337 Ca 0.09 0.53 -0.26 0.00 -0.00 0.00 0.00 57.45 57.81 2qab n PHE 337 Cb 0.46 -2.43 -0.10 0.00 -1.00 0.00 0.00 39.48 36.41 2qab n PHE 337 CO 0.00 0.00 0.00 -1.54 -0.00 0.00 0.00 176.76 175.22 2qab s SER 338 N -0.30 3.14 0.15 4.37 1.04 -1.26 -4.99 113.70 115.86 2qab s SER 338 Ca 0.55 -1.49 -0.17 0.00 0.48 0.00 0.00 55.95 55.32 2qab s SER 338 Cb -0.54 0.09 0.03 0.00 0.10 0.00 0.00 66.02 65.70 2qab s SER 338 CO 0.62 -0.69 1.75 -0.08 0.98 0.00 0.00 173.24 175.82 2qab h GLU 339 N 1.82 0.24 -0.83 4.02 4.81 -1.97 -1.07 114.58 121.61 2qab h GLU 339 Ca -0.41 -0.01 -0.03 0.00 -0.13 0.00 0.00 59.36 58.78 2qab h GLU 339 Cb 1.26 -0.06 -0.04 0.00 0.63 0.00 0.00 28.75 30.55 2qab h GLU 339 CO 0.70 0.16 0.41 0.00 -0.73 0.00 0.00 179.01 179.55 2qab h ALA 340 N 1.20 1.07 0.01 2.92 0.00 -1.90 -1.56 119.26 121.01 2qab h ALA 340 Ca 0.14 -0.16 -0.26 0.00 0.00 0.00 0.00 54.91 54.64 2qab h ALA 340 Cb 0.11 -0.33 0.02 0.00 0.00 0.00 0.00 17.79 17.59 2qab h ALA 340 CO -0.15 0.63 -1.03 0.66 0.00 0.00 0.00 179.25 179.36 2qab h SER 341 N 1.18 0.77 -0.37 0.00 4.64 -1.84 -0.89 113.55 117.03 2qab h SER 341 Ca 0.29 -0.63 -0.05 0.00 -0.47 0.00 0.00 61.79 60.93 2qab h SER 341 Cb 0.11 -0.24 -0.01 0.00 -0.31 0.00 0.00 62.40 61.94 2qab h SER 341 CO -0.04 1.43 0.05 -0.03 -0.87 0.00 0.00 176.83 177.38 2qab h MET 342 N 0.32 0.62 -0.73 4.77 -1.53 -1.15 -1.54 114.93 115.69 2qab h MET 342 Ca -0.12 -0.17 0.01 0.00 -3.44 0.00 0.00 59.70 55.98 2qab h MET 342 Cb 1.68 -0.07 -0.04 0.00 -0.55 0.00 0.00 31.60 32.63 2qab h MET 342 CO 0.19 0.69 0.49 0.52 0.14 0.00 0.00 176.91 178.94 2qab h MET 343 N 0.46 0.94 -0.32 0.39 2.07 -1.25 -2.17 114.93 115.04 2qab h MET 343 Ca 0.11 -0.06 0.00 0.00 -2.07 0.00 0.00 59.70 57.69 2qab h MET 343 Cb 0.38 -0.21 -0.02 0.00 -1.87 0.00 0.00 31.60 29.88 2qab h MET 343 CO 0.01 0.62 0.20 0.78 1.07 0.00 0.00 176.91 179.59 2qab h GLY 344 N 0.97 0.46 0.76 8.32 0.00 -0.76 -1.09 103.07 111.73 2qab h GLY 344 Ca 0.28 -0.18 0.04 0.00 0.00 0.00 0.00 47.33 47.46 2qab h GLY 344 CO -0.07 0.18 0.18 1.41 0.00 0.00 0.00 176.54 178.24 2qab h LEU 345 N 0.43 0.25 -0.49 3.11 3.38 -0.91 0.26 115.31 121.34 2qab h LEU 345 Ca 0.12 0.03 -0.08 0.00 0.09 0.00 0.00 57.88 58.03 2qab h LEU 345 Cb -0.02 -0.02 -0.02 0.00 0.09 0.00 0.00 40.66 40.69 2qab h LEU 345 CO -0.02 0.18 -0.01 -0.07 0.09 0.00 0.00 178.44 178.61 2qab h LEU 346 N 0.37 0.85 -0.29 1.67 3.38 -1.21 -1.71 115.31 118.38 2qab h LEU 346 Ca 0.17 -0.31 -0.18 0.00 0.09 0.00 0.00 57.88 57.65 2qab h LEU 346 Cb 0.10 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 40.60 2qab h LEU 346 CO -0.14 0.96 -0.86 0.71 0.09 0.00 0.00 178.44 179.21 2qab h THR 347 N 0.72 1.61 -0.06 0.22 1.35 -1.02 -1.49 112.91 114.25 2qab h THR 347 Ca 0.14 -2.93 -0.00 0.00 -0.55 0.00 0.00 66.41 63.06 2qab h THR 347 Cb 0.53 2.58 -0.00 0.00 -1.73 0.00 0.00 68.15 69.53 2qab h THR 347 CO 0.03 0.84 0.03 -1.13 -0.25 0.00 0.00 175.52 175.03 2qab h ASN 348 N 0.00 0.09 0.01 5.36 -1.24 -0.43 -2.02 115.58 117.35 2qab h ASN 348 Ca -0.01 -0.16 0.03 0.00 0.71 0.00 0.00 56.30 56.87 2qab h ASN 348 Cb 1.51 -0.02 -0.04 0.00 0.73 0.00 0.00 38.32 40.50 2qab h ASN 348 CO 0.11 0.22 -0.23 0.25 -1.29 0.00 0.00 177.43 176.49 2qab h LEU 349 N -0.05 -0.69 -0.68 0.34 5.85 -1.31 -2.39 115.31 116.37 2qab h LEU 349 Ca 0.02 0.09 0.10 0.00 0.84 0.00 0.00 57.88 58.94 2qab h LEU 349 Cb 0.16 0.28 -0.08 0.00 0.37 0.00 0.00 40.66 41.40 2qab h LEU 349 CO -0.00 -0.30 0.30 0.00 -0.34 0.00 0.00 178.44 178.10 2qab h ALA 350 N 0.47 0.93 -0.84 1.25 0.00 -1.29 0.66 119.26 120.44 2qab h ALA 350 Ca 0.06 0.08 0.01 0.00 0.00 0.00 0.00 54.91 55.05 2qab h ALA 350 Cb 0.45 0.01 -0.04 0.00 0.00 0.00 0.00 17.79 18.21 2qab h ALA 350 CO -0.21 -0.13 0.55 0.22 0.00 0.00 0.00 179.25 179.69 2qab h ASP 351 N 0.51 0.97 0.37 0.00 3.58 -1.09 0.69 116.42 121.45 2qab h ASP 351 Ca 0.35 -0.03 -0.18 0.00 0.42 0.00 0.00 57.03 57.59 2qab h ASP 351 Cb 0.42 -0.24 -0.01 0.00 1.72 0.00 0.00 39.33 41.22 2qab h ASP 351 CO -0.31 0.70 -0.75 0.03 -2.88 0.00 0.00 179.24 176.04 2qab h ARG 352 N 1.14 0.31 -0.25 0.28 3.08 -0.86 -3.19 114.38 114.89 2qab h ARG 352 Ca 0.31 -0.26 -0.11 0.00 0.07 0.00 0.00 59.98 59.98 2qab h ARG 352 Cb -0.13 0.06 -0.01 0.00 0.08 0.00 0.00 29.97 29.97 2qab h ARG 352 CO -0.07 0.92 -0.32 0.93 -1.07 0.00 0.00 179.97 180.37 2qab h GLU 353 N 0.20 0.51 -0.77 0.04 5.08 -0.29 -3.08 114.58 116.27 2qab h GLU 353 Ca -0.03 -0.22 0.07 0.00 -1.00 0.00 0.00 59.36 58.17 2qab h GLU 353 Cb 1.32 -0.02 -0.06 0.00 0.50 0.00 0.00 28.75 30.49 2qab h GLU 353 CO 0.12 0.77 0.45 -0.07 -1.00 0.00 0.00 179.01 179.28 2qab h LEU 354 N 0.44 0.69 -0.79 1.33 3.38 -0.86 0.91 115.31 120.40 2qab h LEU 354 Ca 0.05 0.03 -0.02 0.00 0.09 0.00 0.00 57.88 58.03 2qab h LEU 354 Cb 0.77 -0.11 -0.04 0.00 0.09 0.00 0.00 40.66 41.37 2qab h LEU 354 CO 0.06 0.44 0.42 0.58 0.09 0.00 0.00 178.44 180.03 2qab h VAL 355 N 0.82 1.24 -0.14 1.22 2.07 -1.60 -1.80 116.25 118.06 2qab h VAL 355 Ca 0.35 -0.61 -0.11 0.00 0.82 0.00 0.00 66.70 67.15 2qab h VAL 355 Cb 0.21 0.19 -0.01 0.00 -1.52 0.00 0.00 31.29 30.16 2qab h VAL 355 CO -0.19 0.27 -0.38 0.45 0.02 0.00 0.00 177.57 177.74 2qab h HIS 356 N 1.10 0.36 -0.78 1.57 3.86 -1.42 -3.01 115.15 116.84 2qab h HIS 356 Ca 0.28 -0.09 -0.05 0.00 -1.16 0.00 0.00 60.37 59.34 2qab h HIS 356 Cb 0.05 -0.08 -0.03 0.00 1.06 0.00 0.00 27.41 28.40 2qab h HIS 356 CO 0.00 0.65 0.29 1.98 0.86 0.00 0.00 177.93 181.72 2qab h MET 357 N 0.26 1.18 -0.77 2.45 -1.53 -0.35 -1.51 114.93 114.66 2qab h MET 357 Ca 0.03 -0.22 -0.03 0.00 -3.44 0.00 0.00 59.70 56.03 2qab h MET 357 Cb 0.79 -0.19 -0.03 0.00 -0.55 0.00 0.00 31.60 31.62 2qab h MET 357 CO 0.06 0.96 0.35 0.82 0.14 0.00 0.00 176.91 179.24 2qab h ILE 358 N 1.14 1.25 0.00 1.77 2.04 -1.20 0.17 117.51 122.67 2qab h ILE 358 Ca 0.26 -0.73 -0.14 0.00 1.00 0.00 0.00 64.86 65.25 2qab h ILE 358 Cb 0.24 0.30 -0.02 0.00 -0.74 0.00 0.00 36.82 36.60 2qab h ILE 358 CO -0.02 0.30 -0.68 0.78 0.00 0.00 0.00 178.15 178.54 2qab h ASN 359 N 1.09 0.00 -0.16 1.72 2.35 -1.45 -2.30 115.58 116.84 2qab h ASN 359 Ca 0.26 0.00 -0.01 0.00 -0.55 0.00 0.00 56.30 56.00 2qab h ASN 359 Cb 0.15 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.51 2qab h ASN 359 CO -0.03 0.68 0.06 -0.25 -1.65 0.00 0.00 177.43 176.24 2qab h TRP 360 N 0.00 0.24 -0.75 1.19 7.01 -0.89 -3.09 115.95 119.66 2qab h TRP 360 Ca -0.01 -0.02 0.05 0.00 2.11 0.00 0.00 58.89 61.03 2qab h TRP 360 Cb 1.20 -0.07 -0.05 0.00 -2.10 0.00 0.00 29.16 28.13 2qab h TRP 360 CO 0.00 0.32 0.45 0.00 -2.79 0.00 0.00 178.44 176.42 2qab h ALA 361 N 0.90 1.01 -0.01 2.65 0.00 -0.46 0.31 119.26 123.65 2qab h ALA 361 Ca 0.05 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.96 2qab h ALA 361 Cb 0.18 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 17.78 2qab h ALA 361 CO -0.00 0.18 0.02 0.87 0.00 0.00 0.00 179.25 180.32 2qab h LYS 362 N 0.84 0.00 -0.01 0.00 1.57 -1.39 -2.09 116.57 115.50 2qab h LYS 362 Ca 0.32 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.10 2qab h LYS 362 Cb 0.13 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.44 2qab h LYS 362 CO -0.16 0.00 -0.46 0.54 -0.57 0.00 0.00 179.45 178.81 2qab n ARG 363 N -3.47 0.75 -2.55 3.15 1.74 0.10 -4.54 116.66 111.85 2qab n ARG 363 Ca -0.03 -0.54 -0.43 0.00 -0.77 0.00 0.00 57.85 56.09 2qab n ARG 363 Cb 0.10 -1.49 -0.02 0.00 -1.02 0.00 0.00 32.46 30.03 2qab n ARG 363 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 2qab s VAL 364 N -2.62 4.48 0.19 1.55 1.01 -0.79 -4.83 120.40 119.40 2qab s VAL 364 Ca 0.19 1.79 -0.32 0.00 0.00 0.00 0.00 61.98 63.63 2qab s VAL 364 Cb 0.18 -4.15 -0.15 0.00 0.00 0.00 0.00 36.38 32.26 2qab s VAL 364 CO 0.60 -0.12 1.23 -2.65 0.00 0.00 0.00 175.10 174.16 2qab n PRO 365 N 6.12 1.41 0.00 2.72 -0.02 -1.26 -1.40 135.00 142.58 2qab n PRO 365 Ca 0.12 0.50 0.00 0.00 -2.02 0.00 0.00 63.50 62.10 2qab n PRO 365 Cb 0.46 -2.04 0.00 0.00 -0.02 0.00 0.00 33.50 31.90 2qab n PRO 365 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2qab n GLY 366 N 2.04 2.94 0.29 -1.23 0.00 -1.26 -4.87 105.19 103.10 2qab n GLY 366 Ca 0.14 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.12 2qab n GLY 366 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 2qab h PHE 367 N 0.00 0.83 0.00 1.61 3.57 -1.51 -1.88 116.94 119.56 2qab h PHE 367 Ca 0.00 -0.11 0.00 0.00 3.53 0.00 0.00 57.97 61.39 2qab h PHE 367 Cb 0.00 -0.23 0.00 0.00 2.79 0.00 0.00 35.95 38.51 2qab h PHE 367 CO 0.00 0.76 0.00 1.33 -2.23 0.00 0.00 178.31 178.17 2qab n VAL 368 N -4.22 0.10 0.13 1.41 0.24 -1.26 -2.90 118.33 111.82 2qab n VAL 368 Ca 0.03 0.02 0.00 0.00 -2.04 0.00 0.00 64.34 62.35 2qab n VAL 368 Cb 0.29 -0.57 0.04 0.00 -1.47 0.00 0.00 33.84 32.14 2qab n VAL 368 CO 0.00 0.00 0.00 0.44 -2.14 0.00 0.00 176.83 175.13 2qab h ASP 369 N 0.00 0.00 -4.32 -1.34 3.32 -1.72 -3.46 116.42 108.91 2qab h ASP 369 Ca 0.00 0.00 -0.51 0.00 0.02 0.00 0.00 57.03 56.54 2qab h ASP 369 Cb 0.28 0.00 0.12 0.00 0.22 0.00 0.00 39.33 39.94 2qab h ASP 369 CO 0.00 0.63 0.34 -0.76 -1.72 0.00 0.00 179.24 177.72 2qab s LEU 370 N -6.69 3.04 1.03 1.55 1.43 -1.14 -5.03 118.68 112.86 2qab s LEU 370 Ca 0.02 1.73 -0.12 0.00 -1.03 0.00 0.00 54.13 54.73 2qab s LEU 370 Cb 0.09 -4.48 0.21 0.00 0.03 0.00 0.00 46.19 42.03 2qab s LEU 370 CO 0.76 -1.83 1.07 0.42 0.23 0.00 0.00 176.35 177.01 2qab s THR 371 N -2.96 2.21 0.14 5.49 -4.23 -1.26 -4.82 115.64 110.21 2qab s THR 371 Ca 0.60 0.07 -0.12 0.00 -1.18 0.00 0.00 61.69 61.06 2qab s THR 371 Cb -0.16 -2.30 -0.03 0.00 1.34 0.00 0.00 72.50 71.35 2qab s THR 371 CO 0.56 -0.09 1.50 0.25 -0.54 0.00 0.00 174.62 176.30 2qab h LEU 372 N -2.11 0.93 -0.75 4.79 5.85 -1.97 -1.55 115.31 120.50 2qab h LEU 372 Ca -0.54 -0.42 0.10 0.00 0.84 0.00 0.00 57.88 57.86 2qab h LEU 372 Cb 1.31 -0.26 -0.08 0.00 0.37 0.00 0.00 40.66 42.01 2qab h LEU 372 CO 0.51 1.15 0.38 -0.74 -0.34 0.00 0.00 178.44 179.40 2qab h HIS 373 N 0.71 0.69 0.07 1.25 2.76 -2.00 -1.36 115.15 117.27 2qab h HIS 373 Ca 0.08 0.03 -0.28 0.00 -2.20 0.00 0.00 60.37 58.01 2qab h HIS 373 Cb 0.83 -0.19 0.02 0.00 1.55 0.00 0.00 27.41 29.61 2qab h HIS 373 CO 0.06 0.24 -1.14 -0.44 -1.30 0.00 0.00 177.93 175.35 2qab h ASP 374 N 0.63 0.81 -0.82 3.26 3.32 -1.89 -1.87 116.42 119.85 2qab h ASP 374 Ca 0.38 -0.70 0.08 0.00 0.02 0.00 0.00 57.03 56.80 2qab h ASP 374 Cb 0.41 -0.25 -0.07 0.00 0.22 0.00 0.00 39.33 39.64 2qab h ASP 374 CO -0.28 1.51 0.48 1.56 -1.72 0.00 0.00 179.24 180.79 2qab h GLN 375 N 0.29 0.81 -0.01 3.56 4.20 -1.16 -0.71 115.11 122.10 2qab h GLN 375 Ca -0.15 -0.05 -0.00 0.00 0.06 0.00 0.00 58.65 58.51 2qab h GLN 375 Cb 1.80 -0.18 -0.00 0.00 0.30 0.00 0.00 27.48 29.40 2qab h GLN 375 CO 0.21 0.54 0.00 0.28 -0.67 0.00 0.00 178.83 179.19 2qab h VAL 376 N 0.83 1.12 -0.65 -0.54 2.07 -1.11 -1.67 116.25 116.30 2qab h VAL 376 Ca 0.39 -0.34 0.02 0.00 0.82 0.00 0.00 66.70 67.58 2qab h VAL 376 Cb 0.30 1.34 -0.04 0.00 -1.52 0.00 0.00 31.29 31.37 2qab h VAL 376 CO -0.22 0.09 0.42 -0.74 0.02 0.00 0.00 177.57 177.14 2qab h HIS 377 N -0.13 0.79 -0.03 1.57 -0.00 -0.99 0.14 115.15 116.50 2qab h HIS 377 Ca 0.00 0.02 0.01 0.00 -0.00 0.00 0.00 60.37 60.40 2qab h HIS 377 Cb 0.14 -0.26 -0.01 0.00 -0.00 0.00 0.00 27.41 27.28 2qab h HIS 377 CO -0.03 0.48 -0.02 -0.07 -0.00 0.00 0.00 177.93 178.29 2qab h LEU 378 N 0.84 -0.05 -0.62 0.26 3.38 -1.06 0.99 115.31 119.05 2qab h LEU 378 Ca 0.25 0.01 -0.12 0.00 0.09 0.00 0.00 57.88 58.11 2qab h LEU 378 Cb -0.05 0.03 -0.02 0.00 0.09 0.00 0.00 40.66 40.71 2qab h LEU 378 CO -0.07 -0.02 -0.17 -0.07 0.09 0.00 0.00 178.44 178.19 2qab h LEU 379 N -0.02 0.91 -1.10 1.67 3.38 -1.04 -1.29 115.31 117.83 2qab h LEU 379 Ca 0.02 -0.32 0.02 0.00 0.09 0.00 0.00 57.88 57.69 2qab h LEU 379 Cb 0.04 -0.25 -0.05 0.00 0.09 0.00 0.00 40.66 40.50 2qab h LEU 379 CO -0.04 1.07 0.61 -0.33 0.09 0.00 0.00 178.44 179.84 2qab h GLU 380 N 0.79 1.16 -0.18 1.13 5.08 -0.58 0.47 114.58 122.45 2qab h GLU 380 Ca 0.11 -0.07 -0.21 0.00 -1.00 0.00 0.00 59.36 58.19 2qab h GLU 380 Cb 0.72 -0.26 0.01 0.00 0.50 0.00 0.00 28.75 29.71 2qab h GLU 380 CO 0.05 0.77 -0.71 0.00 -1.00 0.00 0.00 179.01 178.12 2qab n ALA 382 N -2.60 2.89 -0.25 0.00 0.00 -0.51 -4.70 120.51 115.34 2qab n ALA 382 Ca -0.07 -0.60 0.04 0.00 0.00 0.00 0.00 53.44 52.81 2qab n ALA 382 Cb 0.71 -0.62 0.17 0.00 0.00 0.00 0.00 19.45 19.72 2qab n ALA 382 CO 0.00 0.00 0.00 0.11 0.00 0.00 0.00 177.50 177.61 2qab h TRP 383 N 2.73 0.52 0.01 0.00 5.08 -1.09 -1.13 115.95 122.06 2qab h TRP 383 Ca 0.00 0.03 -0.23 0.00 1.08 0.00 0.00 58.89 59.78 2qab h TRP 383 Cb 0.68 -0.12 0.00 0.00 -3.00 0.00 0.00 29.16 26.72 2qab h TRP 383 CO 0.00 0.09 -0.95 1.25 -1.28 0.00 0.00 178.44 177.54 2qab h LEU 384 N 0.46 0.53 -0.54 0.11 5.85 -1.86 -1.81 115.31 118.05 2qab h LEU 384 Ca 0.40 -0.43 0.07 0.00 0.84 0.00 0.00 57.88 58.76 2qab h LEU 384 Cb 0.58 -0.16 -0.06 0.00 0.37 0.00 0.00 40.66 41.39 2qab h LEU 384 CO -0.38 1.23 0.22 -0.33 -0.34 0.00 0.00 178.44 178.84 2qab h GLU 385 N 0.22 0.41 -0.32 1.25 5.08 -1.69 -0.61 114.58 118.93 2qab h GLU 385 Ca -0.08 -0.02 -0.02 0.00 -1.00 0.00 0.00 59.36 58.24 2qab h GLU 385 Cb 1.59 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 30.74 2qab h GLU 385 CO 0.16 0.27 0.13 0.82 -1.00 0.00 0.00 179.01 179.39 2qab h ILE 386 N 0.42 1.18 -0.67 3.13 2.04 -1.12 -0.85 117.51 121.65 2qab h ILE 386 Ca 0.25 -0.56 -0.01 0.00 1.00 0.00 0.00 64.86 65.55 2qab h ILE 386 Cb 0.25 0.96 -0.03 0.00 -0.74 0.00 0.00 36.82 37.26 2qab h ILE 386 CO -0.23 0.20 0.40 -0.07 0.00 0.00 0.00 178.15 178.44 2qab h LEU 387 N 0.36 0.81 -0.48 1.44 3.38 -1.17 -1.82 115.31 117.84 2qab h LEU 387 Ca 0.11 -0.07 -0.13 0.00 0.09 0.00 0.00 57.88 57.88 2qab h LEU 387 Cb 0.19 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.72 2qab h LEU 387 CO -0.01 0.64 -0.21 0.24 0.09 0.00 0.00 178.44 179.19 2qab h MET 388 N 0.91 0.98 -0.28 1.13 2.86 -0.96 -1.14 114.93 118.44 2qab h MET 388 Ca 0.24 -0.42 -0.09 0.00 -2.06 0.00 0.00 59.70 57.36 2qab h MET 388 Cb -0.02 -0.03 -0.01 0.00 0.06 0.00 0.00 31.60 31.60 2qab h MET 388 CO -0.04 1.10 -0.23 0.97 1.06 0.00 0.00 176.91 179.76 2qab h ILE 389 N 0.84 1.26 -0.22 -1.22 2.10 -1.04 0.29 117.51 119.52 2qab h ILE 389 Ca 0.11 -1.24 0.00 0.00 1.08 0.00 0.00 64.86 64.81 2qab h ILE 389 Cb 0.79 1.30 -0.01 0.00 -1.09 0.00 0.00 36.82 37.81 2qab h ILE 389 CO 0.07 0.40 0.13 1.23 -1.08 0.00 0.00 178.15 178.90 2qab h GLY 390 N 1.00 0.30 0.89 8.18 0.00 -1.09 -1.22 103.07 111.13 2qab h GLY 390 Ca 0.07 -0.10 0.02 0.00 0.00 0.00 0.00 47.33 47.32 2qab h GLY 390 CO 0.05 0.10 0.24 -2.00 0.00 0.00 0.00 176.54 174.93 2qab h LEU 391 N 0.28 0.38 -0.82 3.11 5.85 -0.73 -0.27 115.31 123.11 2qab h LEU 391 Ca 0.08 0.01 -0.03 0.00 0.84 0.00 0.00 57.88 58.78 2qab h LEU 391 Cb -0.02 -0.07 -0.04 0.00 0.37 0.00 0.00 40.66 40.90 2qab h LEU 391 CO -0.03 0.28 0.39 0.58 -0.34 0.00 0.00 178.44 179.32 2qab h VAL 392 N 0.49 1.26 0.02 1.05 2.07 -0.80 -1.47 116.25 118.87 2qab h VAL 392 Ca 0.17 -0.72 0.00 0.00 0.82 0.00 0.00 66.70 66.96 2qab h VAL 392 Cb 0.02 0.21 -0.00 0.00 -1.52 0.00 0.00 31.29 30.00 2qab h VAL 392 CO -0.08 0.31 -0.02 -0.25 0.02 0.00 0.00 177.57 177.55 2qab h TRP 393 N 1.17 -0.04 0.00 1.57 2.91 -0.83 -2.39 115.95 118.34 2qab h TRP 393 Ca 0.28 0.00 -0.01 0.00 1.13 0.00 0.00 58.89 60.29 2qab h TRP 393 Cb 0.13 0.02 -0.00 0.00 -0.51 0.00 0.00 29.16 28.79 2qab h TRP 393 CO 0.01 -0.03 -0.04 0.00 -1.03 0.00 0.00 178.44 177.36 2qab h ARG 394 N -0.04 0.00 0.00 2.65 3.08 -0.64 -1.71 114.38 117.72 2qab h ARG 394 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 2qab h ARG 394 Cb 0.04 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.09 2qab h ARG 394 CO -0.00 0.04 -0.63 0.43 -1.07 0.00 0.00 179.97 178.73 2qab n SER 395 N -3.73 0.63 -0.31 7.04 7.64 -0.59 -4.44 113.62 119.85 2qab n SER 395 Ca -0.03 -0.44 0.17 0.00 1.01 0.00 0.00 58.87 59.58 2qab n SER 395 Cb 0.13 0.44 0.34 0.00 -1.01 0.00 0.00 64.21 64.12 2qab n SER 395 CO 0.00 0.00 0.00 0.24 -3.01 0.00 0.00 175.04 172.27 2qab h MET 396 N 0.00 0.15 -0.50 1.43 2.86 -0.80 0.19 114.93 118.25 2qab h MET 396 Ca 0.00 -0.01 0.00 0.00 -2.06 0.00 0.00 59.70 57.63 2qab h MET 396 Cb 0.50 -0.03 0.00 0.00 0.06 0.00 0.00 31.60 32.13 2qab h MET 396 CO 0.00 0.10 0.00 -0.85 1.06 0.00 0.00 176.91 177.22 2qab n GLU 397 N -5.27 2.25 -3.70 1.72 0.28 -1.26 -4.50 120.64 110.15 2qab n GLU 397 Ca 0.25 -1.71 -0.28 0.00 -0.16 0.00 0.00 57.16 55.26 2qab n GLU 397 Cb 0.80 -1.44 -0.11 0.00 1.43 0.00 0.00 31.44 32.12 2qab n GLU 397 CO 0.00 0.00 0.00 -1.01 -0.16 0.00 0.00 177.13 175.96 2qab s HIS 398 N -1.47 2.59 0.35 -1.84 3.76 0.66 -5.10 115.29 114.24 2qab s HIS 398 Ca 0.31 -2.93 -0.28 0.00 -0.15 0.00 0.00 55.06 52.01 2qab s HIS 398 Cb 0.17 -2.01 -0.12 0.00 1.11 0.00 0.00 32.58 31.74 2qab s HIS 398 CO 0.20 -0.66 1.43 -2.30 -0.85 0.00 0.00 174.74 172.56 2qab n PRO 399 N 2.35 2.49 -0.35 8.40 -0.02 -1.26 -1.84 135.00 144.76 2qab n PRO 399 Ca 0.23 0.87 0.00 0.00 -2.02 0.00 0.00 63.50 62.58 2qab n PRO 399 Cb 0.40 -2.56 0.00 0.00 -0.02 0.00 0.00 33.50 31.32 2qab n PRO 399 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2qab n GLY 400 N 0.77 1.93 3.20 -1.23 0.00 -1.26 -5.01 105.19 103.60 2qab n GLY 400 Ca 0.03 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.92 2qab n GLY 400 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2qab s LYS 401 N -0.13 0.91 -0.24 1.61 1.02 -0.77 -4.13 119.74 118.01 2qab s LYS 401 Ca 0.00 -1.27 -0.03 0.00 0.02 0.00 0.00 55.97 54.69 2qab s LYS 401 Cb 0.00 -0.52 0.01 0.00 -0.52 0.00 0.00 37.83 36.80 2qab s LYS 401 CO 0.00 0.07 -0.05 -0.51 -0.92 0.00 0.00 175.35 173.94 2qab s LEU 402 N -2.74 3.04 -1.19 3.17 1.43 0.15 -4.82 118.68 117.71 2qab s LEU 402 Ca 0.10 -0.63 -0.15 0.00 -1.03 0.00 0.00 54.13 52.41 2qab s LEU 402 Cb -0.00 -1.70 0.15 0.00 0.03 0.00 0.00 46.19 44.66 2qab s LEU 402 CO -0.00 -0.08 1.46 -0.22 0.23 0.00 0.00 176.35 177.74 2qab s LEU 403 N 1.41 4.79 0.24 1.79 0.20 -1.26 -1.14 118.68 124.69 2qab s LEU 403 Ca 0.03 -2.77 -0.06 0.00 0.69 0.00 0.00 54.13 52.03 2qab s LEU 403 Cb -0.15 -2.44 0.23 0.00 -0.43 0.00 0.00 46.19 43.40 2qab s LEU 403 CO -0.04 -0.87 1.82 -0.26 -0.29 0.00 0.00 176.35 176.71 2qab h PHE 404 N 7.46 1.17 -3.30 5.38 0.04 -1.67 -3.43 116.94 122.59 2qab h PHE 404 Ca 0.32 -0.06 -0.03 0.00 2.80 0.00 0.00 57.97 60.99 2qab h PHE 404 Cb 0.89 -0.36 -0.12 0.00 2.20 0.00 0.00 35.95 38.56 2qab h PHE 404 CO 1.17 0.86 0.01 0.00 -0.60 0.00 0.00 178.31 179.75 2qab s ALA 405 N -5.62 -1.03 0.51 2.45 0.00 -0.97 -4.92 121.76 112.18 2qab s ALA 405 Ca -0.12 -0.04 0.21 0.00 0.00 0.00 0.00 51.96 52.01 2qab s ALA 405 Cb 0.16 0.79 1.31 0.00 0.00 0.00 0.00 23.12 25.39 2qab s ALA 405 CO 0.83 -0.73 2.03 -1.35 0.00 0.00 0.00 175.76 176.54 2qab h PRO 406 N 2.24 0.06 -0.69 0.00 0.11 -1.88 0.11 132.00 131.94 2qab h PRO 406 Ca -0.32 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.79 2qab h PRO 406 Cb 1.27 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.36 2qab h PRO 406 CO 0.41 0.04 0.00 0.27 -0.21 0.00 0.00 178.00 178.51 2qab n ASN 407 N -4.43 4.60 -3.41 -2.05 6.94 -1.26 -4.65 115.26 111.00 2qab n ASN 407 Ca 0.06 -2.32 -0.27 0.00 -0.02 0.00 0.00 54.58 52.03 2qab n ASN 407 Cb 0.44 -0.56 -0.11 0.00 -2.36 0.00 0.00 39.78 37.19 2qab n ASN 407 CO 0.00 0.00 0.00 -0.22 -1.03 0.00 0.00 177.26 176.01 2qab s LEU 408 N -1.61 0.98 -0.29 -4.53 2.96 0.37 -4.84 118.68 111.71 2qab s LEU 408 Ca 0.52 -2.44 -0.01 0.00 -0.22 0.00 0.00 54.13 51.98 2qab s LEU 408 Cb 0.31 -0.28 0.05 0.00 0.50 0.00 0.00 46.19 46.77 2qab s LEU 408 CO 0.28 -0.25 -0.01 -0.22 -1.32 0.00 0.00 176.35 174.82 2qab s LEU 409 N 0.75 3.79 -0.06 -0.68 2.96 -1.25 -1.70 118.68 122.49 2qab s LEU 409 Ca 0.23 -1.24 0.04 0.00 -0.22 0.00 0.00 54.13 52.94 2qab s LEU 409 Cb -0.13 -1.70 -0.02 0.00 0.50 0.00 0.00 46.19 44.85 2qab s LEU 409 CO -0.07 -0.24 -0.17 -0.76 -1.32 0.00 0.00 176.35 173.79 2qab s LEU 410 N 1.25 2.58 0.50 -0.68 1.43 -0.30 -4.89 118.68 118.57 2qab s LEU 410 Ca -0.05 -0.28 0.06 0.00 -1.03 0.00 0.00 54.13 52.84 2qab s LEU 410 Cb -0.19 -1.51 0.04 0.00 0.03 0.00 0.00 46.19 44.55 2qab s LEU 410 CO -0.02 0.31 0.68 1.51 0.23 0.00 0.00 176.35 179.07 2qab s ASP 411 N -0.54 5.39 0.45 2.29 3.84 -1.26 0.30 116.67 127.14 2qab s ASP 411 Ca 0.07 -0.43 0.12 0.00 -0.00 0.00 0.00 52.55 52.31 2qab s ASP 411 Cb -0.11 -0.46 1.02 0.00 -1.38 0.00 0.00 42.92 41.99 2qab s ASP 411 CO 0.01 -1.02 2.07 0.08 -0.00 0.00 0.00 175.17 176.30 2qab h ARG 412 N 0.36 0.23 -0.40 2.11 0.11 -1.97 -0.95 114.38 113.88 2qab h ARG 412 Ca -0.38 -0.02 -0.08 0.00 0.10 0.00 0.00 59.98 59.60 2qab h ARG 412 Cb 1.28 -0.05 -0.02 0.00 1.11 0.00 0.00 29.97 32.30 2qab h ARG 412 CO 0.45 0.20 -0.07 -0.91 0.10 0.00 0.00 179.97 179.74 2qab h ASN 413 N 0.24 0.66 0.51 0.08 2.35 -1.94 -1.76 115.58 115.72 2qab h ASN 413 Ca 0.06 -0.17 -0.07 0.00 -0.55 0.00 0.00 56.30 55.57 2qab h ASN 413 Cb 0.06 -0.18 -0.01 0.00 0.05 0.00 0.00 38.32 38.25 2qab h ASN 413 CO -0.01 0.78 -0.32 1.56 -1.65 0.00 0.00 177.43 177.80 2qab h GLN 414 N 0.63 0.00 0.00 0.81 4.20 -1.56 -2.66 115.11 116.53 2qab h GLN 414 Ca 0.12 0.00 -0.02 0.00 0.06 0.00 0.00 58.65 58.81 2qab h GLN 414 Cb 0.50 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.28 2qab h GLN 414 CO 0.03 0.32 -0.09 0.78 -0.67 0.00 0.00 178.83 179.19 2qab h GLY 415 N 1.35 0.00 2.00 3.46 0.00 -1.00 -2.68 103.07 106.19 2qab h GLY 415 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 2qab h GLY 415 CO 0.04 0.00 0.00 0.28 0.00 0.00 0.00 176.54 176.86 2qab n LYS 416 N -4.39 0.07 0.16 4.80 5.02 -1.00 -2.14 118.16 120.67 2qab n LYS 416 Ca -0.03 0.48 0.04 0.00 -2.02 0.00 0.00 58.31 56.78 2qab n LYS 416 Cb 0.17 -1.68 0.45 0.00 -0.02 0.00 0.00 35.03 33.94 2qab n LYS 416 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2qab s VAL 418 N -4.73 4.22 0.25 0.00 1.01 -0.91 -3.86 120.40 116.38 2qab s VAL 418 Ca -0.05 -0.22 -0.30 0.00 0.00 0.00 0.00 61.98 61.41 2qab s VAL 418 Cb 0.16 -2.91 -0.10 0.00 0.00 0.00 0.00 36.38 33.52 2qab s VAL 418 CO 0.72 0.43 1.46 -1.83 0.00 0.00 0.00 175.10 175.87 2qab s GLU 419 N 0.88 4.25 0.00 2.72 -1.05 -1.26 -2.04 118.70 122.20 2qab s GLU 419 Ca 0.02 2.33 0.00 0.00 -0.15 0.00 0.00 54.97 57.17 2qab s GLU 419 Cb -0.14 -3.10 0.00 0.00 -0.44 0.00 0.00 34.13 30.45 2qab s GLU 419 CO 0.02 -0.45 0.00 0.41 0.95 0.00 0.00 175.26 176.19 2qab n GLY 420 N 2.26 1.80 0.15 -3.83 0.00 -1.26 -4.90 105.19 99.41 2qab n GLY 420 Ca 0.07 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.86 2qab n GLY 420 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 173.32 175.30 2qab h MET 421 N 2.65 0.53 -0.52 1.61 -1.53 -1.62 -3.32 114.93 112.72 2qab h MET 421 Ca 0.00 -0.87 0.12 0.00 -3.44 0.00 0.00 59.70 55.51 2qab h MET 421 Cb 0.00 0.32 -0.03 0.00 -0.55 0.00 0.00 31.60 31.34 2qab h MET 421 CO 0.00 1.41 0.36 -0.24 0.14 0.00 0.00 176.91 178.59 2qab h VAL 422 N 0.16 0.82 -0.48 -5.77 3.04 -1.75 0.93 116.25 113.19 2qab h VAL 422 Ca -0.24 -0.06 -0.09 0.00 -1.01 0.00 0.00 66.70 65.30 2qab h VAL 422 Cb 2.13 0.62 -0.02 0.00 -2.01 0.00 0.00 31.29 32.01 2qab h VAL 422 CO 0.27 0.03 -0.06 -0.33 -1.01 0.00 0.00 177.57 176.47 2qab h GLU 423 N 0.18 0.89 -0.20 4.17 3.07 -1.95 0.15 114.58 120.89 2qab h GLU 423 Ca 0.25 -0.31 -0.06 0.00 -0.50 0.00 0.00 59.36 58.74 2qab h GLU 423 Cb 0.74 -0.07 -0.01 0.00 -0.84 0.00 0.00 28.75 28.58 2qab h GLU 423 CO -0.04 0.96 -0.10 0.82 -1.40 0.00 0.00 179.01 179.25 2qab h ILE 424 N 0.74 1.31 -0.43 3.13 2.04 -1.23 -2.60 117.51 120.47 2qab h ILE 424 Ca 0.13 -1.16 0.09 0.00 1.00 0.00 0.00 64.86 64.92 2qab h ILE 424 Cb 0.59 1.65 -0.09 0.00 -0.74 0.00 0.00 36.82 38.23 2qab h ILE 424 CO 0.04 0.35 -0.17 -0.26 0.00 0.00 0.00 178.15 178.11 2qab h PHE 425 N 0.11 -0.40 -0.97 1.37 -1.00 -0.63 -1.02 116.94 114.40 2qab h PHE 425 Ca 0.04 0.04 0.09 0.00 2.81 0.00 0.00 57.97 60.96 2qab h PHE 425 Cb 0.59 0.24 -0.07 0.00 3.61 0.00 0.00 35.95 40.32 2qab h PHE 425 CO 0.06 -0.25 0.62 -0.44 -1.61 0.00 0.00 178.31 176.70 2qab h ASP 426 N -0.08 0.94 -0.14 2.17 3.32 -0.63 0.15 116.42 122.15 2qab h ASP 426 Ca 0.21 0.03 -0.13 0.00 0.02 0.00 0.00 57.03 57.16 2qab h ASP 426 Cb 0.40 -0.17 -0.01 0.00 0.22 0.00 0.00 39.33 39.77 2qab h ASP 426 CO -0.49 0.55 -0.34 0.24 -1.72 0.00 0.00 179.24 177.49 2qab h MET 427 N 1.04 0.65 -0.31 3.56 2.86 -0.95 -2.01 114.93 119.76 2qab h MET 427 Ca 0.45 -0.30 -0.09 0.00 -2.06 0.00 0.00 59.70 57.69 2qab h MET 427 Cb 0.34 -0.01 -0.01 0.00 0.06 0.00 0.00 31.60 31.98 2qab h MET 427 CO -0.20 0.90 -0.17 -0.07 1.06 0.00 0.00 176.91 178.42 2qab h LEU 428 N 0.55 0.69 -0.10 1.22 3.38 -0.30 -1.95 115.31 118.80 2qab h LEU 428 Ca 0.06 -0.42 0.02 0.00 0.09 0.00 0.00 57.88 57.63 2qab h LEU 428 Cb 0.84 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 41.38 2qab h LEU 428 CO 0.07 0.96 -0.03 -0.07 0.09 0.00 0.00 178.44 179.46 2qab h LEU 429 N 0.43 -0.11 -1.66 1.67 3.38 -0.71 -0.38 115.31 117.93 2qab h LEU 429 Ca 0.07 0.03 0.01 0.00 0.09 0.00 0.00 57.88 58.08 2qab h LEU 429 Cb 0.71 0.07 -0.02 0.00 0.09 0.00 0.00 40.66 41.51 2qab h LEU 429 CO 0.05 -0.04 0.24 0.00 0.09 0.00 0.00 178.44 178.78 2qab h ALA 430 N 1.09 1.76 -0.33 1.53 0.00 -1.32 0.27 119.26 122.26 2qab h ALA 430 Ca 0.05 -0.02 -0.10 0.00 0.00 0.00 0.00 54.91 54.84 2qab h ALA 430 Cb 0.08 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 2qab h ALA 430 CO -0.11 0.22 -0.17 1.15 0.00 0.00 0.00 179.25 180.34 2qab h THR 431 N 0.47 1.29 -0.58 0.00 2.02 -0.81 -1.57 112.91 113.73 2qab h THR 431 Ca 0.13 -1.29 0.08 0.00 0.77 0.00 0.00 66.41 66.11 2qab h THR 431 Cb -0.03 1.42 -0.07 0.00 -1.74 0.00 0.00 68.15 67.73 2qab h THR 431 CO -0.03 0.42 0.23 -1.28 0.37 0.00 0.00 175.52 175.23 2qab h SER 432 N 0.47 0.24 -0.53 4.18 0.87 -0.11 -0.58 113.55 118.09 2qab h SER 432 Ca 0.07 0.07 0.01 0.00 -1.23 0.00 0.00 61.79 60.71 2qab h SER 432 Cb 0.71 0.04 -0.03 0.00 -0.44 0.00 0.00 62.40 62.68 2qab h SER 432 CO 0.05 0.15 0.35 0.28 -0.53 0.00 0.00 176.83 177.13 2qab h SER 433 N 0.42 0.60 -0.60 6.23 0.02 -0.84 -1.15 113.55 118.22 2qab h SER 433 Ca 0.29 -0.01 0.01 0.00 -0.84 0.00 0.00 61.79 61.24 2qab h SER 433 Cb 0.33 -0.15 -0.03 0.00 0.14 0.00 0.00 62.40 62.69 2qab h SER 433 CO -0.28 0.43 0.39 -0.09 -1.14 0.00 0.00 176.83 176.14 2qab h ARG 434 N 0.71 0.76 -0.60 3.45 9.65 -0.85 0.98 114.38 128.48 2qab h ARG 434 Ca 0.20 -0.05 0.05 0.00 -1.10 0.00 0.00 59.98 59.08 2qab h ARG 434 Cb -0.07 -0.17 -0.05 0.00 -1.39 0.00 0.00 29.97 28.29 2qab h ARG 434 CO -0.05 0.51 0.34 0.74 2.80 0.00 0.00 179.97 184.30 2qab h PHE 435 N 0.79 0.62 -0.18 2.20 -1.00 -0.74 -0.86 116.94 117.76 2qab h PHE 435 Ca 0.23 0.02 -0.01 0.00 2.81 0.00 0.00 57.97 61.02 2qab h PHE 435 Cb -0.05 -0.19 -0.01 0.00 3.61 0.00 0.00 35.95 39.31 2qab h PHE 435 CO -0.04 0.31 0.06 -0.09 -1.61 0.00 0.00 178.31 176.94 2qab h ARG 436 N 0.64 0.28 -0.76 1.51 2.43 -0.72 -0.55 114.38 117.20 2qab h ARG 436 Ca 0.26 -0.06 0.08 0.00 -0.81 0.00 0.00 59.98 59.45 2qab h ARG 436 Cb 0.13 -0.04 -0.07 0.00 -0.42 0.00 0.00 29.97 29.57 2qab h ARG 436 CO -0.15 0.38 0.43 0.52 -1.51 0.00 0.00 179.97 179.64 2qab h MET 437 N 0.12 0.72 0.00 0.20 2.86 -0.53 -1.41 114.93 116.89 2qab h MET 437 Ca 0.06 -0.04 0.00 0.00 -2.06 0.00 0.00 59.70 57.66 2qab h MET 437 Cb 0.22 -0.16 0.00 0.00 0.06 0.00 0.00 31.60 31.71 2qab h MET 437 CO -0.00 0.48 0.00 -1.33 1.06 0.00 0.00 176.91 177.12 2qab n MET 438 N -4.77 0.22 -3.51 1.72 2.81 -0.36 -4.94 117.12 108.30 2qab n MET 438 Ca 0.12 0.24 -0.19 0.00 -1.81 0.00 0.00 57.70 56.05 2qab n MET 438 Cb 0.24 -1.79 0.06 0.00 -0.71 0.00 0.00 33.22 31.02 2qab n MET 438 CO 0.00 0.00 0.00 -1.71 1.51 0.00 0.00 175.97 175.77 2qab n ASN 439 N -2.19 -2.68 -4.68 7.83 5.15 -0.29 -4.90 115.26 113.50 2qab n ASN 439 Ca 0.05 -0.73 -0.45 0.00 -0.60 0.00 0.00 54.58 52.85 2qab n ASN 439 Cb 0.38 -4.65 -0.03 0.00 -0.53 0.00 0.00 39.78 34.95 2qab n ASN 439 CO 0.00 0.00 0.00 -0.11 1.40 0.00 0.00 177.26 178.55 2qab n LEU 440 N -4.04 3.26 -4.87 1.20 7.94 -0.74 -5.00 117.00 114.76 2qab n LEU 440 Ca -0.25 1.11 -0.31 0.00 -1.11 0.00 0.00 56.01 55.45 2qab n LEU 440 Cb 0.66 -1.45 -0.05 0.00 0.53 0.00 0.00 43.42 43.11 2qab n LEU 440 CO 0.64 -0.30 -0.19 -1.10 -1.11 0.00 0.00 177.39 175.33 2qab s GLN 441 N 0.32 3.27 0.40 1.96 -1.52 -1.26 -4.97 119.66 117.86 2qab s GLN 441 Ca 0.73 -0.49 0.10 0.00 -1.95 0.00 0.00 55.36 53.75 2qab s GLN 441 Cb -0.64 -2.95 0.89 0.00 -0.22 0.00 0.00 33.01 30.09 2qab s GLN 441 CO 0.43 0.61 1.98 0.78 -0.25 0.00 0.00 175.29 178.84 2qab h GLY 442 N 3.30 0.74 1.48 3.09 0.00 -1.98 0.70 103.07 110.39 2qab h GLY 442 Ca -0.46 -0.23 -0.05 0.00 0.00 0.00 0.00 47.33 46.59 2qab h GLY 442 CO 0.72 0.16 0.05 0.83 0.00 0.00 0.00 176.54 178.29 2qab h GLU 443 N 0.56 0.65 -0.08 4.80 3.07 -1.97 -1.35 114.58 120.26 2qab h GLU 443 Ca 0.28 -0.14 -0.17 0.00 -0.50 0.00 0.00 59.36 58.83 2qab h GLU 443 Cb 0.36 -0.09 0.01 0.00 -0.84 0.00 0.00 28.75 28.19 2qab h GLU 443 CO -0.09 0.64 -0.62 0.93 -1.40 0.00 0.00 179.01 178.47 2qab h GLU 444 N 0.62 0.57 -0.48 2.33 5.08 -1.40 -3.12 114.58 118.18 2qab h GLU 444 Ca 0.14 -0.50 0.07 0.00 -1.00 0.00 0.00 59.36 58.07 2qab h GLU 444 Cb 0.32 0.11 -0.06 0.00 0.50 0.00 0.00 28.75 29.63 2qab h GLU 444 CO 0.01 1.12 0.13 0.35 -1.00 0.00 0.00 179.01 179.62 2qab h PHE 445 N 0.18 0.23 -0.11 4.33 3.57 -0.77 -1.50 116.94 122.86 2qab h PHE 445 Ca -0.05 0.03 -0.10 0.00 3.53 0.00 0.00 57.97 61.37 2qab h PHE 445 Cb 1.28 -0.03 -0.01 0.00 2.79 0.00 0.00 35.95 39.97 2qab h PHE 445 CO 0.11 0.05 -0.38 -0.39 -2.23 0.00 0.00 178.31 175.47 2qab h VAL 446 N 0.29 1.29 -0.23 1.41 -1.51 -1.31 -0.66 116.25 115.53 2qab h VAL 446 Ca 0.24 -1.43 -0.02 0.00 -1.23 0.00 0.00 66.70 64.26 2qab h VAL 446 Cb 0.29 1.63 -0.01 0.00 -2.13 0.00 0.00 31.29 31.07 2qab h VAL 446 CO -0.28 0.43 0.07 0.00 -1.23 0.00 0.00 177.57 176.56 2qab h LEU 448 N 0.20 0.94 -1.13 0.00 3.38 -0.93 0.61 115.31 118.38 2qab h LEU 448 Ca 0.07 -0.11 -0.07 0.00 0.09 0.00 0.00 57.88 57.87 2qab h LEU 448 Cb 0.23 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.73 2qab h LEU 448 CO -0.00 0.78 -0.10 0.50 0.09 0.00 0.00 178.44 179.70 2qab h LYS 449 N 1.03 0.49 -0.03 1.13 3.64 -1.08 -1.21 116.57 120.54 2qab h LYS 449 Ca 0.26 -0.13 -0.17 0.00 -1.27 0.00 0.00 60.65 59.34 2qab h LYS 449 Cb 0.06 -0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 31.81 2qab h LYS 449 CO -0.04 0.59 -0.73 0.77 -2.27 0.00 0.00 179.45 177.78 2qab h SER 450 N 0.46 0.22 -0.55 4.20 0.02 -0.79 -2.58 113.55 114.52 2qab h SER 450 Ca 0.09 -0.15 -0.05 0.00 -0.84 0.00 0.00 61.79 60.84 2qab h SER 450 Cb 0.46 -0.06 -0.02 0.00 0.14 0.00 0.00 62.40 62.91 2qab h SER 450 CO 0.03 0.87 0.15 0.40 -1.14 0.00 0.00 176.83 177.14 2qab h ILE 451 N 0.12 1.24 -0.22 3.27 2.04 -0.24 -2.20 117.51 121.53 2qab h ILE 451 Ca -0.02 -0.84 0.01 0.00 1.00 0.00 0.00 64.86 65.01 2qab h ILE 451 Cb 1.29 0.74 -0.01 0.00 -0.74 0.00 0.00 36.82 38.09 2qab h ILE 451 CO 0.11 0.31 0.12 0.40 0.00 0.00 0.00 178.15 179.09 2qab h ILE 452 N 0.77 1.02 -0.40 -0.67 2.04 -1.13 0.15 117.51 119.29 2qab h ILE 452 Ca 0.17 -0.09 0.07 0.00 1.00 0.00 0.00 64.86 66.02 2qab h ILE 452 Cb 0.31 0.74 -0.06 0.00 -0.74 0.00 0.00 36.82 37.07 2qab h ILE 452 CO -0.00 0.05 0.01 0.25 0.00 0.00 0.00 178.15 178.45 2qab h LEU 453 N 0.25 -0.15 -0.12 1.44 5.85 -1.30 -1.94 115.31 119.35 2qab h LEU 453 Ca 0.08 0.09 -0.23 0.00 0.84 0.00 0.00 57.88 58.67 2qab h LEU 453 Cb -0.00 0.16 -0.01 0.00 0.37 0.00 0.00 40.66 41.18 2qab h LEU 453 CO -0.04 -0.04 -1.01 -0.07 -0.34 0.00 0.00 178.44 176.94 2qab h LEU 454 N 0.11 0.32 0.07 2.25 3.38 -1.07 -3.39 115.31 116.99 2qab h LEU 454 Ca 0.20 -0.29 -0.30 0.00 0.09 0.00 0.00 57.88 57.58 2qab h LEU 454 Cb 0.28 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 40.90 2qab h LEU 454 CO -0.32 1.14 -1.60 -1.13 0.09 0.00 0.00 178.44 176.63 2qab h ASN 455 N 0.11 0.25 -0.74 -0.43 -1.24 -0.63 -3.35 115.58 109.54 2qab h ASN 455 Ca -0.07 -0.76 0.15 0.00 0.71 0.00 0.00 56.30 56.32 2qab h ASN 455 Cb 1.68 -0.08 -0.10 0.00 0.73 0.00 0.00 38.32 40.55 2qab h ASN 455 CO 0.16 1.67 0.25 0.28 -1.29 0.00 0.00 177.43 178.50 2qab h SER 456 N -0.42 0.17 -0.16 1.15 0.02 -1.54 -0.23 113.55 112.55 2qab h SER 456 Ca -0.37 0.12 0.00 0.00 -0.84 0.00 0.00 61.79 60.70 2qab h SER 456 Cb 1.70 0.13 0.00 0.00 0.14 0.00 0.00 62.40 64.37 2qab h SER 456 CO -0.03 0.04 0.00 0.61 -1.14 0.00 0.00 176.83 176.31 2qab n GLY 457 N -1.33 0.70 0.22 -3.77 0.00 -1.26 -4.58 105.19 95.16 2qab n GLY 457 Ca 0.14 -0.56 0.08 0.00 0.00 0.00 0.00 46.02 45.68 2qab n GLY 457 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 2qab h VAL 458 N 3.29 0.85 -0.01 1.61 3.04 -1.17 -2.57 116.25 121.28 2qab h VAL 458 Ca 0.00 -1.07 0.00 0.00 -1.01 0.00 0.00 66.70 64.62 2qab h VAL 458 Cb 0.71 1.64 0.00 0.00 -2.01 0.00 0.00 31.29 31.64 2qab h VAL 458 CO 0.00 0.26 -0.39 -1.22 -1.01 0.00 0.00 177.57 175.22 2qab n TYR 459 N -3.71 0.00 1.33 3.17 4.01 -1.26 -3.87 117.16 116.82 2qab n TYR 459 Ca -0.01 0.00 0.09 0.00 -0.16 0.00 0.00 57.90 57.82 2qab n TYR 459 Cb 0.38 -0.05 0.34 0.00 -0.31 0.00 0.00 39.34 39.70 2qab n TYR 459 CO 0.00 0.00 0.00 2.41 -0.46 0.00 0.00 176.86 178.81 2qab n THR 460 N -0.28 0.21 -1.03 -0.72 -1.04 -0.97 -4.81 114.28 105.64 2qab n THR 460 Ca 0.10 -0.29 -0.29 0.00 -2.04 0.00 0.00 64.05 61.53 2qab n THR 460 Cb 0.42 0.21 0.17 0.00 -1.82 0.00 0.00 70.33 69.31 2qab n THR 460 CO 0.00 0.00 0.00 -0.36 -0.64 0.00 0.00 175.07 174.07 2qab s PHE 461 N -1.79 2.03 0.00 -1.42 2.99 -1.25 -5.10 117.98 113.46 2qab s PHE 461 Ca 0.28 1.23 0.00 0.00 0.00 0.00 0.00 56.93 58.45 2qab s PHE 461 Cb 0.15 -3.19 0.00 0.00 0.00 0.00 0.00 43.02 39.98 2qab s PHE 461 CO 0.22 -2.81 0.00 1.28 -0.00 0.00 0.00 175.22 173.91 2qab n LEU 462 N -4.17 0.00 -3.84 -0.37 7.99 -1.26 -5.13 117.00 110.23 2qab n LEU 462 Ca 0.06 0.00 -0.29 0.00 -0.01 0.00 0.00 56.01 55.77 2qab n LEU 462 Cb 0.55 0.00 -0.16 0.00 -0.11 0.00 0.00 43.42 43.70 2qab n LEU 462 CO 0.56 -0.15 -0.40 -0.44 -1.51 0.00 0.00 177.39 175.45 2qab s SER 463 N -0.60 3.36 -0.64 -1.43 0.01 -1.26 -4.74 113.70 108.41 2qab s SER 463 Ca 0.00 -0.99 0.04 0.00 1.31 0.00 0.00 55.95 56.31 2qab s SER 463 Cb 0.00 -0.89 0.35 0.00 0.21 0.00 0.00 66.02 65.69 2qab s SER 463 CO 0.00 -0.27 1.15 -0.24 0.41 0.00 0.00 173.24 174.30 2qab n SER 464 N 4.86 5.09 0.00 2.44 2.88 -1.26 -4.98 113.62 122.65 2qab n SER 464 Ca -0.11 -3.70 0.00 0.00 -1.33 0.00 0.00 58.87 53.73 2qab n SER 464 Cb 0.46 -0.66 0.00 0.00 -0.75 0.00 0.00 64.21 63.26 2qab n SER 464 CO 0.00 0.00 0.00 0.35 -1.23 0.00 0.00 175.04 174.16 2qab n THR 465 N -0.27 0.00 -0.32 2.46 -2.24 -1.26 -3.03 114.28 109.62 2qab n THR 465 Ca 0.36 0.00 0.14 0.00 -2.27 0.00 0.00 64.05 62.28 2qab n THR 465 Cb 0.41 0.00 0.28 0.00 -2.10 0.00 0.00 70.33 68.92 2qab n THR 465 CO 0.00 0.00 0.00 -0.11 -0.57 0.00 0.00 175.07 174.39 2qab n LEU 466 N 0.00 -0.10 0.09 3.22 7.94 -1.26 -1.99 117.00 124.90 2qab n LEU 466 Ca 0.00 1.59 -0.13 0.00 -1.11 0.00 0.00 56.01 56.36 2qab n LEU 466 Cb 0.00 -0.58 -0.08 0.00 0.53 0.00 0.00 43.42 43.29 2qab n LEU 466 CO 0.00 -1.61 0.51 0.11 -1.11 0.00 0.00 177.39 175.29 2qab h LYS 467 N 0.00 -0.57 -0.20 1.96 1.57 -1.98 0.48 116.57 117.82 2qab h LYS 467 Ca 0.57 0.04 -0.21 0.00 -1.87 0.00 0.00 60.65 59.18 2qab h LYS 467 Cb 1.20 0.13 0.01 0.00 0.08 0.00 0.00 32.23 33.64 2qab h LYS 467 CO -0.88 -0.38 -0.70 0.77 -0.57 0.00 0.00 179.45 177.69 2qab h SER 468 N -0.59 0.96 -0.41 0.86 0.02 -1.63 -3.22 113.55 109.53 2qab h SER 468 Ca -0.01 -0.59 0.02 0.00 -0.84 0.00 0.00 61.79 60.37 2qab h SER 468 Cb 0.59 -0.28 -0.03 0.00 0.14 0.00 0.00 62.40 62.83 2qab h SER 468 CO -0.22 1.39 0.24 -0.07 -1.14 0.00 0.00 176.83 177.03 2qab h LEU 469 N 0.59 0.39 -0.85 5.07 4.07 -1.28 -1.93 115.31 121.37 2qab h LEU 469 Ca -0.03 0.00 -0.07 0.00 0.08 0.00 0.00 57.88 57.86 2qab h LEU 469 Cb 1.32 -0.08 -0.01 0.00 1.08 0.00 0.00 40.66 42.97 2qab h LEU 469 CO 0.15 0.28 -0.35 -0.33 -1.08 0.00 0.00 178.44 177.11 2qab h GLU 470 N 0.49 0.00 -0.27 1.13 4.39 -0.98 0.16 114.58 119.50 2qab h GLU 470 Ca 0.16 0.00 -0.12 0.00 0.34 0.00 0.00 59.36 59.74 2qab h GLU 470 Cb 0.01 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.64 2qab h GLU 470 CO -0.07 0.35 -0.35 0.93 -1.16 0.00 0.00 179.01 178.70 2qab h GLU 471 N 0.00 0.59 -0.06 2.33 4.39 -1.52 -1.86 114.58 118.46 2qab h GLU 471 Ca -0.00 -0.28 -0.02 0.00 0.34 0.00 0.00 59.36 59.40 2qab h GLU 471 Cb 0.93 -0.01 -0.00 0.00 -0.10 0.00 0.00 28.75 29.57 2qab h GLU 471 CO 0.05 0.86 -0.03 -0.22 -1.16 0.00 0.00 179.01 178.51 2qab h LYS 472 N 0.50 0.12 -0.14 2.33 1.63 -0.60 -2.48 116.57 117.92 2qab h LYS 472 Ca 0.05 -0.05 0.05 0.00 -0.85 0.00 0.00 60.65 59.85 2qab h LYS 472 Cb 0.84 -0.00 -0.06 0.00 -0.60 0.00 0.00 32.23 32.41 2qab h LYS 472 CO 0.07 0.50 -0.31 -0.44 -3.45 0.00 0.00 179.45 175.82 2qab h ASP 473 N -0.26 -0.97 -0.22 4.20 5.19 -0.70 -1.87 116.42 121.79 2qab h ASP 473 Ca 0.01 0.14 0.06 0.00 -0.62 0.00 0.00 57.03 56.62 2qab h ASP 473 Cb 0.46 0.42 -0.06 0.00 0.18 0.00 0.00 39.33 40.32 2qab h ASP 473 CO 0.01 -0.35 -0.17 -0.74 -3.12 0.00 0.00 179.24 174.87 2qab h HIS 474 N -0.38 -0.44 -0.84 4.55 2.76 -1.37 0.19 115.15 119.63 2qab h HIS 474 Ca 0.10 0.03 0.12 0.00 -2.20 0.00 0.00 60.37 58.42 2qab h HIS 474 Cb 0.53 0.23 -0.08 0.00 1.55 0.00 0.00 27.41 29.64 2qab h HIS 474 CO -0.40 -0.25 0.45 0.82 -1.30 0.00 0.00 177.93 177.25 2qab h ILE 475 N -0.17 0.81 -0.15 6.26 2.04 -1.24 -0.56 117.51 124.50 2qab h ILE 475 Ca 0.13 -0.24 -0.16 0.00 1.00 0.00 0.00 64.86 65.59 2qab h ILE 475 Cb 0.36 0.05 -0.01 0.00 -0.74 0.00 0.00 36.82 36.49 2qab h ILE 475 CO -0.32 0.13 -0.58 0.45 0.00 0.00 0.00 178.15 177.82 2qab h HIS 476 N 0.69 0.59 -0.63 1.37 3.86 -0.42 0.37 115.15 120.98 2qab h HIS 476 Ca 0.43 -0.22 0.04 0.00 -1.16 0.00 0.00 60.37 59.47 2qab h HIS 476 Cb 0.53 -0.11 -0.05 0.00 1.06 0.00 0.00 27.41 28.85 2qab h HIS 476 CO -0.08 0.93 0.37 0.00 0.86 0.00 0.00 177.93 180.01 2qab h ARG 477 N 0.35 0.69 -0.26 2.45 -0.00 0.31 0.06 114.38 117.99 2qab h ARG 477 Ca -0.00 -0.04 -0.09 0.00 -0.50 0.00 0.00 59.98 59.35 2qab h ARG 477 Cb 1.12 -0.16 -0.01 0.00 0.00 0.00 0.00 29.97 30.93 2qab h ARG 477 CO 0.10 0.46 -0.19 0.28 0.00 0.00 0.00 179.97 180.62 2qab h VAL 478 N 0.71 1.31 -0.67 2.04 2.07 -0.82 -1.48 116.25 119.41 2qab h VAL 478 Ca 0.27 -1.32 0.07 0.00 0.82 0.00 0.00 66.70 66.54 2qab h VAL 478 Cb 0.09 1.60 -0.06 0.00 -1.52 0.00 0.00 31.29 31.40 2qab h VAL 478 CO -0.13 0.41 0.35 -0.07 0.02 0.00 0.00 177.57 178.15 2qab h LEU 479 N 0.30 0.49 -1.29 2.57 3.38 -0.78 -1.27 115.31 118.70 2qab h LEU 479 Ca 0.05 0.04 0.01 0.00 0.09 0.00 0.00 57.88 58.08 2qab h LEU 479 Cb 0.72 -0.05 -0.04 0.00 0.09 0.00 0.00 40.66 41.39 2qab h LEU 479 CO 0.05 0.30 0.48 0.44 0.09 0.00 0.00 178.44 179.81 2qab h ASP 480 N 0.63 0.82 -0.73 -0.43 3.32 -0.67 -0.88 116.42 118.47 2qab h ASP 480 Ca 0.31 -0.02 -0.05 0.00 0.02 0.00 0.00 57.03 57.30 2qab h ASP 480 Cb 0.26 -0.20 -0.03 0.00 0.22 0.00 0.00 39.33 39.58 2qab h ASP 480 CO -0.22 0.59 0.28 0.11 -1.72 0.00 0.00 179.24 178.28 2qab h LYS 481 N 0.97 1.12 -0.21 3.56 1.57 -0.20 -1.87 116.57 121.51 2qab h LYS 481 Ca 0.27 -0.21 -0.15 0.00 -1.87 0.00 0.00 60.65 58.70 2qab h LYS 481 Cb -0.08 -0.18 -0.01 0.00 0.08 0.00 0.00 32.23 32.04 2qab h LYS 481 CO -0.06 0.92 -0.49 0.82 -0.57 0.00 0.00 179.45 180.07 2qab h ILE 482 N 1.09 1.31 -0.13 1.86 2.04 -0.18 -1.45 117.51 122.04 2qab h ILE 482 Ca 0.25 -1.70 0.04 0.00 1.00 0.00 0.00 64.86 64.44 2qab h ILE 482 Cb 0.23 1.68 -0.04 0.00 -0.74 0.00 0.00 36.82 37.96 2qab h ILE 482 CO -0.02 0.53 -0.09 0.74 0.00 0.00 0.00 178.15 179.31 2qab h THR 483 N 0.44 0.72 -0.83 -0.27 2.02 -1.06 0.16 112.91 114.09 2qab h THR 483 Ca 0.02 0.00 0.10 0.00 0.77 0.00 0.00 66.41 67.30 2qab h THR 483 Cb 1.01 0.72 -0.06 0.00 -1.74 0.00 0.00 68.15 68.09 2qab h THR 483 CO 0.09 0.00 0.54 0.44 0.37 0.00 0.00 175.52 176.96 2qab h ASP 484 N -0.10 0.72 -0.16 4.18 3.32 -1.04 -0.41 116.42 122.92 2qab h ASP 484 Ca 0.08 0.02 -0.09 0.00 0.02 0.00 0.00 57.03 57.06 2qab h ASP 484 Cb 0.22 -0.13 -0.00 0.00 0.22 0.00 0.00 39.33 39.64 2qab h ASP 484 CO -0.19 0.43 -0.24 0.74 -1.72 0.00 0.00 179.24 178.25 2qab h THR 485 N 0.79 1.35 0.02 0.35 2.02 -0.65 -1.46 112.91 115.34 2qab h THR 485 Ca 0.38 -1.46 0.02 0.00 0.77 0.00 0.00 66.41 66.12 2qab h THR 485 Cb 0.43 1.91 -0.02 0.00 -1.74 0.00 0.00 68.15 68.73 2qab h THR 485 CO -0.15 0.44 -0.12 -0.07 0.37 0.00 0.00 175.52 175.98 2qab h LEU 486 N 0.09 -0.35 -0.53 2.58 3.38 0.10 -1.25 115.31 119.34 2qab h LEU 486 Ca 0.02 0.05 0.08 0.00 0.09 0.00 0.00 57.88 58.12 2qab h LEU 486 Cb 0.82 0.14 -0.07 0.00 0.09 0.00 0.00 40.66 41.64 2qab h LEU 486 CO 0.06 -0.18 0.17 0.40 0.09 0.00 0.00 178.44 178.98 2qab h ILE 487 N -0.22 0.78 -0.82 1.22 1.08 -1.11 -2.06 117.51 116.39 2qab h ILE 487 Ca 0.04 -0.11 0.12 0.00 -0.39 0.00 0.00 64.86 64.51 2qab h ILE 487 Cb 0.26 0.42 -0.08 0.00 -3.07 0.00 0.00 36.82 34.35 2qab h ILE 487 CO -0.10 0.06 0.43 -0.74 -0.69 0.00 0.00 178.15 177.11 2qab h HIS 488 N 0.33 0.77 -0.48 1.37 2.76 -0.80 -0.28 115.15 118.82 2qab h HIS 488 Ca 0.26 0.03 -0.10 0.00 -2.20 0.00 0.00 60.37 58.36 2qab h HIS 488 Cb 0.32 -0.22 -0.02 0.00 1.55 0.00 0.00 27.41 29.04 2qab h HIS 488 CO -0.18 0.24 -0.09 -0.07 -1.30 0.00 0.00 177.93 176.53 2qab h LEU 489 N 0.67 0.92 -0.72 0.26 3.38 -0.58 -0.60 115.31 118.63 2qab h LEU 489 Ca 0.42 -0.35 -0.13 0.00 0.09 0.00 0.00 57.88 57.91 2qab h LEU 489 Cb 0.51 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 41.00 2qab h LEU 489 CO -0.31 1.05 -0.48 0.24 0.09 0.00 0.00 178.44 179.03 2qab h MET 490 N 0.77 0.38 -0.27 1.13 2.86 -0.87 -0.96 114.93 117.96 2qab h MET 490 Ca 0.13 -0.21 -0.07 0.00 -2.06 0.00 0.00 59.70 57.48 2qab h MET 490 Cb 0.64 0.01 -0.01 0.00 0.06 0.00 0.00 31.60 32.30 2qab h MET 490 CO 0.04 0.78 -0.10 0.00 1.06 0.00 0.00 176.91 178.69 2qab h ALA 491 N 1.18 0.38 0.00 6.32 0.00 -0.92 -0.84 119.26 125.38 2qab h ALA 491 Ca 0.02 -0.30 -0.03 0.00 0.00 0.00 0.00 54.91 54.60 2qab h ALA 491 Cb 0.96 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.65 2qab h ALA 491 CO 0.08 0.23 -0.15 -0.22 0.00 0.00 0.00 179.25 179.19 2qab h LYS 492 N 0.30 0.00 -0.00 0.00 1.63 -0.99 0.21 116.57 117.72 2qab h LYS 492 Ca 0.06 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.86 2qab h LYS 492 Cb 0.60 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.23 2qab h LYS 492 CO 0.03 0.15 -0.00 0.00 -3.45 0.00 0.00 179.45 176.18 2qab n ALA 493 N -2.41 2.61 -0.86 5.00 0.00 -0.38 -4.92 120.51 119.55 2qab n ALA 493 Ca -0.02 -0.18 0.00 0.00 0.00 0.00 0.00 53.44 53.23 2qab n ALA 493 Cb 0.23 -1.50 0.00 0.00 0.00 0.00 0.00 19.45 18.18 2qab n ALA 493 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2qab n GLY 494 N 1.12 0.56 3.77 0.00 0.00 0.72 -5.03 105.19 106.33 2qab n GLY 494 Ca 0.20 -0.04 -0.39 0.00 0.00 0.00 0.00 46.02 45.79 2qab n GLY 494 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2qab s LEU 495 N 0.00 4.11 1.01 0.99 1.02 -0.35 -5.00 118.68 120.45 2qab s LEU 495 Ca 0.00 2.55 -0.12 0.00 0.02 0.00 0.00 54.13 56.58 2qab s LEU 495 Cb 0.00 -4.06 0.19 0.00 0.02 0.00 0.00 46.19 42.35 2qab s LEU 495 CO 0.00 -0.96 1.08 0.42 0.02 0.00 0.00 176.35 176.91 2qab s THR 496 N -1.35 2.25 0.17 5.49 -4.23 -1.26 -4.58 115.64 112.12 2qab s THR 496 Ca 0.61 0.08 -0.15 0.00 -1.18 0.00 0.00 61.69 61.05 2qab s THR 496 Cb -0.35 -2.40 0.06 0.00 1.34 0.00 0.00 72.50 71.14 2qab s THR 496 CO 0.44 -0.11 1.74 0.25 -0.54 0.00 0.00 174.62 176.41 2qab h LEU 497 N -2.00 0.13 -0.40 4.79 5.85 -1.99 -0.06 115.31 121.64 2qab h LEU 497 Ca -0.54 0.05 0.01 0.00 0.84 0.00 0.00 57.88 58.24 2qab h LEU 497 Cb 1.31 0.05 -0.02 0.00 0.37 0.00 0.00 40.66 42.36 2qab h LEU 497 CO 0.53 0.11 0.26 -0.61 -0.34 0.00 0.00 178.44 178.38 2qab h GLN 498 N 0.30 0.51 -0.47 1.25 4.15 -2.01 -2.53 115.11 116.31 2qab h GLN 498 Ca 0.20 -0.03 -0.02 0.00 0.77 0.00 0.00 58.65 59.57 2qab h GLN 498 Cb 0.20 -0.11 -0.02 0.00 0.21 0.00 0.00 27.48 27.76 2qab h GLN 498 CO -0.22 0.33 0.20 1.96 -1.93 0.00 0.00 178.83 179.18 2qab h GLN 499 N 0.52 0.66 0.02 1.69 4.20 -1.84 -1.65 115.11 118.72 2qab h GLN 499 Ca 0.15 -0.08 -0.00 0.00 0.06 0.00 0.00 58.65 58.78 2qab h GLN 499 Cb -0.04 -0.13 0.00 0.00 0.30 0.00 0.00 27.48 27.61 2qab h GLN 499 CO -0.04 0.53 -0.01 1.96 -0.67 0.00 0.00 178.83 180.60 2qab h GLN 500 N 0.66 -0.03 -0.17 1.46 4.20 -0.59 0.19 115.11 120.84 2qab h GLN 500 Ca 0.16 0.00 -0.14 0.00 0.06 0.00 0.00 58.65 58.74 2qab h GLN 500 Cb 0.11 0.01 -0.01 0.00 0.30 0.00 0.00 27.48 27.88 2qab h GLN 500 CO -0.02 -0.00 -0.49 0.45 -0.67 0.00 0.00 178.83 178.10 2qab h HIS 501 N -0.04 0.56 -0.38 2.96 3.86 -1.36 -1.14 115.15 119.60 2qab h HIS 501 Ca -0.00 -0.18 -0.04 0.00 -1.16 0.00 0.00 60.37 58.99 2qab h HIS 501 Cb 0.04 -0.11 -0.02 0.00 1.06 0.00 0.00 27.41 28.38 2qab h HIS 501 CO -0.07 0.86 0.10 1.96 0.86 0.00 0.00 177.93 181.63 2qab h GLN 502 N 0.36 0.61 -0.30 2.45 4.20 -1.10 -2.01 115.11 119.32 2qab h GLN 502 Ca 0.02 -0.15 -0.15 0.00 0.06 0.00 0.00 58.65 58.43 2qab h GLN 502 Cb 0.99 -0.08 -0.01 0.00 0.30 0.00 0.00 27.48 28.68 2qab h GLN 502 CO 0.09 0.64 -0.43 -0.09 -0.67 0.00 0.00 178.83 178.36 2qab h ARG 503 N 0.47 0.76 -0.56 1.46 2.43 -0.54 -1.28 114.38 117.11 2qab h ARG 503 Ca 0.12 -0.42 0.07 0.00 -0.81 0.00 0.00 59.98 58.95 2qab h ARG 503 Cb 0.30 0.02 -0.06 0.00 -0.42 0.00 0.00 29.97 29.82 2qab h ARG 503 CO 0.00 1.04 0.24 1.25 -1.51 0.00 0.00 179.97 180.99 2qab h LEU 504 N 0.61 0.29 -0.17 3.80 5.85 -1.07 -0.79 115.31 123.83 2qab h LEU 504 Ca 0.04 0.06 -0.01 0.00 0.84 0.00 0.00 57.88 58.81 2qab h LEU 504 Cb 0.99 0.01 -0.01 0.00 0.37 0.00 0.00 40.66 42.03 2qab h LEU 504 CO 0.09 0.19 0.06 0.00 -0.34 0.00 0.00 178.44 178.45 2qab h ALA 505 N 1.35 0.23 -0.97 1.25 0.00 -1.12 -2.09 119.26 117.92 2qab h ALA 505 Ca 0.27 -0.12 0.10 0.00 0.00 0.00 0.00 54.91 55.16 2qab h ALA 505 Cb 0.27 -0.07 -0.08 0.00 0.00 0.00 0.00 17.79 17.91 2qab h ALA 505 CO -0.24 -0.17 0.60 1.96 0.00 0.00 0.00 179.25 181.41 2qab h GLN 506 N 0.12 0.97 -0.31 0.00 4.20 -0.73 -0.49 115.11 118.88 2qab h GLN 506 Ca 0.06 -0.06 -0.15 0.00 0.06 0.00 0.00 58.65 58.56 2qab h GLN 506 Cb 0.20 -0.22 -0.00 0.00 0.30 0.00 0.00 27.48 27.75 2qab h GLN 506 CO -0.00 0.64 -0.38 -0.07 -0.67 0.00 0.00 178.83 178.35 2qab h LEU 507 N 1.00 0.87 -0.67 1.46 3.38 -1.06 -3.08 115.31 117.20 2qab h LEU 507 Ca 0.46 -0.49 -0.14 0.00 0.09 0.00 0.00 57.88 57.80 2qab h LEU 507 Cb 0.38 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.87 2qab h LEU 507 CO -0.24 1.18 -0.64 -0.07 0.09 0.00 0.00 178.44 178.76 2qab h LEU 508 N 0.57 0.12 -1.61 1.67 3.38 -0.89 -2.87 115.31 115.67 2qab h LEU 508 Ca 0.04 -0.07 -0.04 0.00 0.09 0.00 0.00 57.88 57.89 2qab h LEU 508 Cb 0.97 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 41.68 2qab h LEU 508 CO 0.09 0.73 -0.21 -0.07 0.09 0.00 0.00 178.44 179.06 2qab h LEU 509 N 0.07 0.00 -1.38 1.67 3.38 -1.11 -1.92 115.31 116.03 2qab h LEU 509 Ca -0.01 0.00 0.04 0.00 0.09 0.00 0.00 57.88 58.00 2qab h LEU 509 Cb 1.15 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.86 2qab h LEU 509 CO 0.09 0.21 0.46 0.40 0.09 0.00 0.00 178.44 179.69 2qab h ILE 510 N 0.00 1.07 -0.14 1.22 1.08 -1.41 -2.47 117.51 116.85 2qab h ILE 510 Ca -0.00 -0.27 0.01 0.00 -0.39 0.00 0.00 64.86 64.20 2qab h ILE 510 Cb 0.41 0.21 -0.01 0.00 -3.07 0.00 0.00 36.82 34.37 2qab h ILE 510 CO 0.03 0.14 0.10 -0.07 -0.69 0.00 0.00 178.15 177.66 2qab h LEU 511 N 0.79 0.14 -0.83 1.44 3.38 -1.42 0.00 115.31 118.83 2qab h LEU 511 Ca 0.28 -0.00 -0.08 0.00 0.09 0.00 0.00 57.88 58.17 2qab h LEU 511 Cb 0.12 -0.04 -0.02 0.00 0.09 0.00 0.00 40.66 40.82 2qab h LEU 511 CO -0.08 0.10 0.03 -1.28 0.09 0.00 0.00 178.44 177.30 2qab h SER 512 N 0.17 0.87 0.13 -0.43 0.87 -1.53 -0.22 113.55 113.41 2qab h SER 512 Ca 0.05 -0.21 -0.13 0.00 -1.23 0.00 0.00 61.79 60.27 2qab h SER 512 Cb 0.02 -0.23 -0.01 0.00 -0.44 0.00 0.00 62.40 61.73 2qab h SER 512 CO -0.01 0.92 -0.45 -0.74 -0.53 0.00 0.00 176.83 176.02 2qab h HIS 513 N 0.85 0.47 -0.32 2.24 -0.00 -1.09 -2.04 115.15 115.26 2qab h HIS 513 Ca 0.16 -0.14 -0.14 0.00 -0.00 0.00 0.00 60.37 60.26 2qab h HIS 513 Cb 0.46 -0.10 -0.00 0.00 -0.00 0.00 0.00 27.41 27.76 2qab h HIS 513 CO 0.03 0.77 -0.33 0.82 -0.00 0.00 0.00 177.93 179.22 2qab h ILE 514 N 0.32 1.29 -0.34 6.26 2.04 -0.79 -0.87 117.51 125.43 2qab h ILE 514 Ca 0.02 -1.50 0.06 0.00 1.00 0.00 0.00 64.86 64.44 2qab h ILE 514 Cb 0.91 1.53 -0.06 0.00 -0.74 0.00 0.00 36.82 38.47 2qab h ILE 514 CO 0.08 0.49 -0.02 -0.09 0.00 0.00 0.00 178.15 178.61 2qab h ARG 515 N 0.55 0.07 -0.34 2.37 9.65 -0.99 0.57 114.38 126.26 2qab h ARG 515 Ca 0.05 -0.00 0.05 0.00 -1.10 0.00 0.00 59.98 58.97 2qab h ARG 515 Cb 0.91 -0.02 -0.05 0.00 -1.39 0.00 0.00 29.97 29.43 2qab h ARG 515 CO 0.08 0.05 0.06 1.25 2.80 0.00 0.00 179.97 184.21 2qab h HIS 516 N 0.07 0.09 -0.84 2.20 2.76 -1.04 0.22 115.15 118.62 2qab h HIS 516 Ca 0.17 0.02 -0.01 0.00 -2.20 0.00 0.00 60.37 58.34 2qab h HIS 516 Cb 0.23 0.01 -0.04 0.00 1.55 0.00 0.00 27.41 29.16 2qab h HIS 516 CO -0.26 0.01 0.48 0.52 -1.30 0.00 0.00 177.93 177.38 2qab h MET 517 N 0.17 1.16 -0.33 5.26 2.86 -0.79 -1.56 114.93 121.71 2qab h MET 517 Ca 0.16 -0.12 -0.02 0.00 -2.06 0.00 0.00 59.70 57.66 2qab h MET 517 Cb 0.19 -0.23 -0.01 0.00 0.06 0.00 0.00 31.60 31.60 2qab h MET 517 CO -0.22 0.84 0.13 1.03 1.06 0.00 0.00 176.91 179.75 2qab h SER 518 N 1.17 0.46 -0.68 1.22 0.87 -0.42 0.40 113.55 116.57 2qab h SER 518 Ca 0.30 -0.17 0.09 0.00 -1.23 0.00 0.00 61.79 60.78 2qab h SER 518 Cb -0.00 -0.12 -0.07 0.00 -0.44 0.00 0.00 62.40 61.77 2qab h SER 518 CO -0.05 0.50 0.31 0.78 -0.53 0.00 0.00 176.83 177.85 2qab h ASN 519 N 0.38 0.38 -0.02 6.23 2.35 -0.56 0.18 115.58 124.53 2qab h ASN 519 Ca 0.11 0.07 -0.24 0.00 -0.55 0.00 0.00 56.30 55.69 2qab h ASN 519 Cb 0.19 0.01 0.01 0.00 0.05 0.00 0.00 38.32 38.58 2qab h ASN 519 CO -0.01 0.22 -0.88 0.11 -1.65 0.00 0.00 177.43 175.22 2qab h LYS 520 N 0.54 0.70 -0.25 0.81 1.79 -1.17 -2.30 116.57 116.69 2qab h LYS 520 Ca 0.34 -0.64 -0.06 0.00 -2.18 0.00 0.00 60.65 58.10 2qab h LYS 520 Cb 0.37 0.16 -0.01 0.00 -1.58 0.00 0.00 32.23 31.17 2qab h LYS 520 CO -0.28 1.25 -0.11 0.78 -1.08 0.00 0.00 179.45 180.01 2qab h GLY 521 N 0.63 0.44 0.95 3.86 0.00 -0.74 -0.34 103.07 107.87 2qab h GLY 521 Ca -0.08 -0.28 -0.11 0.00 0.00 0.00 0.00 47.33 46.86 2qab h GLY 521 CO 0.17 0.26 -0.25 1.98 0.00 0.00 0.00 176.54 178.71 2qab h MET 522 N 0.38 0.68 -0.49 4.80 1.85 -0.91 0.26 114.93 121.50 2qab h MET 522 Ca 0.08 -0.34 0.06 0.00 -0.61 0.00 0.00 59.70 58.88 2qab h MET 522 Cb 0.43 0.01 -0.05 0.00 0.43 0.00 0.00 31.60 32.41 2qab h MET 522 CO 0.02 0.95 0.20 0.93 -0.40 0.00 0.00 176.91 178.62 2qab h GLU 523 N 0.42 0.39 -0.56 0.39 5.08 -1.26 0.19 114.58 119.23 2qab h GLU 523 Ca 0.05 -0.02 -0.11 0.00 -1.00 0.00 0.00 59.36 58.27 2qab h GLU 523 Cb 0.81 -0.09 -0.02 0.00 0.50 0.00 0.00 28.75 29.95 2qab h GLU 523 CO 0.06 0.26 -0.09 1.25 -1.00 0.00 0.00 179.01 179.49 2qab h HIS 524 N 0.40 1.17 -0.57 4.33 2.76 -0.72 -1.25 115.15 121.28 2qab h HIS 524 Ca 0.23 -0.24 -0.09 0.00 -2.20 0.00 0.00 60.37 58.08 2qab h HIS 524 Cb 0.21 -0.29 -0.02 0.00 1.55 0.00 0.00 27.41 28.85 2qab h HIS 524 CO -0.14 1.07 0.01 1.25 -1.30 0.00 0.00 177.93 178.83 2qab h LEU 525 N 0.94 0.97 -0.65 0.26 5.85 -0.33 -1.78 115.31 120.57 2qab h LEU 525 Ca 0.15 -0.30 0.03 0.00 0.84 0.00 0.00 57.88 58.60 2qab h LEU 525 Cb 0.67 -0.26 -0.04 0.00 0.37 0.00 0.00 40.66 41.39 2qab h LEU 525 CO 0.05 1.03 0.40 0.22 -0.34 0.00 0.00 178.44 179.80 2qab h TYR 526 N 0.88 0.74 -0.53 1.25 5.03 -0.70 -0.87 116.97 122.77 2qab h TYR 526 Ca 0.16 0.02 -0.00 0.00 2.58 0.00 0.00 58.73 61.49 2qab h TYR 526 Cb 0.53 -0.24 -0.03 0.00 1.55 0.00 0.00 36.73 38.54 2qab h TYR 526 CO 0.04 0.42 0.33 1.03 -1.32 0.00 0.00 178.16 178.66 2qab h SER 527 N 0.78 0.63 -0.78 -2.11 0.87 -0.96 0.10 113.55 112.08 2qab h SER 527 Ca 0.26 -0.04 -0.04 0.00 -1.23 0.00 0.00 61.79 60.74 2qab h SER 527 Cb 0.03 -0.16 -0.03 0.00 -0.44 0.00 0.00 62.40 61.80 2qab h SER 527 CO -0.11 0.49 0.33 0.24 -0.53 0.00 0.00 176.83 177.25 2qab h MET 528 N 0.72 1.16 -0.24 2.24 2.86 -1.01 -1.44 114.93 119.21 2qab h MET 528 Ca 0.19 -0.20 -0.01 0.00 -2.06 0.00 0.00 59.70 57.63 2qab h MET 528 Cb -0.04 -0.19 -0.01 0.00 0.06 0.00 0.00 31.60 31.42 2qab h MET 528 CO -0.04 0.92 0.11 -0.22 1.06 0.00 0.00 176.91 178.75 2qab h LYS 529 N 1.12 0.35 0.00 1.72 3.11 -0.80 -1.49 116.57 120.59 2qab h LYS 529 Ca 0.26 -0.06 0.00 0.00 -2.81 0.00 0.00 60.65 58.05 2qab h LYS 529 Cb 0.18 -0.06 0.00 0.00 -1.00 0.00 0.00 32.23 31.35 2qab h LYS 529 CO -0.03 0.37 0.00 0.00 -2.81 0.00 0.00 179.45 176.98 2qab n LYS 531 N -2.16 2.42 -3.84 0.00 5.02 -0.57 -4.97 118.16 114.06 2qab n LYS 531 Ca 0.03 -2.19 -0.28 0.00 -2.02 0.00 0.00 58.31 53.84 2qab n LYS 531 Cb 0.25 -1.43 0.04 0.00 -0.02 0.00 0.00 35.03 33.86 2qab n LYS 531 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 2qab n ASN 532 N 1.20 -4.96 0.08 4.39 5.03 -0.81 -4.86 115.26 115.34 2qab n ASN 532 Ca 0.17 -0.73 -0.14 0.00 0.87 0.00 0.00 54.58 54.75 2qab n ASN 532 Cb 0.53 -4.14 -0.08 0.00 -1.02 0.00 0.00 39.78 35.07 2qab n ASN 532 CO 0.00 0.00 0.00 0.58 -1.83 0.00 0.00 177.26 176.01 2qab h VAL 533 N -2.21 1.44 -2.60 2.41 2.07 -1.53 -3.47 116.25 112.36 2qab h VAL 533 Ca -0.58 -2.67 -0.11 0.00 0.82 0.00 0.00 66.70 64.17 2qab h VAL 533 Cb 1.37 2.61 -0.24 0.00 -1.52 0.00 0.00 31.29 33.52 2qab h VAL 533 CO 0.64 0.79 -0.18 0.54 0.02 0.00 0.00 177.57 179.38 2qab s VAL 534 N -3.04 -0.00 -0.09 2.57 0.11 -1.26 -4.65 120.40 114.04 2qab s VAL 534 Ca -0.05 0.01 -0.29 0.00 -2.93 0.00 0.00 61.98 58.72 2qab s VAL 534 Cb 0.08 -0.65 -0.01 0.00 -1.53 0.00 0.00 36.38 34.26 2qab s VAL 534 CO 0.87 0.00 0.99 -2.16 -3.33 0.00 0.00 175.10 171.48 2qab s PRO 535 N 0.40 4.44 0.07 1.54 0.04 -1.26 -4.75 135.00 135.48 2qab s PRO 535 Ca -0.01 1.37 -0.10 0.00 0.04 0.00 0.00 61.00 62.30 2qab s PRO 535 Cb -0.04 -3.53 -0.06 0.00 0.04 0.00 0.00 34.50 30.91 2qab s PRO 535 CO -0.01 -0.27 0.40 -0.51 0.04 0.00 0.00 177.00 176.65 2qab s LEU 536 N 1.85 4.36 0.80 -3.56 1.43 -1.26 -4.99 118.68 117.32 2qab s LEU 536 Ca 0.48 0.81 -0.11 0.00 -1.03 0.00 0.00 54.13 54.28 2qab s LEU 536 Cb -0.19 -2.93 0.08 0.00 0.03 0.00 0.00 46.19 43.18 2qab s LEU 536 CO 0.19 0.19 1.13 -0.94 0.23 0.00 0.00 176.35 177.15 2qab s SER 537 N -1.68 3.98 0.29 2.29 1.04 -1.26 -4.75 113.70 113.60 2qab s SER 537 Ca 0.32 2.04 -0.00 0.00 0.48 0.00 0.00 55.95 58.79 2qab s SER 537 Cb -0.14 -2.55 0.49 0.00 0.10 0.00 0.00 66.02 63.92 2qab s SER 537 CO 0.17 -2.39 1.89 0.44 0.98 0.00 0.00 173.24 174.33 2qab h ASP 538 N -1.14 0.96 -0.02 7.02 3.32 -1.98 0.39 116.42 124.97 2qab h ASP 538 Ca -0.44 0.01 0.01 0.00 0.02 0.00 0.00 57.03 56.63 2qab h ASP 538 Cb 1.25 -0.19 -0.01 0.00 0.22 0.00 0.00 39.33 40.60 2qab h ASP 538 CO 0.48 0.60 -0.05 0.25 -1.72 0.00 0.00 179.24 178.80 2qab h LEU 539 N 1.08 -0.15 -0.72 1.55 5.85 -1.99 0.52 115.31 121.46 2qab h LEU 539 Ca 0.42 0.03 -0.08 0.00 0.84 0.00 0.00 57.88 59.09 2qab h LEU 539 Cb 0.23 0.07 -0.03 0.00 0.37 0.00 0.00 40.66 41.30 2qab h LEU 539 CO -0.17 -0.07 0.11 0.25 -0.34 0.00 0.00 178.44 178.21 2qab h LEU 540 N -0.08 1.04 -0.60 2.25 5.85 -1.77 0.27 115.31 122.27 2qab h LEU 540 Ca 0.03 -0.25 0.04 0.00 0.84 0.00 0.00 57.88 58.54 2qab h LEU 540 Cb 0.12 -0.28 -0.05 0.00 0.37 0.00 0.00 40.66 40.83 2qab h LEU 540 CO -0.07 1.03 0.34 -0.07 -0.34 0.00 0.00 178.44 179.34 2qab h LEU 541 N 1.02 0.53 -0.24 2.25 -0.00 -0.64 0.80 115.31 119.03 2qab h LEU 541 Ca 0.20 0.02 -0.03 0.00 -0.00 0.00 0.00 57.88 58.07 2qab h LEU 541 Cb 0.44 -0.09 -0.01 0.00 -0.00 0.00 0.00 40.66 41.00 2qab h LEU 541 CO 0.01 0.36 0.02 -0.33 -0.00 0.00 0.00 178.44 178.50 2qab h GLU 542 N 0.66 0.40 -0.99 1.13 5.08 -0.10 0.03 114.58 120.79 2qab h GLU 542 Ca 0.26 -0.12 0.05 0.00 -1.00 0.00 0.00 59.36 58.54 2qab h GLU 542 Cb 0.11 -0.04 -0.06 0.00 0.50 0.00 0.00 28.75 29.25 2qab h GLU 542 CO -0.14 0.56 0.65 0.52 -1.00 0.00 0.00 179.01 179.60 2qab h MET 543 N 0.19 1.19 -0.11 2.33 2.86 -0.64 -2.17 114.93 118.58 2qab h MET 543 Ca 0.07 -0.07 -0.06 0.00 -2.06 0.00 0.00 59.70 57.58 2qab h MET 543 Cb 0.37 -0.27 -0.00 0.00 0.06 0.00 0.00 31.60 31.76 2qab h MET 543 CO 0.01 0.79 -0.17 1.25 1.06 0.00 0.00 176.91 179.85 2qab h LEU 544 N 1.23 0.33 -2.67 1.22 5.85 -0.73 -3.21 115.31 117.32 2qab h LEU 544 Ca 0.41 -0.53 -0.00 0.00 0.84 0.00 0.00 57.88 58.59 2qab h LEU 544 Cb 0.06 -0.09 -0.00 0.00 0.37 0.00 0.00 40.66 40.99 2qab h LEU 544 CO -0.14 0.80 -0.01 0.44 -0.34 0.00 0.00 178.44 179.19 2qab h ASP 545 N -0.13 0.00 0.58 1.25 5.19 -0.68 -0.95 116.42 121.69 2qab h ASP 545 Ca 0.01 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.42 2qab h ASP 545 Cb 0.73 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.24 2qab h ASP 545 CO 0.04 0.01 0.00 0.00 -3.12 0.00 0.00 179.24 176.17 2qab h ALA 546 N 1.99 1.00 -0.25 3.45 0.00 -1.40 -1.85 119.26 122.20 2qab h ALA 546 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2qab h ALA 546 Cb 0.06 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.85 2qab h ALA 546 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 179.25 179.97 2qab n HIS 547 N -2.32 0.31 -1.38 0.00 8.25 -0.36 -3.96 115.22 115.77 2qab n HIS 547 Ca 0.01 -0.16 0.08 0.00 -0.26 0.00 0.00 57.72 57.39 2qab n HIS 547 Cb 0.19 0.00 0.17 0.00 1.12 0.00 0.00 29.99 31.48 2qab n HIS 547 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 2qab n ARG 548 N 1.14 1.42 0.00 -0.41 5.12 -0.70 -5.14 116.66 118.09 2qab n ARG 548 Ca 0.18 -2.95 0.00 0.00 -1.93 0.00 0.00 57.85 53.15 2qab n ARG 548 Cb 0.53 -1.54 0.00 0.00 -1.16 0.00 0.00 32.46 30.29 2qab n ARG 548 CO 0.00 0.00 0.00 -0.11 -1.93 0.00 0.00 177.63 175.59