#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qxs h ALA 307 N 0.00 1.55 -0.00 1.96 0.00 -1.99 -2.80 119.26 117.98 2qxs h ALA 307 Ca 0.00 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.75 2qxs h ALA 307 Cb 0.00 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.68 2qxs h ALA 307 CO 0.00 0.33 -0.00 1.28 0.00 0.00 0.00 179.25 180.86 2qxs n LEU 308 N -4.33 0.12 -0.12 0.00 4.77 -1.26 -2.76 117.00 113.42 2qxs n LEU 308 Ca 0.00 -0.04 0.10 0.00 -0.03 0.00 0.00 56.01 56.05 2qxs n LEU 308 Cb 0.21 -0.00 -0.09 0.00 -2.33 0.00 0.00 43.42 41.21 2qxs n LEU 308 CO 0.37 0.02 0.04 -1.54 -1.33 0.00 0.00 177.39 174.96 2qxs n SER 309 N -0.91 1.25 -4.72 -1.43 3.41 -1.05 -4.97 113.62 105.20 2qxs n SER 309 Ca 0.23 -1.12 -0.42 0.00 -0.26 0.00 0.00 58.87 57.30 2qxs n SER 309 Cb 0.13 0.87 0.00 0.00 -0.26 0.00 0.00 64.21 64.95 2qxs n SER 309 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 2qxs n LEU 310 N -1.14 4.06 -4.85 1.04 4.77 -1.11 -5.02 117.00 114.75 2qxs n LEU 310 Ca 0.05 1.19 -0.30 0.00 -0.03 0.00 0.00 56.01 56.93 2qxs n LEU 310 Cb 0.36 -1.53 0.08 0.00 -2.33 0.00 0.00 43.42 40.00 2qxs n LEU 310 CO 0.39 -0.32 0.74 0.42 -1.33 0.00 0.00 177.39 177.29 2qxs s THR 311 N -1.13 2.88 0.22 -5.08 -4.23 -1.26 -4.84 115.64 102.21 2qxs s THR 311 Ca 0.56 0.29 -0.08 0.00 -1.18 0.00 0.00 61.69 61.27 2qxs s THR 311 Cb -0.53 -3.17 0.16 0.00 1.34 0.00 0.00 72.50 70.31 2qxs s THR 311 CO 0.62 -0.37 1.83 0.00 -0.54 0.00 0.00 174.62 176.15 2qxs h ALA 312 N -0.98 0.99 -0.80 3.99 0.00 -1.94 0.74 119.26 121.26 2qxs h ALA 312 Ca -0.47 -0.00 -0.03 0.00 0.00 0.00 0.00 54.91 54.42 2qxs h ALA 312 Cb 1.28 -0.18 -0.04 0.00 0.00 0.00 0.00 17.79 18.85 2qxs h ALA 312 CO 0.62 0.16 0.40 -0.44 0.00 0.00 0.00 179.25 180.00 2qxs h ASP 313 N 0.82 1.03 0.12 0.00 3.32 -1.95 -1.69 116.42 118.06 2qxs h ASP 313 Ca 0.32 -0.11 -0.14 0.00 0.02 0.00 0.00 57.03 57.12 2qxs h ASP 313 Cb 0.14 -0.26 -0.01 0.00 0.22 0.00 0.00 39.33 39.41 2qxs h ASP 313 CO -0.16 0.86 -0.48 1.56 -1.72 0.00 0.00 179.24 179.29 2qxs h GLN 314 N 1.13 0.42 -0.07 3.56 4.20 -1.73 -1.93 115.11 120.68 2qxs h GLN 314 Ca 0.28 -0.24 -0.00 0.00 0.06 0.00 0.00 58.65 58.75 2qxs h GLN 314 Cb 0.09 0.02 -0.00 0.00 0.30 0.00 0.00 27.48 27.88 2qxs h GLN 314 CO -0.04 0.81 0.04 1.98 -0.67 0.00 0.00 178.83 180.95 2qxs h MET 315 N 0.33 0.11 -0.32 1.46 4.05 -0.53 -1.54 114.93 118.48 2qxs h MET 315 Ca 0.02 -0.01 0.01 0.00 -0.28 0.00 0.00 59.70 59.43 2qxs h MET 315 Cb 0.98 -0.02 -0.02 0.00 -0.80 0.00 0.00 31.60 31.74 2qxs h MET 315 CO 0.08 0.18 0.20 0.28 0.23 0.00 0.00 176.91 177.88 2qxs h VAL 316 N 0.01 1.05 -0.70 -5.77 2.07 -1.20 -1.40 116.25 110.32 2qxs h VAL 316 Ca 0.03 -0.14 -0.01 0.00 0.82 0.00 0.00 66.70 67.39 2qxs h VAL 316 Cb 0.11 0.62 -0.03 0.00 -1.52 0.00 0.00 31.29 30.46 2qxs h VAL 316 CO -0.00 0.07 0.38 0.28 0.02 0.00 0.00 177.57 178.32 2qxs h SER 317 N 0.40 0.88 -0.33 0.57 0.02 -1.32 -0.49 113.55 113.28 2qxs h SER 317 Ca 0.12 -0.10 0.04 0.00 -0.84 0.00 0.00 61.79 61.01 2qxs h SER 317 Cb -0.02 -0.22 -0.03 0.00 0.14 0.00 0.00 62.40 62.26 2qxs h SER 317 CO -0.05 0.72 0.12 0.00 -1.14 0.00 0.00 176.83 176.49 2qxs h ALA 318 N 1.19 0.39 -0.53 3.77 0.00 -1.02 -1.26 119.26 121.79 2qxs h ALA 318 Ca 0.25 0.03 -0.11 0.00 0.00 0.00 0.00 54.91 55.08 2qxs h ALA 318 Cb 0.05 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.82 2qxs h ALA 318 CO -0.04 -0.27 -0.08 -0.07 0.00 0.00 0.00 179.25 178.79 2qxs h LEU 319 N 0.27 0.99 -0.77 0.00 3.38 -0.97 -2.24 115.31 115.97 2qxs h LEU 319 Ca 0.15 -0.34 -0.05 0.00 0.09 0.00 0.00 57.88 57.73 2qxs h LEU 319 Cb 0.11 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 40.56 2qxs h LEU 319 CO -0.14 1.10 0.29 -0.07 0.09 0.00 0.00 178.44 179.71 2qxs h LEU 320 N 0.87 1.08 -1.64 1.67 3.38 -0.91 -2.52 115.31 117.25 2qxs h LEU 320 Ca 0.14 -0.18 -0.03 0.00 0.09 0.00 0.00 57.88 57.90 2qxs h LEU 320 Cb 0.64 -0.28 -0.00 0.00 0.09 0.00 0.00 40.66 41.11 2qxs h LEU 320 CO 0.04 0.97 -0.13 0.44 0.09 0.00 0.00 178.44 179.86 2qxs h ASP 321 N 1.13 0.00 0.51 -0.43 3.32 -1.08 -3.01 116.42 116.86 2qxs h ASP 321 Ca 0.26 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.31 2qxs h ASP 321 Cb 0.24 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.79 2qxs h ASP 321 CO -0.02 0.13 -0.20 0.00 -1.72 0.00 0.00 179.24 177.43 2qxs n ALA 322 N -2.21 2.91 -1.70 3.45 0.00 -0.86 -4.96 120.51 117.13 2qxs n ALA 322 Ca -0.01 -0.27 -0.44 0.00 0.00 0.00 0.00 53.44 52.73 2qxs n ALA 322 Cb 0.30 -1.29 -0.03 0.00 0.00 0.00 0.00 19.45 18.44 2qxs n ALA 322 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 2qxs n GLU 323 N -1.17 2.39 -1.48 0.00 -0.58 -1.14 -4.49 120.64 114.18 2qxs n GLU 323 Ca 0.10 0.86 -0.30 0.00 -0.42 0.00 0.00 57.16 57.40 2qxs n GLU 323 Cb 0.31 -2.61 0.08 0.00 -0.57 0.00 0.00 31.44 28.65 2qxs n GLU 323 CO 0.00 0.00 0.00 -1.25 -0.48 0.00 0.00 177.13 175.40 2qxs s PRO 324 N 0.13 2.31 0.84 3.49 0.04 -1.26 -5.04 135.00 135.51 2qxs s PRO 324 Ca 0.70 0.85 -0.11 0.00 0.04 0.00 0.00 61.00 62.48 2qxs s PRO 324 Cb -0.58 -1.93 0.09 0.00 0.04 0.00 0.00 34.50 32.12 2qxs s PRO 324 CO 0.44 -1.51 1.09 -1.25 0.04 0.00 0.00 177.00 175.81 2qxs s PRO 325 N -5.06 1.76 -0.28 0.56 0.04 -1.26 -5.03 135.00 125.74 2qxs s PRO 325 Ca 0.60 0.77 -0.18 0.00 0.04 0.00 0.00 61.00 62.24 2qxs s PRO 325 Cb -0.15 -1.87 -0.02 0.00 0.04 0.00 0.00 34.50 32.50 2qxs s PRO 325 CO 0.55 -1.88 0.50 0.42 0.04 0.00 0.00 177.00 176.63 2qxs s ILE 326 N -3.03 5.07 0.45 0.56 1.01 -1.26 -5.07 121.20 118.92 2qxs s ILE 326 Ca 0.62 0.74 -0.02 0.00 0.00 0.00 0.00 60.65 61.99 2qxs s ILE 326 Cb -0.16 -3.85 -0.02 0.00 0.01 0.00 0.00 42.46 38.45 2qxs s ILE 326 CO 0.56 0.03 0.69 -0.76 0.00 0.00 0.00 174.94 175.45 2qxs s LEU 327 N 2.31 3.69 0.10 2.97 1.43 -1.26 -5.01 118.68 122.91 2qxs s LEU 327 Ca 0.20 0.52 0.03 0.00 -1.03 0.00 0.00 54.13 53.85 2qxs s LEU 327 Cb -0.16 -3.41 -0.04 0.00 0.03 0.00 0.00 46.19 42.62 2qxs s LEU 327 CO 0.10 -0.61 0.14 -0.31 0.23 0.00 0.00 176.35 175.91 2qxs s TYR 328 N -2.59 3.29 0.42 0.29 1.51 -1.26 -4.37 117.35 114.64 2qxs s TYR 328 Ca 0.47 0.10 -0.25 0.00 -1.01 0.00 0.00 57.07 56.37 2qxs s TYR 328 Cb -0.10 -1.63 -0.08 0.00 -0.11 0.00 0.00 41.96 40.03 2qxs s TYR 328 CO 0.40 0.54 1.28 0.45 -1.11 0.00 0.00 175.55 177.10 2qxs s SER 329 N -2.67 6.26 -0.52 2.29 0.15 -1.26 -4.93 113.70 113.03 2qxs s SER 329 Ca 0.32 2.60 -0.22 0.00 0.70 0.00 0.00 55.95 59.35 2qxs s SER 329 Cb -0.12 -2.63 0.05 0.00 -1.71 0.00 0.00 66.02 61.61 2qxs s SER 329 CO 0.24 -0.88 0.79 -1.61 1.20 0.00 0.00 173.24 172.99 2qxs s GLU 330 N -2.32 3.25 0.00 5.44 2.02 -1.26 -5.02 118.70 120.81 2qxs s GLU 330 Ca 0.58 -0.50 0.00 0.00 0.02 0.00 0.00 54.97 55.07 2qxs s GLU 330 Cb -0.37 -4.06 0.00 0.00 0.10 0.00 0.00 34.13 29.81 2qxs s GLU 330 CO 0.47 -1.33 0.00 2.48 0.02 0.00 0.00 175.26 176.90 2qxs n TYR 331 N 6.83 0.00 0.00 1.61 4.11 -1.26 -4.97 117.16 123.48 2qxs n TYR 331 Ca -0.02 0.00 0.00 0.00 -0.00 0.00 0.00 57.90 57.88 2qxs n TYR 331 Cb 0.47 0.00 0.00 0.00 -0.00 0.00 0.00 39.34 39.81 2qxs n TYR 331 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.86 176.86 2qxs n ALA 340 N -3.00 0.00 -0.12 -3.48 0.00 -1.26 -5.30 120.51 107.34 2qxs n ALA 340 Ca 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 53.44 53.35 2qxs n ALA 340 Cb 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.44 2qxs n ALA 340 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 2qxs h SER 341 N 0.00 0.50 -0.31 0.00 4.64 -2.01 -0.95 113.55 115.41 2qxs h SER 341 Ca 0.00 -0.14 0.06 0.00 -0.47 0.00 0.00 61.79 61.25 2qxs h SER 341 Cb 0.00 -0.13 -0.06 0.00 -0.31 0.00 0.00 62.40 61.90 2qxs h SER 341 CO 0.00 0.50 -0.05 -0.03 -0.87 0.00 0.00 176.83 176.37 2qxs h MET 342 N 0.47 0.03 -0.45 4.77 4.05 -1.99 0.02 114.93 121.82 2qxs h MET 342 Ca 0.13 -0.00 -0.08 0.00 -0.28 0.00 0.00 59.70 59.46 2qxs h MET 342 Cb 0.13 -0.01 -0.02 0.00 -0.80 0.00 0.00 31.60 30.91 2qxs h MET 342 CO -0.02 0.02 -0.06 0.52 0.23 0.00 0.00 176.91 177.60 2qxs h MET 343 N 0.03 0.78 -0.55 0.39 2.86 -1.97 -1.57 114.93 114.90 2qxs h MET 343 Ca 0.15 -0.24 0.05 0.00 -2.06 0.00 0.00 59.70 57.60 2qxs h MET 343 Cb 0.22 -0.08 -0.05 0.00 0.06 0.00 0.00 31.60 31.76 2qxs h MET 343 CO -0.30 0.83 0.28 0.78 1.06 0.00 0.00 176.91 179.57 2qxs h GLY 344 N 0.97 0.78 0.93 8.32 0.00 -0.48 0.83 103.07 114.43 2qxs h GLY 344 Ca 0.13 -0.19 -0.03 0.00 0.00 0.00 0.00 47.33 47.24 2qxs h GLY 344 CO 0.03 0.12 0.12 1.41 0.00 0.00 0.00 176.54 178.22 2qxs h LEU 345 N 0.54 0.56 -0.78 3.11 3.38 -0.63 -1.83 115.31 119.66 2qxs h LEU 345 Ca 0.25 -0.20 -0.11 0.00 0.09 0.00 0.00 57.88 57.90 2qxs h LEU 345 Cb 0.15 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.74 2qxs h LEU 345 CO -0.17 0.62 -0.24 -0.07 0.09 0.00 0.00 178.44 178.67 2qxs h LEU 346 N 0.48 0.67 -0.16 1.67 3.38 -1.04 -1.86 115.31 118.45 2qxs h LEU 346 Ca 0.13 -0.24 -0.02 0.00 0.09 0.00 0.00 57.88 57.83 2qxs h LEU 346 Cb 0.25 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.81 2qxs h LEU 346 CO -0.00 0.89 0.01 0.74 0.09 0.00 0.00 178.44 180.17 2qxs h THR 347 N 0.58 1.24 -0.85 0.22 2.02 -0.75 -0.51 112.91 114.87 2qxs h THR 347 Ca 0.08 -0.80 0.04 0.00 0.77 0.00 0.00 66.41 66.51 2qxs h THR 347 Cb 0.72 1.46 -0.05 0.00 -1.74 0.00 0.00 68.15 68.53 2qxs h THR 347 CO 0.05 0.24 0.54 -1.13 0.37 0.00 0.00 175.52 175.59 2qxs h ASN 348 N 0.04 0.87 0.03 4.18 -0.73 -1.27 -0.75 115.58 117.95 2qxs h ASN 348 Ca 0.05 0.00 -0.00 0.00 1.87 0.00 0.00 56.30 58.22 2qxs h ASN 348 Cb 0.35 -0.18 0.00 0.00 0.27 0.00 0.00 38.32 38.76 2qxs h ASN 348 CO 0.01 0.59 -0.01 0.25 -0.37 0.00 0.00 177.43 177.89 2qxs h LEU 349 N 1.02 -0.03 -0.69 0.34 5.85 -1.19 -2.17 115.31 118.44 2qxs h LEU 349 Ca 0.35 -0.25 0.07 0.00 0.84 0.00 0.00 57.88 58.89 2qxs h LEU 349 Cb 0.07 0.01 -0.06 0.00 0.37 0.00 0.00 40.66 41.04 2qxs h LEU 349 CO -0.14 0.23 0.37 0.00 -0.34 0.00 0.00 178.44 178.57 2qxs h ALA 350 N 0.67 0.94 -0.84 1.25 0.00 -0.90 0.08 119.26 120.46 2qxs h ALA 350 Ca -0.00 0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 2qxs h ALA 350 Cb 0.28 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 17.92 2qxs h ALA 350 CO 0.01 0.03 0.48 -0.44 0.00 0.00 0.00 179.25 179.32 2qxs h ASP 351 N 0.67 1.03 0.32 0.00 3.32 -1.00 -2.20 116.42 118.56 2qxs h ASP 351 Ca 0.32 -0.08 -0.16 0.00 0.02 0.00 0.00 57.03 57.12 2qxs h ASP 351 Cb 0.25 -0.26 -0.01 0.00 0.22 0.00 0.00 39.33 39.53 2qxs h ASP 351 CO -0.21 0.81 -0.66 0.03 -1.72 0.00 0.00 179.24 177.49 2qxs h ARG 352 N 1.16 0.31 0.00 3.56 3.08 -0.77 -3.08 114.38 118.64 2qxs h ARG 352 Ca 0.30 -0.23 -0.04 0.00 0.07 0.00 0.00 59.98 60.07 2qxs h ARG 352 Cb -0.00 0.04 -0.01 0.00 0.08 0.00 0.00 29.97 30.08 2qxs h ARG 352 CO -0.05 0.86 -0.19 0.93 -1.07 0.00 0.00 179.97 180.45 2qxs h GLU 353 N 0.22 0.00 -0.48 0.04 5.08 -0.51 -3.24 114.58 115.69 2qxs h GLU 353 Ca -0.01 0.00 0.04 0.00 -1.00 0.00 0.00 59.36 58.39 2qxs h GLU 353 Cb 1.20 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 30.41 2qxs h GLU 353 CO 0.11 0.19 0.24 1.25 -1.00 0.00 0.00 179.01 179.80 2qxs h LEU 354 N 0.00 0.34 -0.97 1.33 5.85 -1.32 -0.48 115.31 120.06 2qxs h LEU 354 Ca -0.00 0.03 -0.05 0.00 0.84 0.00 0.00 57.88 58.70 2qxs h LEU 354 Cb 0.54 -0.04 -0.03 0.00 0.37 0.00 0.00 40.66 41.50 2qxs h LEU 354 CO 0.02 0.24 0.22 0.58 -0.34 0.00 0.00 178.44 179.16 2qxs h VAL 355 N 0.47 1.23 -0.25 1.05 2.07 -1.74 -1.36 116.25 117.74 2qxs h VAL 355 Ca 0.21 -0.78 -0.09 0.00 0.82 0.00 0.00 66.70 66.85 2qxs h VAL 355 Cb 0.12 0.51 -0.01 0.00 -1.52 0.00 0.00 31.29 30.38 2qxs h VAL 355 CO -0.15 0.31 -0.24 0.45 0.02 0.00 0.00 177.57 177.96 2qxs h HIS 356 N 0.94 0.52 -0.70 1.57 3.86 -1.56 -1.53 115.15 118.24 2qxs h HIS 356 Ca 0.21 -0.10 -0.03 0.00 -1.16 0.00 0.00 60.37 59.29 2qxs h HIS 356 Cb 0.24 -0.13 -0.03 0.00 1.06 0.00 0.00 27.41 28.55 2qxs h HIS 356 CO 0.02 0.67 0.33 1.98 0.86 0.00 0.00 177.93 181.79 2qxs h MET 357 N 0.41 1.01 -0.67 2.45 -1.53 -0.08 -1.20 114.93 115.33 2qxs h MET 357 Ca 0.06 -0.15 -0.03 0.00 -3.44 0.00 0.00 59.70 56.14 2qxs h MET 357 Cb 0.64 -0.18 -0.03 0.00 -0.55 0.00 0.00 31.60 31.48 2qxs h MET 357 CO 0.05 0.80 0.29 0.82 0.14 0.00 0.00 176.91 179.01 2qxs h ILE 358 N 0.98 1.23 -0.79 1.77 5.03 -0.79 0.82 117.51 125.76 2qxs h ILE 358 Ca 0.24 -0.69 0.02 0.00 -0.12 0.00 0.00 64.86 64.31 2qxs h ILE 358 Cb 0.12 0.45 -0.04 0.00 -3.03 0.00 0.00 36.82 34.32 2qxs h ILE 358 CO -0.03 0.28 0.52 0.78 -0.68 0.00 0.00 178.15 179.02 2qxs h ASN 359 N 0.93 0.88 -0.15 1.72 2.35 -1.05 -1.67 115.58 118.58 2qxs h ASN 359 Ca 0.23 -0.01 -0.01 0.00 -0.55 0.00 0.00 56.30 55.96 2qxs h ASN 359 Cb 0.16 -0.21 -0.01 0.00 0.05 0.00 0.00 38.32 38.32 2qxs h ASN 359 CO -0.02 0.62 0.07 -0.25 -1.65 0.00 0.00 177.43 176.20 2qxs h TRP 360 N 1.03 0.22 -0.83 1.19 7.01 -0.85 -3.10 115.95 120.63 2qxs h TRP 360 Ca 0.30 -0.01 0.06 0.00 2.11 0.00 0.00 58.89 61.36 2qxs h TRP 360 Cb -0.06 -0.07 -0.06 0.00 -2.10 0.00 0.00 29.16 26.87 2qxs h TRP 360 CO -0.02 0.25 0.50 0.00 -2.79 0.00 0.00 178.44 176.38 2qxs h ALA 361 N 0.94 1.14 0.00 2.65 0.00 -0.44 -0.13 119.26 123.42 2qxs h ALA 361 Ca 0.05 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.96 2qxs h ALA 361 Cb 0.11 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 17.70 2qxs h ALA 361 CO -0.01 0.22 0.00 0.87 0.00 0.00 0.00 179.25 180.34 2qxs h LYS 362 N 0.91 0.00 -0.01 0.00 1.57 -1.24 -1.96 116.57 115.83 2qxs h LYS 362 Ca 0.37 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.15 2qxs h LYS 362 Cb 0.19 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.50 2qxs h LYS 362 CO -0.18 0.00 -0.43 0.54 -0.57 0.00 0.00 179.45 178.81 2qxs n ARG 363 N -2.58 1.12 -2.27 3.15 1.74 -0.08 -4.60 116.66 113.14 2qxs n ARG 363 Ca -0.01 -0.88 -0.43 0.00 -0.77 0.00 0.00 57.85 55.77 2qxs n ARG 363 Cb 0.13 -1.48 -0.02 0.00 -1.02 0.00 0.00 32.46 30.07 2qxs n ARG 363 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 2qxs s VAL 364 N -2.48 3.96 -0.05 1.55 1.01 -0.74 -4.80 120.40 118.85 2qxs s VAL 364 Ca 0.20 1.12 -0.39 0.00 0.00 0.00 0.00 61.98 62.90 2qxs s VAL 364 Cb 0.18 -3.88 -0.18 0.00 0.00 0.00 0.00 36.38 32.50 2qxs s VAL 364 CO 0.56 -0.28 1.37 -2.65 0.00 0.00 0.00 175.10 174.10 2qxs n PRO 365 N 7.23 0.77 0.00 2.72 -0.02 -1.26 -1.33 135.00 143.11 2qxs n PRO 365 Ca 0.16 0.28 0.00 0.00 -2.02 0.00 0.00 63.50 61.92 2qxs n PRO 365 Cb 0.45 -1.88 0.00 0.00 -0.02 0.00 0.00 33.50 32.05 2qxs n PRO 365 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2qxs n GLY 366 N 2.69 3.12 0.14 -1.23 0.00 -1.26 -4.92 105.19 103.74 2qxs n GLY 366 Ca 0.21 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.15 2qxs n GLY 366 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 2qxs h PHE 367 N 0.00 0.34 0.00 1.61 3.57 -1.49 -2.74 116.94 118.22 2qxs h PHE 367 Ca 0.00 0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.51 2qxs h PHE 367 Cb 0.00 -0.11 0.00 0.00 2.79 0.00 0.00 35.95 38.63 2qxs h PHE 367 CO 0.00 0.20 0.00 1.33 -2.23 0.00 0.00 178.31 177.61 2qxs n VAL 368 N -4.92 0.28 0.43 1.41 0.24 -1.26 -2.09 118.33 112.41 2qxs n VAL 368 Ca -0.01 0.07 0.13 0.00 -2.04 0.00 0.00 64.34 62.49 2qxs n VAL 368 Cb 0.05 -0.68 0.43 0.00 -1.47 0.00 0.00 33.84 32.17 2qxs n VAL 368 CO 0.00 0.00 0.00 0.44 -2.14 0.00 0.00 176.83 175.13 2qxs h ASP 369 N 0.00 0.00 -4.26 -1.34 3.32 -1.88 -3.45 116.42 108.81 2qxs h ASP 369 Ca 0.00 0.00 -0.50 0.00 0.02 0.00 0.00 57.03 56.55 2qxs h ASP 369 Cb 0.25 0.00 0.09 0.00 0.22 0.00 0.00 39.33 39.89 2qxs h ASP 369 CO 0.00 0.00 0.37 -0.76 -1.72 0.00 0.00 179.24 177.13 2qxs s LEU 370 N -5.13 3.29 0.77 1.55 1.43 -0.89 -5.04 118.68 114.66 2qxs s LEU 370 Ca 0.07 1.77 -0.14 0.00 -1.03 0.00 0.00 54.13 54.80 2qxs s LEU 370 Cb 0.09 -4.52 0.06 0.00 0.03 0.00 0.00 46.19 41.86 2qxs s LEU 370 CO 0.55 -1.45 1.22 0.42 0.23 0.00 0.00 176.35 177.32 2qxs s THR 371 N -2.70 2.09 0.26 5.49 -4.23 -1.26 -4.79 115.64 110.50 2qxs s THR 371 Ca 0.62 0.04 -0.05 0.00 -1.18 0.00 0.00 61.69 61.12 2qxs s THR 371 Cb -0.16 -2.57 0.26 0.00 1.34 0.00 0.00 72.50 71.37 2qxs s THR 371 CO 0.46 -0.03 1.94 -0.07 -0.54 0.00 0.00 174.62 176.39 2qxs h LEU 372 N -0.58 1.09 -0.50 4.79 3.38 -1.96 0.18 115.31 121.70 2qxs h LEU 372 Ca -0.47 -0.03 0.09 0.00 0.09 0.00 0.00 57.88 57.55 2qxs h LEU 372 Cb 1.30 -0.27 -0.07 0.00 0.09 0.00 0.00 40.66 41.71 2qxs h LEU 372 CO 0.48 0.79 0.09 -0.74 0.09 0.00 0.00 178.44 179.15 2qxs h HIS 373 N 1.28 0.14 -0.21 1.13 2.76 -2.00 0.02 115.15 118.27 2qxs h HIS 373 Ca 0.34 0.03 -0.16 0.00 -2.20 0.00 0.00 60.37 58.39 2qxs h HIS 373 Cb -0.14 0.01 -0.01 0.00 1.55 0.00 0.00 27.41 28.83 2qxs h HIS 373 CO 0.00 -0.02 -0.51 -0.44 -1.30 0.00 0.00 177.93 175.67 2qxs h ASP 374 N 0.23 0.65 -0.41 3.26 3.32 -1.74 -2.07 116.42 119.66 2qxs h ASP 374 Ca 0.25 -0.33 0.02 0.00 0.02 0.00 0.00 57.03 56.99 2qxs h ASP 374 Cb 0.34 -0.19 -0.03 0.00 0.22 0.00 0.00 39.33 39.68 2qxs h ASP 374 CO -0.33 1.05 0.24 1.56 -1.72 0.00 0.00 179.24 180.03 2qxs h GLN 375 N 0.47 0.47 -0.47 3.56 4.20 -0.49 -1.50 115.11 121.35 2qxs h GLN 375 Ca 0.02 -0.03 0.01 0.00 0.06 0.00 0.00 58.65 58.71 2qxs h GLN 375 Cb 1.05 -0.11 -0.03 0.00 0.30 0.00 0.00 27.48 28.70 2qxs h GLN 375 CO 0.10 0.31 0.30 0.28 -0.67 0.00 0.00 178.83 179.15 2qxs h VAL 376 N 0.49 1.10 -0.42 -0.54 2.07 -0.88 -2.01 116.25 116.06 2qxs h VAL 376 Ca 0.17 -0.21 0.03 0.00 0.82 0.00 0.00 66.70 67.51 2qxs h VAL 376 Cb 0.02 0.44 -0.03 0.00 -1.52 0.00 0.00 31.29 30.19 2qxs h VAL 376 CO -0.08 0.11 0.21 -0.74 0.02 0.00 0.00 177.57 177.10 2qxs h HIS 377 N 0.61 0.40 -0.64 1.57 -0.00 -1.08 0.18 115.15 116.18 2qxs h HIS 377 Ca 0.17 0.02 0.04 0.00 -0.00 0.00 0.00 60.37 60.60 2qxs h HIS 377 Cb -0.05 -0.12 -0.05 0.00 -0.00 0.00 0.00 27.41 27.20 2qxs h HIS 377 CO -0.05 0.21 0.38 -0.07 -0.00 0.00 0.00 177.93 178.40 2qxs h LEU 378 N 0.43 0.60 -0.67 0.26 3.38 -1.00 -1.87 115.31 116.44 2qxs h LEU 378 Ca 0.18 0.01 -0.07 0.00 0.09 0.00 0.00 57.88 58.09 2qxs h LEU 378 Cb 0.08 -0.11 -0.03 0.00 0.09 0.00 0.00 40.66 40.69 2qxs h LEU 378 CO -0.12 0.41 0.13 -0.07 0.09 0.00 0.00 178.44 178.88 2qxs h LEU 379 N 0.73 1.05 -1.22 1.67 3.38 -0.81 -1.27 115.31 118.84 2qxs h LEU 379 Ca 0.27 -0.25 0.05 0.00 0.09 0.00 0.00 57.88 58.05 2qxs h LEU 379 Cb 0.09 -0.28 -0.05 0.00 0.09 0.00 0.00 40.66 40.51 2qxs h LEU 379 CO -0.13 1.03 0.55 -0.33 0.09 0.00 0.00 178.44 179.64 2qxs h GLU 380 N 1.02 0.94 0.13 1.13 5.08 -0.54 -1.29 114.58 121.05 2qxs h GLU 380 Ca 0.21 -0.06 -0.28 0.00 -1.00 0.00 0.00 59.36 58.23 2qxs h GLU 380 Cb 0.41 -0.21 0.00 0.00 0.50 0.00 0.00 28.75 29.45 2qxs h GLU 380 CO 0.01 0.62 -1.27 0.00 -1.00 0.00 0.00 179.01 177.37 2qxs n ALA 382 N -2.55 3.84 -0.26 0.00 0.00 -0.51 -4.72 120.51 116.31 2qxs n ALA 382 Ca -0.09 -0.55 0.00 0.00 0.00 0.00 0.00 53.44 52.80 2qxs n ALA 382 Cb 1.03 -0.78 0.12 0.00 0.00 0.00 0.00 19.45 19.82 2qxs n ALA 382 CO 0.00 0.00 0.00 0.11 0.00 0.00 0.00 177.50 177.61 2qxs h TRP 383 N 0.00 0.77 -0.05 0.00 5.08 -1.43 -0.10 115.95 120.22 2qxs h TRP 383 Ca 0.00 0.03 -0.23 0.00 1.08 0.00 0.00 58.89 59.76 2qxs h TRP 383 Cb 0.72 -0.24 0.01 0.00 -3.00 0.00 0.00 29.16 26.66 2qxs h TRP 383 CO 0.00 0.36 -0.91 1.25 -1.28 0.00 0.00 178.44 177.86 2qxs h LEU 384 N 0.76 0.77 -0.81 0.11 5.85 -1.87 -0.98 115.31 119.14 2qxs h LEU 384 Ca 0.34 -0.57 0.07 0.00 0.84 0.00 0.00 57.88 58.56 2qxs h LEU 384 Cb 0.23 -0.23 -0.06 0.00 0.37 0.00 0.00 40.66 40.97 2qxs h LEU 384 CO -0.20 1.36 0.48 -0.33 -0.34 0.00 0.00 178.44 179.42 2qxs h GLU 385 N 0.38 0.84 -0.49 1.25 5.08 -1.73 0.73 114.58 120.64 2qxs h GLU 385 Ca -0.08 -0.05 -0.08 0.00 -1.00 0.00 0.00 59.36 58.14 2qxs h GLU 385 Cb 1.54 -0.19 -0.02 0.00 0.50 0.00 0.00 28.75 30.59 2qxs h GLU 385 CO 0.17 0.56 -0.02 0.82 -1.00 0.00 0.00 179.01 179.54 2qxs h ILE 386 N 0.87 1.26 -0.72 3.13 2.04 -0.74 0.73 117.51 124.09 2qxs h ILE 386 Ca 0.37 -1.11 0.00 0.00 1.00 0.00 0.00 64.86 65.12 2qxs h ILE 386 Cb 0.23 1.00 -0.04 0.00 -0.74 0.00 0.00 36.82 37.28 2qxs h ILE 386 CO -0.19 0.39 0.45 -0.07 0.00 0.00 0.00 178.15 178.72 2qxs h LEU 387 N 0.74 0.85 -0.21 1.44 3.38 -0.75 -2.31 115.31 118.44 2qxs h LEU 387 Ca 0.14 -0.05 -0.04 0.00 0.09 0.00 0.00 57.88 58.02 2qxs h LEU 387 Cb 0.54 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 41.07 2qxs h LEU 387 CO 0.03 0.64 -0.01 0.24 0.09 0.00 0.00 178.44 179.43 2qxs h MET 388 N 0.98 0.38 -0.67 1.13 2.86 -0.52 -1.23 114.93 117.86 2qxs h MET 388 Ca 0.26 -0.13 -0.03 0.00 -2.06 0.00 0.00 59.70 57.74 2qxs h MET 388 Cb -0.07 -0.03 -0.03 0.00 0.06 0.00 0.00 31.60 31.53 2qxs h MET 388 CO -0.05 0.59 0.30 0.97 1.06 0.00 0.00 176.91 179.78 2qxs h ILE 389 N 0.13 1.22 -0.55 -1.22 2.10 -0.82 0.03 117.51 118.39 2qxs h ILE 389 Ca 0.06 -0.64 0.01 0.00 1.08 0.00 0.00 64.86 65.36 2qxs h ILE 389 Cb 0.43 0.38 -0.03 0.00 -1.09 0.00 0.00 36.82 36.51 2qxs h ILE 389 CO 0.01 0.27 0.36 1.23 -1.08 0.00 0.00 178.15 178.94 2qxs h GLY 390 N 1.03 0.78 0.98 8.18 0.00 -1.30 -0.13 103.07 112.60 2qxs h GLY 390 Ca 0.23 -0.29 0.00 0.00 0.00 0.00 0.00 47.33 47.27 2qxs h GLY 390 CO -0.03 0.28 0.10 -2.00 0.00 0.00 0.00 176.54 174.89 2qxs h LEU 391 N 0.74 0.18 -0.73 3.11 5.85 -0.50 -1.38 115.31 122.59 2qxs h LEU 391 Ca 0.20 -0.03 0.04 0.00 0.84 0.00 0.00 57.88 58.94 2qxs h LEU 391 Cb -0.08 -0.05 -0.05 0.00 0.37 0.00 0.00 40.66 40.86 2qxs h LEU 391 CO -0.05 0.15 0.45 0.58 -0.34 0.00 0.00 178.44 179.24 2qxs h VAL 392 N 0.20 1.07 -0.09 1.05 2.07 -0.67 -1.73 116.25 118.15 2qxs h VAL 392 Ca 0.06 -0.30 -0.00 0.00 0.82 0.00 0.00 66.70 67.28 2qxs h VAL 392 Cb -0.00 0.13 -0.00 0.00 -1.52 0.00 0.00 31.29 29.90 2qxs h VAL 392 CO -0.01 0.16 0.05 -0.25 0.02 0.00 0.00 177.57 177.53 2qxs h TRP 393 N 0.87 0.13 0.00 1.57 2.91 -0.71 -2.45 115.95 118.27 2qxs h TRP 393 Ca 0.30 -0.00 0.00 0.00 1.13 0.00 0.00 58.89 60.32 2qxs h TRP 393 Cb 0.06 -0.04 0.00 0.00 -0.51 0.00 0.00 29.16 28.67 2qxs h TRP 393 CO -0.04 0.18 0.00 2.89 -1.03 0.00 0.00 178.44 180.44 2qxs n ARG 394 N -4.97 0.12 0.00 2.65 1.85 -0.55 -2.22 116.66 113.55 2qxs n ARG 394 Ca -0.06 0.27 0.12 0.00 -1.00 0.00 0.00 57.85 57.18 2qxs n ARG 394 Cb 0.08 -1.69 0.28 0.00 -1.05 0.00 0.00 32.46 30.09 2qxs n ARG 394 CO 0.00 0.00 0.00 0.43 -0.01 0.00 0.00 177.63 178.05 2qxs n SER 395 N -1.90 0.80 -0.22 2.89 7.64 -0.67 -4.49 113.62 117.66 2qxs n SER 395 Ca 0.04 -0.60 -0.00 0.00 1.01 0.00 0.00 58.87 59.32 2qxs n SER 395 Cb 0.27 0.24 0.07 0.00 -1.01 0.00 0.00 64.21 63.77 2qxs n SER 395 CO 0.00 0.00 0.00 0.24 -3.01 0.00 0.00 175.04 172.27 2qxs h MET 396 N 0.61 0.01 -0.54 1.43 2.86 -0.99 -0.94 114.93 117.37 2qxs h MET 396 Ca 0.00 -0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 2qxs h MET 396 Cb 0.51 -0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.17 2qxs h MET 396 CO 0.00 0.00 0.00 0.39 1.06 0.00 0.00 176.91 178.36 2qxs n GLU 397 N -5.43 2.16 -3.23 1.72 4.71 -1.26 -4.37 120.64 114.94 2qxs n GLU 397 Ca 0.08 -1.26 -0.25 0.00 -0.01 0.00 0.00 57.16 55.72 2qxs n GLU 397 Cb 0.34 -1.50 -0.06 0.00 -1.01 0.00 0.00 31.44 29.21 2qxs n GLU 397 CO 0.00 0.00 0.00 0.72 0.09 0.00 0.00 177.13 177.94 2qxs n HIS 398 N 0.37 2.52 -1.62 -0.32 -0.00 -0.36 -5.10 115.22 110.71 2qxs n HIS 398 Ca 0.11 -3.96 -0.47 0.00 -0.00 0.00 0.00 57.72 53.41 2qxs n HIS 398 Cb 0.44 -0.48 -0.04 0.00 -0.00 0.00 0.00 29.99 29.91 2qxs n HIS 398 CO 0.00 0.00 0.00 -0.35 -0.00 0.00 0.00 176.34 175.99 2qxs n PRO 399 N 0.63 1.60 -0.55 -0.41 -0.04 -1.26 -1.20 135.00 133.76 2qxs n PRO 399 Ca 0.28 0.57 0.00 0.00 -0.04 0.00 0.00 63.50 64.31 2qxs n PRO 399 Cb 0.46 -2.16 0.00 0.00 -0.04 0.00 0.00 33.50 31.76 2qxs n PRO 399 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2qxs n GLY 400 N 2.21 1.43 3.22 0.55 0.00 -1.26 -5.02 105.19 106.31 2qxs n GLY 400 Ca 0.14 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.99 2qxs n GLY 400 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2qxs s LYS 401 N -0.18 0.96 -0.21 1.61 1.02 -0.34 -4.08 119.74 118.52 2qxs s LYS 401 Ca 0.00 -1.21 -0.03 0.00 0.02 0.00 0.00 55.97 54.75 2qxs s LYS 401 Cb 0.00 -0.77 -0.01 0.00 -0.52 0.00 0.00 37.83 36.53 2qxs s LYS 401 CO 0.00 0.14 -0.07 -0.51 -0.92 0.00 0.00 175.35 173.99 2qxs s LEU 402 N -2.44 2.79 -1.18 3.17 1.43 0.52 -4.83 118.68 118.13 2qxs s LEU 402 Ca 0.07 -0.42 -0.11 0.00 -1.03 0.00 0.00 54.13 52.65 2qxs s LEU 402 Cb -0.04 -1.70 0.21 0.00 0.03 0.00 0.00 46.19 44.69 2qxs s LEU 402 CO 0.02 -0.00 1.41 -0.11 0.23 0.00 0.00 176.35 177.90 2qxs n LEU 403 N 4.66 5.59 -0.35 1.79 -0.00 -1.26 -1.35 117.00 126.07 2qxs n LEU 403 Ca -0.19 -4.71 -0.03 0.00 -0.00 0.00 0.00 56.01 51.09 2qxs n LEU 403 Cb 0.51 -1.53 0.10 0.00 -0.00 0.00 0.00 43.42 42.49 2qxs n LEU 403 CO 0.29 1.06 1.24 -0.26 -0.00 0.00 0.00 177.39 179.72 2qxs h PHE 404 N 6.68 1.22 -3.40 1.96 -1.00 -1.70 -3.44 116.94 117.26 2qxs h PHE 404 Ca 0.28 0.01 -0.07 0.00 2.81 0.00 0.00 57.97 61.00 2qxs h PHE 404 Cb 0.82 -0.40 -0.15 0.00 3.61 0.00 0.00 35.95 39.83 2qxs h PHE 404 CO 1.01 0.79 -0.17 0.00 -1.61 0.00 0.00 178.31 178.34 2qxs s ALA 405 N -6.02 -0.75 0.54 2.45 0.00 -1.11 -4.93 121.76 111.93 2qxs s ALA 405 Ca -0.13 -0.09 0.24 0.00 0.00 0.00 0.00 51.96 51.98 2qxs s ALA 405 Cb 0.17 0.52 1.40 0.00 0.00 0.00 0.00 23.12 25.21 2qxs s ALA 405 CO 0.82 -0.54 2.03 -1.35 0.00 0.00 0.00 175.76 176.72 2qxs h PRO 406 N 2.72 0.00 -0.56 0.00 0.11 -1.87 0.26 132.00 132.65 2qxs h PRO 406 Ca -0.33 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 65.76 2qxs h PRO 406 Cb 1.23 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.32 2qxs h PRO 406 CO 0.48 0.00 0.02 0.27 -0.21 0.00 0.00 178.00 178.56 2qxs n ASN 407 N -4.33 5.52 -3.02 -2.05 6.94 -1.26 -4.62 115.26 112.45 2qxs n ASN 407 Ca 0.06 -2.97 -0.17 0.00 -0.02 0.00 0.00 54.58 51.48 2qxs n ASN 407 Cb 0.48 -0.68 -0.02 0.00 -2.36 0.00 0.00 39.78 37.20 2qxs n ASN 407 CO 0.00 0.00 0.00 -0.11 -1.03 0.00 0.00 177.26 176.12 2qxs n LEU 408 N 0.45 -1.18 -4.48 -4.53 7.94 0.90 -4.88 117.00 111.22 2qxs n LEU 408 Ca 0.28 -4.08 -0.40 0.00 -1.11 0.00 0.00 56.01 50.70 2qxs n LEU 408 Cb 1.19 0.72 -0.11 0.00 0.53 0.00 0.00 43.42 45.75 2qxs n LEU 408 CO 0.32 2.03 -0.14 -0.22 -1.11 0.00 0.00 177.39 178.27 2qxs s LEU 409 N -0.85 4.56 0.00 -1.96 0.20 -1.24 -1.77 118.68 117.62 2qxs s LEU 409 Ca 0.34 -0.58 0.06 0.00 0.69 0.00 0.00 54.13 54.63 2qxs s LEU 409 Cb 0.18 -2.10 -0.03 0.00 -0.43 0.00 0.00 46.19 43.81 2qxs s LEU 409 CO -0.17 -0.28 -0.16 -0.76 -0.29 0.00 0.00 176.35 174.69 2qxs s LEU 410 N 1.68 2.65 0.54 -0.68 1.43 -0.46 -4.93 118.68 118.91 2qxs s LEU 410 Ca 0.05 -0.33 0.09 0.00 -1.03 0.00 0.00 54.13 52.92 2qxs s LEU 410 Cb -0.18 -1.54 0.07 0.00 0.03 0.00 0.00 46.19 44.57 2qxs s LEU 410 CO 0.09 0.29 0.72 1.51 0.23 0.00 0.00 176.35 179.19 2qxs s ASP 411 N -1.12 5.19 0.45 2.29 1.47 -1.26 -0.36 116.67 123.33 2qxs s ASP 411 Ca 0.13 -0.78 0.17 0.00 1.18 0.00 0.00 52.55 53.26 2qxs s ASP 411 Cb -0.11 0.09 1.04 0.00 -0.34 0.00 0.00 42.92 43.60 2qxs s ASP 411 CO 0.03 -1.20 1.96 0.08 0.68 0.00 0.00 175.17 176.73 2qxs h ARG 412 N 0.32 0.00 -0.42 2.11 0.11 -1.98 -2.01 114.38 112.52 2qxs h ARG 412 Ca -0.32 0.00 -0.02 0.00 0.10 0.00 0.00 59.98 59.74 2qxs h ARG 412 Cb 1.29 0.00 -0.02 0.00 1.11 0.00 0.00 29.97 32.35 2qxs h ARG 412 CO 0.43 0.22 0.17 -0.91 0.10 0.00 0.00 179.97 179.98 2qxs h ASN 413 N 0.00 0.53 0.69 0.08 2.35 -1.95 -1.17 115.58 116.10 2qxs h ASN 413 Ca -0.00 -0.05 -0.18 0.00 -0.55 0.00 0.00 56.30 55.52 2qxs h ASN 413 Cb 0.42 -0.13 -0.02 0.00 0.05 0.00 0.00 38.32 38.64 2qxs h ASN 413 CO 0.03 0.47 -0.83 1.56 -1.65 0.00 0.00 177.43 177.01 2qxs h GLN 414 N 0.58 0.10 -0.05 0.81 4.20 -1.76 -2.97 115.11 116.02 2qxs h GLN 414 Ca 0.14 -0.11 -0.05 0.00 0.06 0.00 0.00 58.65 58.70 2qxs h GLN 414 Cb 0.11 0.03 -0.01 0.00 0.30 0.00 0.00 27.48 27.91 2qxs h GLN 414 CO -0.02 0.87 -0.18 0.78 -0.67 0.00 0.00 178.83 179.61 2qxs h GLY 415 N 2.11 0.08 2.00 3.46 0.00 -1.06 -2.52 103.07 107.15 2qxs h GLY 415 Ca -0.03 -0.05 0.00 0.00 0.00 0.00 0.00 47.33 47.25 2qxs h GLY 415 CO 0.12 0.05 0.00 0.07 0.00 0.00 0.00 176.54 176.78 2qxs h LYS 416 N 0.07 0.00 0.00 4.80 -0.00 -1.06 -2.59 116.57 117.79 2qxs h LYS 416 Ca 0.01 0.00 0.00 0.00 -0.00 0.00 0.00 60.65 60.66 2qxs h LYS 416 Cb 0.37 0.00 0.00 0.00 -0.00 0.00 0.00 32.23 32.60 2qxs h LYS 416 CO 0.03 0.00 0.00 0.00 -0.00 0.00 0.00 179.45 179.48 2qxs s VAL 418 N -3.13 4.13 -0.27 0.00 1.01 -0.97 -4.88 120.40 116.29 2qxs s VAL 418 Ca 0.08 -0.58 -0.38 0.00 0.00 0.00 0.00 61.98 61.10 2qxs s VAL 418 Cb 0.12 -3.10 -0.14 0.00 0.00 0.00 0.00 36.38 33.26 2qxs s VAL 418 CO 0.44 0.11 1.89 1.21 0.00 0.00 0.00 175.10 178.75 2qxs n GLU 419 N 4.90 1.31 -0.46 2.72 2.13 -1.26 -1.59 120.64 128.38 2qxs n GLU 419 Ca -0.15 0.46 0.00 0.00 0.66 0.00 0.00 57.16 58.13 2qxs n GLU 419 Cb 0.49 -2.28 0.00 0.00 0.27 0.00 0.00 31.44 29.91 2qxs n GLU 419 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2qxs n GLY 420 N 4.90 0.79 0.09 8.31 0.00 -1.26 -4.95 105.19 113.07 2qxs n GLY 420 Ca 0.30 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.20 2qxs n GLY 420 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 173.32 175.30 2qxs h MET 421 N 3.95 0.11 -0.67 1.61 4.05 -1.51 -3.40 114.93 119.07 2qxs h MET 421 Ca 0.00 -0.19 0.01 0.00 -0.28 0.00 0.00 59.70 59.24 2qxs h MET 421 Cb 0.00 0.07 -0.03 0.00 -0.80 0.00 0.00 31.60 30.84 2qxs h MET 421 CO 0.00 0.90 0.44 -0.24 0.23 0.00 0.00 176.91 178.24 2qxs h VAL 422 N 0.03 1.16 -0.47 -5.77 3.04 -1.76 -0.26 116.25 112.22 2qxs h VAL 422 Ca -0.21 -0.30 0.04 0.00 -1.01 0.00 0.00 66.70 65.21 2qxs h VAL 422 Cb 1.96 0.20 -0.04 0.00 -2.01 0.00 0.00 31.29 31.39 2qxs h VAL 422 CO 0.12 0.16 0.25 -0.33 -1.01 0.00 0.00 177.57 176.77 2qxs h GLU 423 N 0.88 0.48 -0.10 4.17 3.07 -1.95 0.31 114.58 121.44 2qxs h GLU 423 Ca 0.25 -0.03 -0.23 0.00 -0.50 0.00 0.00 59.36 58.85 2qxs h GLU 423 Cb -0.07 -0.11 0.01 0.00 -0.84 0.00 0.00 28.75 27.74 2qxs h GLU 423 CO -0.06 0.32 -0.86 0.82 -1.40 0.00 0.00 179.01 177.83 2qxs h ILE 424 N 0.49 1.29 -0.59 3.13 2.04 -1.62 -2.70 117.51 119.55 2qxs h ILE 424 Ca 0.20 -2.09 0.12 0.00 1.00 0.00 0.00 64.86 64.10 2qxs h ILE 424 Cb 0.09 2.12 -0.10 0.00 -0.74 0.00 0.00 36.82 38.19 2qxs h ILE 424 CO -0.13 0.65 -0.02 0.15 0.00 0.00 0.00 178.15 178.80 2qxs h PHE 425 N 0.47 -0.08 -0.73 1.37 3.04 -0.76 -0.36 116.94 119.90 2qxs h PHE 425 Ca -0.07 0.04 -0.04 0.00 3.98 0.00 0.00 57.97 61.88 2qxs h PHE 425 Cb 1.49 0.12 -0.03 0.00 2.56 0.00 0.00 35.95 40.09 2qxs h PHE 425 CO 0.09 -0.17 0.30 -0.44 -2.02 0.00 0.00 178.31 176.07 2qxs h ASP 426 N 0.10 1.00 -0.66 0.41 3.32 -0.83 -0.77 116.42 118.99 2qxs h ASP 426 Ca 0.30 -0.17 0.01 0.00 0.02 0.00 0.00 57.03 57.20 2qxs h ASP 426 Cb 0.48 -0.26 -0.03 0.00 0.22 0.00 0.00 39.33 39.74 2qxs h ASP 426 CO -0.52 0.89 0.43 0.24 -1.72 0.00 0.00 179.24 178.56 2qxs h MET 427 N 1.04 0.84 -0.46 3.56 2.86 -1.09 -0.39 114.93 121.30 2qxs h MET 427 Ca 0.24 -0.05 -0.04 0.00 -2.06 0.00 0.00 59.70 57.80 2qxs h MET 427 Cb 0.20 -0.19 -0.02 0.00 0.06 0.00 0.00 31.60 31.65 2qxs h MET 427 CO -0.02 0.56 0.14 -0.07 1.06 0.00 0.00 176.91 178.58 2qxs h LEU 428 N 0.87 0.66 -0.88 1.22 3.38 -0.60 -1.07 115.31 118.89 2qxs h LEU 428 Ca 0.25 -0.20 -0.00 0.00 0.09 0.00 0.00 57.88 58.01 2qxs h LEU 428 Cb -0.08 -0.17 -0.04 0.00 0.09 0.00 0.00 40.66 40.46 2qxs h LEU 428 CO -0.06 0.69 0.54 -0.07 0.09 0.00 0.00 178.44 179.63 2qxs h LEU 429 N 0.60 1.06 -0.91 1.67 3.38 -0.91 -0.85 115.31 119.35 2qxs h LEU 429 Ca 0.15 -0.06 -0.05 0.00 0.09 0.00 0.00 57.88 58.01 2qxs h LEU 429 Cb 0.26 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 40.72 2qxs h LEU 429 CO -0.00 0.81 0.23 0.00 0.09 0.00 0.00 178.44 179.56 2qxs h ALA 430 N 1.29 1.13 -0.41 1.53 0.00 -0.76 -0.20 119.26 121.84 2qxs h ALA 430 Ca 0.32 -0.20 -0.08 0.00 0.00 0.00 0.00 54.91 54.94 2qxs h ALA 430 Cb -0.06 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.45 2qxs h ALA 430 CO -0.06 0.61 -0.07 1.15 0.00 0.00 0.00 179.25 180.88 2qxs h THR 431 N 0.99 1.27 -0.86 0.00 2.02 -0.68 -0.51 112.91 115.14 2qxs h THR 431 Ca 0.22 -1.14 -0.01 0.00 0.77 0.00 0.00 66.41 66.25 2qxs h THR 431 Cb 0.25 1.17 -0.04 0.00 -1.74 0.00 0.00 68.15 67.80 2qxs h THR 431 CO -0.01 0.39 0.49 -1.28 0.37 0.00 0.00 175.52 175.48 2qxs h SER 432 N 0.60 1.05 -0.85 4.18 0.87 -0.79 -0.81 113.55 117.79 2qxs h SER 432 Ca 0.11 -0.08 0.00 0.00 -1.23 0.00 0.00 61.79 60.59 2qxs h SER 432 Cb 0.58 -0.27 -0.04 0.00 -0.44 0.00 0.00 62.40 62.24 2qxs h SER 432 CO 0.03 0.82 0.55 0.28 -0.53 0.00 0.00 176.83 177.99 2qxs h SER 433 N 1.18 1.00 -0.28 6.23 0.02 -0.84 -1.18 113.55 119.68 2qxs h SER 433 Ca 0.30 -0.04 -0.00 0.00 -0.84 0.00 0.00 61.79 61.21 2qxs h SER 433 Cb -0.01 -0.25 -0.01 0.00 0.14 0.00 0.00 62.40 62.27 2qxs h SER 433 CO -0.05 0.74 0.15 0.03 -1.14 0.00 0.00 176.83 176.56 2qxs h ARG 434 N 1.16 0.38 -0.62 3.45 2.47 -0.51 -1.86 114.38 118.85 2qxs h ARG 434 Ca 0.31 -0.04 0.07 0.00 -1.26 0.00 0.00 59.98 59.06 2qxs h ARG 434 Cb -0.10 -0.08 -0.06 0.00 -1.65 0.00 0.00 29.97 28.08 2qxs h ARG 434 CO -0.06 0.33 0.30 0.74 0.56 0.00 0.00 179.97 181.83 2qxs h PHE 435 N 0.33 0.54 -0.20 3.04 -1.00 -0.85 -1.44 116.94 117.36 2qxs h PHE 435 Ca 0.10 0.03 -0.00 0.00 2.81 0.00 0.00 57.97 60.90 2qxs h PHE 435 Cb 0.06 -0.15 -0.01 0.00 3.61 0.00 0.00 35.95 39.46 2qxs h PHE 435 CO -0.03 0.21 0.11 -0.09 -1.61 0.00 0.00 178.31 176.90 2qxs h ARG 436 N 0.54 0.28 -0.55 1.51 2.43 -1.03 -2.08 114.38 115.48 2qxs h ARG 436 Ca 0.30 -0.03 -0.05 0.00 -0.81 0.00 0.00 59.98 59.39 2qxs h ARG 436 Cb 0.27 -0.06 -0.03 0.00 -0.42 0.00 0.00 29.97 29.74 2qxs h ARG 436 CO -0.23 0.26 0.15 1.98 -1.51 0.00 0.00 179.97 180.62 2qxs h MET 437 N 0.23 0.83 0.00 0.20 4.05 -0.94 -2.03 114.93 117.27 2qxs h MET 437 Ca 0.07 -0.16 0.00 0.00 -0.28 0.00 0.00 59.70 59.34 2qxs h MET 437 Cb 0.05 -0.13 0.00 0.00 -0.80 0.00 0.00 31.60 30.72 2qxs h MET 437 CO -0.01 0.73 0.00 -1.33 0.23 0.00 0.00 176.91 176.52 2qxs n MET 438 N -4.29 0.08 -3.71 0.39 2.81 -0.58 -4.93 117.12 106.89 2qxs n MET 438 Ca 0.04 0.02 -0.22 0.00 -1.81 0.00 0.00 57.70 55.73 2qxs n MET 438 Cb 0.21 -1.50 0.03 0.00 -0.71 0.00 0.00 33.22 31.25 2qxs n MET 438 CO 0.00 0.00 0.00 -1.71 1.51 0.00 0.00 175.97 175.77 2qxs n ASN 439 N -1.46 -1.71 -4.68 7.83 5.15 -0.76 -4.88 115.26 114.74 2qxs n ASN 439 Ca 0.08 -0.86 -0.45 0.00 -0.60 0.00 0.00 54.58 52.76 2qxs n ASN 439 Cb 0.31 -3.93 -0.04 0.00 -0.53 0.00 0.00 39.78 35.59 2qxs n ASN 439 CO 0.00 0.00 0.00 -0.11 1.40 0.00 0.00 177.26 178.55 2qxs n LEU 440 N -4.23 3.36 -4.92 1.20 7.94 -0.84 -4.98 117.00 114.53 2qxs n LEU 440 Ca -0.27 1.08 -0.27 0.00 -1.11 0.00 0.00 56.01 55.44 2qxs n LEU 440 Cb 0.67 -1.47 -0.03 0.00 0.53 0.00 0.00 43.42 43.12 2qxs n LEU 440 CO 0.69 -0.16 0.11 -1.10 -1.11 0.00 0.00 177.39 175.81 2qxs s GLN 441 N 0.90 3.56 0.25 1.96 -1.52 -1.26 -4.97 119.66 118.58 2qxs s GLN 441 Ca 0.77 -0.22 -0.05 0.00 -1.95 0.00 0.00 55.36 53.92 2qxs s GLN 441 Cb -0.63 -2.75 0.37 0.00 -0.22 0.00 0.00 33.01 29.78 2qxs s GLN 441 CO 0.37 0.30 1.84 0.78 -0.25 0.00 0.00 175.29 178.33 2qxs h GLY 442 N 1.74 1.32 1.50 3.09 0.00 -1.99 -0.27 103.07 108.47 2qxs h GLY 442 Ca -0.48 -0.37 0.00 0.00 0.00 0.00 0.00 47.33 46.48 2qxs h GLY 442 CO 0.66 0.22 0.34 0.83 0.00 0.00 0.00 176.54 178.59 2qxs h GLU 443 N 0.93 0.67 -0.02 4.80 3.07 -1.98 -1.36 114.58 120.69 2qxs h GLU 443 Ca 0.39 -0.04 -0.15 0.00 -0.50 0.00 0.00 59.36 59.06 2qxs h GLU 443 Cb 0.24 -0.15 0.01 0.00 -0.84 0.00 0.00 28.75 28.01 2qxs h GLU 443 CO -0.20 0.45 -0.56 0.93 -1.40 0.00 0.00 179.01 178.22 2qxs h GLU 444 N 0.69 0.41 -0.38 2.33 5.08 -1.71 -3.08 114.58 117.92 2qxs h GLU 444 Ca 0.19 -0.42 0.08 0.00 -1.00 0.00 0.00 59.36 58.20 2qxs h GLU 444 Cb -0.08 0.11 -0.08 0.00 0.50 0.00 0.00 28.75 29.21 2qxs h GLU 444 CO -0.04 1.08 -0.14 0.35 -1.00 0.00 0.00 179.01 179.27 2qxs h PHE 445 N -0.09 -0.32 -0.91 4.33 3.57 -0.73 -0.60 116.94 122.19 2qxs h PHE 445 Ca -0.07 0.04 0.04 0.00 3.53 0.00 0.00 57.97 61.51 2qxs h PHE 445 Cb 1.27 0.20 -0.05 0.00 2.79 0.00 0.00 35.95 40.15 2qxs h PHE 445 CO 0.14 -0.21 0.60 -0.24 -2.23 0.00 0.00 178.31 176.37 2qxs h VAL 446 N -0.06 1.15 -0.37 1.41 3.04 -1.35 -0.26 116.25 119.81 2qxs h VAL 446 Ca 0.19 -0.39 -0.04 0.00 -1.01 0.00 0.00 66.70 65.45 2qxs h VAL 446 Cb 0.34 -0.09 -0.01 0.00 -2.01 0.00 0.00 31.29 29.52 2qxs h VAL 446 CO -0.42 0.21 0.08 0.00 -1.01 0.00 0.00 177.57 176.43 2qxs h LEU 448 N 0.45 0.93 -0.96 0.00 3.38 -0.29 -1.39 115.31 117.42 2qxs h LEU 448 Ca 0.11 -0.19 -0.02 0.00 0.09 0.00 0.00 57.88 57.88 2qxs h LEU 448 Cb 0.32 -0.24 -0.04 0.00 0.09 0.00 0.00 40.66 40.78 2qxs h LEU 448 CO 0.00 0.86 0.46 0.50 0.09 0.00 0.00 178.44 180.36 2qxs h LYS 449 N 0.94 1.20 -0.38 1.13 3.64 -1.07 -1.65 116.57 120.38 2qxs h LYS 449 Ca 0.22 -0.14 -0.11 0.00 -1.27 0.00 0.00 60.65 59.35 2qxs h LYS 449 Cb 0.24 -0.23 -0.02 0.00 -0.41 0.00 0.00 32.23 31.81 2qxs h LYS 449 CO -0.01 0.88 -0.20 0.77 -2.27 0.00 0.00 179.45 178.62 2qxs h SER 450 N 1.20 0.73 -0.52 4.20 0.02 -1.04 -2.50 113.55 115.64 2qxs h SER 450 Ca 0.30 -0.25 -0.01 0.00 -0.84 0.00 0.00 61.79 60.99 2qxs h SER 450 Cb 0.04 -0.20 -0.02 0.00 0.14 0.00 0.00 62.40 62.35 2qxs h SER 450 CO -0.05 0.93 0.30 0.40 -1.14 0.00 0.00 176.83 177.26 2qxs h ILE 451 N 0.64 1.17 -0.29 3.27 2.04 -0.86 -2.00 117.51 121.47 2qxs h ILE 451 Ca 0.10 -0.41 0.05 0.00 1.00 0.00 0.00 64.86 65.59 2qxs h ILE 451 Cb 0.69 0.50 -0.05 0.00 -0.74 0.00 0.00 36.82 37.22 2qxs h ILE 451 CO 0.05 0.18 0.01 0.40 0.00 0.00 0.00 178.15 178.78 2qxs h ILE 452 N 0.69 0.79 -0.42 -0.67 2.04 -1.03 0.16 117.51 119.07 2qxs h ILE 452 Ca 0.18 -0.03 0.07 0.00 1.00 0.00 0.00 64.86 66.09 2qxs h ILE 452 Cb 0.02 0.69 -0.06 0.00 -0.74 0.00 0.00 36.82 36.73 2qxs h ILE 452 CO -0.03 0.02 0.04 0.25 0.00 0.00 0.00 178.15 178.43 2qxs h LEU 453 N 0.09 -0.09 0.00 1.44 5.85 -1.20 -1.66 115.31 119.74 2qxs h LEU 453 Ca 0.14 0.09 -0.23 0.00 0.84 0.00 0.00 57.88 58.72 2qxs h LEU 453 Cb 0.18 0.14 -0.03 0.00 0.37 0.00 0.00 40.66 41.32 2qxs h LEU 453 CO -0.23 -0.01 -1.16 -0.07 -0.34 0.00 0.00 178.44 176.63 2qxs h LEU 454 N 0.16 0.00 0.03 2.25 3.38 -0.99 -3.38 115.31 116.76 2qxs h LEU 454 Ca 0.21 0.00 -0.30 0.00 0.09 0.00 0.00 57.88 57.88 2qxs h LEU 454 Cb 0.28 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 40.99 2qxs h LEU 454 CO -0.31 0.99 -1.71 -1.13 0.09 0.00 0.00 178.44 176.37 2qxs h ASN 455 N 0.00 0.10 0.08 -0.43 -1.24 -0.58 -3.37 115.58 110.14 2qxs h ASN 455 Ca -0.07 -0.20 -0.07 0.00 0.71 0.00 0.00 56.30 56.67 2qxs h ASN 455 Cb 1.82 -0.03 -0.01 0.00 0.73 0.00 0.00 38.32 40.83 2qxs h ASN 455 CO 0.12 1.18 -0.22 0.28 -1.29 0.00 0.00 177.43 177.50 2qxs h SER 456 N 0.02 0.24 -0.19 1.15 0.02 -1.48 -2.81 113.55 110.50 2qxs h SER 456 Ca -0.29 -0.06 0.00 0.00 -0.84 0.00 0.00 61.79 60.59 2qxs h SER 456 Cb 2.01 -0.06 0.00 0.00 0.14 0.00 0.00 62.40 64.48 2qxs h SER 456 CO 0.09 0.47 0.00 0.61 -1.14 0.00 0.00 176.83 176.86 2qxs n GLY 457 N -0.65 1.07 0.15 -3.77 0.00 -1.26 -4.70 105.19 96.02 2qxs n GLY 457 Ca -0.01 -0.51 0.12 0.00 0.00 0.00 0.00 46.02 45.61 2qxs n GLY 457 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 2qxs n VAL 458 N 0.98 0.90 -2.58 1.61 3.14 -1.06 -4.90 118.33 116.42 2qxs n VAL 458 Ca 0.12 0.43 -0.42 0.00 -2.96 0.00 0.00 64.34 61.52 2qxs n VAL 458 Cb 0.45 -1.39 -0.02 0.00 -1.06 0.00 0.00 33.84 31.82 2qxs n VAL 458 CO 0.00 0.00 0.00 -0.31 -6.46 0.00 0.00 176.83 170.06 2qxs s TYR 459 N -3.42 2.64 -0.19 1.45 1.51 -1.26 -4.97 117.35 113.10 2qxs s TYR 459 Ca 0.02 -1.10 -0.12 0.00 -1.01 0.00 0.00 57.07 54.86 2qxs s TYR 459 Cb 0.08 -4.70 -0.08 0.00 -0.11 0.00 0.00 41.96 37.15 2qxs s TYR 459 CO 0.32 -1.88 -0.28 1.28 -1.11 0.00 0.00 175.55 173.88 2qxs n LEU 469 N 8.62 1.58 -0.36 -1.29 7.99 -1.26 -5.13 117.00 127.15 2qxs n LEU 469 Ca 0.37 0.27 0.03 0.00 -0.01 0.00 0.00 56.01 56.67 2qxs n LEU 469 Cb 0.49 -0.64 0.19 0.00 -0.11 0.00 0.00 43.42 43.35 2qxs n LEU 469 CO 0.68 0.24 1.26 1.05 -1.51 0.00 0.00 177.39 179.12 2qxs h GLU 470 N -0.78 1.12 -0.35 3.23 -0.00 -2.05 -0.53 114.58 115.22 2qxs h GLU 470 Ca -0.41 -0.07 -0.03 0.00 -0.00 0.00 0.00 59.36 58.85 2qxs h GLU 470 Cb 1.31 -0.25 -0.01 0.00 -0.00 0.00 0.00 28.75 29.79 2qxs h GLU 470 CO -0.25 0.74 0.10 0.93 -0.00 0.00 0.00 179.01 180.54 2qxs h GLU 471 N 1.16 0.55 -0.48 1.06 4.39 -1.99 -1.10 114.58 118.17 2qxs h GLU 471 Ca 0.42 -0.12 -0.05 0.00 0.34 0.00 0.00 59.36 59.95 2qxs h GLU 471 Cb 0.16 -0.08 -0.02 0.00 -0.10 0.00 0.00 28.75 28.71 2qxs h GLU 471 CO -0.16 0.58 0.11 0.87 -1.16 0.00 0.00 179.01 179.25 2qxs h LYS 472 N 0.42 0.78 -0.51 2.33 1.57 -1.85 -1.64 116.57 117.66 2qxs h LYS 472 Ca 0.11 -0.19 0.06 0.00 -1.87 0.00 0.00 60.65 58.76 2qxs h LYS 472 Cb 0.27 -0.10 -0.05 0.00 0.08 0.00 0.00 32.23 32.42 2qxs h LYS 472 CO -0.00 0.77 0.23 -0.44 -0.57 0.00 0.00 179.45 179.44 2qxs h ASP 473 N 0.66 0.30 -0.15 0.86 5.19 -0.99 -0.18 116.42 122.11 2qxs h ASP 473 Ca 0.15 0.04 0.01 0.00 -0.62 0.00 0.00 57.03 56.61 2qxs h ASP 473 Cb 0.34 -0.01 -0.01 0.00 0.18 0.00 0.00 39.33 39.84 2qxs h ASP 473 CO 0.00 0.21 0.09 -0.74 -3.12 0.00 0.00 179.24 175.68 2qxs h HIS 474 N 0.45 0.17 -0.78 4.55 2.76 -1.02 -0.84 115.15 120.44 2qxs h HIS 474 Ca 0.24 0.01 0.03 0.00 -2.20 0.00 0.00 60.37 58.44 2qxs h HIS 474 Cb 0.19 -0.05 -0.05 0.00 1.55 0.00 0.00 27.41 29.05 2qxs h HIS 474 CO -0.12 0.10 0.50 0.82 -1.30 0.00 0.00 177.93 177.93 2qxs h ILE 475 N 0.19 1.13 -0.32 6.26 2.04 -0.94 -0.80 117.51 125.07 2qxs h ILE 475 Ca 0.06 -0.34 -0.10 0.00 1.00 0.00 0.00 64.86 65.49 2qxs h ILE 475 Cb -0.01 0.06 -0.02 0.00 -0.74 0.00 0.00 36.82 36.12 2qxs h ILE 475 CO -0.03 0.18 -0.20 0.45 0.00 0.00 0.00 178.15 178.55 2qxs h HIS 476 N 0.99 0.67 -0.66 1.37 3.86 -0.79 0.29 115.15 120.88 2qxs h HIS 476 Ca 0.31 -0.14 -0.07 0.00 -1.16 0.00 0.00 60.37 59.31 2qxs h HIS 476 Cb -0.01 -0.17 -0.03 0.00 1.06 0.00 0.00 27.41 28.26 2qxs h HIS 476 CO -0.03 0.76 0.15 0.00 0.86 0.00 0.00 177.93 179.67 2qxs h ARG 477 N 0.54 1.07 -0.38 2.45 3.08 -0.61 -0.43 114.38 120.10 2qxs h ARG 477 Ca 0.08 -0.27 -0.08 0.00 0.07 0.00 0.00 59.98 59.79 2qxs h ARG 477 Cb 0.64 -0.14 -0.01 0.00 0.08 0.00 0.00 29.97 30.54 2qxs h ARG 477 CO 0.05 0.97 -0.08 0.28 -1.07 0.00 0.00 179.97 180.11 2qxs h VAL 478 N 1.00 1.27 -0.96 2.04 2.07 -0.74 -1.33 116.25 119.61 2qxs h VAL 478 Ca 0.21 -1.14 0.04 0.00 0.82 0.00 0.00 66.70 66.62 2qxs h VAL 478 Cb 0.39 1.25 -0.06 0.00 -1.52 0.00 0.00 31.29 31.35 2qxs h VAL 478 CO 0.01 0.38 0.62 -0.07 0.02 0.00 0.00 177.57 178.53 2qxs h LEU 479 N 0.52 1.04 -0.94 2.57 3.38 -0.79 -0.65 115.31 120.43 2qxs h LEU 479 Ca 0.10 -0.01 -0.05 0.00 0.09 0.00 0.00 57.88 58.01 2qxs h LEU 479 Cb 0.59 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 41.07 2qxs h LEU 479 CO 0.03 0.70 0.21 0.44 0.09 0.00 0.00 178.44 179.92 2qxs h ASP 480 N 1.20 0.91 -0.57 -0.43 3.32 -0.79 -1.37 116.42 118.69 2qxs h ASP 480 Ca 0.39 -0.15 -0.06 0.00 0.02 0.00 0.00 57.03 57.23 2qxs h ASP 480 Cb 0.02 -0.24 -0.03 0.00 0.22 0.00 0.00 39.33 39.31 2qxs h ASP 480 CO -0.13 0.85 0.15 0.50 -1.72 0.00 0.00 179.24 178.89 2qxs h LYS 481 N 0.95 0.95 -0.38 3.56 3.64 -0.31 -1.54 116.57 123.44 2qxs h LYS 481 Ca 0.21 -0.21 -0.13 0.00 -1.27 0.00 0.00 60.65 59.26 2qxs h LYS 481 Cb 0.26 -0.14 -0.01 0.00 -0.41 0.00 0.00 32.23 31.93 2qxs h LYS 481 CO -0.01 0.85 -0.26 0.82 -2.27 0.00 0.00 179.45 178.57 2qxs h ILE 482 N 0.91 1.27 -0.24 2.00 2.04 -0.70 -0.89 117.51 121.90 2qxs h ILE 482 Ca 0.20 -1.40 0.02 0.00 1.00 0.00 0.00 64.86 64.68 2qxs h ILE 482 Cb 0.32 1.26 -0.03 0.00 -0.74 0.00 0.00 36.82 37.64 2qxs h ILE 482 CO -0.00 0.47 0.08 0.74 0.00 0.00 0.00 178.15 179.43 2qxs h THR 483 N 0.68 0.93 -0.96 -0.27 2.02 -1.05 -0.33 112.91 113.93 2qxs h THR 483 Ca 0.09 -0.06 0.05 0.00 0.77 0.00 0.00 66.41 67.25 2qxs h THR 483 Cb 0.79 0.73 -0.06 0.00 -1.74 0.00 0.00 68.15 67.87 2qxs h THR 483 CO 0.07 0.03 0.62 0.44 0.37 0.00 0.00 175.52 177.05 2qxs h ASP 484 N 0.19 1.01 -0.18 4.18 3.32 -1.01 -1.00 116.42 122.93 2qxs h ASP 484 Ca 0.10 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.14 2qxs h ASP 484 Cb 0.08 -0.22 -0.01 0.00 0.22 0.00 0.00 39.33 39.40 2qxs h ASP 484 CO -0.11 0.67 0.05 0.74 -1.72 0.00 0.00 179.24 178.87 2qxs h THR 485 N 1.17 1.19 -0.43 0.35 2.02 -0.59 -0.30 112.91 116.31 2qxs h THR 485 Ca 0.40 -0.59 0.03 0.00 0.77 0.00 0.00 66.41 67.02 2qxs h THR 485 Cb 0.09 1.25 -0.03 0.00 -1.74 0.00 0.00 68.15 67.71 2qxs h THR 485 CO -0.15 0.18 0.23 0.25 0.37 0.00 0.00 175.52 176.40 2qxs h LEU 486 N 0.10 0.35 -0.85 2.58 5.85 -0.60 -1.04 115.31 121.70 2qxs h LEU 486 Ca 0.06 0.02 -0.03 0.00 0.84 0.00 0.00 57.88 58.76 2qxs h LEU 486 Cb 0.23 -0.05 -0.04 0.00 0.37 0.00 0.00 40.66 41.17 2qxs h LEU 486 CO -0.00 0.25 0.42 0.40 -0.34 0.00 0.00 178.44 179.17 2qxs h ILE 487 N 0.46 1.26 -0.37 4.05 1.08 -1.10 -1.96 117.51 120.94 2qxs h ILE 487 Ca 0.18 -0.70 -0.00 0.00 -0.39 0.00 0.00 64.86 63.95 2qxs h ILE 487 Cb 0.06 0.16 -0.02 0.00 -3.07 0.00 0.00 36.82 33.96 2qxs h ILE 487 CO -0.11 0.31 0.22 -0.74 -0.69 0.00 0.00 178.15 177.14 2qxs h HIS 488 N 1.20 0.48 -0.24 1.37 2.76 -0.60 0.15 115.15 120.28 2qxs h HIS 488 Ca 0.29 -0.00 0.04 0.00 -2.20 0.00 0.00 60.37 58.50 2qxs h HIS 488 Cb 0.10 -0.16 -0.03 0.00 1.55 0.00 0.00 27.41 28.87 2qxs h HIS 488 CO 0.01 0.35 0.03 -0.07 -1.30 0.00 0.00 177.93 176.95 2qxs h LEU 489 N 0.48 -0.03 -0.73 0.26 3.38 -0.96 -0.81 115.31 116.89 2qxs h LEU 489 Ca 0.13 0.04 0.01 0.00 0.09 0.00 0.00 57.88 58.16 2qxs h LEU 489 Cb 0.00 0.07 -0.04 0.00 0.09 0.00 0.00 40.66 40.78 2qxs h LEU 489 CO -0.02 0.02 0.48 0.24 0.09 0.00 0.00 178.44 179.24 2qxs h MET 490 N 0.11 0.94 -0.59 1.13 2.86 -1.04 -2.16 114.93 116.18 2qxs h MET 490 Ca 0.11 -0.06 -0.02 0.00 -2.06 0.00 0.00 59.70 57.68 2qxs h MET 490 Cb 0.13 -0.21 -0.03 0.00 0.06 0.00 0.00 31.60 31.55 2qxs h MET 490 CO -0.16 0.62 0.30 0.00 1.06 0.00 0.00 176.91 178.72 2qxs h ALA 491 N 1.28 0.75 -0.25 6.32 0.00 -0.14 -2.54 119.26 124.68 2qxs h ALA 491 Ca 0.28 -0.12 -0.04 0.00 0.00 0.00 0.00 54.91 55.02 2qxs h ALA 491 Cb -0.07 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.47 2qxs h ALA 491 CO -0.07 0.30 -0.04 0.87 0.00 0.00 0.00 179.25 180.31 2qxs h LYS 492 N 0.79 0.38 0.00 0.00 1.57 -1.01 -1.86 116.57 116.45 2qxs h LYS 492 Ca 0.20 -0.08 0.00 0.00 -1.87 0.00 0.00 60.65 58.91 2qxs h LYS 492 Cb 0.09 -0.06 0.00 0.00 0.08 0.00 0.00 32.23 32.34 2qxs h LYS 492 CO -0.03 0.44 0.00 0.00 -0.57 0.00 0.00 179.45 179.29 2qxs n ALA 493 N -2.48 2.35 -0.64 3.86 0.00 -0.83 -4.91 120.51 117.86 2qxs n ALA 493 Ca 0.00 -0.14 0.00 0.00 0.00 0.00 0.00 53.44 53.31 2qxs n ALA 493 Cb 0.24 -1.41 0.00 0.00 0.00 0.00 0.00 19.45 18.28 2qxs n ALA 493 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2qxs n GLY 494 N 0.70 0.64 3.77 0.00 0.00 -0.70 -5.05 105.19 104.55 2qxs n GLY 494 Ca 0.16 -0.40 -0.39 0.00 0.00 0.00 0.00 46.02 45.39 2qxs n GLY 494 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2qxs s LEU 495 N 0.00 4.29 0.95 0.99 1.02 -1.03 -5.03 118.68 119.87 2qxs s LEU 495 Ca 0.00 2.41 -0.11 0.00 0.02 0.00 0.00 54.13 56.45 2qxs s LEU 495 Cb 0.00 -3.89 0.16 0.00 0.02 0.00 0.00 46.19 42.48 2qxs s LEU 495 CO 0.00 -0.58 1.09 0.42 0.02 0.00 0.00 176.35 177.30 2qxs s THR 496 N -1.32 2.41 0.25 5.49 -4.23 -1.26 -4.69 115.64 112.29 2qxs s THR 496 Ca 0.54 0.13 -0.04 0.00 -1.18 0.00 0.00 61.69 61.14 2qxs s THR 496 Cb -0.33 -2.39 0.21 0.00 1.34 0.00 0.00 72.50 71.33 2qxs s THR 496 CO 0.42 -0.18 1.79 -0.07 -0.54 0.00 0.00 174.62 176.04 2qxs h LEU 497 N -1.85 0.57 -0.42 4.79 3.38 -1.99 0.48 115.31 120.27 2qxs h LEU 497 Ca -0.50 0.07 -0.01 0.00 0.09 0.00 0.00 57.88 57.52 2qxs h LEU 497 Cb 1.29 -0.03 -0.02 0.00 0.09 0.00 0.00 40.66 41.98 2qxs h LEU 497 CO 0.50 0.30 0.21 -0.61 0.09 0.00 0.00 178.44 178.93 2qxs h GLN 498 N 0.69 0.60 -0.55 1.13 4.15 -2.00 -1.48 115.11 117.65 2qxs h GLN 498 Ca 0.41 -0.08 -0.07 0.00 0.77 0.00 0.00 58.65 59.68 2qxs h GLN 498 Cb 0.46 -0.11 -0.02 0.00 0.21 0.00 0.00 27.48 28.02 2qxs h GLN 498 CO -0.29 0.51 0.08 1.96 -1.93 0.00 0.00 178.83 179.15 2qxs h GLN 499 N 0.54 0.88 -0.17 1.69 4.20 -1.73 -1.61 115.11 118.91 2qxs h GLN 499 Ca 0.15 -0.21 -0.00 0.00 0.06 0.00 0.00 58.65 58.64 2qxs h GLN 499 Cb 0.10 -0.11 -0.01 0.00 0.30 0.00 0.00 27.48 27.75 2qxs h GLN 499 CO -0.02 0.83 0.10 1.96 -0.67 0.00 0.00 178.83 181.03 2qxs h GLN 500 N 0.83 0.23 -0.54 1.46 4.20 -0.56 -0.46 115.11 120.27 2qxs h GLN 500 Ca 0.17 -0.02 -0.07 0.00 0.06 0.00 0.00 58.65 58.79 2qxs h GLN 500 Cb 0.39 -0.05 -0.02 0.00 0.30 0.00 0.00 27.48 28.10 2qxs h GLN 500 CO 0.01 0.20 0.06 0.45 -0.67 0.00 0.00 178.83 178.88 2qxs h HIS 501 N 0.19 0.98 -0.53 2.96 3.86 -1.14 -1.10 115.15 120.37 2qxs h HIS 501 Ca 0.06 -0.15 -0.05 0.00 -1.16 0.00 0.00 60.37 59.07 2qxs h HIS 501 Cb 0.03 -0.26 -0.02 0.00 1.06 0.00 0.00 27.41 28.22 2qxs h HIS 501 CO -0.05 0.88 0.15 1.96 0.86 0.00 0.00 177.93 181.73 2qxs h GLN 502 N 0.79 0.83 -0.32 2.45 4.20 -1.18 -1.77 115.11 120.12 2qxs h GLN 502 Ca 0.16 -0.19 -0.11 0.00 0.06 0.00 0.00 58.65 58.57 2qxs h GLN 502 Cb 0.45 -0.11 -0.01 0.00 0.30 0.00 0.00 27.48 28.11 2qxs h GLN 502 CO 0.02 0.78 -0.21 -0.09 -0.67 0.00 0.00 178.83 178.65 2qxs h ARG 503 N 0.73 0.71 -0.47 1.46 2.43 -0.96 -0.99 114.38 117.30 2qxs h ARG 503 Ca 0.17 -0.34 0.08 0.00 -0.81 0.00 0.00 59.98 59.08 2qxs h ARG 503 Cb 0.31 -0.01 -0.07 0.00 -0.42 0.00 0.00 29.97 29.78 2qxs h ARG 503 CO -0.00 0.95 0.10 1.25 -1.51 0.00 0.00 179.97 180.75 2qxs h LEU 504 N 0.48 0.01 -0.32 3.80 5.85 -1.10 -0.83 115.31 123.20 2qxs h LEU 504 Ca 0.06 0.08 -0.01 0.00 0.84 0.00 0.00 57.88 58.86 2qxs h LEU 504 Cb 0.77 0.11 -0.01 0.00 0.37 0.00 0.00 40.66 41.89 2qxs h LEU 504 CO 0.06 0.03 0.16 0.00 -0.34 0.00 0.00 178.44 178.35 2qxs h ALA 505 N 1.37 0.41 -0.58 1.25 0.00 -1.08 -1.35 119.26 119.28 2qxs h ALA 505 Ca 0.24 -0.09 0.06 0.00 0.00 0.00 0.00 54.91 55.12 2qxs h ALA 505 Cb 0.31 -0.13 -0.05 0.00 0.00 0.00 0.00 17.79 17.92 2qxs h ALA 505 CO -0.31 -0.04 0.28 1.96 0.00 0.00 0.00 179.25 181.14 2qxs h GLN 506 N 0.38 0.52 -0.36 0.00 4.20 -0.76 -0.22 115.11 118.87 2qxs h GLN 506 Ca 0.11 -0.03 -0.04 0.00 0.06 0.00 0.00 58.65 58.75 2qxs h GLN 506 Cb 0.10 -0.12 -0.01 0.00 0.30 0.00 0.00 27.48 27.75 2qxs h GLN 506 CO -0.02 0.34 0.08 -0.07 -0.67 0.00 0.00 178.83 178.49 2qxs h LEU 507 N 0.53 0.55 -1.09 1.46 3.38 -0.93 -2.87 115.31 116.34 2qxs h LEU 507 Ca 0.26 -0.24 -0.08 0.00 0.09 0.00 0.00 57.88 57.91 2qxs h LEU 507 Cb 0.21 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.80 2qxs h LEU 507 CO -0.20 0.65 -0.28 -0.07 0.09 0.00 0.00 178.44 178.64 2qxs h LEU 508 N 0.43 0.30 -1.30 1.67 3.38 -0.83 -2.65 115.31 116.31 2qxs h LEU 508 Ca 0.11 -0.10 -0.07 0.00 0.09 0.00 0.00 57.88 57.91 2qxs h LEU 508 Cb 0.32 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 40.98 2qxs h LEU 508 CO 0.00 0.57 -0.32 -0.07 0.09 0.00 0.00 178.44 178.72 2qxs h LEU 509 N 0.27 0.06 -1.73 1.67 3.38 -0.96 -1.96 115.31 116.04 2qxs h LEU 509 Ca 0.04 -0.02 -0.01 0.00 0.09 0.00 0.00 57.88 57.99 2qxs h LEU 509 Cb 0.63 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 41.35 2qxs h LEU 509 CO 0.05 0.37 0.10 0.40 0.09 0.00 0.00 178.44 179.45 2qxs h ILE 510 N 0.05 1.07 -0.17 1.22 2.04 -1.25 -2.15 117.51 118.33 2qxs h ILE 510 Ca 0.01 -0.20 -0.00 0.00 1.00 0.00 0.00 64.86 65.66 2qxs h ILE 510 Cb 0.59 0.81 -0.01 0.00 -0.74 0.00 0.00 36.82 37.47 2qxs h ILE 510 CO 0.04 0.08 0.09 -0.07 0.00 0.00 0.00 178.15 178.30 2qxs h LEU 511 N 0.28 0.20 -0.75 1.44 3.38 -1.34 -0.49 115.31 118.02 2qxs h LEU 511 Ca 0.07 -0.01 -0.10 0.00 0.09 0.00 0.00 57.88 57.94 2qxs h LEU 511 Cb 0.03 -0.05 -0.02 0.00 0.09 0.00 0.00 40.66 40.71 2qxs h LEU 511 CO -0.01 0.16 -0.09 -1.28 0.09 0.00 0.00 178.44 177.31 2qxs h SER 512 N 0.23 0.84 -0.45 -0.43 0.87 -1.45 -1.24 113.55 111.93 2qxs h SER 512 Ca 0.06 -0.25 -0.10 0.00 -1.23 0.00 0.00 61.79 60.26 2qxs h SER 512 Cb 0.01 -0.23 -0.02 0.00 -0.44 0.00 0.00 62.40 61.72 2qxs h SER 512 CO -0.01 0.96 -0.10 -0.74 -0.53 0.00 0.00 176.83 176.41 2qxs h HIS 513 N 0.77 1.01 -0.74 2.24 -0.00 -1.18 -1.39 115.15 115.85 2qxs h HIS 513 Ca 0.13 -0.19 -0.05 0.00 -0.00 0.00 0.00 60.37 60.25 2qxs h HIS 513 Cb 0.60 -0.25 -0.03 0.00 -0.00 0.00 0.00 27.41 27.72 2qxs h HIS 513 CO 0.03 0.96 0.25 0.82 -0.00 0.00 0.00 177.93 179.99 2qxs h ILE 514 N 0.82 1.26 -0.36 6.26 2.04 -0.90 -0.46 117.51 126.17 2qxs h ILE 514 Ca 0.13 -0.87 -0.00 0.00 1.00 0.00 0.00 64.86 65.13 2qxs h ILE 514 Cb 0.63 0.42 -0.02 0.00 -0.74 0.00 0.00 36.82 37.11 2qxs h ILE 514 CO 0.04 0.34 0.22 -0.09 0.00 0.00 0.00 178.15 178.66 2qxs h ARG 515 N 1.09 0.49 -0.36 2.37 9.65 -1.03 -0.78 114.38 125.81 2qxs h ARG 515 Ca 0.24 -0.04 0.05 0.00 -1.10 0.00 0.00 59.98 59.13 2qxs h ARG 515 Cb 0.27 -0.10 -0.05 0.00 -1.39 0.00 0.00 29.97 28.70 2qxs h ARG 515 CO -0.01 0.37 0.08 1.25 2.80 0.00 0.00 179.97 184.45 2qxs h HIS 516 N 0.47 0.13 -0.75 2.20 2.76 -0.74 -0.09 115.15 119.13 2qxs h HIS 516 Ca 0.13 0.02 -0.05 0.00 -2.20 0.00 0.00 60.37 58.27 2qxs h HIS 516 Cb 0.00 -0.00 -0.03 0.00 1.55 0.00 0.00 27.41 28.93 2qxs h HIS 516 CO -0.04 0.02 0.28 0.52 -1.30 0.00 0.00 177.93 177.42 2qxs h MET 517 N 0.20 1.13 -0.50 5.26 2.86 -0.78 -0.81 114.93 122.29 2qxs h MET 517 Ca 0.17 -0.21 -0.01 0.00 -2.06 0.00 0.00 59.70 57.59 2qxs h MET 517 Cb 0.19 -0.18 -0.02 0.00 0.06 0.00 0.00 31.60 31.65 2qxs h MET 517 CO -0.22 0.93 0.27 0.66 1.06 0.00 0.00 176.91 179.61 2qxs h SER 518 N 1.10 0.63 -0.08 1.22 4.64 -0.62 0.31 113.55 120.75 2qxs h SER 518 Ca 0.25 -0.10 0.00 0.00 -0.47 0.00 0.00 61.79 61.47 2qxs h SER 518 Cb 0.23 -0.16 -0.00 0.00 -0.31 0.00 0.00 62.40 62.16 2qxs h SER 518 CO -0.02 0.54 0.05 0.78 -0.87 0.00 0.00 176.83 177.31 2qxs h ASN 519 N 0.66 0.09 -0.55 4.97 -0.26 -0.64 0.12 115.58 119.97 2qxs h ASN 519 Ca 0.17 -0.00 -0.07 0.00 -0.56 0.00 0.00 56.30 55.84 2qxs h ASN 519 Cb 0.06 -0.02 -0.02 0.00 -1.06 0.00 0.00 38.32 37.27 2qxs h ASN 519 CO -0.03 0.06 0.08 0.11 -1.06 0.00 0.00 177.43 176.60 2qxs h LYS 520 N 0.10 0.95 -0.49 0.81 1.79 -1.02 -1.88 116.57 116.83 2qxs h LYS 520 Ca 0.03 -0.24 -0.05 0.00 -2.18 0.00 0.00 60.65 58.21 2qxs h LYS 520 Cb -0.01 -0.12 -0.02 0.00 -1.58 0.00 0.00 32.23 30.50 2qxs h LYS 520 CO -0.01 0.89 0.10 0.78 -1.08 0.00 0.00 179.45 180.14 2qxs h GLY 521 N 1.02 0.86 0.99 3.86 0.00 -0.18 -1.35 103.07 108.27 2qxs h GLY 521 Ca 0.18 -0.55 -0.01 0.00 0.00 0.00 0.00 47.33 46.95 2qxs h GLY 521 CO 0.01 0.51 0.31 -0.33 0.00 0.00 0.00 176.54 177.05 2qxs h MET 522 N 0.68 0.79 -0.54 4.80 2.86 -0.56 0.92 114.93 123.87 2qxs h MET 522 Ca 0.15 -0.09 0.02 0.00 -2.06 0.00 0.00 59.70 57.72 2qxs h MET 522 Cb 0.36 -0.16 -0.03 0.00 0.06 0.00 0.00 31.60 31.83 2qxs h MET 522 CO 0.00 0.60 0.33 0.93 1.06 0.00 0.00 176.91 179.83 2qxs h GLU 523 N 0.76 0.63 -0.07 1.72 5.08 -1.20 0.32 114.58 121.82 2qxs h GLU 523 Ca 0.20 -0.04 0.01 0.00 -1.00 0.00 0.00 59.36 58.53 2qxs h GLU 523 Cb 0.04 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 29.14 2qxs h GLU 523 CO -0.03 0.42 0.02 1.25 -1.00 0.00 0.00 179.01 179.67 2qxs h HIS 524 N 0.65 0.04 -0.60 4.33 2.76 -0.82 -0.78 115.15 120.72 2qxs h HIS 524 Ca 0.21 0.00 -0.01 0.00 -2.20 0.00 0.00 60.37 58.38 2qxs h HIS 524 Cb 0.01 -0.01 -0.03 0.00 1.55 0.00 0.00 27.41 28.93 2qxs h HIS 524 CO -0.06 0.02 0.35 -0.07 -1.30 0.00 0.00 177.93 176.87 2qxs h LEU 525 N 0.06 0.74 -1.27 0.26 4.07 -0.57 -2.04 115.31 116.56 2qxs h LEU 525 Ca 0.03 -0.08 -0.01 0.00 0.08 0.00 0.00 57.88 57.91 2qxs h LEU 525 Cb 0.02 -0.19 -0.03 0.00 1.08 0.00 0.00 40.66 41.54 2qxs h LEU 525 CO -0.03 0.60 0.38 1.88 -1.08 0.00 0.00 178.44 180.19 2qxs h TYR 526 N 0.82 0.85 0.00 1.13 0.05 -0.75 -2.46 116.97 116.61 2qxs h TYR 526 Ca 0.21 -0.00 -0.00 0.00 0.05 0.00 0.00 58.73 58.99 2qxs h TYR 526 Cb 0.01 -0.28 -0.00 0.00 1.01 0.00 0.00 36.73 37.47 2qxs h TYR 526 CO -0.02 0.58 -0.01 0.66 -1.05 0.00 0.00 178.16 178.32 2qxs h SER 527 N 0.90 0.00 1.24 3.88 4.64 -0.41 -2.64 113.55 121.16 2qxs h SER 527 Ca 0.23 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.55 2qxs h SER 527 Cb -0.02 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.07 2qxs h SER 527 CO -0.04 0.01 0.00 0.24 -0.87 0.00 0.00 176.83 176.17 2qxs h MET 528 N 0.00 0.00 -5.38 4.77 2.86 -1.21 -3.51 114.93 112.46 2qxs h MET 528 Ca -0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 2qxs h MET 528 Cb 0.20 0.00 -0.07 0.00 0.06 0.00 0.00 31.60 31.80 2qxs h MET 528 CO 0.00 0.00 -0.88 1.63 1.06 0.00 0.00 176.91 178.72 2qxs n LYS 529 N -2.60 -3.18 0.08 1.72 4.76 -1.00 -5.15 118.16 112.80 2qxs n LYS 529 Ca 0.03 2.48 -0.15 0.00 -2.87 0.00 0.00 58.31 57.80 2qxs n LYS 529 Cb 0.36 -3.20 -0.08 0.00 -1.84 0.00 0.00 35.03 30.27 2qxs n LYS 529 CO 0.00 0.00 0.00 0.87 -1.37 0.00 0.00 177.40 176.90 2qxs h LYS 531 N 4.51 0.37 -2.50 1.97 1.79 -2.02 -3.53 116.57 117.16 2qxs h LYS 531 Ca -0.29 -0.47 -0.07 0.00 -2.18 0.00 0.00 60.65 57.64 2qxs h LYS 531 Cb 0.66 0.15 -0.18 0.00 -1.58 0.00 0.00 32.23 31.28 2qxs h LYS 531 CO 0.00 1.16 0.07 1.21 -1.08 0.00 0.00 179.45 180.81 2qxs s ASN 532 N -7.13 -0.50 0.14 0.86 3.84 -1.26 -5.10 114.94 105.78 2qxs s ASN 532 Ca -0.05 0.37 0.00 0.00 0.21 0.00 0.00 52.86 53.39 2qxs s ASN 532 Cb 0.08 0.49 0.00 0.00 -0.55 0.00 0.00 41.25 41.27 2qxs s ASN 532 CO 0.88 -0.65 0.00 0.52 -2.79 0.00 0.00 177.10 175.05 2qxs n VAL 533 N 0.68 0.49 -3.63 -5.21 0.31 -1.26 -5.03 118.33 104.68 2qxs n VAL 533 Ca -0.19 0.16 -0.33 0.00 -0.01 0.00 0.00 64.34 63.98 2qxs n VAL 533 Cb 0.59 -1.09 -0.05 0.00 -0.91 0.00 0.00 33.84 32.38 2qxs n VAL 533 CO 0.00 0.00 0.00 0.68 -1.32 0.00 0.00 176.83 176.19 2qxs s VAL 534 N -2.00 5.14 0.20 2.52 -7.23 -1.26 -5.05 120.40 112.71 2qxs s VAL 534 Ca 0.00 0.21 -0.30 0.00 -1.81 0.00 0.00 61.98 60.08 2qxs s VAL 534 Cb 0.00 -3.63 -0.08 0.00 0.56 0.00 0.00 36.38 33.23 2qxs s VAL 534 CO 0.00 0.13 1.23 -2.16 -0.31 0.00 0.00 175.10 173.99 2qxs s PRO 535 N -2.36 4.46 0.80 4.82 0.04 -1.26 -5.00 135.00 136.50 2qxs s PRO 535 Ca 0.38 1.94 -0.11 0.00 0.04 0.00 0.00 61.00 63.25 2qxs s PRO 535 Cb -0.13 -3.22 0.08 0.00 0.04 0.00 0.00 34.50 31.27 2qxs s PRO 535 CO 0.22 -0.13 1.11 -1.54 0.04 0.00 0.00 177.00 176.69 2qxs s SER 536 N 0.13 4.15 0.15 6.66 1.04 -1.26 -4.85 113.70 119.72 2qxs s SER 536 Ca 0.53 1.92 -0.18 0.00 0.48 0.00 0.00 55.95 58.70 2qxs s SER 536 Cb -0.34 -2.53 0.03 0.00 0.10 0.00 0.00 66.02 63.28 2qxs s SER 536 CO 0.38 -2.27 1.70 0.22 0.98 0.00 0.00 173.24 174.25 2qxs h TYR 537 N -1.26 -0.06 -0.85 5.02 5.03 -1.97 -1.70 116.97 121.18 2qxs h TYR 537 Ca -0.44 0.02 -0.01 0.00 2.58 0.00 0.00 58.73 60.89 2qxs h TYR 537 Cb 1.24 0.07 -0.04 0.00 1.55 0.00 0.00 36.73 39.55 2qxs h TYR 537 CO 0.56 -0.08 0.50 -0.44 -1.32 0.00 0.00 178.16 177.38 2qxs h ASP 538 N 0.06 1.03 -0.17 -2.11 5.19 -1.99 0.05 116.42 118.49 2qxs h ASP 538 Ca 0.14 -0.07 -0.01 0.00 -0.62 0.00 0.00 57.03 56.47 2qxs h ASP 538 Cb 0.20 -0.26 -0.01 0.00 0.18 0.00 0.00 39.33 39.44 2qxs h ASP 538 CO -0.26 0.80 0.07 0.25 -3.12 0.00 0.00 179.24 176.98 2qxs h LEU 539 N 1.18 0.24 -0.62 1.55 5.85 -1.84 -0.08 115.31 121.58 2qxs h LEU 539 Ca 0.30 -0.16 -0.04 0.00 0.84 0.00 0.00 57.88 58.82 2qxs h LEU 539 Cb -0.02 -0.06 -0.03 0.00 0.37 0.00 0.00 40.66 40.92 2qxs h LEU 539 CO -0.05 0.33 0.24 -0.07 -0.34 0.00 0.00 178.44 178.55 2qxs h LEU 540 N 0.12 0.86 -0.69 2.25 3.38 -1.02 -1.44 115.31 118.77 2qxs h LEU 540 Ca 0.06 -0.17 -0.04 0.00 0.09 0.00 0.00 57.88 57.81 2qxs h LEU 540 Cb 0.17 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 40.67 2qxs h LEU 540 CO -0.00 0.80 0.26 0.25 0.09 0.00 0.00 178.44 179.84 2qxs h LEU 541 N 0.87 0.97 -0.50 1.67 5.85 -0.85 -0.96 115.31 122.36 2qxs h LEU 541 Ca 0.21 -0.18 -0.02 0.00 0.84 0.00 0.00 57.88 58.73 2qxs h LEU 541 Cb 0.21 -0.25 -0.02 0.00 0.37 0.00 0.00 40.66 40.97 2qxs h LEU 541 CO -0.02 0.89 0.25 -0.08 -0.34 0.00 0.00 178.44 179.15 2qxs h GLU 542 N 1.00 0.71 -0.31 1.25 4.81 -0.65 -2.42 114.58 118.97 2qxs h GLU 542 Ca 0.23 -0.10 -0.04 0.00 -0.13 0.00 0.00 59.36 59.32 2qxs h GLU 542 Cb 0.24 -0.13 -0.02 0.00 0.63 0.00 0.00 28.75 29.47 2qxs h GLU 542 CO -0.02 0.59 0.04 0.52 -0.73 0.00 0.00 179.01 179.41 2qxs h MET 543 N 0.66 0.47 0.00 1.92 2.86 -0.88 -1.82 114.93 118.14 2qxs h MET 543 Ca 0.17 -0.08 -0.01 0.00 -2.06 0.00 0.00 59.70 57.72 2qxs h MET 543 Cb 0.10 -0.08 -0.00 0.00 0.06 0.00 0.00 31.60 31.68 2qxs h MET 543 CO -0.02 0.46 -0.04 -0.07 1.06 0.00 0.00 176.91 178.30 2qxs h LEU 544 N 0.46 0.00 -2.57 1.22 3.38 -0.68 -3.47 115.31 113.64 2qxs h LEU 544 Ca 0.10 0.00 -0.12 0.00 0.09 0.00 0.00 57.88 57.95 2qxs h LEU 544 Cb 0.24 0.00 0.04 0.00 0.09 0.00 0.00 40.66 41.03 2qxs h LEU 544 CO 0.00 0.04 -0.33 -0.67 0.09 0.00 0.00 178.44 177.58 2qxs n ASP 545 N -3.26 -7.16 -4.58 -0.43 2.03 -0.68 -4.88 116.55 97.59 2qxs n ASP 545 Ca -0.01 -0.34 -0.46 0.00 0.52 0.00 0.00 54.79 54.51 2qxs n ASP 545 Cb 0.22 -4.84 -0.02 0.00 -0.72 0.00 0.00 41.12 35.76 2qxs n ASP 545 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2qxs n ALA 546 N -2.28 -0.41 -0.60 -1.67 0.00 -1.26 -5.00 120.51 109.30 2qxs n ALA 546 Ca -0.05 0.41 -0.29 0.00 0.00 0.00 0.00 53.44 53.51 2qxs n ALA 546 Cb 0.55 -2.02 0.22 0.00 0.00 0.00 0.00 19.45 18.20 2qxs n ALA 546 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.50 176.49 2qxs s HIS 547 N -0.80 1.45 0.00 0.00 0.09 -1.26 -5.21 115.29 109.57 2qxs s HIS 547 Ca 0.63 1.46 0.00 0.00 -0.00 0.00 0.00 55.06 57.15 2qxs s HIS 547 Cb -0.74 -3.20 0.00 0.00 -0.00 0.00 0.00 32.58 28.63 2qxs s HIS 547 CO 0.57 -3.43 0.38 0.54 -0.00 0.00 0.00 174.74 172.81