#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3n00 s THR 284 N 0.00 3.49 0.38 0.52 -4.23 -1.26 -4.88 115.64 109.66 3n00 s THR 284 Ca 0.00 0.99 0.15 0.00 -1.18 0.00 0.00 61.69 61.64 3n00 s THR 284 Cb 0.00 -3.44 0.36 0.00 1.34 0.00 0.00 72.50 70.77 3n00 s THR 284 CO 0.00 -0.14 1.80 0.58 -0.54 0.00 0.00 174.62 176.32 3n00 h VAL 285 N 1.61 0.63 -0.25 2.29 2.07 -1.99 -2.23 116.25 118.37 3n00 h VAL 285 Ca -0.49 -0.17 -0.11 0.00 0.82 0.00 0.00 66.70 66.75 3n00 h VAL 285 Cb 1.24 0.08 -0.00 0.00 -1.52 0.00 0.00 31.29 31.08 3n00 h VAL 285 CO 0.59 0.09 -0.26 -0.33 0.02 0.00 0.00 177.57 177.68 3n00 h GLU 286 N 0.51 0.62 -0.13 1.57 3.07 -1.98 -2.14 114.58 116.09 3n00 h GLU 286 Ca 0.55 -0.33 0.04 0.00 -0.50 0.00 0.00 59.36 59.12 3n00 h GLU 286 Cb 1.22 0.01 -0.04 0.00 -0.84 0.00 0.00 28.75 29.11 3n00 h GLU 286 CO -0.28 0.93 -0.12 -0.44 -1.40 0.00 0.00 179.01 177.70 3n00 h ASP 287 N 0.34 -0.37 0.23 1.42 3.32 -1.79 -0.22 116.42 119.35 3n00 h ASP 287 Ca 0.04 0.07 0.00 0.00 0.02 0.00 0.00 57.03 57.17 3n00 h ASP 287 Cb 0.82 0.18 -0.02 0.00 0.22 0.00 0.00 39.33 40.54 3n00 h ASP 287 CO 0.06 -0.16 -0.25 0.58 -1.72 0.00 0.00 179.24 177.76 3n00 h VAL 288 N -0.14 0.46 -0.36 -1.35 2.07 -1.45 0.51 116.25 116.00 3n00 h VAL 288 Ca 0.09 0.00 0.07 0.00 0.82 0.00 0.00 66.70 67.68 3n00 h VAL 288 Cb 0.26 0.46 -0.06 0.00 -1.52 0.00 0.00 31.29 30.44 3n00 h VAL 288 CO -0.21 0.00 -0.02 0.40 0.02 0.00 0.00 177.57 177.75 3n00 h ILE 289 N -0.52 0.70 0.39 4.57 2.04 -1.31 0.18 117.51 123.56 3n00 h ILE 289 Ca -0.00 -0.02 -0.02 0.00 1.00 0.00 0.00 64.86 65.82 3n00 h ILE 289 Cb 0.49 0.62 0.00 0.00 -0.74 0.00 0.00 36.82 37.20 3n00 h ILE 289 CO -0.07 0.01 -0.19 -1.28 0.00 0.00 0.00 178.15 176.63 3n00 h SER 290 N 0.07 -0.45 -0.14 1.72 0.87 -0.74 -1.15 113.55 113.73 3n00 h SER 290 Ca 0.18 -0.03 0.02 0.00 -1.23 0.00 0.00 61.79 60.73 3n00 h SER 290 Cb 0.26 0.12 -0.02 0.00 -0.44 0.00 0.00 62.40 62.31 3n00 h SER 290 CO -0.32 -0.26 0.00 -0.61 -0.53 0.00 0.00 176.83 175.12 3n00 h GLN 291 N -0.61 0.05 -0.18 2.24 4.15 0.24 -1.85 115.11 119.15 3n00 h GLN 291 Ca -0.05 -0.00 -0.01 0.00 0.77 0.00 0.00 58.65 59.35 3n00 h GLN 291 Cb 0.45 -0.01 -0.01 0.00 0.21 0.00 0.00 27.48 28.12 3n00 h GLN 291 CO 0.09 0.03 0.08 0.28 -1.93 0.00 0.00 178.83 177.38 3n00 h VAL 292 N 0.05 1.15 -0.82 2.39 2.07 -0.97 -2.08 116.25 118.04 3n00 h VAL 292 Ca 0.07 -0.43 0.02 0.00 0.82 0.00 0.00 66.70 67.17 3n00 h VAL 292 Cb 0.08 1.11 -0.04 0.00 -1.52 0.00 0.00 31.29 30.91 3n00 h VAL 292 CO -0.11 0.14 0.54 0.00 0.02 0.00 0.00 177.57 178.16 3n00 h ALA 293 N 0.93 1.45 0.27 1.67 0.00 -1.07 0.05 119.26 122.56 3n00 h ALA 293 Ca 0.06 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.91 3n00 h ALA 293 Cb 0.15 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 17.63 3n00 h ALA 293 CO -0.01 0.49 -0.13 -0.09 0.00 0.00 0.00 179.25 179.52 3n00 h ARG 294 N 1.07 -0.35 -0.65 0.00 2.43 -1.27 -1.13 114.38 114.49 3n00 h ARG 294 Ca 0.31 0.02 0.11 0.00 -0.81 0.00 0.00 59.98 59.61 3n00 h ARG 294 Cb -0.06 0.08 -0.08 0.00 -0.42 0.00 0.00 29.97 29.49 3n00 h ARG 294 CO -0.08 -0.04 0.24 0.00 -1.51 0.00 0.00 179.97 178.59 3n00 h ALA 295 N -0.05 0.85 -0.71 2.80 0.00 -1.04 0.76 119.26 121.87 3n00 h ALA 295 Ca -0.04 0.09 0.01 0.00 0.00 0.00 0.00 54.91 54.97 3n00 h ALA 295 Cb 0.47 0.07 -0.04 0.00 0.00 0.00 0.00 17.79 18.29 3n00 h ALA 295 CO 0.06 -0.19 0.47 1.25 0.00 0.00 0.00 179.25 180.83 3n00 h HIS 296 N 0.42 0.90 -0.43 0.00 -0.00 -0.94 -0.82 115.15 114.27 3n00 h HIS 296 Ca 0.33 0.02 -0.10 0.00 -0.00 0.00 0.00 60.37 60.62 3n00 h HIS 296 Cb 0.44 -0.30 -0.01 0.00 -0.00 0.00 0.00 27.41 27.53 3n00 h HIS 296 CO -0.17 0.57 -0.12 0.00 -0.00 0.00 0.00 177.93 178.20 3n00 h ARG 297 N 0.96 0.84 -0.16 5.26 3.08 -0.22 -2.38 114.38 121.76 3n00 h ARG 297 Ca 0.26 -0.33 -0.04 0.00 0.07 0.00 0.00 59.98 59.94 3n00 h ARG 297 Cb -0.11 -0.04 -0.00 0.00 0.08 0.00 0.00 29.97 29.89 3n00 h ARG 297 CO -0.06 0.96 -0.07 0.93 -1.07 0.00 0.00 179.97 180.67 3n00 h GLU 298 N 0.67 0.33 0.00 0.04 5.08 -0.72 -3.35 114.58 116.63 3n00 h GLU 298 Ca 0.11 -0.14 -0.17 0.00 -1.00 0.00 0.00 59.36 58.15 3n00 h GLU 298 Cb 0.66 -0.01 -0.03 0.00 0.50 0.00 0.00 28.75 29.87 3n00 h GLU 298 CO 0.05 0.63 -1.24 0.82 -1.00 0.00 0.00 179.01 178.27 3n00 h ILE 299 N 0.02 0.70 -3.31 3.13 2.04 -1.20 -3.51 117.51 115.38 3n00 h ILE 299 Ca 0.04 -2.24 -0.66 0.00 1.00 0.00 0.00 64.86 63.00 3n00 h ILE 299 Cb 0.53 2.22 -0.12 0.00 -0.74 0.00 0.00 36.82 38.70 3n00 h ILE 299 CO 0.02 0.40 -0.63 -0.36 0.00 0.00 0.00 178.15 177.58 3n00 s PHE 300 N -2.87 3.10 0.00 1.37 0.08 -0.90 -4.95 117.98 113.81 3n00 s PHE 300 Ca -0.01 0.08 0.00 0.00 0.12 0.00 0.00 56.93 57.11 3n00 s PHE 300 Cb 0.08 -1.65 0.00 0.00 -0.57 0.00 0.00 43.02 40.88 3n00 s PHE 300 CO 0.80 0.48 0.00 0.28 -0.10 0.00 0.00 175.22 176.68 3n00 n VAL 432 N 1.13 0.00 0.06 -0.44 0.31 -1.26 -4.78 118.33 113.35 3n00 n VAL 432 Ca -0.13 0.00 0.01 0.00 -0.01 0.00 0.00 64.34 64.21 3n00 n VAL 432 Cb 0.52 0.00 -0.00 0.00 -0.91 0.00 0.00 33.84 33.45 3n00 n VAL 432 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3n00 n GLN 433 N -0.33 2.96 0.08 5.55 10.64 -1.26 -4.68 117.38 130.33 3n00 n GLN 433 Ca 0.00 -0.29 -0.01 0.00 -1.83 0.00 0.00 57.00 54.87 3n00 n GLN 433 Cb 0.00 -0.79 0.27 0.00 -0.86 0.00 0.00 30.24 28.86 3n00 n GLN 433 CO 0.00 0.00 0.00 0.93 -1.83 0.00 0.00 177.06 176.16 3n00 h GLU 434 N 0.14 0.31 -0.53 2.61 4.39 -2.03 -1.85 114.58 117.62 3n00 h GLU 434 Ca 0.00 -0.11 -0.07 0.00 0.34 0.00 0.00 59.36 59.52 3n00 h GLU 434 Cb 0.05 -0.02 -0.02 0.00 -0.10 0.00 0.00 28.75 28.65 3n00 h GLU 434 CO 0.00 0.56 0.04 0.82 -1.16 0.00 0.00 179.01 179.27 3n00 h ILE 435 N 0.28 1.25 -0.15 3.13 5.03 -1.99 -1.52 117.51 123.53 3n00 h ILE 435 Ca 0.04 -1.00 -0.10 0.00 -0.12 0.00 0.00 64.86 63.68 3n00 h ILE 435 Cb 0.62 0.80 0.00 0.00 -3.03 0.00 0.00 36.82 35.20 3n00 h ILE 435 CO 0.04 0.36 -0.31 -0.25 -0.68 0.00 0.00 178.15 177.32 3n00 h TRP 436 N 0.82 0.60 -0.87 1.37 7.01 -1.80 -0.94 115.95 122.15 3n00 h TRP 436 Ca 0.16 -0.22 0.04 0.00 2.11 0.00 0.00 58.89 60.99 3n00 h TRP 436 Cb 0.44 -0.11 -0.05 0.00 -2.10 0.00 0.00 29.16 27.34 3n00 h TRP 436 CO 0.03 0.93 0.57 0.93 -2.79 0.00 0.00 178.44 178.11 3n00 h GLU 437 N 0.09 1.02 -0.09 2.65 5.08 -1.33 0.81 114.58 122.82 3n00 h GLU 437 Ca 0.00 -0.06 -0.06 0.00 -1.00 0.00 0.00 59.36 58.24 3n00 h GLU 437 Cb 0.90 -0.23 0.00 0.00 0.50 0.00 0.00 28.75 29.92 3n00 h GLU 437 CO 0.07 0.67 -0.19 0.38 -1.00 0.00 0.00 179.01 178.95 3n00 h ASP 438 N 1.05 0.32 -0.56 1.42 2.03 -1.07 -2.04 116.42 117.57 3n00 h ASP 438 Ca 0.35 -0.57 0.06 0.00 -0.73 0.00 0.00 57.03 56.15 3n00 h ASP 438 Cb 0.07 -0.09 -0.06 0.00 -0.83 0.00 0.00 39.33 38.43 3n00 h ASP 438 CO -0.11 0.83 0.26 0.15 -1.03 0.00 0.00 179.24 179.33 3n00 h PHE 439 N -0.18 0.46 -0.81 4.15 3.57 -1.17 -2.77 116.94 120.20 3n00 h PHE 439 Ca 0.00 0.02 0.02 0.00 3.53 0.00 0.00 57.97 61.55 3n00 h PHE 439 Cb 0.78 -0.12 -0.05 0.00 2.79 0.00 0.00 35.95 39.35 3n00 h PHE 439 CO 0.11 0.19 0.52 0.77 -2.23 0.00 0.00 178.31 177.67 3n00 h SER 440 N 0.48 0.88 0.49 0.41 0.02 -0.52 -2.13 113.55 113.18 3n00 h SER 440 Ca 0.26 -0.01 0.00 0.00 -0.84 0.00 0.00 61.79 61.20 3n00 h SER 440 Cb 0.23 -0.20 0.00 0.00 0.14 0.00 0.00 62.40 62.57 3n00 h SER 440 CO -0.22 0.62 -0.16 0.23 -1.14 0.00 0.00 176.83 176.16 3n00 n MET 441 N -4.56 0.46 -0.32 3.45 2.81 -0.79 -3.36 117.12 114.80 3n00 n MET 441 Ca 0.09 -0.17 -0.00 0.00 -1.81 0.00 0.00 57.70 55.81 3n00 n MET 441 Cb 0.06 -1.50 0.17 0.00 -0.71 0.00 0.00 33.22 31.25 3n00 n MET 441 CO 0.00 0.00 0.00 1.03 1.51 0.00 0.00 175.97 178.51 3n00 h SER 442 N 0.41 1.03 0.10 7.83 0.87 -1.08 -3.28 113.55 119.42 3n00 h SER 442 Ca 0.00 -0.02 -0.06 0.00 -1.23 0.00 0.00 61.79 60.48 3n00 h SER 442 Cb 0.41 -0.25 -0.01 0.00 -0.44 0.00 0.00 62.40 62.12 3n00 h SER 442 CO 0.00 0.73 -0.19 -0.26 -0.53 0.00 0.00 176.83 176.58 3n00 h PHE 443 N 1.20 0.19 0.14 2.24 0.04 -1.65 -3.08 116.94 116.02 3n00 h PHE 443 Ca 0.35 -0.02 -0.01 0.00 2.80 0.00 0.00 57.97 61.09 3n00 h PHE 443 Cb -0.08 -0.05 0.00 0.00 2.20 0.00 0.00 35.95 38.02 3n00 h PHE 443 CO -0.00 0.37 -0.07 1.15 -0.60 0.00 0.00 178.31 179.16 3n00 h THR 444 N 0.17 0.98 -0.26 -1.55 2.02 -1.78 0.32 112.91 112.80 3n00 h THR 444 Ca 0.03 -0.53 -0.08 0.00 0.77 0.00 0.00 66.41 66.60 3n00 h THR 444 Cb 0.44 1.31 -0.01 0.00 -1.74 0.00 0.00 68.15 68.15 3n00 h THR 444 CO 0.03 0.13 -0.18 1.55 0.37 0.00 0.00 175.52 177.42 3n00 h PRO 445 N -0.44 0.47 -0.21 6.66 0.13 -1.76 -2.36 132.00 134.48 3n00 h PRO 445 Ca -0.02 -0.15 -0.00 0.00 -0.87 0.00 0.00 66.00 64.96 3n00 h PRO 445 Cb 0.35 -0.04 -0.01 0.00 0.13 0.00 0.00 31.00 31.42 3n00 h PRO 445 CO 0.03 0.63 0.12 0.00 -0.23 0.00 0.00 178.00 178.55 3n00 h ALA 446 N 1.39 0.27 -0.96 -0.56 0.00 -1.40 0.73 119.26 118.73 3n00 h ALA 446 Ca 0.07 -0.06 0.01 0.00 0.00 0.00 0.00 54.91 54.93 3n00 h ALA 446 Cb 0.56 -0.08 -0.05 0.00 0.00 0.00 0.00 17.79 18.21 3n00 h ALA 446 CO 0.04 -0.20 0.62 0.28 0.00 0.00 0.00 179.25 179.99 3n00 h VAL 447 N 0.24 1.25 -0.15 0.00 2.07 -0.31 -1.08 116.25 118.28 3n00 h VAL 447 Ca 0.07 -0.48 -0.08 0.00 0.82 0.00 0.00 66.70 67.03 3n00 h VAL 447 Cb 0.06 -0.15 -0.01 0.00 -1.52 0.00 0.00 31.29 29.66 3n00 h VAL 447 CO -0.01 0.25 -0.28 0.03 0.02 0.00 0.00 177.57 177.57 3n00 h ARG 448 N 1.31 0.28 -0.50 1.57 3.08 -1.02 -0.68 114.38 118.42 3n00 h ARG 448 Ca 0.35 -0.10 -0.06 0.00 0.07 0.00 0.00 59.98 60.24 3n00 h ARG 448 Cb -0.13 -0.02 -0.02 0.00 0.08 0.00 0.00 29.97 29.88 3n00 h ARG 448 CO -0.07 0.55 0.09 0.93 -1.07 0.00 0.00 179.97 180.39 3n00 h GLU 449 N 0.25 0.82 -0.54 0.04 5.08 0.03 -1.90 114.58 118.35 3n00 h GLU 449 Ca 0.04 -0.21 -0.03 0.00 -1.00 0.00 0.00 59.36 58.15 3n00 h GLU 449 Cb 0.64 -0.10 -0.02 0.00 0.50 0.00 0.00 28.75 29.76 3n00 h GLU 449 CO 0.05 0.81 0.20 0.28 -1.00 0.00 0.00 179.01 179.34 3n00 h VAL 450 N 0.69 1.22 -0.75 3.13 2.07 -0.84 -1.16 116.25 120.61 3n00 h VAL 450 Ca 0.15 -0.72 -0.00 0.00 0.82 0.00 0.00 66.70 66.95 3n00 h VAL 450 Cb 0.38 0.68 -0.04 0.00 -1.52 0.00 0.00 31.29 30.79 3n00 h VAL 450 CO 0.01 0.27 0.45 0.58 0.02 0.00 0.00 177.57 178.90 3n00 h VAL 451 N 0.74 1.21 -0.30 2.57 2.07 -0.99 -0.63 116.25 120.91 3n00 h VAL 451 Ca 0.18 -0.46 -0.06 0.00 0.82 0.00 0.00 66.70 67.18 3n00 h VAL 451 Cb 0.22 0.16 -0.01 0.00 -1.52 0.00 0.00 31.29 30.15 3n00 h VAL 451 CO -0.01 0.22 -0.04 -0.08 0.02 0.00 0.00 177.57 177.68 3n00 h GLU 452 N 1.03 0.56 -0.11 1.57 4.57 -1.14 -2.75 114.58 118.30 3n00 h GLU 452 Ca 0.27 -0.20 0.04 0.00 -1.18 0.00 0.00 59.36 58.30 3n00 h GLU 452 Cb -0.04 -0.04 -0.06 0.00 -0.16 0.00 0.00 28.75 28.45 3n00 h GLU 452 CO -0.05 0.73 -0.32 0.35 -1.18 0.00 0.00 179.01 178.55 3n00 h PHE 453 N 0.34 -0.87 -0.99 0.92 3.57 -1.02 -2.09 116.94 116.81 3n00 h PHE 453 Ca 0.08 0.04 0.22 0.00 3.53 0.00 0.00 57.97 61.84 3n00 h PHE 453 Cb 0.51 0.40 -0.12 0.00 2.79 0.00 0.00 35.95 39.53 3n00 h PHE 453 CO 0.04 -0.40 0.58 0.00 -2.23 0.00 0.00 178.31 176.31 3n00 h ALA 454 N 0.41 1.70 0.00 2.41 0.00 -0.97 0.35 119.26 123.16 3n00 h ALA 454 Ca 0.09 0.11 -0.02 0.00 0.00 0.00 0.00 54.91 55.10 3n00 h ALA 454 Cb 0.54 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.32 3n00 h ALA 454 CO -0.34 -0.20 -0.07 0.87 0.00 0.00 0.00 179.25 179.51 3n00 h LYS 455 N 0.62 0.00 -0.01 0.00 1.57 -1.08 -1.62 116.57 116.05 3n00 h LYS 455 Ca 0.61 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.39 3n00 h LYS 455 Cb 1.09 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.40 3n00 h LYS 455 CO -0.45 0.07 -0.20 0.72 -0.57 0.00 0.00 179.45 179.03 3n00 n HIS 456 N -3.54 0.00 -2.51 -1.35 8.25 0.12 -4.70 115.22 111.50 3n00 n HIS 456 Ca -0.02 0.00 -0.43 0.00 -0.26 0.00 0.00 57.72 57.01 3n00 n HIS 456 Cb 0.20 -0.09 -0.02 0.00 1.12 0.00 0.00 29.99 31.19 3n00 n HIS 456 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 3n00 s ILE 457 N -2.38 4.39 -0.31 1.59 1.01 -0.61 -4.66 121.20 120.24 3n00 s ILE 457 Ca 0.28 1.66 -0.36 0.00 0.00 0.00 0.00 60.65 62.22 3n00 s ILE 457 Cb 0.20 -4.14 -0.13 0.00 0.01 0.00 0.00 42.46 38.40 3n00 s ILE 457 CO 0.47 -0.23 2.05 -2.65 0.00 0.00 0.00 174.94 174.59 3n00 n PRO 458 N 6.65 1.19 0.00 2.79 -0.02 -1.26 -0.95 135.00 143.41 3n00 n PRO 458 Ca 0.13 0.37 0.00 0.00 -2.02 0.00 0.00 63.50 61.99 3n00 n PRO 458 Cb 0.46 -2.38 0.00 0.00 -0.02 0.00 0.00 33.50 31.56 3n00 n PRO 458 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3n00 n GLY 459 N 5.81 1.18 0.21 -1.23 0.00 -1.26 -4.95 105.19 104.95 3n00 n GLY 459 Ca 0.36 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.30 3n00 n GLY 459 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 3n00 h PHE 460 N 0.00 0.64 -0.07 1.61 3.57 -1.31 -2.75 116.94 118.62 3n00 h PHE 460 Ca 0.00 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.49 3n00 h PHE 460 Cb 0.00 -0.21 0.00 0.00 2.79 0.00 0.00 35.95 38.53 3n00 h PHE 460 CO 0.00 0.46 0.00 0.54 -2.23 0.00 0.00 178.31 177.08 3n00 n ARG 461 N -4.70 1.23 0.05 1.11 1.74 -1.26 -1.90 116.66 112.93 3n00 n ARG 461 Ca 0.02 -0.35 0.12 0.00 -0.77 0.00 0.00 57.85 56.86 3n00 n ARG 461 Cb 0.07 -1.24 0.10 0.00 -1.02 0.00 0.00 32.46 30.36 3n00 n ARG 461 CO 0.00 0.00 0.00 -0.25 -1.52 0.00 0.00 177.63 175.86 3n00 n ASP 462 N -0.36 0.66 -4.76 0.55 8.00 -1.04 -4.90 116.55 114.70 3n00 n ASP 462 Ca 0.11 -0.01 -0.33 0.00 0.71 0.00 0.00 54.79 55.27 3n00 n ASP 462 Cb 0.13 0.45 0.06 0.00 -0.02 0.00 0.00 41.12 41.74 3n00 n ASP 462 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 3n00 s LEU 463 N -4.16 3.36 0.82 0.64 1.43 -0.80 -5.00 118.68 114.97 3n00 s LEU 463 Ca 0.05 2.09 -0.12 0.00 -1.03 0.00 0.00 54.13 55.12 3n00 s LEU 463 Cb 0.14 -4.56 0.09 0.00 0.03 0.00 0.00 46.19 41.88 3n00 s LEU 463 CO 0.76 -1.82 1.16 -0.94 0.23 0.00 0.00 176.35 175.74 3n00 s SER 464 N -2.45 3.73 0.22 2.29 1.04 -1.26 -4.71 113.70 112.55 3n00 s SER 464 Ca 0.69 2.17 -0.08 0.00 0.48 0.00 0.00 55.95 59.21 3n00 s SER 464 Cb -0.23 -2.57 0.32 0.00 0.10 0.00 0.00 66.02 63.65 3n00 s SER 464 CO 0.43 -2.57 1.77 1.56 0.98 0.00 0.00 173.24 175.40 3n00 h GLN 465 N -1.13 0.51 -0.44 4.02 1.08 -1.95 -0.40 115.11 116.80 3n00 h GLN 465 Ca -0.45 -0.03 0.02 0.00 -1.45 0.00 0.00 58.65 56.75 3n00 h GLN 465 Cb 1.27 -0.12 -0.03 0.00 -0.05 0.00 0.00 27.48 28.55 3n00 h GLN 465 CO 0.47 0.34 0.24 1.25 -0.95 0.00 0.00 178.83 180.18 3n00 h HIS 466 N 0.53 0.46 -0.07 2.96 2.76 -1.99 -0.53 115.15 119.28 3n00 h HIS 466 Ca 0.34 0.02 -0.02 0.00 -2.20 0.00 0.00 60.37 58.50 3n00 h HIS 466 Cb 0.38 -0.14 -0.00 0.00 1.55 0.00 0.00 27.41 29.20 3n00 h HIS 466 CO -0.13 0.25 -0.04 -0.44 -1.30 0.00 0.00 177.93 176.27 3n00 h ASP 467 N 0.49 0.15 -0.58 3.26 5.19 -1.76 0.76 116.42 123.93 3n00 h ASP 467 Ca 0.18 -0.44 0.08 0.00 -0.62 0.00 0.00 57.03 56.23 3n00 h ASP 467 Cb 0.04 -0.04 -0.10 0.00 0.18 0.00 0.00 39.33 39.40 3n00 h ASP 467 CO -0.10 0.57 -0.46 1.56 -3.12 0.00 0.00 179.24 177.69 3n00 h GLN 468 N -0.26 -0.23 -0.74 3.56 4.20 -1.04 0.28 115.11 120.88 3n00 h GLN 468 Ca 0.01 0.02 -0.05 0.00 0.06 0.00 0.00 58.65 58.69 3n00 h GLN 468 Cb 0.51 0.05 -0.03 0.00 0.30 0.00 0.00 27.48 28.31 3n00 h GLN 468 CO 0.01 -0.15 0.26 0.28 -0.67 0.00 0.00 178.83 178.56 3n00 h VAL 469 N -0.23 1.26 -0.78 -0.54 2.07 -0.99 -2.12 116.25 114.91 3n00 h VAL 469 Ca 0.17 -0.85 -0.04 0.00 0.82 0.00 0.00 66.70 66.79 3n00 h VAL 469 Cb 0.56 0.41 -0.04 0.00 -1.52 0.00 0.00 31.29 30.70 3n00 h VAL 469 CO -0.69 0.34 0.33 0.74 0.02 0.00 0.00 177.57 178.30 3n00 h THR 470 N 1.09 1.26 -0.44 2.57 2.02 -0.25 -1.98 112.91 117.17 3n00 h THR 470 Ca 0.24 -0.79 -0.14 0.00 0.77 0.00 0.00 66.41 66.50 3n00 h THR 470 Cb 0.26 0.31 -0.01 0.00 -1.74 0.00 0.00 68.15 66.96 3n00 h THR 470 CO -0.01 0.32 -0.25 -0.07 0.37 0.00 0.00 175.52 175.88 3n00 h LEU 471 N 1.13 0.99 -0.55 2.58 3.38 -0.53 -1.55 115.31 120.76 3n00 h LEU 471 Ca 0.26 -0.42 -0.10 0.00 0.09 0.00 0.00 57.88 57.72 3n00 h LEU 471 Cb 0.19 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.65 3n00 h LEU 471 CO -0.02 1.19 -0.05 -0.07 0.09 0.00 0.00 178.44 179.57 3n00 h LEU 472 N 0.80 1.00 -0.33 1.67 3.38 -1.22 0.58 115.31 121.19 3n00 h LEU 472 Ca 0.09 -0.33 -0.01 0.00 0.09 0.00 0.00 57.88 57.72 3n00 h LEU 472 Cb 0.84 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 41.30 3n00 h LEU 472 CO 0.07 1.09 0.15 0.11 0.09 0.00 0.00 178.44 179.96 3n00 h LYS 473 N 0.88 0.47 -0.26 1.13 1.57 -1.34 0.17 116.57 119.19 3n00 h LYS 473 Ca 0.15 -0.07 -0.13 0.00 -1.87 0.00 0.00 60.65 58.72 3n00 h LYS 473 Cb 0.61 -0.08 -0.00 0.00 0.08 0.00 0.00 32.23 32.83 3n00 h LYS 473 CO 0.04 0.44 -0.36 0.00 -0.57 0.00 0.00 179.45 179.00 3n00 h ALA 474 N 1.01 0.40 -0.00 3.86 0.00 -1.06 -3.38 119.26 120.08 3n00 h ALA 474 Ca 0.11 -0.43 0.00 0.00 0.00 0.00 0.00 54.91 54.59 3n00 h ALA 474 Cb 0.13 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.84 3n00 h ALA 474 CO -0.01 0.47 -0.64 0.41 0.00 0.00 0.00 179.25 179.48 3n00 n GLY 475 N 0.27 -0.36 0.31 0.00 0.00 0.20 -4.63 105.19 100.97 3n00 n GLY 475 Ca -0.04 -0.46 -0.08 0.00 0.00 0.00 0.00 46.02 45.44 3n00 n GLY 475 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 3n00 h THR 476 N 0.51 1.26 -0.77 2.61 2.02 -1.11 -2.60 112.91 114.84 3n00 h THR 476 Ca 0.00 -1.04 0.03 0.00 0.77 0.00 0.00 66.41 66.17 3n00 h THR 476 Cb 0.43 0.66 -0.05 0.00 -1.74 0.00 0.00 68.15 67.45 3n00 h THR 476 CO 0.00 0.39 0.49 0.15 0.37 0.00 0.00 175.52 176.92 3n00 h PHE 477 N 1.02 0.92 -0.58 3.16 3.57 -1.82 -0.34 116.94 122.87 3n00 h PHE 477 Ca 0.20 0.02 -0.10 0.00 3.53 0.00 0.00 57.97 61.63 3n00 h PHE 477 Cb 0.45 -0.30 -0.02 0.00 2.79 0.00 0.00 35.95 38.86 3n00 h PHE 477 CO 0.03 0.53 -0.02 0.93 -2.23 0.00 0.00 178.31 177.56 3n00 h GLU 478 N 0.96 1.03 -0.56 1.11 5.08 -1.83 -1.36 114.58 119.01 3n00 h GLU 478 Ca 0.30 -0.33 -0.02 0.00 -1.00 0.00 0.00 59.36 58.32 3n00 h GLU 478 Cb 0.00 -0.09 -0.03 0.00 0.50 0.00 0.00 28.75 29.13 3n00 h GLU 478 CO -0.11 1.01 0.28 0.28 -1.00 0.00 0.00 179.01 179.48 3n00 h VAL 479 N 0.93 1.20 -0.78 3.13 2.07 -1.07 -2.37 116.25 119.37 3n00 h VAL 479 Ca 0.16 -0.55 0.03 0.00 0.82 0.00 0.00 66.70 67.17 3n00 h VAL 479 Cb 0.57 0.53 -0.04 0.00 -1.52 0.00 0.00 31.29 30.82 3n00 h VAL 479 CO 0.03 0.22 0.52 -0.07 0.02 0.00 0.00 177.57 178.29 3n00 h LEU 480 N 0.76 0.84 -1.36 2.57 3.38 -0.71 -0.52 115.31 120.27 3n00 h LEU 480 Ca 0.19 -0.01 0.07 0.00 0.09 0.00 0.00 57.88 58.22 3n00 h LEU 480 Cb 0.10 -0.20 -0.05 0.00 0.09 0.00 0.00 40.66 40.60 3n00 h LEU 480 CO -0.03 0.59 0.49 0.24 0.09 0.00 0.00 178.44 179.82 3n00 h MET 481 N 0.98 0.74 -0.06 1.13 2.86 -0.75 0.43 114.93 120.26 3n00 h MET 481 Ca 0.31 -0.04 -0.24 0.00 -2.06 0.00 0.00 59.70 57.66 3n00 h MET 481 Cb 0.01 -0.17 0.02 0.00 0.06 0.00 0.00 31.60 31.52 3n00 h MET 481 CO -0.08 0.49 -0.91 0.28 1.06 0.00 0.00 176.91 177.74 3n00 h VAL 482 N 0.77 1.28 -0.37 -2.22 2.07 -0.76 -2.67 116.25 114.35 3n00 h VAL 482 Ca 0.32 -2.12 -0.05 0.00 0.82 0.00 0.00 66.70 65.67 3n00 h VAL 482 Cb 0.27 2.23 -0.01 0.00 -1.52 0.00 0.00 31.29 32.26 3n00 h VAL 482 CO -0.11 0.66 0.03 0.03 0.02 0.00 0.00 177.57 178.20 3n00 h ARG 483 N 0.43 0.63 -0.75 1.57 2.47 -0.82 -2.69 114.38 115.22 3n00 h ARG 483 Ca -0.10 -0.19 0.05 0.00 -1.26 0.00 0.00 59.98 58.49 3n00 h ARG 483 Cb 1.56 -0.06 -0.06 0.00 -1.65 0.00 0.00 29.97 29.76 3n00 h ARG 483 CO 0.18 0.72 0.45 0.74 0.56 0.00 0.00 179.97 182.63 3n00 h PHE 484 N 0.46 0.84 -1.00 3.04 -1.00 -1.00 -2.74 116.94 115.54 3n00 h PHE 484 Ca 0.11 0.03 0.19 0.00 2.81 0.00 0.00 57.97 61.11 3n00 h PHE 484 Cb 0.42 -0.27 -0.18 0.00 3.61 0.00 0.00 35.95 39.53 3n00 h PHE 484 CO 0.03 0.43 -0.27 0.00 -1.61 0.00 0.00 178.31 176.88 3n00 n ALA 485 N -2.34 0.17 -0.05 2.45 0.00 -1.01 -0.18 120.51 119.56 3n00 n ALA 485 Ca 0.10 1.08 -0.15 0.00 0.00 0.00 0.00 53.44 54.47 3n00 n ALA 485 Cb 0.16 -0.62 -0.07 0.00 0.00 0.00 0.00 19.45 18.92 3n00 n ALA 485 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 3n00 h SER 486 N 0.00 0.62 0.00 0.00 4.64 -1.52 -3.24 113.55 114.04 3n00 h SER 486 Ca 0.46 -0.57 0.00 0.00 -0.47 0.00 0.00 61.79 61.21 3n00 h SER 486 Cb 0.71 -0.18 0.00 0.00 -0.31 0.00 0.00 62.40 62.62 3n00 h SER 486 CO -1.02 1.07 0.00 0.18 -0.87 0.00 0.00 176.83 176.19 3n00 n LEU 487 N -4.29 1.48 0.00 5.97 4.77 0.75 -4.65 117.00 121.02 3n00 n LEU 487 Ca -0.06 -0.74 0.00 0.00 -0.03 0.00 0.00 56.01 55.18 3n00 n LEU 487 Cb 0.52 -0.38 0.00 0.00 -2.33 0.00 0.00 43.42 41.24 3n00 n LEU 487 CO 0.45 0.28 0.00 2.22 -1.33 0.00 0.00 177.39 179.01 3n00 n PHE 488 N 0.36 0.00 -1.72 -1.77 -1.74 -0.76 -4.98 117.46 106.85 3n00 n PHE 488 Ca 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 57.45 56.89 3n00 n PHE 488 Cb 0.28 0.00 0.00 0.00 1.52 0.00 0.00 39.48 41.28 3n00 n PHE 488 CO 0.00 0.00 0.00 0.27 -0.56 0.00 0.00 176.76 176.47 3n00 n ASN 489 N 0.00 0.00 -0.01 5.98 2.04 -1.26 -4.98 115.26 117.02 3n00 n ASN 489 Ca 0.00 0.00 -0.04 0.00 -0.44 0.00 0.00 54.58 54.10 3n00 n ASN 489 Cb 0.00 0.00 -0.01 0.00 -2.53 0.00 0.00 39.78 37.24 3n00 n ASN 489 CO 0.00 0.00 0.00 0.55 -0.44 0.00 0.00 177.26 177.37 3n00 n VAL 490 N 0.00 0.44 0.00 3.53 3.14 -1.26 -4.88 118.33 119.31 3n00 n VAL 490 Ca 0.00 0.02 0.00 0.00 -2.96 0.00 0.00 64.34 61.40 3n00 n VAL 490 Cb 0.00 -1.59 0.00 0.00 -1.06 0.00 0.00 33.84 31.19 3n00 n VAL 490 CO 0.00 0.00 0.00 0.29 -6.46 0.00 0.00 176.83 170.66 3n00 n LYS 491 N -3.29 0.00 0.00 1.45 5.02 -1.26 -5.23 118.16 114.85 3n00 n LYS 491 Ca -0.08 0.31 0.00 0.00 -2.02 0.00 0.00 58.31 56.52 3n00 n LYS 491 Cb 0.47 -1.11 0.00 0.00 -0.02 0.00 0.00 35.03 34.37 3n00 n LYS 491 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 3n00 n ASP 492 N -1.42 0.00 0.00 4.39 10.43 -1.26 -5.25 116.55 123.44 3n00 n ASP 492 Ca 0.00 0.00 0.00 0.00 2.57 0.00 0.00 54.79 57.36 3n00 n ASP 492 Cb 0.00 0.00 0.00 0.00 1.84 0.00 0.00 41.12 42.96 3n00 n ASP 492 CO 0.00 0.00 0.00 1.21 -1.07 0.00 0.00 177.20 177.34 3n00 n GLU 507 N 0.00 0.00 -0.80 -1.24 2.13 -1.26 -4.97 120.64 114.51 3n00 n GLU 507 Ca 0.00 0.00 -0.13 0.00 0.66 0.00 0.00 57.16 57.69 3n00 n GLU 507 Cb 0.00 0.00 0.15 0.00 0.27 0.00 0.00 31.44 31.86 3n00 n GLU 507 CO 0.00 0.00 0.00 1.28 -0.41 0.00 0.00 177.13 178.00 3n00 n LEU 508 N 0.00 5.33 -0.13 4.31 4.77 -1.26 -4.46 117.00 125.56 3n00 n LEU 508 Ca 0.00 -2.80 -0.12 0.00 -0.03 0.00 0.00 56.01 53.06 3n00 n LEU 508 Cb 0.00 -0.71 -0.02 0.00 -2.33 0.00 0.00 43.42 40.36 3n00 n LEU 508 CO 0.00 0.81 0.62 1.23 -1.33 0.00 0.00 177.39 178.72 3n00 h GLY 509 N 2.36 0.97 2.00 -0.72 0.00 -1.91 -3.32 103.07 102.45 3n00 h GLY 509 Ca 0.36 -0.92 0.00 0.00 0.00 0.00 0.00 47.33 46.77 3n00 h GLY 509 CO 0.68 0.83 0.00 0.00 0.00 0.00 0.00 176.54 178.06 3n00 h ALA 510 N 0.80 1.00 0.00 3.60 0.00 -1.97 -1.73 119.26 120.97 3n00 h ALA 510 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.99 3n00 h ALA 510 Cb 0.84 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.63 3n00 h ALA 510 CO 0.07 0.00 -0.21 0.00 0.00 0.00 0.00 179.25 179.11 3n00 n MET 511 N -2.38 0.13 -0.13 0.00 3.85 -1.25 -4.91 117.12 112.42 3n00 n MET 511 Ca -0.01 0.08 0.00 0.00 -1.00 0.00 0.00 57.70 56.77 3n00 n MET 511 Cb 0.10 -1.62 0.00 0.00 -1.05 0.00 0.00 33.22 30.65 3n00 n MET 511 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 3n00 n GLY 512 N 1.42 0.57 0.83 3.17 0.00 -0.65 -4.91 105.19 105.61 3n00 n GLY 512 Ca 0.06 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.12 3n00 n GLY 512 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 173.32 174.47 3n00 n MET 513 N -2.00 2.19 0.01 1.61 3.85 -1.26 -4.48 117.12 117.04 3n00 n MET 513 Ca 0.00 -1.32 -0.00 0.00 -1.00 0.00 0.00 57.70 55.38 3n00 n MET 513 Cb 0.00 -1.50 -0.00 0.00 -1.05 0.00 0.00 33.22 30.67 3n00 n MET 513 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 175.97 176.75 3n00 h GLY 514 N 4.98 -0.03 2.00 3.17 0.00 -1.65 -0.34 103.07 111.19 3n00 h GLY 514 Ca 0.00 0.01 -0.00 0.00 0.00 0.00 0.00 47.33 47.34 3n00 h GLY 514 CO 0.09 -0.01 -0.00 1.29 0.00 0.00 0.00 176.54 177.90 3n00 h ASP 515 N -0.03 0.00 0.00 0.19 2.03 -1.89 -1.28 116.42 115.44 3n00 h ASP 515 Ca -0.00 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.30 3n00 h ASP 515 Cb 0.02 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.52 3n00 h ASP 515 CO 0.01 0.00 0.00 -0.11 -1.03 0.00 0.00 179.24 178.11 3n00 n LEU 516 N -3.12 0.55 0.08 0.15 7.94 -1.19 -1.80 117.00 119.61 3n00 n LEU 516 Ca -0.02 0.53 0.20 0.00 -1.11 0.00 0.00 56.01 55.61 3n00 n LEU 516 Cb 0.12 -0.36 0.74 0.00 0.53 0.00 0.00 43.42 44.45 3n00 n LEU 516 CO 0.22 -0.36 1.18 -0.07 -1.11 0.00 0.00 177.39 177.25 3n00 h LEU 517 N 0.00 0.00 -0.39 -1.96 -0.00 -1.05 0.85 115.31 112.76 3n00 h LEU 517 Ca 0.00 0.00 -0.17 0.00 -0.00 0.00 0.00 57.88 57.71 3n00 h LEU 517 Cb 0.00 0.00 -0.02 0.00 -0.00 0.00 0.00 40.66 40.64 3n00 h LEU 517 CO 0.00 0.00 -0.81 0.28 -0.00 0.00 0.00 178.44 177.91 3n00 h SER 518 N 0.00 0.01 -0.08 -0.43 0.02 -1.37 -0.46 113.55 111.24 3n00 h SER 518 Ca 0.20 -0.01 -0.18 0.00 -0.84 0.00 0.00 61.79 60.96 3n00 h SER 518 Cb 0.97 -0.00 0.01 0.00 0.14 0.00 0.00 62.40 63.52 3n00 h SER 518 CO -0.00 0.81 -0.65 0.00 -1.14 0.00 0.00 176.83 175.85 3n00 h ALA 519 N 1.19 0.19 -0.48 3.77 0.00 0.12 -3.05 119.26 120.99 3n00 h ALA 519 Ca -0.01 -0.56 0.02 0.00 0.00 0.00 0.00 54.91 54.36 3n00 h ALA 519 Cb 1.43 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 19.20 3n00 h ALA 519 CO 0.11 0.48 0.32 0.52 0.00 0.00 0.00 179.25 180.67 3n00 h MET 520 N 0.20 0.58 -0.17 0.00 2.86 0.29 -1.43 114.93 117.27 3n00 h MET 520 Ca -0.06 -0.03 -0.03 0.00 -2.06 0.00 0.00 59.70 57.52 3n00 h MET 520 Cb 1.30 -0.13 -0.01 0.00 0.06 0.00 0.00 31.60 32.83 3n00 h MET 520 CO 0.13 0.38 0.01 0.35 1.06 0.00 0.00 176.91 178.84 3n00 h PHE 521 N 0.59 0.32 -0.53 -0.22 3.57 -1.12 -2.42 116.94 117.14 3n00 h PHE 521 Ca 0.18 -0.05 -0.12 0.00 3.53 0.00 0.00 57.97 61.51 3n00 h PHE 521 Cb 0.01 -0.08 -0.02 0.00 2.79 0.00 0.00 35.95 38.64 3n00 h PHE 521 CO -0.00 0.49 -0.13 -0.44 -2.23 0.00 0.00 178.31 176.01 3n00 h ASP 522 N 0.05 1.01 -0.29 0.41 5.19 -1.35 -1.45 116.42 119.99 3n00 h ASP 522 Ca 0.05 -0.34 0.00 0.00 -0.62 0.00 0.00 57.03 56.12 3n00 h ASP 522 Cb 0.36 -0.28 -0.01 0.00 0.18 0.00 0.00 39.33 39.58 3n00 h ASP 522 CO 0.01 1.13 0.18 0.15 -3.12 0.00 0.00 179.24 177.59 3n00 h PHE 523 N 0.89 0.37 -0.42 4.55 3.57 -1.31 -2.42 116.94 122.16 3n00 h PHE 523 Ca 0.13 0.00 -0.09 0.00 3.53 0.00 0.00 57.97 61.55 3n00 h PHE 523 Cb 0.69 -0.12 -0.02 0.00 2.79 0.00 0.00 35.95 39.29 3n00 h PHE 523 CO 0.05 0.26 -0.10 0.77 -2.23 0.00 0.00 178.31 177.05 3n00 h SER 524 N 0.38 0.73 -0.05 0.41 0.02 -1.23 0.08 113.55 113.87 3n00 h SER 524 Ca 0.10 -0.21 0.04 0.00 -0.84 0.00 0.00 61.79 60.88 3n00 h SER 524 Cb -0.01 -0.20 -0.06 0.00 0.14 0.00 0.00 62.40 62.28 3n00 h SER 524 CO -0.02 0.86 -0.33 -0.33 -1.14 0.00 0.00 176.83 175.87 3n00 h GLU 525 N 0.67 -0.44 -0.64 3.45 3.07 -1.15 0.17 114.58 119.71 3n00 h GLU 525 Ca 0.12 0.03 0.10 0.00 -0.50 0.00 0.00 59.36 59.10 3n00 h GLU 525 Cb 0.57 0.10 -0.07 0.00 -0.84 0.00 0.00 28.75 28.50 3n00 h GLU 525 CO 0.04 -0.29 0.27 0.87 -1.40 0.00 0.00 179.01 178.49 3n00 h LYS 526 N -0.46 0.46 -0.72 2.33 1.57 -0.85 -2.27 116.57 116.62 3n00 h LYS 526 Ca 0.07 -0.03 -0.06 0.00 -1.87 0.00 0.00 60.65 58.76 3n00 h LYS 526 Cb 0.57 -0.10 -0.03 0.00 0.08 0.00 0.00 32.23 32.74 3n00 h LYS 526 CO -0.31 0.30 0.21 1.25 -0.57 0.00 0.00 179.45 180.33 3n00 h LEU 527 N 0.47 1.07 -1.13 2.94 5.85 -0.30 -2.80 115.31 121.41 3n00 h LEU 527 Ca 0.32 -0.22 -0.02 0.00 0.84 0.00 0.00 57.88 58.81 3n00 h LEU 527 Cb 0.38 -0.28 -0.00 0.00 0.37 0.00 0.00 40.66 41.13 3n00 h LEU 527 CO -0.30 1.01 -0.08 0.78 -0.34 0.00 0.00 178.44 179.51 3n00 h ASN 528 N 1.08 0.00 0.01 1.25 4.21 -0.13 -2.82 115.58 119.17 3n00 h ASN 528 Ca 0.23 0.00 -0.05 0.00 1.21 0.00 0.00 56.30 57.69 3n00 h ASN 528 Cb 0.33 0.00 -0.01 0.00 -1.12 0.00 0.00 38.32 37.52 3n00 h ASN 528 CO -0.00 0.08 -0.12 0.77 -1.29 0.00 0.00 177.43 176.87 3n00 h SER 529 N 0.00 0.23 0.39 5.81 4.64 -1.18 -0.99 113.55 122.44 3n00 h SER 529 Ca -0.00 -0.04 -0.02 0.00 -0.47 0.00 0.00 61.79 61.26 3n00 h SER 529 Cb 0.67 -0.06 -0.00 0.00 -0.31 0.00 0.00 62.40 62.69 3n00 h SER 529 CO 0.01 0.37 -0.09 -0.07 -0.87 0.00 0.00 176.83 176.19 3n00 h LEU 530 N 0.23 0.00 -2.19 5.97 3.38 -1.59 -3.47 115.31 117.63 3n00 h LEU 530 Ca 0.05 0.00 -0.44 0.00 0.09 0.00 0.00 57.88 57.58 3n00 h LEU 530 Cb 0.36 0.00 0.04 0.00 0.09 0.00 0.00 40.66 41.14 3n00 h LEU 530 CO 0.02 0.09 -0.88 0.00 0.09 0.00 0.00 178.44 177.76 3n00 n ALA 531 N -2.24 -2.16 -1.78 1.53 0.00 -0.38 -4.91 120.51 110.57 3n00 n ALA 531 Ca -0.02 -0.20 -0.41 0.00 0.00 0.00 0.00 53.44 52.81 3n00 n ALA 531 Cb 0.22 -2.48 -0.01 0.00 0.00 0.00 0.00 19.45 17.18 3n00 n ALA 531 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3n00 s LEU 532 N -6.66 4.35 1.10 0.00 1.43 -1.26 -5.02 118.68 112.62 3n00 s LEU 532 Ca 0.13 2.94 -0.16 0.00 -1.03 0.00 0.00 54.13 56.01 3n00 s LEU 532 Cb -0.04 -3.65 0.24 0.00 0.03 0.00 0.00 46.19 42.76 3n00 s LEU 532 CO 0.84 -0.83 1.11 0.42 0.23 0.00 0.00 176.35 178.13 3n00 s THR 533 N -0.68 1.80 0.20 5.49 -4.23 -1.26 -4.76 115.64 112.20 3n00 s THR 533 Ca 0.56 0.00 -0.05 0.00 -1.18 0.00 0.00 61.69 61.02 3n00 s THR 533 Cb -0.46 -2.52 0.01 0.00 1.34 0.00 0.00 72.50 70.87 3n00 s THR 533 CO 0.55 0.00 1.58 -0.33 -0.54 0.00 0.00 174.62 175.89 3n00 h GLU 534 N -2.22 0.78 -0.50 3.99 4.39 -1.98 -0.52 114.58 118.52 3n00 h GLU 534 Ca -0.49 -0.35 -0.00 0.00 0.34 0.00 0.00 59.36 58.85 3n00 h GLU 534 Cb 1.31 -0.02 -0.02 0.00 -0.10 0.00 0.00 28.75 29.92 3n00 h GLU 534 CO 0.46 0.97 0.31 0.93 -1.16 0.00 0.00 179.01 180.52 3n00 h GLU 535 N 0.67 0.68 -0.15 2.33 5.08 -1.93 0.42 114.58 121.67 3n00 h GLU 535 Ca 0.08 -0.06 -0.01 0.00 -1.00 0.00 0.00 59.36 58.37 3n00 h GLU 535 Cb 0.82 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 29.92 3n00 h GLU 535 CO 0.07 0.48 0.05 0.93 -1.00 0.00 0.00 179.01 179.55 3n00 h GLU 536 N 0.67 0.22 -0.52 2.33 5.08 -1.86 -1.78 114.58 118.73 3n00 h GLU 536 Ca 0.18 -0.04 -0.01 0.00 -1.00 0.00 0.00 59.36 58.49 3n00 h GLU 536 Cb -0.02 -0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.17 3n00 h GLU 536 CO -0.03 0.33 0.28 1.25 -1.00 0.00 0.00 179.01 179.84 3n00 h LEU 537 N 0.07 0.64 -0.65 1.33 5.85 -1.04 0.33 115.31 121.83 3n00 h LEU 537 Ca 0.05 -0.09 0.03 0.00 0.84 0.00 0.00 57.88 58.70 3n00 h LEU 537 Cb 0.20 -0.16 -0.04 0.00 0.37 0.00 0.00 40.66 41.02 3n00 h LEU 537 CO -0.00 0.55 0.40 1.23 -0.34 0.00 0.00 178.44 180.28 3n00 h GLY 538 N 0.69 0.94 1.59 3.75 0.00 -0.79 0.26 103.07 109.49 3n00 h GLY 538 Ca 0.18 -0.31 -0.26 0.00 0.00 0.00 0.00 47.33 46.95 3n00 h GLY 538 CO -0.03 0.26 -1.15 -2.00 0.00 0.00 0.00 176.54 173.62 3n00 h LEU 539 N 0.80 0.48 -0.15 3.11 5.85 -1.10 -2.42 115.31 121.87 3n00 h LEU 539 Ca 0.26 -0.46 0.00 0.00 0.84 0.00 0.00 57.88 58.52 3n00 h LEU 539 Cb 0.02 -0.15 -0.01 0.00 0.37 0.00 0.00 40.66 40.89 3n00 h LEU 539 CO -0.10 1.32 0.10 0.15 -0.34 0.00 0.00 178.44 179.57 3n00 h PHE 540 N 0.13 0.19 -0.73 1.25 3.57 -0.10 -0.96 116.94 120.29 3n00 h PHE 540 Ca -0.12 0.00 0.10 0.00 3.53 0.00 0.00 57.97 61.48 3n00 h PHE 540 Cb 1.85 -0.06 -0.08 0.00 2.79 0.00 0.00 35.95 40.45 3n00 h PHE 540 CO 0.07 0.13 0.36 1.15 -2.23 0.00 0.00 178.31 177.78 3n00 h THR 541 N 0.20 0.82 -0.71 4.41 2.02 -0.34 0.12 112.91 119.42 3n00 h THR 541 Ca 0.05 -0.20 -0.06 0.00 0.77 0.00 0.00 66.41 66.97 3n00 h THR 541 Cb -0.01 0.17 -0.03 0.00 -1.74 0.00 0.00 68.15 66.54 3n00 h THR 541 CO -0.01 0.11 0.22 0.00 0.37 0.00 0.00 175.52 176.21 3n00 h ALA 542 N 1.45 1.04 -0.59 6.16 0.00 -1.26 -2.29 119.26 123.78 3n00 h ALA 542 Ca 0.37 -0.22 -0.02 0.00 0.00 0.00 0.00 54.91 55.04 3n00 h ALA 542 Cb 0.42 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 17.90 3n00 h ALA 542 CO -0.29 0.65 0.29 0.28 0.00 0.00 0.00 179.25 180.17 3n00 h VAL 543 N 1.06 1.21 -0.27 0.00 2.07 0.36 -2.57 116.25 118.12 3n00 h VAL 543 Ca 0.23 -0.58 0.03 0.00 0.82 0.00 0.00 66.70 67.20 3n00 h VAL 543 Cb 0.30 0.51 -0.03 0.00 -1.52 0.00 0.00 31.29 30.54 3n00 h VAL 543 CO -0.01 0.24 0.07 0.58 0.02 0.00 0.00 177.57 178.47 3n00 h VAL 544 N 0.80 0.89 -0.69 2.57 2.07 -0.64 -0.81 116.25 120.44 3n00 h VAL 544 Ca 0.20 -0.06 0.05 0.00 0.82 0.00 0.00 66.70 67.72 3n00 h VAL 544 Cb 0.11 0.71 -0.05 0.00 -1.52 0.00 0.00 31.29 30.54 3n00 h VAL 544 CO -0.03 0.03 0.40 0.25 0.02 0.00 0.00 177.57 178.25 3n00 h LEU 545 N 0.17 0.61 -1.04 2.57 5.85 -1.18 -2.27 115.31 120.03 3n00 h LEU 545 Ca 0.12 0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.86 3n00 h LEU 545 Cb 0.11 -0.10 0.00 0.00 0.37 0.00 0.00 40.66 41.04 3n00 h LEU 545 CO -0.15 0.40 -0.00 1.33 -0.34 0.00 0.00 178.44 179.68 3n00 n VAL 546 N -4.75 0.00 -0.47 1.05 0.24 -0.99 -3.43 118.33 109.98 3n00 n VAL 546 Ca 0.09 -0.27 0.10 0.00 -2.04 0.00 0.00 64.34 62.22 3n00 n VAL 546 Cb 0.15 0.57 0.32 0.00 -1.47 0.00 0.00 33.84 33.42 3n00 n VAL 546 CO 0.00 0.00 0.00 -1.20 -2.14 0.00 0.00 176.83 173.49 3n00 n SER 547 N 0.26 4.21 -4.73 -1.34 7.64 -0.33 -4.72 113.62 114.61 3n00 n SER 547 Ca 0.19 -2.20 -0.31 0.00 1.01 0.00 0.00 58.87 57.55 3n00 n SER 547 Cb 0.37 -0.51 0.12 0.00 -1.01 0.00 0.00 64.21 63.19 3n00 n SER 547 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3n00 s ALA 548 N -1.38 1.93 0.21 -0.43 0.00 -1.18 -4.95 121.76 115.96 3n00 s ALA 548 Ca 0.48 0.41 -0.32 0.00 0.00 0.00 0.00 51.96 52.52 3n00 s ALA 548 Cb 0.28 -3.35 -0.13 0.00 0.00 0.00 0.00 23.12 19.92 3n00 s ALA 548 CO 0.28 -2.18 1.57 -3.47 0.00 0.00 0.00 175.76 171.96 3n00 n ASP 549 N -3.81 3.32 -1.78 0.00 2.03 -1.26 -4.91 116.55 110.13 3n00 n ASP 549 Ca 0.10 1.10 0.07 0.00 0.52 0.00 0.00 54.79 56.58 3n00 n ASP 549 Cb 0.53 -1.48 0.38 0.00 -0.72 0.00 0.00 41.12 39.82 3n00 n ASP 549 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 3n00 n ARG 550 N 3.02 4.55 -1.66 -0.67 1.74 -1.26 -4.86 116.66 117.51 3n00 n ARG 550 Ca 0.14 -2.93 -0.42 0.00 -0.77 0.00 0.00 57.85 53.87 3n00 n ARG 550 Cb 0.32 -2.18 -0.03 0.00 -1.02 0.00 0.00 32.46 29.54 3n00 n ARG 550 CO 0.00 0.00 0.00 -1.13 -1.52 0.00 0.00 177.63 174.98 3n00 n SER 551 N 0.65 4.16 0.00 0.55 3.41 -1.26 -2.40 113.62 118.73 3n00 n SER 551 Ca 0.26 0.91 0.00 0.00 -0.26 0.00 0.00 58.87 59.77 3n00 n SER 551 Cb 1.11 -1.53 0.00 0.00 -0.26 0.00 0.00 64.21 63.53 3n00 n SER 551 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3n00 n GLY 552 N 4.54 1.16 3.71 5.00 0.00 -1.26 -5.06 105.19 113.29 3n00 n GLY 552 Ca 0.20 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.80 3n00 n GLY 552 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 3n00 s MET 553 N -0.68 4.50 0.02 1.61 1.00 -1.01 -4.93 119.30 119.81 3n00 s MET 553 Ca 0.00 1.56 -0.26 0.00 0.00 0.00 0.00 55.69 56.99 3n00 s MET 553 Cb 0.00 -3.42 -0.17 0.00 0.00 0.00 0.00 34.83 31.24 3n00 s MET 553 CO 0.00 -0.15 1.29 0.93 0.00 0.00 0.00 175.02 177.09 3n00 h GLU 554 N 6.83 -0.50 -3.21 2.03 5.08 -1.93 -3.37 114.58 119.51 3n00 h GLU 554 Ca -0.41 0.03 -0.63 0.00 -1.00 0.00 0.00 59.36 57.36 3n00 h GLU 554 Cb 1.21 0.11 -0.41 0.00 0.50 0.00 0.00 28.75 30.16 3n00 h GLU 554 CO 0.78 -0.20 -0.60 1.21 -1.00 0.00 0.00 179.01 179.20 3n00 s ASN 555 N -4.93 4.55 0.51 1.42 2.47 -1.26 -4.95 114.94 112.75 3n00 s ASN 555 Ca -0.15 -3.46 0.17 0.00 0.42 0.00 0.00 52.86 49.84 3n00 s ASN 555 Cb 0.02 -1.62 1.24 0.00 -1.45 0.00 0.00 41.25 39.45 3n00 s ASN 555 CO 0.54 -0.15 2.09 -1.28 -3.72 0.00 0.00 177.10 174.59 3n00 h SER 556 N 5.90 0.07 -0.48 -4.21 0.87 -1.95 -2.45 113.55 111.30 3n00 h SER 556 Ca 0.04 -0.00 -0.05 0.00 -1.23 0.00 0.00 61.79 60.55 3n00 h SER 556 Cb 0.82 -0.02 -0.02 0.00 -0.44 0.00 0.00 62.40 62.74 3n00 h SER 556 CO 0.70 0.05 0.11 0.00 -0.53 0.00 0.00 176.83 177.16 3n00 h ALA 557 N 1.89 1.19 -0.34 6.23 0.00 -1.97 -1.64 119.26 124.63 3n00 h ALA 557 Ca 0.09 -0.21 -0.13 0.00 0.00 0.00 0.00 54.91 54.66 3n00 h ALA 557 Cb 0.26 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 3n00 h ALA 557 CO -0.01 0.55 -0.30 0.66 0.00 0.00 0.00 179.25 180.15 3n00 h SER 558 N 0.80 0.75 -0.67 0.00 4.64 -1.87 -0.58 113.55 116.62 3n00 h SER 558 Ca 0.17 -0.30 -0.06 0.00 -0.47 0.00 0.00 61.79 61.13 3n00 h SER 558 Cb 0.32 -0.21 -0.03 0.00 -0.31 0.00 0.00 62.40 62.17 3n00 h SER 558 CO 0.00 1.00 0.19 0.58 -0.87 0.00 0.00 176.83 177.74 3n00 h VAL 559 N 0.62 1.25 -0.29 0.95 2.07 -1.44 -2.62 116.25 116.80 3n00 h VAL 559 Ca 0.07 -0.91 -0.17 0.00 0.82 0.00 0.00 66.70 66.51 3n00 h VAL 559 Cb 0.82 0.52 -0.00 0.00 -1.52 0.00 0.00 31.29 31.11 3n00 h VAL 559 CO 0.07 0.35 -0.51 -0.08 0.02 0.00 0.00 177.57 177.42 3n00 h GLU 560 N 1.03 0.82 -0.51 1.57 4.81 -0.93 -1.43 114.58 119.93 3n00 h GLU 560 Ca 0.22 -0.50 -0.00 0.00 -0.13 0.00 0.00 59.36 58.95 3n00 h GLU 560 Cb 0.32 0.05 -0.03 0.00 0.63 0.00 0.00 28.75 29.73 3n00 h GLU 560 CO -0.00 1.13 0.30 1.96 -0.73 0.00 0.00 179.01 181.67 3n00 h GLN 561 N 0.63 0.68 -0.22 1.92 4.20 -0.99 -1.24 115.11 120.09 3n00 h GLN 561 Ca 0.02 -0.06 -0.07 0.00 0.06 0.00 0.00 58.65 58.61 3n00 h GLN 561 Cb 1.10 -0.15 -0.01 0.00 0.30 0.00 0.00 27.48 28.73 3n00 h GLN 561 CO 0.11 0.48 -0.14 1.25 -0.67 0.00 0.00 178.83 179.87 3n00 h LEU 562 N 0.69 0.50 -0.43 1.46 5.85 -1.25 -1.32 115.31 120.81 3n00 h LEU 562 Ca 0.18 -0.43 0.07 0.00 0.84 0.00 0.00 57.88 58.54 3n00 h LEU 562 Cb -0.02 -0.14 -0.06 0.00 0.37 0.00 0.00 40.66 40.81 3n00 h LEU 562 CO -0.03 0.82 0.09 -0.61 -0.34 0.00 0.00 178.44 178.37 3n00 h GLN 563 N 0.18 0.22 -0.59 1.25 4.15 -0.89 -1.80 115.11 117.62 3n00 h GLN 563 Ca 0.05 -0.01 -0.09 0.00 0.77 0.00 0.00 58.65 59.36 3n00 h GLN 563 Cb 0.65 -0.05 -0.02 0.00 0.21 0.00 0.00 27.48 28.27 3n00 h GLN 563 CO 0.04 0.14 0.00 0.93 -1.93 0.00 0.00 178.83 178.02 3n00 h GLU 564 N 0.22 1.02 -0.48 1.69 5.08 -1.14 -0.43 114.58 120.54 3n00 h GLU 564 Ca 0.21 -0.31 0.05 0.00 -1.00 0.00 0.00 59.36 58.30 3n00 h GLU 564 Cb 0.25 -0.10 -0.05 0.00 0.50 0.00 0.00 28.75 29.36 3n00 h GLU 564 CO -0.27 1.00 0.22 1.15 -1.00 0.00 0.00 179.01 180.11 3n00 h THR 565 N 0.94 0.91 -0.24 1.13 2.02 -0.90 0.81 112.91 117.57 3n00 h THR 565 Ca 0.17 -0.15 -0.19 0.00 0.77 0.00 0.00 66.41 67.02 3n00 h THR 565 Cb 0.54 0.45 0.00 0.00 -1.74 0.00 0.00 68.15 67.40 3n00 h THR 565 CO 0.03 0.08 -0.59 -0.07 0.37 0.00 0.00 175.52 175.33 3n00 h LEU 566 N 0.43 0.89 -1.20 2.58 3.38 -0.87 -2.33 115.31 118.19 3n00 h LEU 566 Ca 0.22 -0.50 -0.08 0.00 0.09 0.00 0.00 57.88 57.60 3n00 h LEU 566 Cb 0.17 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.65 3n00 h LEU 566 CO -0.18 1.28 -0.40 -0.07 0.09 0.00 0.00 178.44 179.16 3n00 h LEU 567 N 0.60 0.00 -0.23 1.67 3.38 -0.94 -1.09 115.31 118.69 3n00 h LEU 567 Ca 0.00 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.94 3n00 h LEU 567 Cb 1.19 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.93 3n00 h LEU 567 CO 0.13 0.40 0.02 -0.09 0.09 0.00 0.00 178.44 178.98 3n00 h ARG 568 N 0.00 0.39 -0.33 1.13 2.43 -0.53 -2.14 114.38 115.33 3n00 h ARG 568 Ca -0.00 -0.12 -0.02 0.00 -0.81 0.00 0.00 59.98 59.03 3n00 h ARG 568 Cb 0.71 -0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 30.20 3n00 h ARG 568 CO 0.05 0.56 0.11 0.00 -1.51 0.00 0.00 179.97 179.18 3n00 h ALA 569 N 0.82 0.43 -0.78 2.80 0.00 -1.21 -2.01 119.26 119.30 3n00 h ALA 569 Ca 0.07 -0.15 0.05 0.00 0.00 0.00 0.00 54.91 54.88 3n00 h ALA 569 Cb 0.37 -0.13 -0.05 0.00 0.00 0.00 0.00 17.79 17.98 3n00 h ALA 569 CO 0.01 0.06 0.52 1.25 0.00 0.00 0.00 179.25 181.08 3n00 h LEU 570 N 0.38 0.79 -0.13 0.00 5.85 -1.17 0.12 115.31 121.16 3n00 h LEU 570 Ca 0.11 -0.00 -0.08 0.00 0.84 0.00 0.00 57.88 58.74 3n00 h LEU 570 Cb 0.23 -0.18 0.00 0.00 0.37 0.00 0.00 40.66 41.08 3n00 h LEU 570 CO -0.01 0.53 -0.24 -0.09 -0.34 0.00 0.00 178.44 178.30 3n00 h ARG 571 N 0.91 0.40 0.20 1.25 2.43 -1.15 -0.79 114.38 117.63 3n00 h ARG 571 Ca 0.32 -0.25 0.01 0.00 -0.81 0.00 0.00 59.98 59.26 3n00 h ARG 571 Cb 0.13 0.03 -0.04 0.00 -0.42 0.00 0.00 29.97 29.67 3n00 h ARG 571 CO -0.10 0.84 -0.45 0.00 -1.51 0.00 0.00 179.97 178.75 3n00 h ALA 572 N 0.55 -0.86 -0.33 2.80 0.00 -0.93 -1.83 119.26 118.66 3n00 h ALA 572 Ca 0.01 -0.10 0.07 0.00 0.00 0.00 0.00 54.91 54.88 3n00 h ALA 572 Cb 0.82 0.74 -0.07 0.00 0.00 0.00 0.00 17.79 19.28 3n00 h ALA 572 CO 0.05 -1.05 -0.11 1.25 0.00 0.00 0.00 179.25 179.40 3n00 h LEU 573 N -0.74 -0.38 -1.65 0.00 5.85 -0.65 0.06 115.31 117.80 3n00 h LEU 573 Ca -0.00 0.11 -0.03 0.00 0.84 0.00 0.00 57.88 58.80 3n00 h LEU 573 Cb 0.73 0.23 -0.01 0.00 0.37 0.00 0.00 40.66 41.99 3n00 h LEU 573 CO -0.21 -0.14 -0.13 0.58 -0.34 0.00 0.00 178.44 178.20 3n00 h VAL 574 N -0.03 1.12 0.00 1.05 2.07 -1.07 -1.92 116.25 117.47 3n00 h VAL 574 Ca 0.16 -0.53 -0.19 0.00 0.82 0.00 0.00 66.70 66.96 3n00 h VAL 574 Cb 0.28 1.23 -0.03 0.00 -1.52 0.00 0.00 31.29 31.25 3n00 h VAL 574 CO -0.36 0.16 -1.24 -0.07 0.02 0.00 0.00 177.57 176.07 3n00 h LEU 575 N 0.06 0.00 -0.76 2.57 3.38 -0.16 -1.46 115.31 118.95 3n00 h LEU 575 Ca 0.01 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.92 3n00 h LEU 575 Cb 0.26 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 40.98 3n00 h LEU 575 CO 0.02 0.72 0.19 0.50 0.09 0.00 0.00 178.44 179.96 3n00 h LYS 576 N 0.00 1.13 0.02 1.13 3.11 -1.03 -3.09 116.57 117.84 3n00 h LYS 576 Ca -0.14 -0.26 -0.00 0.00 -2.81 0.00 0.00 60.65 57.44 3n00 h LYS 576 Cb 1.67 -0.16 0.00 0.00 -1.00 0.00 0.00 32.23 32.75 3n00 h LYS 576 CO 0.07 0.98 -0.01 -0.91 -2.81 0.00 0.00 179.45 176.77 3n00 h ASN 577 N 1.08 -0.02 -2.41 4.20 2.35 -1.31 -3.41 115.58 116.06 3n00 h ASN 577 Ca 0.23 -0.68 -0.59 0.00 -0.55 0.00 0.00 56.30 54.71 3n00 h ASN 577 Cb 0.34 0.01 -0.39 0.00 0.05 0.00 0.00 38.32 38.33 3n00 h ASN 577 CO -0.00 0.69 -0.89 0.54 -1.65 0.00 0.00 177.43 176.12 3n00 n ARG 578 N -4.76 0.83 0.10 0.81 1.74 -0.55 -5.00 116.66 109.83 3n00 n ARG 578 Ca -0.09 -3.58 0.16 0.00 -0.77 0.00 0.00 57.85 53.58 3n00 n ARG 578 Cb 0.34 -1.74 0.69 0.00 -1.02 0.00 0.00 32.46 30.73 3n00 n ARG 578 CO 0.00 0.00 0.00 -1.35 -1.52 0.00 0.00 177.63 174.76 3n00 h PRO 579 N 5.09 0.00 0.00 5.56 0.11 -1.77 -2.73 132.00 138.26 3n00 h PRO 579 Ca 0.20 0.00 -0.13 0.00 0.11 0.00 0.00 66.00 66.18 3n00 h PRO 579 Cb 0.85 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 31.94 3n00 h PRO 579 CO 0.50 0.00 -0.99 -0.07 -0.21 0.00 0.00 178.00 177.23 3n00 h LEU 580 N 0.00 0.00 -8.05 2.35 3.38 -1.94 -3.39 115.31 107.66 3n00 h LEU 580 Ca 0.16 0.00 -0.66 0.00 0.09 0.00 0.00 57.88 57.48 3n00 h LEU 580 Cb 0.67 0.00 -0.15 0.00 0.09 0.00 0.00 40.66 41.27 3n00 h LEU 580 CO -0.00 0.50 0.97 -0.70 0.09 0.00 0.00 178.44 179.30 3n00 s GLU 581 N -2.98 3.53 0.17 1.13 2.12 -1.03 -4.82 118.70 116.82 3n00 s GLU 581 Ca 0.00 -1.46 0.25 0.00 0.36 0.00 0.00 54.97 54.12 3n00 s GLU 581 Cb 0.08 -4.93 0.58 0.00 0.26 0.00 0.00 34.13 30.12 3n00 s GLU 581 CO 0.78 -1.90 1.55 0.25 -0.54 0.00 0.00 175.26 175.41 3n00 n THR 582 N 5.92 0.49 0.45 -1.70 -2.24 -1.26 -3.13 114.28 112.81 3n00 n THR 582 Ca 0.23 -0.28 0.09 0.00 -2.27 0.00 0.00 64.05 61.81 3n00 n THR 582 Cb 0.49 -0.36 0.24 0.00 -2.10 0.00 0.00 70.33 68.60 3n00 n THR 582 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 3n00 n SER 583 N -2.20 2.68 -0.02 3.42 3.41 -1.26 -4.40 113.62 115.24 3n00 n SER 583 Ca 0.04 -1.97 -0.11 0.00 -0.26 0.00 0.00 58.87 56.57 3n00 n SER 583 Cb 0.44 -0.31 -0.05 0.00 -0.26 0.00 0.00 64.21 64.02 3n00 n SER 583 CO 0.00 0.00 0.00 -0.09 -0.16 0.00 0.00 175.04 174.79 3n00 h ARG 584 N 3.00 0.18 -0.30 4.33 2.43 -1.92 0.28 114.38 122.39 3n00 h ARG 584 Ca 0.00 -0.02 -0.07 0.00 -0.81 0.00 0.00 59.98 59.08 3n00 h ARG 584 Cb 0.68 -0.04 -0.02 0.00 -0.42 0.00 0.00 29.97 30.18 3n00 h ARG 584 CO 0.00 0.16 -0.13 0.35 -1.51 0.00 0.00 179.97 178.85 3n00 h PHE 585 N 0.15 0.56 -0.26 2.20 3.57 -1.83 -2.56 116.94 118.77 3n00 h PHE 585 Ca 0.05 -0.09 -0.00 0.00 3.53 0.00 0.00 57.97 61.46 3n00 h PHE 585 Cb 0.03 -0.15 -0.01 0.00 2.79 0.00 0.00 35.95 38.60 3n00 h PHE 585 CO -0.06 0.63 0.14 1.15 -2.23 0.00 0.00 178.31 177.95 3n00 h THR 586 N 0.48 1.11 -0.77 4.41 2.02 -1.62 -1.29 112.91 117.26 3n00 h THR 586 Ca 0.09 -0.30 0.01 0.00 0.77 0.00 0.00 66.41 66.98 3n00 h THR 586 Cb 0.51 0.85 -0.04 0.00 -1.74 0.00 0.00 68.15 67.73 3n00 h THR 586 CO 0.03 0.11 0.51 0.11 0.37 0.00 0.00 175.52 176.65 3n00 h LYS 587 N 0.31 1.00 -0.12 6.66 1.57 -0.22 -1.72 116.57 124.03 3n00 h LYS 587 Ca 0.09 -0.06 0.00 0.00 -1.87 0.00 0.00 60.65 58.81 3n00 h LYS 587 Cb 0.05 -0.22 -0.01 0.00 0.08 0.00 0.00 32.23 32.13 3n00 h LYS 587 CO -0.02 0.66 0.08 -0.07 -0.57 0.00 0.00 179.45 179.53 3n00 h LEU 588 N 1.03 0.14 -2.38 2.94 3.38 -1.31 -2.05 115.31 117.05 3n00 h LEU 588 Ca 0.29 -0.02 0.02 0.00 0.09 0.00 0.00 57.88 58.26 3n00 h LEU 588 Cb -0.10 -0.04 -0.00 0.00 0.09 0.00 0.00 40.66 40.61 3n00 h LEU 588 CO -0.07 0.12 0.08 -0.07 0.09 0.00 0.00 178.44 178.59 3n00 h LEU 589 N 0.15 0.00 -0.12 1.67 3.38 -0.93 -1.79 115.31 117.68 3n00 h LEU 589 Ca 0.04 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.01 3n00 h LEU 589 Cb -0.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.75 3n00 h LEU 589 CO -0.01 0.00 0.00 0.18 0.09 0.00 0.00 178.44 178.70 3n00 n LEU 590 N -3.81 0.40 0.18 1.67 4.77 -0.67 -2.72 117.00 116.80 3n00 n LEU 590 Ca -0.01 0.55 0.14 0.00 -0.03 0.00 0.00 56.01 56.66 3n00 n LEU 590 Cb 0.17 -0.45 0.50 0.00 -2.33 0.00 0.00 43.42 41.32 3n00 n LEU 590 CO 0.27 -0.19 0.90 0.11 -1.33 0.00 0.00 177.39 177.14 3n00 h LYS 591 N 0.00 0.00 -0.11 3.23 1.79 -1.21 -3.34 116.57 116.93 3n00 h LYS 591 Ca 0.00 0.00 -0.05 0.00 -2.18 0.00 0.00 60.65 58.42 3n00 h LYS 591 Cb 0.52 0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 31.17 3n00 h LYS 591 CO 0.00 0.00 -0.13 -0.07 -1.08 0.00 0.00 179.45 178.17 3n00 h LEU 592 N 0.00 0.29 -0.95 2.94 3.38 -1.66 -1.19 115.31 118.13 3n00 h LEU 592 Ca 0.00 -0.50 0.01 0.00 0.09 0.00 0.00 57.88 57.48 3n00 h LEU 592 Cb 0.53 -0.08 -0.05 0.00 0.09 0.00 0.00 40.66 41.15 3n00 h LEU 592 CO 0.00 0.74 0.63 -0.65 0.09 0.00 0.00 178.44 179.25 3n00 h PRO 593 N -0.14 1.24 -0.49 1.13 0.11 -1.79 -1.24 132.00 130.81 3n00 h PRO 593 Ca 0.01 -0.07 0.07 0.00 0.11 0.00 0.00 66.00 66.11 3n00 h PRO 593 Cb 0.67 -0.28 -0.06 0.00 0.11 0.00 0.00 31.00 31.44 3n00 h PRO 593 CO 0.03 0.82 0.18 -0.44 -0.21 0.00 0.00 178.00 178.38 3n00 h ASP 594 N 1.28 0.19 -0.42 -2.05 3.32 -1.66 -0.75 116.42 116.33 3n00 h ASP 594 Ca 0.35 0.06 -0.09 0.00 0.02 0.00 0.00 57.03 57.37 3n00 h ASP 594 Cb -0.14 0.04 -0.02 0.00 0.22 0.00 0.00 39.33 39.43 3n00 h ASP 594 CO -0.08 0.14 -0.05 -0.07 -1.72 0.00 0.00 179.24 177.46 3n00 h LEU 595 N 0.36 0.82 -1.00 1.55 3.38 -0.75 0.46 115.31 120.13 3n00 h LEU 595 Ca 0.23 -0.23 -0.02 0.00 0.09 0.00 0.00 57.88 57.96 3n00 h LEU 595 Cb 0.24 -0.22 -0.04 0.00 0.09 0.00 0.00 40.66 40.73 3n00 h LEU 595 CO -0.24 0.92 0.42 -0.09 0.09 0.00 0.00 178.44 179.54 3n00 h ARG 596 N 0.77 1.13 0.02 1.13 9.65 -0.69 -0.09 114.38 126.31 3n00 h ARG 596 Ca 0.14 -0.14 -0.00 0.00 -1.10 0.00 0.00 59.98 58.88 3n00 h ARG 596 Cb 0.54 -0.22 0.00 0.00 -1.39 0.00 0.00 29.97 28.90 3n00 h ARG 596 CO 0.03 0.84 -0.01 1.15 2.80 0.00 0.00 179.97 184.78 3n00 h THR 597 N 1.13 1.33 -0.70 0.20 2.02 -0.37 0.17 112.91 116.68 3n00 h THR 597 Ca 0.28 -1.08 0.11 0.00 0.77 0.00 0.00 66.41 66.49 3n00 h THR 597 Cb 0.05 2.05 -0.08 0.00 -1.74 0.00 0.00 68.15 68.44 3n00 h THR 597 CO -0.04 0.28 0.31 -0.07 0.37 0.00 0.00 175.52 176.36 3n00 h LEU 598 N -0.50 0.35 0.32 2.58 3.38 -0.84 -0.83 115.31 119.77 3n00 h LEU 598 Ca -0.00 0.08 -0.01 0.00 0.09 0.00 0.00 57.88 58.04 3n00 h LEU 598 Cb 0.47 0.03 -0.01 0.00 0.09 0.00 0.00 40.66 41.25 3n00 h LEU 598 CO 0.00 0.18 -0.24 -1.13 0.09 0.00 0.00 178.44 177.35 3n00 h ASN 599 N 0.51 -0.61 0.20 -0.43 -1.24 -0.87 -0.29 115.58 112.84 3n00 h ASN 599 Ca 0.36 0.05 -0.02 0.00 0.71 0.00 0.00 56.30 57.40 3n00 h ASN 599 Cb 0.46 0.19 -0.00 0.00 0.73 0.00 0.00 38.32 39.70 3n00 h ASN 599 CO -0.32 -0.36 -0.08 0.78 -1.29 0.00 0.00 177.43 176.16 3n00 h ASN 600 N -0.56 0.00 0.30 1.15 2.35 0.11 -2.42 115.58 116.52 3n00 h ASN 600 Ca -0.03 0.00 -0.33 0.00 -0.55 0.00 0.00 56.30 55.40 3n00 h ASN 600 Cb 0.48 0.00 -0.04 0.00 0.05 0.00 0.00 38.32 38.81 3n00 h ASN 600 CO 0.00 0.08 -1.87 0.23 -1.65 0.00 0.00 177.43 174.21 3n00 n MET 601 N -3.82 0.69 -0.00 0.81 2.81 -0.39 -4.71 117.12 112.51 3n00 n MET 601 Ca -0.02 0.27 0.02 0.00 -1.81 0.00 0.00 57.70 56.16 3n00 n MET 601 Cb 0.18 -1.74 -0.03 0.00 -0.71 0.00 0.00 33.22 30.91 3n00 n MET 601 CO 0.00 0.00 0.00 0.72 1.51 0.00 0.00 175.97 178.20 3n00 n HIS 602 N -3.24 0.00 0.28 2.03 8.25 -0.14 -4.57 115.22 117.83 3n00 n HIS 602 Ca -0.25 0.00 0.13 0.00 -0.26 0.00 0.00 57.72 57.34 3n00 n HIS 602 Cb 1.05 -0.01 0.60 0.00 1.12 0.00 0.00 29.99 32.75 3n00 n HIS 602 CO 0.00 0.00 0.00 0.66 0.64 0.00 0.00 176.34 177.64 3n00 h SER 603 N 0.00 0.00 -0.01 0.41 4.64 -1.60 -0.68 113.55 116.31 3n00 h SER 603 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3n00 h SER 603 Cb 0.13 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.22 3n00 h SER 603 CO 0.00 0.00 -0.01 1.21 -0.87 0.00 0.00 176.83 177.16 3n00 n GLU 604 N -2.37 1.67 -1.68 4.77 4.07 -1.26 -4.93 120.64 120.91 3n00 n GLU 604 Ca 0.00 -0.99 -0.42 0.00 -0.06 0.00 0.00 57.16 55.68 3n00 n GLU 604 Cb 0.14 -1.48 -0.00 0.00 -0.06 0.00 0.00 31.44 30.04 3n00 n GLU 604 CO 0.00 0.00 0.00 1.63 -0.06 0.00 0.00 177.13 178.70 3n00 n LYS 605 N 0.20 1.91 -2.74 5.31 4.76 -0.26 -4.94 118.16 122.39 3n00 n LYS 605 Ca 0.19 0.67 -0.41 0.00 -2.87 0.00 0.00 58.31 55.88 3n00 n LYS 605 Cb 0.37 -2.25 -0.04 0.00 -1.84 0.00 0.00 35.03 31.27 3n00 n LYS 605 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 3n00 s LEU 606 N -0.93 4.46 0.41 -0.35 1.43 -1.26 -5.07 118.68 117.37 3n00 s LEU 606 Ca 0.58 1.73 0.07 0.00 -1.03 0.00 0.00 54.13 55.48 3n00 s LEU 606 Cb -0.57 -3.56 0.01 0.00 0.03 0.00 0.00 46.19 42.10 3n00 s LEU 606 CO 0.60 -0.11 0.56 -0.76 0.23 0.00 0.00 176.35 176.87 3n00 s LEU 607 N 0.27 3.71 -0.04 1.79 1.43 -1.26 -5.00 118.68 119.59 3n00 s LEU 607 Ca 0.48 -0.35 -0.01 0.00 -1.03 0.00 0.00 54.13 53.21 3n00 s LEU 607 Cb -0.22 -2.69 0.03 0.00 0.03 0.00 0.00 46.19 43.34 3n00 s LEU 607 CO 0.29 -0.70 0.08 -0.55 0.23 0.00 0.00 176.35 175.69 3n00 s SER 608 N -4.31 0.02 -0.07 2.29 0.15 -1.26 -5.12 113.70 105.40 3n00 s SER 608 Ca 0.53 0.14 0.00 0.00 0.70 0.00 0.00 55.95 57.32 3n00 s SER 608 Cb -0.10 0.03 0.02 0.00 -1.71 0.00 0.00 66.02 64.26 3n00 s SER 608 CO 0.33 -0.14 -0.06 -0.36 1.20 0.00 0.00 173.24 174.21 3n00 s PHE 609 N 1.14 1.03 -0.09 3.44 0.08 -1.26 -4.48 117.98 117.85 3n00 s PHE 609 Ca -0.09 -0.38 -0.29 0.00 0.12 0.00 0.00 56.93 56.29 3n00 s PHE 609 Cb -0.12 -0.90 -0.06 0.00 -0.57 0.00 0.00 43.02 41.36 3n00 s PHE 609 CO -0.04 -0.31 1.88 0.50 -0.10 0.00 0.00 175.22 177.15 3n00 s ARG 610 N 1.29 3.87 0.00 0.44 3.52 -1.26 -5.19 118.95 121.62 3n00 s ARG 610 Ca -0.04 2.21 0.30 0.00 -0.13 0.00 0.00 55.73 58.06 3n00 s ARG 610 Cb -0.14 -4.14 1.78 0.00 -1.56 0.00 0.00 34.95 30.89 3n00 s ARG 610 CO -0.02 -1.24 2.11 0.28 -0.81 0.00 0.00 175.30 175.62