#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kj7 n THR 343 N 0.00 0.75 -3.80 -0.72 5.66 -1.26 -4.63 114.28 110.29 3kj7 n THR 343 Ca 0.00 -0.12 -0.24 0.00 -3.05 0.00 0.00 64.05 60.64 3kj7 n THR 343 Cb 0.00 -0.99 -0.17 0.00 -1.55 0.00 0.00 70.33 67.62 3kj7 n THR 343 CO 0.00 0.00 0.00 -0.13 -3.05 0.00 0.00 175.07 171.89 3kj7 s ARG 344 N 0.72 0.81 -0.20 1.09 0.52 -1.26 -4.81 118.95 115.82 3kj7 s ARG 344 Ca 0.00 0.01 -0.12 0.00 -0.52 0.00 0.00 55.73 55.10 3kj7 s ARG 344 Cb 0.00 -1.14 -0.05 0.00 0.52 0.00 0.00 34.95 34.28 3kj7 s ARG 344 CO 0.00 -0.31 0.23 0.08 0.02 0.00 0.00 175.30 175.32 3kj7 s VAL 345 N 1.91 5.34 -0.43 3.52 1.01 -0.81 -4.99 120.40 125.94 3kj7 s VAL 345 Ca 0.05 0.38 -0.12 0.00 0.00 0.00 0.00 61.98 62.28 3kj7 s VAL 345 Cb -0.12 -3.57 0.07 0.00 0.00 0.00 0.00 36.38 32.76 3kj7 s VAL 345 CO -0.06 0.38 0.31 -0.69 0.00 0.00 0.00 175.10 175.04 3kj7 s VAL 346 N 0.68 4.74 0.46 2.92 1.01 -1.26 0.63 120.40 129.59 3kj7 s VAL 346 Ca 0.12 -1.15 -0.18 0.00 0.00 0.00 0.00 61.98 60.77 3kj7 s VAL 346 Cb -0.13 -3.82 -0.09 0.00 0.00 0.00 0.00 36.38 32.34 3kj7 s VAL 346 CO 0.03 -0.49 0.94 0.86 0.00 0.00 0.00 175.10 176.44 3kj7 s TRP 347 N 1.54 3.40 -0.24 5.22 -0.11 0.07 0.60 118.94 129.42 3kj7 s TRP 347 Ca 0.03 1.48 -0.04 0.00 1.22 0.00 0.00 56.10 58.80 3kj7 s TRP 347 Cb -0.23 -2.78 0.00 0.00 -1.50 0.00 0.00 33.47 28.97 3kj7 s TRP 347 CO 0.05 -0.23 -0.03 0.00 -4.62 0.00 0.00 176.95 172.12 3kj7 s ALA 349 N 1.44 3.77 -0.45 0.00 0.00 0.61 -4.77 121.76 122.37 3kj7 s ALA 349 Ca 0.04 -0.54 -0.16 0.00 0.00 0.00 0.00 51.96 51.30 3kj7 s ALA 349 Cb -0.15 -2.14 0.05 0.00 0.00 0.00 0.00 23.12 20.87 3kj7 s ALA 349 CO -0.03 0.45 0.41 0.08 0.00 0.00 0.00 175.76 176.67 3kj7 s VAL 350 N -0.62 5.17 0.00 0.00 1.01 -1.26 -1.38 120.40 123.32 3kj7 s VAL 350 Ca 0.16 -0.74 0.00 0.00 0.00 0.00 0.00 61.98 61.40 3kj7 s VAL 350 Cb -0.13 -4.08 0.00 0.00 0.00 0.00 0.00 36.38 32.17 3kj7 s VAL 350 CO 0.05 -0.50 0.00 0.61 0.00 0.00 0.00 175.10 175.25 3kj7 n GLY 351 N 5.17 -1.14 0.21 4.51 0.00 0.04 -4.24 105.19 109.74 3kj7 n GLY 351 Ca -0.10 -1.62 0.06 0.00 0.00 0.00 0.00 46.02 44.36 3kj7 n GLY 351 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3kj7 h PRO 352 N 0.00 0.00 -0.10 1.61 0.13 -1.93 -2.44 132.00 129.28 3kj7 h PRO 352 Ca 0.00 0.00 -0.09 0.00 -0.87 0.00 0.00 66.00 65.04 3kj7 h PRO 352 Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 3kj7 h PRO 352 CO 0.00 0.30 -0.30 0.93 -0.23 0.00 0.00 178.00 178.70 3kj7 h GLU 353 N 0.00 0.38 -0.73 0.86 5.08 -1.98 -1.43 114.58 116.76 3kj7 h GLU 353 Ca -0.00 -0.27 -0.01 0.00 -1.00 0.00 0.00 59.36 58.07 3kj7 h GLU 353 Cb 0.63 0.05 -0.04 0.00 0.50 0.00 0.00 28.75 29.89 3kj7 h GLU 353 CO 0.04 0.89 0.40 0.93 -1.00 0.00 0.00 179.01 180.27 3kj7 h GLU 354 N -0.07 1.01 -0.51 2.33 5.08 -1.73 -2.55 114.58 118.16 3kj7 h GLU 354 Ca -0.01 -0.11 0.03 0.00 -1.00 0.00 0.00 59.36 58.28 3kj7 h GLU 354 Cb 0.92 -0.20 -0.04 0.00 0.50 0.00 0.00 28.75 29.93 3kj7 h GLU 354 CO 0.06 0.74 0.28 0.37 -1.00 0.00 0.00 179.01 179.47 3kj7 h GLN 355 N 1.02 0.54 -0.20 2.33 4.15 -1.27 0.11 115.11 121.79 3kj7 h GLN 355 Ca 0.26 -0.03 0.01 0.00 0.77 0.00 0.00 58.65 59.66 3kj7 h GLN 355 Cb 0.02 -0.12 -0.02 0.00 0.21 0.00 0.00 27.48 27.58 3kj7 h GLN 355 CO -0.04 0.35 0.10 -0.22 -1.93 0.00 0.00 178.83 177.09 3kj7 h LYS 356 N 0.55 0.21 -0.46 1.69 3.64 -0.93 -0.07 116.57 121.20 3kj7 h LYS 356 Ca 0.21 -0.01 -0.00 0.00 -1.27 0.00 0.00 60.65 59.58 3kj7 h LYS 356 Cb 0.08 -0.05 -0.02 0.00 -0.41 0.00 0.00 32.23 31.83 3kj7 h LYS 356 CO -0.12 0.14 0.29 -0.22 -2.27 0.00 0.00 179.45 177.26 3kj7 h LYS 357 N 0.21 0.62 -0.63 1.90 3.64 -1.26 -2.16 116.57 118.88 3kj7 h LYS 357 Ca 0.08 -0.05 0.03 0.00 -1.27 0.00 0.00 60.65 59.45 3kj7 h LYS 357 Cb 0.02 -0.13 -0.04 0.00 -0.41 0.00 0.00 32.23 31.66 3kj7 h LYS 357 CO -0.05 0.44 0.38 0.00 -2.27 0.00 0.00 179.45 177.95 3kj7 h GLN 359 N 0.74 1.23 -0.34 0.00 4.20 -0.68 0.14 115.11 120.40 3kj7 h GLN 359 Ca 0.26 -0.07 -0.02 0.00 0.06 0.00 0.00 58.65 58.87 3kj7 h GLN 359 Cb 0.06 -0.28 -0.01 0.00 0.30 0.00 0.00 27.48 27.55 3kj7 h GLN 359 CO -0.12 0.81 0.12 1.96 -0.67 0.00 0.00 178.83 180.93 3kj7 h GLN 360 N 1.27 0.51 -0.59 1.46 4.20 -0.87 -1.63 115.11 119.46 3kj7 h GLN 360 Ca 0.37 -0.10 0.04 0.00 0.06 0.00 0.00 58.65 59.02 3kj7 h GLN 360 Cb -0.07 -0.08 -0.04 0.00 0.30 0.00 0.00 27.48 27.59 3kj7 h GLN 360 CO -0.10 0.53 0.35 2.35 -0.67 0.00 0.00 178.83 181.28 3kj7 h TRP 361 N 0.39 0.64 -0.23 2.96 7.01 -0.81 -2.10 115.95 123.82 3kj7 h TRP 361 Ca 0.11 0.02 0.02 0.00 2.11 0.00 0.00 58.89 61.15 3kj7 h TRP 361 Cb 0.22 -0.20 -0.02 0.00 -2.10 0.00 0.00 29.16 27.05 3kj7 h TRP 361 CO 0.00 0.35 0.11 1.03 -2.79 0.00 0.00 178.44 177.14 3kj7 h SER 362 N 0.67 0.16 -0.15 2.65 0.87 -0.47 0.27 113.55 117.55 3kj7 h SER 362 Ca 0.25 0.01 0.02 0.00 -1.23 0.00 0.00 61.79 60.84 3kj7 h SER 362 Cb 0.07 -0.02 -0.02 0.00 -0.44 0.00 0.00 62.40 61.99 3kj7 h SER 362 CO -0.12 0.12 0.01 -0.61 -0.53 0.00 0.00 176.83 175.70 3kj7 h GLN 363 N 0.23 0.06 0.00 2.24 4.15 -1.17 -2.05 115.11 118.57 3kj7 h GLN 363 Ca 0.10 -0.00 -0.08 0.00 0.77 0.00 0.00 58.65 59.44 3kj7 h GLN 363 Cb 0.03 -0.01 -0.01 0.00 0.21 0.00 0.00 27.48 27.70 3kj7 h GLN 363 CO -0.07 0.04 -0.36 1.96 -1.93 0.00 0.00 178.83 178.47 3kj7 h GLN 364 N 0.07 0.00 -0.00 1.69 1.08 -1.16 -2.63 115.11 114.15 3kj7 h GLN 364 Ca 0.07 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.27 3kj7 h GLN 364 Cb 0.07 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.50 3kj7 h GLN 364 CO -0.10 0.36 -0.00 -1.13 -0.95 0.00 0.00 178.83 177.01 3kj7 n SER 365 N -3.82 0.17 -2.87 1.46 3.41 0.06 -4.90 113.62 107.14 3kj7 n SER 365 Ca -0.01 -1.04 -0.20 0.00 -0.26 0.00 0.00 58.87 57.36 3kj7 n SER 365 Cb 0.44 -0.00 0.05 0.00 -0.26 0.00 0.00 64.21 64.43 3kj7 n SER 365 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3kj7 n GLY 366 N 1.03 -0.32 2.56 5.00 0.00 -0.99 -2.73 105.19 109.74 3kj7 n GLY 366 Ca 0.23 0.06 -0.00 0.00 0.00 0.00 0.00 46.02 46.30 3kj7 n GLY 366 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3kj7 n GLN 367 N -3.95 -1.13 0.25 1.61 1.13 -0.79 -4.85 117.38 109.64 3kj7 n GLN 367 Ca -0.04 0.30 0.09 0.00 -1.94 0.00 0.00 57.00 55.41 3kj7 n GLN 367 Cb 0.58 -4.17 0.63 0.00 0.11 0.00 0.00 30.24 27.39 3kj7 n GLN 367 CO 0.00 0.00 0.00 -0.91 -1.44 0.00 0.00 177.06 174.71 3kj7 h ASN 368 N 0.00 0.00 -4.06 1.08 2.35 -1.76 -3.40 115.58 109.79 3kj7 h ASN 368 Ca -0.01 0.00 -0.69 0.00 -0.55 0.00 0.00 56.30 55.05 3kj7 h ASN 368 Cb 0.58 0.00 -0.31 0.00 0.05 0.00 0.00 38.32 38.63 3kj7 h ASN 368 CO 0.01 0.15 -0.89 -0.69 -1.65 0.00 0.00 177.43 174.36 3kj7 s VAL 369 N -4.44 2.05 0.39 2.81 1.01 -1.26 -1.93 120.40 119.03 3kj7 s VAL 369 Ca -0.04 -1.07 0.04 0.00 0.00 0.00 0.00 61.98 60.91 3kj7 s VAL 369 Cb 0.15 -1.73 -0.03 0.00 0.00 0.00 0.00 36.38 34.76 3kj7 s VAL 369 CO 0.64 0.57 0.11 0.42 0.00 0.00 0.00 175.10 176.84 3kj7 s THR 370 N -0.19 0.73 -0.06 3.92 -4.23 0.20 -4.35 115.64 111.66 3kj7 s THR 370 Ca -0.03 -2.00 0.03 0.00 -1.18 0.00 0.00 61.69 58.52 3kj7 s THR 370 Cb -0.13 -2.43 0.00 0.00 1.34 0.00 0.00 72.50 71.28 3kj7 s THR 370 CO 0.03 0.00 -0.16 0.00 -0.54 0.00 0.00 174.62 173.95 3kj7 s ALA 372 N 0.35 2.77 0.02 0.00 0.00 0.55 -4.93 121.76 120.52 3kj7 s ALA 372 Ca -0.11 -1.33 0.03 0.00 0.00 0.00 0.00 51.96 50.55 3kj7 s ALA 372 Cb -0.14 -0.71 -0.01 0.00 0.00 0.00 0.00 23.12 22.25 3kj7 s ALA 372 CO 0.04 0.60 -0.09 0.99 0.00 0.00 0.00 175.76 177.30 3kj7 s THR 373 N -1.19 0.71 0.15 0.00 2.01 -1.26 -0.28 115.64 115.78 3kj7 s THR 373 Ca 0.19 -0.71 -0.01 0.00 0.31 0.00 0.00 61.69 61.48 3kj7 s THR 373 Cb -0.11 -0.66 -0.04 0.00 0.01 0.00 0.00 72.50 71.70 3kj7 s THR 373 CO 0.11 -0.03 0.06 0.00 -0.69 0.00 0.00 174.62 174.08 3kj7 s ALA 374 N -0.69 1.02 0.09 7.40 0.00 -0.48 -4.94 121.76 124.17 3kj7 s ALA 374 Ca -0.01 -1.55 0.12 0.00 0.00 0.00 0.00 51.96 50.52 3kj7 s ALA 374 Cb -0.06 0.94 0.15 0.00 0.00 0.00 0.00 23.12 24.14 3kj7 s ALA 374 CO 0.00 -0.49 1.48 0.77 0.00 0.00 0.00 175.76 177.53 3kj7 h SER 375 N 2.78 0.00 -4.72 0.00 0.02 -1.95 0.14 113.55 109.82 3kj7 h SER 375 Ca -0.36 0.00 -0.23 0.00 -0.84 0.00 0.00 61.79 60.37 3kj7 h SER 375 Cb 1.21 0.00 -0.15 0.00 0.14 0.00 0.00 62.40 63.60 3kj7 h SER 375 CO 0.58 0.67 -0.68 0.42 -1.14 0.00 0.00 176.83 176.69 3kj7 s THR 376 N -3.13 0.59 0.16 -2.27 -4.23 -1.26 -4.41 115.64 101.09 3kj7 s THR 376 Ca 0.01 -1.93 -0.15 0.00 -1.18 0.00 0.00 61.69 58.44 3kj7 s THR 376 Cb 0.10 -1.83 0.04 0.00 1.34 0.00 0.00 72.50 72.16 3kj7 s THR 376 CO 0.76 -0.73 1.82 0.74 -0.54 0.00 0.00 174.62 176.67 3kj7 h THR 377 N 2.90 1.13 -0.89 3.99 2.02 -1.90 -1.71 112.91 118.45 3kj7 h THR 377 Ca -0.36 -0.26 0.13 0.00 0.77 0.00 0.00 66.41 66.69 3kj7 h THR 377 Cb 1.18 0.45 -0.09 0.00 -1.74 0.00 0.00 68.15 67.95 3kj7 h THR 377 CO 0.64 0.13 0.50 0.44 0.37 0.00 0.00 175.52 177.60 3kj7 h ASP 378 N 0.64 0.68 -0.63 4.18 3.32 -1.96 -0.31 116.42 122.35 3kj7 h ASP 378 Ca 0.17 0.07 -0.09 0.00 0.02 0.00 0.00 57.03 57.21 3kj7 h ASP 378 Cb -0.05 -0.06 -0.02 0.00 0.22 0.00 0.00 39.33 39.42 3kj7 h ASP 378 CO -0.04 0.34 0.06 0.44 -1.72 0.00 0.00 179.24 178.32 3kj7 h ASP 379 N 0.77 1.04 -0.61 6.45 3.32 -1.83 -2.02 116.42 123.55 3kj7 h ASP 379 Ca 0.46 -0.27 0.00 0.00 0.02 0.00 0.00 57.03 57.24 3kj7 h ASP 379 Cb 0.54 -0.28 -0.03 0.00 0.22 0.00 0.00 39.33 39.78 3kj7 h ASP 379 CO -0.30 1.06 0.39 0.00 -1.72 0.00 0.00 179.24 178.66 3kj7 h ILE 381 N 0.82 0.99 -0.38 0.00 2.04 -0.87 -1.29 117.51 118.82 3kj7 h ILE 381 Ca 0.22 -0.23 0.02 0.00 1.00 0.00 0.00 64.86 65.87 3kj7 h ILE 381 Cb -0.07 0.27 -0.03 0.00 -0.74 0.00 0.00 36.82 36.24 3kj7 h ILE 381 CO -0.05 0.12 0.22 0.58 0.00 0.00 0.00 178.15 179.03 3kj7 h VAL 382 N 0.67 1.04 -0.62 1.67 2.07 -1.01 0.11 116.25 120.16 3kj7 h VAL 382 Ca 0.27 -0.15 0.07 0.00 0.82 0.00 0.00 66.70 67.71 3kj7 h VAL 382 Cb 0.14 0.55 -0.06 0.00 -1.52 0.00 0.00 31.29 30.39 3kj7 h VAL 382 CO -0.16 0.08 0.30 -0.07 0.02 0.00 0.00 177.57 177.74 3kj7 h LEU 383 N 0.45 0.39 -0.30 2.57 3.38 -0.72 0.54 115.31 121.63 3kj7 h LEU 383 Ca 0.15 0.05 -0.00 0.00 0.09 0.00 0.00 57.88 58.17 3kj7 h LEU 383 Cb 0.01 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 40.73 3kj7 h LEU 383 CO -0.07 0.25 0.18 0.58 0.09 0.00 0.00 178.44 179.46 3kj7 h VAL 384 N 0.54 1.11 -0.93 1.22 2.07 -0.70 0.78 116.25 120.34 3kj7 h VAL 384 Ca 0.30 -0.25 0.07 0.00 0.82 0.00 0.00 66.70 67.63 3kj7 h VAL 384 Cb 0.28 0.74 -0.06 0.00 -1.52 0.00 0.00 31.29 30.73 3kj7 h VAL 384 CO -0.23 0.10 0.60 -0.07 0.02 0.00 0.00 177.57 177.99 3kj7 h LEU 385 N 0.38 0.94 -0.37 2.57 3.38 0.10 -0.71 115.31 121.59 3kj7 h LEU 385 Ca 0.11 0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.08 3kj7 h LEU 385 Cb 0.02 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 40.57 3kj7 h LEU 385 CO -0.02 0.60 0.00 0.29 0.09 0.00 0.00 178.44 179.40 3kj7 n LYS 386 N -4.49 0.20 -0.81 1.13 5.02 0.10 -4.90 118.16 114.40 3kj7 n LYS 386 Ca 0.14 0.32 0.00 0.00 -2.02 0.00 0.00 58.31 56.75 3kj7 n LYS 386 Cb 0.20 -1.81 0.00 0.00 -0.02 0.00 0.00 35.03 33.40 3kj7 n LYS 386 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3kj7 n GLY 387 N 0.55 0.52 0.20 0.72 0.00 -0.27 -4.94 105.19 101.96 3kj7 n GLY 387 Ca 0.04 -0.72 0.11 0.00 0.00 0.00 0.00 46.02 45.45 3kj7 n GLY 387 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3kj7 n GLU 388 N -2.81 0.54 -4.09 1.61 1.02 0.20 -4.86 120.64 112.26 3kj7 n GLU 388 Ca 0.00 -0.41 -0.09 0.00 -0.02 0.00 0.00 57.16 56.64 3kj7 n GLU 388 Cb 0.00 -1.49 -0.09 0.00 -0.02 0.00 0.00 31.44 29.84 3kj7 n GLU 388 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3kj7 s ALA 389 N -2.74 0.57 -0.23 0.62 0.00 -1.08 -4.89 121.76 114.02 3kj7 s ALA 389 Ca 0.15 -1.27 -0.01 0.00 0.00 0.00 0.00 51.96 50.83 3kj7 s ALA 389 Cb 0.18 0.79 -0.19 0.00 0.00 0.00 0.00 23.12 23.89 3kj7 s ALA 389 CO 0.67 -0.51 -0.10 -0.25 0.00 0.00 0.00 175.76 175.57 3kj7 n ASP 390 N -0.10 2.01 -3.48 0.00 8.00 0.20 -4.19 116.55 118.99 3kj7 n ASP 390 Ca -0.07 -0.03 -0.10 0.00 0.71 0.00 0.00 54.79 55.30 3kj7 n ASP 390 Cb 0.63 -0.54 -0.02 0.00 -0.02 0.00 0.00 41.12 41.17 3kj7 n ASP 390 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3kj7 s ALA 391 N -2.53 -1.70 0.17 2.24 0.00 -1.08 -4.08 121.76 114.79 3kj7 s ALA 391 Ca -0.32 0.71 -0.23 0.00 0.00 0.00 0.00 51.96 52.12 3kj7 s ALA 391 Cb 0.09 0.65 0.06 0.00 0.00 0.00 0.00 23.12 23.92 3kj7 s ALA 391 CO 0.63 -0.75 0.64 -0.48 0.00 0.00 0.00 175.76 175.81 3kj7 s LEU 392 N -2.63 -0.51 -0.09 0.00 2.34 -1.18 -1.37 118.68 115.24 3kj7 s LEU 392 Ca 0.04 -0.09 -0.15 0.00 0.06 0.00 0.00 54.13 53.99 3kj7 s LEU 392 Cb -0.01 2.57 -0.05 0.00 -0.56 0.00 0.00 46.19 48.14 3kj7 s LEU 392 CO -0.10 -1.00 0.36 0.21 -1.06 0.00 0.00 176.35 174.76 3kj7 s ASN 393 N -2.76 6.62 -0.01 1.48 2.47 -1.26 -1.82 114.94 119.66 3kj7 s ASN 393 Ca 0.03 0.73 0.02 0.00 0.42 0.00 0.00 52.86 54.06 3kj7 s ASN 393 Cb -0.02 -2.22 -0.00 0.00 -1.45 0.00 0.00 41.25 37.56 3kj7 s ASN 393 CO -0.10 0.18 -0.06 -0.76 -3.72 0.00 0.00 177.10 172.65 3kj7 s LEU 394 N -0.16 1.97 0.77 3.21 1.43 0.30 -4.91 118.68 121.29 3kj7 s LEU 394 Ca 0.21 -0.11 -0.15 0.00 -1.03 0.00 0.00 54.13 53.05 3kj7 s LEU 394 Cb -0.15 -0.32 0.03 0.00 0.03 0.00 0.00 46.19 45.79 3kj7 s LEU 394 CO 0.09 0.07 0.98 -0.67 0.23 0.00 0.00 176.35 177.05 3kj7 n ASP 395 N 3.00 0.38 -0.06 2.29 2.03 -1.26 -1.41 116.55 121.52 3kj7 n ASP 395 Ca -0.14 0.61 0.13 0.00 0.52 0.00 0.00 54.79 55.91 3kj7 n ASP 395 Cb 0.57 -1.42 0.53 0.00 -0.72 0.00 0.00 41.12 40.09 3kj7 n ASP 395 CO 0.00 0.00 0.00 1.23 -1.92 0.00 0.00 177.20 176.51 3kj7 h GLY 396 N -0.59 0.48 0.97 0.27 0.00 -1.84 -0.73 103.07 101.64 3kj7 h GLY 396 Ca -0.47 -0.14 -0.03 0.00 0.00 0.00 0.00 47.33 46.69 3kj7 h GLY 396 CO 0.45 0.08 0.19 -1.33 0.00 0.00 0.00 176.54 175.94 3kj7 h GLY 397 N 0.34 0.84 1.51 4.60 0.00 -1.89 -1.49 103.07 106.99 3kj7 h GLY 397 Ca 0.26 -0.47 -0.13 0.00 0.00 0.00 0.00 47.33 46.99 3kj7 h GLY 397 CO -0.06 0.44 -0.40 -0.97 0.00 0.00 0.00 176.54 175.55 3kj7 h TYR 398 N 0.69 0.64 -0.89 5.60 0.05 -1.45 -2.90 116.97 118.71 3kj7 h TYR 398 Ca 0.17 -0.18 0.04 0.00 0.05 0.00 0.00 58.73 58.81 3kj7 h TYR 398 Cb 0.23 -0.14 -0.05 0.00 1.01 0.00 0.00 36.73 37.78 3kj7 h TYR 398 CO 0.01 0.85 0.58 0.82 -1.05 0.00 0.00 178.16 179.37 3kj7 h ILE 399 N 0.44 1.14 0.01 -2.88 2.04 -0.69 -0.03 117.51 117.55 3kj7 h ILE 399 Ca 0.04 -0.38 0.01 0.00 1.00 0.00 0.00 64.86 65.53 3kj7 h ILE 399 Cb 0.89 -0.05 -0.01 0.00 -0.74 0.00 0.00 36.82 36.90 3kj7 h ILE 399 CO 0.08 0.20 -0.06 0.22 0.00 0.00 0.00 178.15 178.58 3kj7 h TYR 400 N 1.09 -0.15 -0.12 1.37 3.20 -1.12 0.38 116.97 121.62 3kj7 h TYR 400 Ca 0.36 0.00 0.03 0.00 3.14 0.00 0.00 58.73 62.26 3kj7 h TYR 400 Cb 0.04 0.07 -0.03 0.00 1.54 0.00 0.00 36.73 38.35 3kj7 h TYR 400 CO -0.00 -0.10 -0.08 1.15 -1.64 0.00 0.00 178.16 177.49 3kj7 h THR 401 N -0.12 0.75 -0.84 1.81 2.02 -1.25 -1.81 112.91 113.48 3kj7 h THR 401 Ca 0.02 0.00 -0.02 0.00 0.77 0.00 0.00 66.41 67.18 3kj7 h THR 401 Cb 0.14 0.75 -0.04 0.00 -1.74 0.00 0.00 68.15 67.26 3kj7 h THR 401 CO -0.05 0.00 0.44 0.00 0.37 0.00 0.00 175.52 176.28 3kj7 h ALA 402 N 1.01 1.07 -0.12 6.16 0.00 -0.83 -3.09 119.26 123.47 3kj7 h ALA 402 Ca 0.07 -0.14 -0.15 0.00 0.00 0.00 0.00 54.91 54.69 3kj7 h ALA 402 Cb 0.20 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 3kj7 h ALA 402 CO -0.17 0.60 -0.59 0.78 0.00 0.00 0.00 179.25 179.87 3kj7 h GLY 403 N 1.17 0.42 2.00 0.00 0.00 -0.04 -1.70 103.07 104.92 3kj7 h GLY 403 Ca 0.29 -0.50 -0.01 0.00 0.00 0.00 0.00 47.33 47.10 3kj7 h GLY 403 CO -0.04 0.45 -0.07 0.50 0.00 0.00 0.00 176.54 177.38 3kj7 h LYS 404 N 0.29 0.00 -0.36 4.80 1.79 -1.27 -2.09 116.57 119.73 3kj7 h LYS 404 Ca -0.00 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 3kj7 h LYS 404 Cb 1.11 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.76 3kj7 h LYS 404 CO 0.10 0.07 0.00 0.00 -1.08 0.00 0.00 179.45 178.54 3kj7 n GLY 406 N 1.37 0.33 3.80 0.00 0.00 -0.78 -5.05 105.19 104.85 3kj7 n GLY 406 Ca 0.18 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.86 3kj7 n GLY 406 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3kj7 s LEU 407 N 0.00 3.93 0.08 0.99 1.43 -0.72 -4.59 118.68 119.81 3kj7 s LEU 407 Ca 0.00 1.90 0.10 0.00 -1.03 0.00 0.00 54.13 55.10 3kj7 s LEU 407 Cb 0.00 -4.48 -0.03 0.00 0.03 0.00 0.00 46.19 41.71 3kj7 s LEU 407 CO 0.00 -0.64 -0.26 0.68 0.23 0.00 0.00 176.35 176.37 3kj7 s VAL 408 N -1.95 2.26 0.43 -1.59 -7.23 0.19 -4.02 120.40 108.49 3kj7 s VAL 408 Ca 0.64 -1.54 -0.25 0.00 -1.81 0.00 0.00 61.98 59.02 3kj7 s VAL 408 Cb -0.16 -1.94 -0.08 0.00 0.56 0.00 0.00 36.38 34.76 3kj7 s VAL 408 CO 0.20 0.24 1.26 -2.16 -0.31 0.00 0.00 175.10 174.33 3kj7 s PRO 409 N -1.64 3.85 0.07 4.82 0.04 -1.26 -2.00 135.00 138.87 3kj7 s PRO 409 Ca 0.13 2.05 0.00 0.00 0.04 0.00 0.00 61.00 63.22 3kj7 s PRO 409 Cb -0.10 -2.62 0.00 0.00 0.04 0.00 0.00 34.50 31.82 3kj7 s PRO 409 CO 0.04 -0.56 0.00 0.28 0.04 0.00 0.00 177.00 176.80 3kj7 n VAL 410 N -0.13 0.76 -3.87 -0.36 0.31 0.97 -4.92 118.33 111.09 3kj7 n VAL 410 Ca 0.05 0.25 -0.11 0.00 -0.01 0.00 0.00 64.34 64.52 3kj7 n VAL 410 Cb 0.45 -1.53 -0.09 0.00 -0.91 0.00 0.00 33.84 31.76 3kj7 n VAL 410 CO 0.00 0.00 0.00 -0.76 -1.32 0.00 0.00 176.83 174.75 3kj7 s LEU 411 N -6.62 1.51 0.05 7.52 1.43 -1.25 -4.49 118.68 116.83 3kj7 s LEU 411 Ca 0.00 -0.28 0.06 0.00 -1.03 0.00 0.00 54.13 52.89 3kj7 s LEU 411 Cb 0.00 0.76 -0.03 0.00 0.03 0.00 0.00 46.19 46.95 3kj7 s LEU 411 CO 0.00 -0.44 -0.15 0.00 0.23 0.00 0.00 176.35 175.99 3kj7 s ALA 412 N -1.84 2.73 0.21 4.21 0.00 -0.55 -0.41 121.76 126.12 3kj7 s ALA 412 Ca -0.11 -1.18 -0.32 0.00 0.00 0.00 0.00 51.96 50.35 3kj7 s ALA 412 Cb -0.05 -0.83 -0.14 0.00 0.00 0.00 0.00 23.12 22.10 3kj7 s ALA 412 CO -0.00 0.59 1.47 0.39 0.00 0.00 0.00 175.76 178.21 3kj7 n GLU 413 N 1.39 2.08 -3.95 0.00 1.02 -0.13 0.25 120.64 121.30 3kj7 n GLU 413 Ca -0.16 0.74 -0.29 0.00 -0.02 0.00 0.00 57.16 57.43 3kj7 n GLU 413 Cb 0.52 -2.44 -0.16 0.00 -0.02 0.00 0.00 31.44 29.34 3kj7 n GLU 413 CO 0.00 0.00 0.00 1.21 1.18 0.00 0.00 177.13 179.52 3kj7 s ASN 414 N 0.52 3.02 0.79 1.62 3.04 0.01 -4.79 114.94 119.15 3kj7 s ASN 414 Ca 0.72 -0.72 -0.04 0.00 0.04 0.00 0.00 52.86 52.86 3kj7 s ASN 414 Cb -0.66 -1.07 0.15 0.00 -1.54 0.00 0.00 41.25 38.13 3kj7 s ASN 414 CO 0.45 -0.15 1.08 0.00 -3.04 0.00 0.00 177.10 175.45 3kj7 s ARG 415 N 1.52 1.37 0.52 0.43 1.70 -1.26 -0.63 118.95 122.60 3kj7 s ARG 415 Ca 0.01 -0.98 -0.20 0.00 -0.47 0.00 0.00 55.73 54.08 3kj7 s ARG 415 Cb -0.15 -2.21 -0.06 0.00 -0.57 0.00 0.00 34.95 31.95 3kj7 s ARG 415 CO -0.08 -1.72 1.14 0.15 -1.08 0.00 0.00 175.30 173.70 3kj7 s LYS 416 N -5.34 3.48 0.00 3.89 1.02 -1.26 -4.76 119.74 116.77 3kj7 s LYS 416 Ca 0.69 1.65 0.00 0.00 0.02 0.00 0.00 55.97 58.32 3kj7 s LYS 416 Cb -0.05 -2.12 0.00 0.00 -0.52 0.00 0.00 37.83 35.15 3kj7 s LYS 416 CO 0.47 -0.75 0.00 -1.13 -0.92 0.00 0.00 175.35 173.02 3kj7 n SER 417 N -1.07 0.00 0.00 2.83 3.41 -1.26 -5.08 113.62 112.46 3kj7 n SER 417 Ca 0.10 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.71 3kj7 n SER 417 Cb 0.50 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.45 3kj7 n SER 417 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 3kj7 n SER 418 N 0.00 0.00 -4.55 4.04 3.41 -1.26 -5.04 113.62 110.22 3kj7 n SER 418 Ca 0.00 -1.00 -0.24 0.00 -0.26 0.00 0.00 58.87 57.37 3kj7 n SER 418 Cb 0.00 0.00 -0.09 0.00 -0.26 0.00 0.00 64.21 63.86 3kj7 n SER 418 CO 0.00 0.00 0.00 -0.75 -0.16 0.00 0.00 175.04 174.13 3kj7 s LYS 419 N 0.00 1.90 -1.29 4.33 2.20 -1.26 -4.70 119.74 120.92 3kj7 s LYS 419 Ca 0.00 -1.73 -0.04 0.00 -0.36 0.00 0.00 55.97 53.84 3kj7 s LYS 419 Cb 0.00 -1.86 0.03 0.00 -1.51 0.00 0.00 37.83 34.48 3kj7 s LYS 419 CO 0.00 0.27 0.29 0.72 -0.36 0.00 0.00 175.35 176.26 3kj7 n HIS 420 N -0.77 -1.62 0.24 4.03 8.25 -1.26 -4.87 115.22 119.22 3kj7 n HIS 420 Ca -0.05 0.26 0.12 0.00 -0.26 0.00 0.00 57.72 57.79 3kj7 n HIS 420 Cb 0.61 -3.26 0.61 0.00 1.12 0.00 0.00 29.99 29.07 3kj7 n HIS 420 CO 0.00 0.00 0.00 0.66 0.64 0.00 0.00 176.34 177.64 3kj7 h SER 421 N -0.60 0.00 0.32 0.41 4.64 -1.97 -2.61 113.55 113.74 3kj7 h SER 421 Ca -0.40 0.00 -0.33 0.00 -0.47 0.00 0.00 61.79 60.59 3kj7 h SER 421 Cb 1.28 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 63.38 3kj7 h SER 421 CO 0.47 0.00 -1.62 0.77 -0.87 0.00 0.00 176.83 175.59 3kj7 h SER 422 N 0.00 0.55 -4.07 4.97 4.64 -1.99 -3.47 113.55 114.18 3kj7 h SER 422 Ca 0.00 -0.76 -0.53 0.00 -0.47 0.00 0.00 61.79 60.03 3kj7 h SER 422 Cb 0.11 -0.18 0.12 0.00 -0.31 0.00 0.00 62.40 62.14 3kj7 h SER 422 CO 0.00 1.63 0.52 -0.76 -0.87 0.00 0.00 176.83 177.35 3kj7 s LEU 423 N -7.20 3.77 0.58 5.97 1.43 -0.99 -4.99 118.68 117.24 3kj7 s LEU 423 Ca -0.12 2.51 -0.20 0.00 -1.03 0.00 0.00 54.13 55.29 3kj7 s LEU 423 Cb 0.06 -4.45 -0.04 0.00 0.03 0.00 0.00 46.19 41.79 3kj7 s LEU 423 CO 0.87 -1.52 1.26 -0.62 0.23 0.00 0.00 176.35 176.57 3kj7 s ASP 424 N -1.35 5.19 0.29 2.29 2.15 -1.26 -4.74 116.67 119.24 3kj7 s ASP 424 Ca 0.74 2.53 0.03 0.00 0.43 0.00 0.00 52.55 56.28 3kj7 s ASP 424 Cb -0.34 -2.61 0.67 0.00 -0.30 0.00 0.00 42.92 40.34 3kj7 s ASP 424 CO 0.38 -1.60 1.75 0.00 -0.17 0.00 0.00 175.17 175.53 3kj7 h VAL 426 N 0.63 0.81 -0.01 0.00 2.07 -1.91 -2.76 116.25 115.07 3kj7 h VAL 426 Ca 0.54 -0.74 0.00 0.00 0.82 0.00 0.00 66.70 67.32 3kj7 h VAL 426 Cb 0.86 1.44 0.00 0.00 -1.52 0.00 0.00 31.29 32.07 3kj7 h VAL 426 CO -0.41 0.19 -0.28 0.18 0.02 0.00 0.00 177.57 177.26 3kj7 n LEU 427 N -3.84 1.69 -4.72 2.57 4.77 -0.36 -0.80 117.00 116.31 3kj7 n LEU 427 Ca -0.02 -0.80 -0.42 0.00 -0.03 0.00 0.00 56.01 54.75 3kj7 n LEU 427 Cb 0.29 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.34 3kj7 n LEU 427 CO 0.33 0.32 0.78 -0.60 -1.33 0.00 0.00 177.39 176.90 3kj7 s ARG 428 N -1.78 4.54 0.56 3.23 3.52 0.52 -4.89 118.95 124.65 3kj7 s ARG 428 Ca 0.14 1.64 -0.21 0.00 -0.13 0.00 0.00 55.73 57.16 3kj7 s ARG 428 Cb 0.13 -3.36 -0.04 0.00 -1.56 0.00 0.00 34.95 30.12 3kj7 s ARG 428 CO 0.37 -0.06 1.33 -2.14 -0.81 0.00 0.00 175.30 173.99 3kj7 s PRO 429 N 0.50 3.05 0.48 5.12 0.02 -1.26 -4.88 135.00 138.03 3kj7 s PRO 429 Ca 0.53 2.16 -0.17 0.00 0.02 0.00 0.00 61.00 63.54 3kj7 s PRO 429 Cb -0.27 -2.17 -0.09 0.00 0.02 0.00 0.00 34.50 31.99 3kj7 s PRO 429 CO 0.31 -1.23 0.95 0.95 -0.33 0.00 0.00 177.00 177.64 3kj7 s THR 430 N -1.34 4.53 -0.02 0.99 -4.23 -1.26 -5.00 115.64 109.31 3kj7 s THR 430 Ca 0.73 1.22 0.10 0.00 -1.18 0.00 0.00 61.69 62.57 3kj7 s THR 430 Cb -0.39 -3.69 -0.15 0.00 1.34 0.00 0.00 72.50 69.61 3kj7 s THR 430 CO 0.45 -0.57 0.21 -0.62 -0.54 0.00 0.00 174.62 173.55 3kj7 n GLU 431 N -1.30 0.37 0.00 3.99 1.02 -1.26 -5.08 120.64 118.38 3kj7 n GLU 431 Ca 0.06 -0.09 0.00 0.00 -0.02 0.00 0.00 57.16 57.11 3kj7 n GLU 431 Cb 0.54 -1.24 0.00 0.00 -0.02 0.00 0.00 31.44 30.72 3kj7 n GLU 431 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3kj7 n GLY 432 N 1.95 -0.92 3.74 0.62 0.00 -1.26 -4.96 105.19 104.37 3kj7 n GLY 432 Ca -0.02 -1.58 -0.23 0.00 0.00 0.00 0.00 46.02 44.19 3kj7 n GLY 432 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 3kj7 s TYR 433 N -3.05 2.79 -0.42 1.61 -0.85 -0.56 -4.85 117.35 112.02 3kj7 s TYR 433 Ca 0.00 -0.30 -0.17 0.00 -0.52 0.00 0.00 57.07 56.08 3kj7 s TYR 433 Cb 0.00 -1.54 0.02 0.00 0.38 0.00 0.00 41.96 40.83 3kj7 s TYR 433 CO 0.00 0.40 0.40 -0.51 -1.52 0.00 0.00 175.55 174.32 3kj7 s LEU 434 N -3.83 4.94 -0.02 -3.49 1.43 -1.26 0.18 118.68 116.63 3kj7 s LEU 434 Ca 0.36 -0.74 -0.30 0.00 -1.03 0.00 0.00 54.13 52.42 3kj7 s LEU 434 Cb -0.05 -2.32 -0.05 0.00 0.03 0.00 0.00 46.19 43.80 3kj7 s LEU 434 CO 0.23 -0.55 1.33 0.00 0.23 0.00 0.00 176.35 177.59 3kj7 s ALA 435 N 2.01 3.55 0.18 4.21 0.00 -0.34 -0.92 121.76 130.45 3kj7 s ALA 435 Ca 0.10 0.79 0.06 0.00 0.00 0.00 0.00 51.96 52.91 3kj7 s ALA 435 Cb -0.18 -3.57 -0.05 0.00 0.00 0.00 0.00 23.12 19.33 3kj7 s ALA 435 CO 0.13 -0.87 -0.12 0.14 0.00 0.00 0.00 175.76 175.04 3kj7 s VAL 436 N 2.36 1.45 -0.19 0.00 -7.23 -0.18 0.19 120.40 116.80 3kj7 s VAL 436 Ca 0.61 -2.14 -0.04 0.00 -1.81 0.00 0.00 61.98 58.61 3kj7 s VAL 436 Cb -0.29 -1.96 -0.02 0.00 0.56 0.00 0.00 36.38 34.67 3kj7 s VAL 436 CO 0.25 -0.66 -0.04 0.00 -0.31 0.00 0.00 175.10 174.34 3kj7 s ALA 437 N -3.15 2.90 -0.04 1.32 0.00 -1.26 -2.41 121.76 119.11 3kj7 s ALA 437 Ca 0.20 -0.99 0.06 0.00 0.00 0.00 0.00 51.96 51.23 3kj7 s ALA 437 Cb 0.01 -1.62 -0.02 0.00 0.00 0.00 0.00 23.12 21.49 3kj7 s ALA 437 CO 0.04 -0.10 -0.23 0.08 0.00 0.00 0.00 175.76 175.55 3kj7 s VAL 438 N 0.91 2.28 0.25 0.00 1.01 -0.27 -0.85 120.40 123.74 3kj7 s VAL 438 Ca -0.00 -1.01 0.01 0.00 0.00 0.00 0.00 61.98 60.98 3kj7 s VAL 438 Cb -0.15 -1.82 -0.05 0.00 0.00 0.00 0.00 36.38 34.36 3kj7 s VAL 438 CO 0.01 0.58 0.11 0.68 0.00 0.00 0.00 175.10 176.48 3kj7 s VAL 439 N -0.50 0.46 0.25 2.92 -7.23 -0.14 -1.08 120.40 115.08 3kj7 s VAL 439 Ca 0.06 -2.00 -0.30 0.00 -1.81 0.00 0.00 61.98 57.94 3kj7 s VAL 439 Cb -0.11 -2.61 -0.09 0.00 0.56 0.00 0.00 36.38 34.13 3kj7 s VAL 439 CO 0.01 0.00 1.12 -0.54 -0.31 0.00 0.00 175.10 175.37 3kj7 s LYS 440 N -4.04 4.61 0.25 4.82 -0.14 -1.26 -1.14 119.74 122.84 3kj7 s LYS 440 Ca 0.38 1.81 -0.04 0.00 -1.36 0.00 0.00 55.97 56.76 3kj7 s LYS 440 Cb 0.07 -3.21 0.45 0.00 -1.68 0.00 0.00 37.83 33.47 3kj7 s LYS 440 CO 0.14 0.14 1.76 -0.22 -0.76 0.00 0.00 175.35 176.41 3kj7 h LYS 441 N 4.23 0.55 0.00 1.68 3.64 -0.72 -2.19 116.57 123.77 3kj7 h LYS 441 Ca -0.46 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 58.89 3kj7 h LYS 441 Cb 1.21 -0.12 0.00 0.00 -0.41 0.00 0.00 32.23 32.91 3kj7 h LYS 441 CO 0.69 0.37 0.00 0.00 -2.27 0.00 0.00 179.45 178.23 3kj7 h ALA 442 N 1.52 1.00 -0.45 5.00 0.00 -1.93 -3.29 119.26 121.10 3kj7 h ALA 442 Ca 0.41 0.00 -0.71 0.00 0.00 0.00 0.00 54.91 54.61 3kj7 h ALA 442 Cb 0.55 0.00 -0.08 0.00 0.00 0.00 0.00 17.79 18.27 3kj7 h ALA 442 CO -0.34 0.00 2.64 -1.71 0.00 0.00 0.00 179.25 179.83 3kj7 n ASN 443 N -3.00 4.40 -4.77 0.00 2.85 -0.82 -4.98 115.26 108.93 3kj7 n ASN 443 Ca -0.01 -2.91 -0.39 0.00 -0.11 0.00 0.00 54.58 51.17 3kj7 n ASN 443 Cb 0.21 -1.65 -0.03 0.00 1.24 0.00 0.00 39.78 39.55 3kj7 n ASN 443 CO 0.00 0.00 0.00 -1.61 -2.11 0.00 0.00 177.26 173.54 3kj7 s GLU 444 N 2.90 4.31 0.00 1.20 2.02 -1.24 -3.23 118.70 124.66 3kj7 s GLU 444 Ca 0.47 1.76 0.00 0.00 0.02 0.00 0.00 54.97 57.23 3kj7 s GLU 444 Cb 0.10 -2.85 0.00 0.00 0.10 0.00 0.00 34.13 31.48 3kj7 s GLU 444 CO -0.03 -0.07 0.00 0.41 0.02 0.00 0.00 175.26 175.59 3kj7 n GLY 445 N 0.77 1.13 3.69 -1.39 0.00 -1.26 -5.01 105.19 103.13 3kj7 n GLY 445 Ca 0.02 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.62 3kj7 n GLY 445 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3kj7 s LEU 446 N 0.00 4.28 0.26 0.99 2.96 -1.20 -4.91 118.68 121.06 3kj7 s LEU 446 Ca 0.00 1.55 0.02 0.00 -0.22 0.00 0.00 54.13 55.47 3kj7 s LEU 446 Cb 0.00 -3.54 -0.04 0.00 0.50 0.00 0.00 46.19 43.11 3kj7 s LEU 446 CO 0.00 -0.38 0.13 0.42 -1.32 0.00 0.00 176.35 175.20 3kj7 s THR 447 N 1.70 0.33 0.33 3.68 -4.23 -1.26 -4.95 115.64 111.25 3kj7 s THR 447 Ca 0.49 -2.00 0.13 0.00 -1.18 0.00 0.00 61.69 59.12 3kj7 s THR 447 Cb -0.19 -2.56 0.32 0.00 1.34 0.00 0.00 72.50 71.42 3kj7 s THR 447 CO 0.21 0.00 1.69 -0.25 -0.54 0.00 0.00 174.62 175.73 3kj7 h TRP 448 N 2.38 0.96 -0.00 3.99 2.91 -1.83 -0.66 115.95 123.70 3kj7 h TRP 448 Ca -0.36 0.04 0.00 0.00 1.13 0.00 0.00 58.89 59.70 3kj7 h TRP 448 Cb 1.25 -0.26 0.00 0.00 -0.51 0.00 0.00 29.16 29.63 3kj7 h TRP 448 CO 0.66 -0.07 -0.01 0.09 -1.03 0.00 0.00 178.44 178.09 3kj7 n ASN 449 N -4.97 0.05 -0.23 2.65 3.02 -1.26 -3.50 115.26 111.03 3kj7 n ASN 449 Ca 0.30 -0.55 0.09 0.00 -0.03 0.00 0.00 54.58 54.38 3kj7 n ASN 449 Cb 0.88 -0.15 0.14 0.00 -0.61 0.00 0.00 39.78 40.05 3kj7 n ASN 449 CO 0.00 0.00 0.00 -1.54 -2.62 0.00 0.00 177.26 173.10 3kj7 n SER 450 N -1.13 2.06 0.08 6.41 3.41 -0.26 -4.79 113.62 119.42 3kj7 n SER 450 Ca 0.18 -3.18 -0.01 0.00 -0.26 0.00 0.00 58.87 55.60 3kj7 n SER 450 Cb 0.19 -0.44 0.26 0.00 -0.26 0.00 0.00 64.21 63.97 3kj7 n SER 450 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 3kj7 h LEU 451 N 0.22 0.29 -9.36 1.04 3.38 -1.58 -3.44 115.31 105.85 3kj7 h LEU 451 Ca -0.00 -0.10 -0.64 0.00 0.09 0.00 0.00 57.88 57.23 3kj7 h LEU 451 Cb 1.04 -0.08 0.09 0.00 0.09 0.00 0.00 40.66 41.80 3kj7 h LEU 451 CO 0.00 0.59 0.22 1.17 0.09 0.00 0.00 178.44 180.51 3kj7 n LYS 452 N -4.11 1.19 -1.14 1.13 4.81 -1.26 -1.10 118.16 117.68 3kj7 n LYS 452 Ca -0.01 0.42 -0.05 0.00 -0.87 0.00 0.00 58.31 57.80 3kj7 n LYS 452 Cb 0.41 -1.88 -0.02 0.00 0.02 0.00 0.00 35.03 33.56 3kj7 n LYS 452 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 3kj7 n ASP 453 N 1.82 -5.04 -3.74 3.14 10.43 0.35 -4.95 116.55 118.57 3kj7 n ASP 453 Ca 0.14 0.12 -0.16 0.00 2.57 0.00 0.00 54.79 57.46 3kj7 n ASP 453 Cb 0.27 -2.96 0.08 0.00 1.84 0.00 0.00 41.12 40.34 3kj7 n ASP 453 CO 0.00 0.00 0.00 0.29 -1.07 0.00 0.00 177.20 176.42 3kj7 n LYS 454 N -0.93 0.10 -4.11 -1.24 4.76 -0.26 -3.89 118.16 112.60 3kj7 n LYS 454 Ca -0.05 -1.86 -0.35 0.00 -2.87 0.00 0.00 58.31 53.19 3kj7 n LYS 454 Cb 0.40 -0.46 -0.12 0.00 -1.84 0.00 0.00 35.03 33.01 3kj7 n LYS 454 CO 0.00 0.00 0.00 0.15 -1.37 0.00 0.00 177.40 176.18 3kj7 s LYS 455 N -4.26 3.70 0.16 1.97 1.02 -1.26 -1.10 119.74 119.96 3kj7 s LYS 455 Ca 0.46 -0.49 0.10 0.00 0.02 0.00 0.00 55.97 56.06 3kj7 s LYS 455 Cb -0.03 -3.09 -0.04 0.00 -0.52 0.00 0.00 37.83 34.15 3kj7 s LYS 455 CO 0.30 0.09 -0.21 -1.54 -0.92 0.00 0.00 175.35 173.07 3kj7 s SER 456 N 0.80 3.62 -0.12 2.83 1.04 -0.54 0.98 113.70 122.32 3kj7 s SER 456 Ca 0.01 -0.73 0.01 0.00 0.48 0.00 0.00 55.95 55.72 3kj7 s SER 456 Cb -0.14 -0.37 0.02 0.00 0.10 0.00 0.00 66.02 65.62 3kj7 s SER 456 CO 0.02 0.14 -0.15 0.00 0.98 0.00 0.00 173.24 174.23 3kj7 s HIS 458 N 1.11 1.72 0.11 0.00 3.76 -0.39 -0.76 115.29 120.84 3kj7 s HIS 458 Ca -0.04 -0.37 -0.25 0.00 -0.15 0.00 0.00 55.06 54.25 3kj7 s HIS 458 Cb -0.14 -1.03 -0.09 0.00 1.11 0.00 0.00 32.58 32.43 3kj7 s HIS 458 CO -0.04 0.08 1.67 1.79 -0.85 0.00 0.00 174.74 177.39 3kj7 h THR 459 N 4.38 0.58 -1.38 1.30 1.35 -1.74 -3.41 112.91 113.99 3kj7 h THR 459 Ca -0.42 0.00 0.22 0.00 -0.55 0.00 0.00 66.41 65.66 3kj7 h THR 459 Cb 1.16 0.58 -0.22 0.00 -1.73 0.00 0.00 68.15 67.95 3kj7 h THR 459 CO 0.44 0.00 0.80 0.00 -0.25 0.00 0.00 175.52 176.51 3kj7 s ALA 460 N -6.11 -2.06 0.34 6.62 0.00 -1.26 -1.28 121.76 118.00 3kj7 s ALA 460 Ca -0.15 1.67 -0.27 0.00 0.00 0.00 0.00 51.96 53.21 3kj7 s ALA 460 Cb 0.08 -0.59 -0.13 0.00 0.00 0.00 0.00 23.12 22.48 3kj7 s ALA 460 CO 0.66 -0.45 1.10 0.28 0.00 0.00 0.00 175.76 177.35 3kj7 n VAL 461 N 0.21 2.10 -0.29 0.00 0.31 0.06 -2.78 118.33 117.94 3kj7 n VAL 461 Ca -0.02 -0.50 0.00 0.00 -0.01 0.00 0.00 64.34 63.81 3kj7 n VAL 461 Cb 0.58 -1.23 0.00 0.00 -0.91 0.00 0.00 33.84 32.29 3kj7 n VAL 461 CO 0.00 0.00 0.00 0.47 -1.32 0.00 0.00 176.83 175.98 3kj7 n ASP 462 N 0.90 0.00 -4.88 4.52 8.00 -1.26 -4.96 116.55 118.87 3kj7 n ASP 462 Ca 0.08 0.00 -0.30 0.00 0.71 0.00 0.00 54.79 55.28 3kj7 n ASP 462 Cb 0.35 0.00 -0.01 0.00 -0.02 0.00 0.00 41.12 41.44 3kj7 n ASP 462 CO 0.00 0.00 0.00 -0.13 -0.39 0.00 0.00 177.20 176.68 3kj7 s ARG 463 N -0.01 3.69 0.00 -1.24 0.52 -1.12 -3.80 118.95 116.99 3kj7 s ARG 463 Ca 0.00 0.51 -0.02 0.00 -0.52 0.00 0.00 55.73 55.69 3kj7 s ARG 463 Cb 0.00 -2.29 -0.01 0.00 0.52 0.00 0.00 34.95 33.17 3kj7 s ARG 463 CO 0.00 -0.23 0.83 1.15 0.02 0.00 0.00 175.30 177.07 3kj7 h THR 464 N 0.51 0.00 -0.05 0.02 2.02 -1.93 0.19 112.91 113.67 3kj7 h THR 464 Ca -0.46 -0.02 -0.19 0.00 0.77 0.00 0.00 66.41 66.51 3kj7 h THR 464 Cb 1.19 0.00 -0.01 0.00 -1.74 0.00 0.00 68.15 67.60 3kj7 h THR 464 CO 0.62 0.00 -0.77 0.00 0.37 0.00 0.00 175.52 175.74 3kj7 h ALA 465 N -1.94 0.58 0.00 6.16 0.00 -1.90 -1.33 119.26 120.83 3kj7 h ALA 465 Ca -0.01 -0.64 -0.05 0.00 0.00 0.00 0.00 54.91 54.22 3kj7 h ALA 465 Cb 0.07 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 3kj7 h ALA 465 CO 0.02 0.79 -0.23 0.78 0.00 0.00 0.00 179.25 180.61 3kj7 h GLY 466 N 1.40 0.00 0.00 0.00 0.00 -1.67 -3.39 103.07 99.41 3kj7 h GLY 466 Ca -0.04 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.29 3kj7 h GLY 466 CO 0.13 0.00 0.00 1.87 0.00 0.00 0.00 176.54 178.54 3kj7 n TRP 467 N -3.24 -2.80 -0.19 5.60 -0.00 -0.55 -4.28 117.44 111.98 3kj7 n TRP 467 Ca 0.02 0.64 -0.06 0.00 -0.00 0.00 0.00 57.50 58.10 3kj7 n TRP 467 Cb 0.53 1.26 0.04 0.00 -0.00 0.00 0.00 31.31 33.14 3kj7 n TRP 467 CO 0.00 0.00 0.00 -0.91 -0.00 0.00 0.00 177.69 176.78 3kj7 h ASN 468 N 0.00 0.59 0.52 5.87 2.35 -0.52 -0.46 115.58 123.94 3kj7 h ASN 468 Ca 0.00 -0.01 -0.03 0.00 -0.55 0.00 0.00 56.30 55.72 3kj7 h ASN 468 Cb 0.00 -0.13 0.01 0.00 0.05 0.00 0.00 38.32 38.24 3kj7 h ASN 468 CO 0.00 0.42 -0.25 0.40 -1.65 0.00 0.00 177.43 176.35 3kj7 h ILE 469 N 0.71 0.00 -0.57 2.81 1.08 -1.48 -1.50 117.51 118.56 3kj7 h ILE 469 Ca 0.22 -0.40 -0.02 0.00 -0.39 0.00 0.00 64.86 64.27 3kj7 h ILE 469 Cb -0.03 0.00 -0.03 0.00 -3.07 0.00 0.00 36.82 33.70 3kj7 h ILE 469 CO -0.07 0.00 0.27 1.55 -0.69 0.00 0.00 178.15 179.21 3kj7 h PRO 470 N -1.10 0.82 -0.07 2.37 0.13 -1.77 -1.25 132.00 131.13 3kj7 h PRO 470 Ca -0.07 -0.12 -0.14 0.00 -0.87 0.00 0.00 66.00 64.80 3kj7 h PRO 470 Cb 0.54 -0.15 -0.01 0.00 0.13 0.00 0.00 31.00 31.51 3kj7 h PRO 470 CO 0.12 0.67 -0.59 0.52 -0.23 0.00 0.00 178.00 178.48 3kj7 h MET 471 N 0.77 0.24 -0.33 0.86 2.86 -1.20 -0.65 114.93 117.48 3kj7 h MET 471 Ca 0.20 -0.16 -0.01 0.00 -2.06 0.00 0.00 59.70 57.66 3kj7 h MET 471 Cb 0.12 0.02 -0.01 0.00 0.06 0.00 0.00 31.60 31.78 3kj7 h MET 471 CO -0.02 0.76 0.15 0.78 1.06 0.00 0.00 176.91 179.64 3kj7 h GLY 472 N 1.46 0.51 1.00 8.32 0.00 -1.10 0.33 103.07 113.59 3kj7 h GLY 472 Ca -0.00 -0.26 -0.02 0.00 0.00 0.00 0.00 47.33 47.05 3kj7 h GLY 472 CO 0.09 0.24 0.37 1.41 0.00 0.00 0.00 176.54 178.65 3kj7 h LEU 473 N 0.39 0.87 -0.23 3.11 3.38 -1.03 -2.27 115.31 119.53 3kj7 h LEU 473 Ca 0.11 -0.11 -0.07 0.00 0.09 0.00 0.00 57.88 57.91 3kj7 h LEU 473 Cb 0.13 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.65 3kj7 h LEU 473 CO -0.01 0.73 -0.12 0.40 0.09 0.00 0.00 178.44 179.53 3kj7 h ILE 474 N 0.95 1.30 -0.37 1.22 2.04 -0.95 -1.85 117.51 119.86 3kj7 h ILE 474 Ca 0.24 -1.20 0.06 0.00 1.00 0.00 0.00 64.86 64.96 3kj7 h ILE 474 Cb 0.06 1.59 -0.05 0.00 -0.74 0.00 0.00 36.82 37.68 3kj7 h ILE 474 CO -0.04 0.37 0.07 0.58 0.00 0.00 0.00 178.15 179.14 3kj7 h VAL 475 N 0.21 0.81 -0.14 1.67 2.07 -0.91 -0.91 116.25 119.06 3kj7 h VAL 475 Ca 0.05 -0.07 0.00 0.00 0.82 0.00 0.00 66.70 67.50 3kj7 h VAL 475 Cb 0.62 0.60 -0.01 0.00 -1.52 0.00 0.00 31.29 30.98 3kj7 h VAL 475 CO 0.04 0.04 0.09 0.78 0.02 0.00 0.00 177.57 178.54 3kj7 h ASN 476 N 0.20 0.16 -0.36 0.57 4.21 -1.37 -0.49 115.58 118.51 3kj7 h ASN 476 Ca 0.18 -0.01 -0.15 0.00 1.21 0.00 0.00 56.30 57.53 3kj7 h ASN 476 Cb 0.20 -0.04 -0.01 0.00 -1.12 0.00 0.00 38.32 37.36 3kj7 h ASN 476 CO -0.23 0.12 -0.35 1.56 -1.29 0.00 0.00 177.43 177.25 3kj7 h GLN 477 N 0.19 0.87 0.00 0.81 4.20 -1.18 -2.93 115.11 117.06 3kj7 h GLN 477 Ca 0.05 -0.45 0.00 0.00 0.06 0.00 0.00 58.65 58.31 3kj7 h GLN 477 Cb -0.02 0.01 0.00 0.00 0.30 0.00 0.00 27.48 27.78 3kj7 h GLN 477 CO -0.01 1.10 0.00 0.25 -0.67 0.00 0.00 178.83 179.50 3kj7 n THR 478 N -4.13 0.44 -2.14 -0.54 -2.24 -0.36 -4.92 114.28 100.39 3kj7 n THR 478 Ca -0.03 -0.18 -0.20 0.00 -2.27 0.00 0.00 64.05 61.37 3kj7 n THR 478 Cb 0.52 -0.58 -0.03 0.00 -2.10 0.00 0.00 70.33 68.13 3kj7 n THR 478 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3kj7 n GLY 479 N 1.31 0.23 3.06 3.38 0.00 -0.23 -4.99 105.19 107.95 3kj7 n GLY 479 Ca 0.06 -0.07 -0.17 0.00 0.00 0.00 0.00 46.02 45.84 3kj7 n GLY 479 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3kj7 s SER 480 N -2.31 1.12 0.00 1.61 0.15 -0.98 -5.02 113.70 108.26 3kj7 s SER 480 Ca 0.00 -0.33 0.25 0.00 0.70 0.00 0.00 55.95 56.57 3kj7 s SER 480 Cb 0.00 -0.07 0.95 0.00 -1.71 0.00 0.00 66.02 65.19 3kj7 s SER 480 CO 0.00 0.00 1.67 0.00 1.20 0.00 0.00 173.24 176.12 3kj7 n ALA 482 N 0.20 6.13 0.16 0.00 0.00 -1.26 -4.56 120.51 121.18 3kj7 n ALA 482 Ca 0.18 -2.09 0.05 0.00 0.00 0.00 0.00 53.44 51.58 3kj7 n ALA 482 Cb 0.34 -2.09 0.25 0.00 0.00 0.00 0.00 19.45 17.95 3kj7 n ALA 482 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 177.50 179.47 3kj7 n PHE 483 N 1.73 0.28 1.43 0.00 -1.74 -1.26 -1.39 117.46 116.51 3kj7 n PHE 483 Ca 0.41 0.14 0.14 0.00 -0.56 0.00 0.00 57.45 57.57 3kj7 n PHE 483 Cb 0.74 -0.72 0.56 0.00 1.52 0.00 0.00 39.48 41.58 3kj7 n PHE 483 CO 0.00 0.00 0.00 -0.40 -0.56 0.00 0.00 176.76 175.80 3kj7 n ASP 484 N -1.78 0.79 0.00 5.98 5.75 -1.26 -3.59 116.55 122.44 3kj7 n ASP 484 Ca 0.00 -0.89 0.00 0.00 -0.01 0.00 0.00 54.79 53.90 3kj7 n ASP 484 Cb 0.06 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.15 3kj7 n ASP 484 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 3kj7 n GLU 485 N -0.64 1.27 0.03 0.11 1.02 -0.48 -4.76 120.64 117.18 3kj7 n GLU 485 Ca 0.16 -1.03 -0.11 0.00 -0.02 0.00 0.00 57.16 56.16 3kj7 n GLU 485 Cb 0.30 -0.95 -0.09 0.00 -0.02 0.00 0.00 31.44 30.68 3kj7 n GLU 485 CO 0.00 0.00 0.00 0.35 1.18 0.00 0.00 177.13 178.66 3kj7 h PHE 486 N 0.00 -0.14 -3.21 -0.32 3.57 -1.61 -3.44 116.94 111.79 3kj7 h PHE 486 Ca 0.00 -0.00 -0.58 0.00 3.53 0.00 0.00 57.97 60.92 3kj7 h PHE 486 Cb 0.35 0.05 -0.04 0.00 2.79 0.00 0.00 35.95 39.09 3kj7 h PHE 486 CO 0.00 0.36 -0.07 -0.06 -2.23 0.00 0.00 178.31 176.31 3kj7 s PHE 487 N -3.41 3.76 0.14 0.41 0.08 -1.26 -0.50 117.98 117.20 3kj7 s PHE 487 Ca -0.14 1.19 -0.19 0.00 0.12 0.00 0.00 56.93 57.92 3kj7 s PHE 487 Cb 0.00 -2.44 0.01 0.00 -0.57 0.00 0.00 43.02 40.03 3kj7 s PHE 487 CO 0.53 0.57 1.71 0.66 -0.10 0.00 0.00 175.22 178.59 3kj7 h SER 488 N 4.40 -0.10 -5.10 1.36 4.64 -1.22 -3.45 113.55 114.07 3kj7 h SER 488 Ca -0.50 0.06 -0.13 0.00 -0.47 0.00 0.00 61.79 60.75 3kj7 h SER 488 Cb 1.21 0.10 -0.17 0.00 -0.31 0.00 0.00 62.40 63.23 3kj7 h SER 488 CO 0.63 -0.02 -0.56 -1.10 -0.87 0.00 0.00 176.83 174.92 3kj7 s GLN 489 N -6.19 0.58 0.17 4.77 -0.21 -1.25 -4.89 119.66 112.65 3kj7 s GLN 489 Ca -0.13 -0.82 -0.10 0.00 0.02 0.00 0.00 55.36 54.33 3kj7 s GLN 489 Cb 0.11 0.22 -0.01 0.00 1.00 0.00 0.00 33.01 34.34 3kj7 s GLN 489 CO 0.69 -0.14 0.31 -1.12 -2.12 0.00 0.00 175.29 172.92 3kj7 s SER 490 N -2.22 0.01 -0.30 5.90 0.01 -0.01 -1.47 113.70 115.62 3kj7 s SER 490 Ca -0.04 -0.85 0.01 0.00 1.31 0.00 0.00 55.95 56.38 3kj7 s SER 490 Cb -0.00 0.45 0.07 0.00 0.21 0.00 0.00 66.02 66.75 3kj7 s SER 490 CO -0.05 -0.92 -0.02 0.00 0.41 0.00 0.00 173.24 172.66 3kj7 s ALA 492 N 1.14 2.49 0.20 0.00 0.00 0.57 -1.26 121.76 124.89 3kj7 s ALA 492 Ca -0.04 -2.95 -0.32 0.00 0.00 0.00 0.00 51.96 48.65 3kj7 s ALA 492 Cb -0.20 -1.90 -0.15 0.00 0.00 0.00 0.00 23.12 20.87 3kj7 s ALA 492 CO -0.04 -2.05 1.25 -2.30 0.00 0.00 0.00 175.76 172.62 3kj7 n PRO 493 N 2.86 1.50 0.00 0.00 -0.02 -1.26 -1.67 135.00 136.41 3kj7 n PRO 493 Ca 0.18 0.54 0.00 0.00 -2.02 0.00 0.00 63.50 62.19 3kj7 n PRO 493 Cb 0.38 -2.09 0.00 0.00 -0.02 0.00 0.00 33.50 31.77 3kj7 n PRO 493 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3kj7 n GLY 494 N 2.05 1.96 3.87 -1.23 0.00 -0.30 -0.76 105.19 110.79 3kj7 n GLY 494 Ca 0.14 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.86 3kj7 n GLY 494 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kj7 s ALA 495 N -2.41 2.31 0.05 4.61 0.00 -0.67 -4.96 121.76 120.70 3kj7 s ALA 495 Ca 0.00 -0.75 -0.30 0.00 0.00 0.00 0.00 51.96 50.91 3kj7 s ALA 495 Cb 0.00 -2.93 -0.09 0.00 0.00 0.00 0.00 23.12 20.09 3kj7 s ALA 495 CO 0.00 -2.03 1.96 0.34 0.00 0.00 0.00 175.76 176.03 3kj7 s ASP 496 N -4.51 6.43 0.54 0.00 2.15 -1.26 -4.87 116.67 115.16 3kj7 s ASP 496 Ca 0.65 2.70 0.24 0.00 0.43 0.00 0.00 52.55 56.58 3kj7 s ASP 496 Cb -0.10 -2.54 1.43 0.00 -0.30 0.00 0.00 42.92 41.41 3kj7 s ASP 496 CO 0.51 -1.05 2.06 -0.65 -0.17 0.00 0.00 175.17 175.86 3kj7 h PRO 497 N 10.31 0.00 0.00 4.34 0.11 -1.93 -1.14 132.00 143.70 3kj7 h PRO 497 Ca -0.49 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.62 3kj7 h PRO 497 Cb 1.24 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.35 3kj7 h PRO 497 CO 0.94 0.00 -0.20 0.36 -0.21 0.00 0.00 178.00 178.90 3kj7 n LYS 498 N -4.27 0.06 -2.07 1.05 2.85 -1.26 -4.68 118.16 109.85 3kj7 n LYS 498 Ca 0.05 0.04 -0.29 0.00 -1.05 0.00 0.00 58.31 57.06 3kj7 n LYS 498 Cb 0.42 -1.56 0.04 0.00 -0.65 0.00 0.00 35.03 33.29 3kj7 n LYS 498 CO 0.00 0.00 0.00 -1.54 -0.05 0.00 0.00 177.40 175.81 3kj7 s SER 499 N -3.31 5.41 0.56 -5.58 1.04 -0.43 -4.96 113.70 106.43 3kj7 s SER 499 Ca 0.12 0.94 0.24 0.00 0.48 0.00 0.00 55.95 57.74 3kj7 s SER 499 Cb 0.17 -1.78 1.59 0.00 0.10 0.00 0.00 66.02 66.10 3kj7 s SER 499 CO 0.60 -1.29 2.21 0.08 0.98 0.00 0.00 173.24 175.82 3kj7 h ARG 500 N -0.52 0.00 0.00 4.02 0.11 -1.90 -1.91 114.38 114.18 3kj7 h ARG 500 Ca -0.45 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.63 3kj7 h ARG 500 Cb 1.26 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.34 3kj7 h ARG 500 CO 0.63 0.01 0.00 -0.07 0.10 0.00 0.00 179.97 180.64 3kj7 h LEU 501 N 0.00 0.00 -0.77 0.08 3.38 -1.85 0.08 115.31 116.23 3kj7 h LEU 501 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3kj7 h LEU 501 Cb 0.02 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.77 3kj7 h LEU 501 CO 0.00 0.00 -0.25 0.00 0.09 0.00 0.00 178.44 178.28 3kj7 h ALA 503 N 2.04 2.07 -0.01 0.00 0.00 -1.08 -0.71 119.26 121.56 3kj7 h ALA 503 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 3kj7 h ALA 503 Cb 0.40 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.12 3kj7 h ALA 503 CO 0.00 -0.20 -0.30 1.28 0.00 0.00 0.00 179.25 180.03 3kj7 n LEU 504 N -4.46 0.90 -4.78 0.00 4.77 0.18 -4.94 117.00 108.67 3kj7 n LEU 504 Ca 0.10 -0.20 -0.35 0.00 -0.03 0.00 0.00 56.01 55.53 3kj7 n LEU 504 Cb 0.39 -0.15 0.00 0.00 -2.33 0.00 0.00 43.42 41.33 3kj7 n LEU 504 CO 0.34 0.18 0.77 0.00 -1.33 0.00 0.00 177.39 177.34 3kj7 n ALA 506 N -1.38 2.28 -0.62 0.00 0.00 -1.26 -4.79 120.51 114.73 3kj7 n ALA 506 Ca 0.11 -0.07 0.00 0.00 0.00 0.00 0.00 53.44 53.48 3kj7 n ALA 506 Cb 0.51 -0.10 0.00 0.00 0.00 0.00 0.00 19.45 19.86 3kj7 n ALA 506 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3kj7 n GLY 507 N 1.47 0.13 0.00 0.00 0.00 -1.26 -4.53 105.19 100.99 3kj7 n GLY 507 Ca 0.00 -0.96 0.00 0.00 0.00 0.00 0.00 46.02 45.06 3kj7 n GLY 507 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3kj7 n ASP 508 N -1.76 0.00 -0.34 1.61 5.68 0.52 -1.52 116.55 120.74 3kj7 n ASP 508 Ca 0.00 -0.90 0.17 0.00 -0.50 0.00 0.00 54.79 53.56 3kj7 n ASP 508 Cb 0.00 0.00 0.39 0.00 -1.14 0.00 0.00 41.12 40.37 3kj7 n ASP 508 CO 0.00 0.00 0.00 0.44 -1.33 0.00 0.00 177.20 176.31 3kj7 h ASP 509 N 0.00 0.67 -0.02 -1.12 3.32 -1.89 0.53 116.42 117.92 3kj7 h ASP 509 Ca 0.00 0.10 0.00 0.00 0.02 0.00 0.00 57.03 57.15 3kj7 h ASP 509 Cb 0.00 -0.01 0.00 0.00 0.22 0.00 0.00 39.33 39.54 3kj7 h ASP 509 CO 0.00 0.18 0.00 0.00 -1.72 0.00 0.00 179.24 177.70 3kj7 n GLN 510 N -4.76 1.56 -1.18 3.56 6.02 -1.26 -4.91 117.38 116.41 3kj7 n GLN 510 Ca 0.25 -0.82 -0.06 0.00 -0.01 0.00 0.00 57.00 56.36 3kj7 n GLN 510 Cb 0.69 -1.48 -0.03 0.00 1.02 0.00 0.00 30.24 30.44 3kj7 n GLN 510 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3kj7 n GLY 511 N 1.14 0.84 3.91 1.08 0.00 0.18 -5.03 105.19 107.31 3kj7 n GLY 511 Ca 0.20 -0.55 -0.27 0.00 0.00 0.00 0.00 46.02 45.40 3kj7 n GLY 511 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3kj7 s LEU 512 N -1.39 3.64 -1.44 0.99 1.43 -1.26 -4.38 118.68 116.26 3kj7 s LEU 512 Ca 0.00 0.92 0.00 0.00 -1.03 0.00 0.00 54.13 54.02 3kj7 s LEU 512 Cb 0.00 -3.87 0.00 0.00 0.03 0.00 0.00 46.19 42.35 3kj7 s LEU 512 CO 0.00 -0.57 0.00 0.47 0.23 0.00 0.00 176.35 176.48 3kj7 n ASP 513 N -2.24 -4.89 -4.65 2.29 8.00 -1.26 -0.35 116.55 113.45 3kj7 n ASP 513 Ca 0.00 0.03 -0.50 0.00 0.71 0.00 0.00 54.79 55.03 3kj7 n ASP 513 Cb 0.55 -3.98 -0.05 0.00 -0.02 0.00 0.00 41.12 37.62 3kj7 n ASP 513 CO 0.00 0.00 0.00 1.17 -0.39 0.00 0.00 177.20 177.98 3kj7 n LYS 514 N -2.57 1.62 -1.00 -1.24 4.81 -1.26 -1.77 118.16 116.74 3kj7 n LYS 514 Ca -0.19 0.59 0.00 0.00 -0.87 0.00 0.00 58.31 57.83 3kj7 n LYS 514 Cb 0.64 -2.30 0.00 0.00 0.02 0.00 0.00 35.03 33.38 3kj7 n LYS 514 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 3kj7 s VAL 516 N -1.60 2.87 -1.24 0.00 -7.23 -0.73 -1.14 120.40 111.32 3kj7 s VAL 516 Ca 0.00 0.78 -0.09 0.00 -1.81 0.00 0.00 61.98 60.86 3kj7 s VAL 516 Cb 0.00 -3.49 -0.13 0.00 0.56 0.00 0.00 36.38 33.32 3kj7 s VAL 516 CO 0.00 0.15 3.12 -0.81 -0.31 0.00 0.00 175.10 177.24 3kj7 n PRO 517 N 1.81 3.32 -4.02 4.82 -0.04 -1.26 -4.45 135.00 135.17 3kj7 n PRO 517 Ca 0.04 -1.94 -0.11 0.00 -0.04 0.00 0.00 63.50 61.46 3kj7 n PRO 517 Cb 0.42 -2.61 -0.05 0.00 -0.04 0.00 0.00 33.50 31.22 3kj7 n PRO 517 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 3kj7 s ASN 518 N 2.11 0.17 0.03 3.54 2.20 -1.26 -4.49 114.94 117.24 3kj7 s ASN 518 Ca 0.69 -1.11 0.09 0.00 -0.94 0.00 0.00 52.86 51.59 3kj7 s ASN 518 Cb 0.21 0.61 0.40 0.00 -2.00 0.00 0.00 41.25 40.47 3kj7 s ASN 518 CO -0.05 -1.19 1.29 -1.54 -2.94 0.00 0.00 177.10 172.67 3kj7 n SER 519 N -0.69 0.07 0.09 3.54 3.41 -1.26 -1.78 113.62 117.01 3kj7 n SER 519 Ca -0.01 0.53 0.02 0.00 -0.26 0.00 0.00 58.87 59.14 3kj7 n SER 519 Cb 0.62 -0.54 0.37 0.00 -0.26 0.00 0.00 64.21 64.40 3kj7 n SER 519 CO 0.00 0.00 0.00 0.11 -0.16 0.00 0.00 175.04 174.99 3kj7 h LYS 520 N 0.00 0.31 -6.25 4.33 1.57 -1.94 -3.42 116.57 111.18 3kj7 h LYS 520 Ca 0.00 -0.07 -0.56 0.00 -1.87 0.00 0.00 60.65 58.16 3kj7 h LYS 520 Cb 0.13 -0.05 -0.03 0.00 0.08 0.00 0.00 32.23 32.37 3kj7 h LYS 520 CO 0.00 0.41 0.84 -2.00 -0.57 0.00 0.00 179.45 178.13 3kj7 s GLU 521 N -4.81 4.28 0.27 3.15 2.56 -0.73 -3.13 118.70 120.28 3kj7 s GLU 521 Ca -0.06 1.75 0.00 0.00 0.00 0.00 0.00 54.97 56.67 3kj7 s GLU 521 Cb 0.15 -3.68 0.62 0.00 2.00 0.00 0.00 34.13 33.22 3kj7 s GLU 521 CO 0.74 -0.61 1.71 -0.22 -0.56 0.00 0.00 175.26 176.32 3kj7 h LYS 522 N 7.99 0.40 -0.65 4.30 3.64 -1.52 -1.48 116.57 129.25 3kj7 h LYS 522 Ca -0.32 -0.02 -0.05 0.00 -1.27 0.00 0.00 60.65 58.99 3kj7 h LYS 522 Cb 1.14 -0.09 -0.03 0.00 -0.41 0.00 0.00 32.23 32.84 3kj7 h LYS 522 CO 0.93 0.26 0.06 0.66 -2.27 0.00 0.00 179.45 179.09 3kj7 n TYR 523 N -5.04 2.04 -2.55 1.91 4.01 -1.26 -4.49 117.16 111.77 3kj7 n TYR 523 Ca 0.19 -0.78 -0.38 0.00 -0.16 0.00 0.00 57.90 56.77 3kj7 n TYR 523 Cb 0.56 -0.53 -0.04 0.00 -0.31 0.00 0.00 39.34 39.01 3kj7 n TYR 523 CO 0.00 0.00 0.00 -0.47 -0.46 0.00 0.00 176.86 175.93 3kj7 s TYR 524 N -2.68 3.47 0.03 -0.72 5.04 -0.56 -2.37 117.35 119.55 3kj7 s TYR 524 Ca 0.51 1.70 0.00 0.00 -2.44 0.00 0.00 57.07 56.84 3kj7 s TYR 524 Cb 0.39 -3.15 0.00 0.00 0.35 0.00 0.00 41.96 39.55 3kj7 s TYR 524 CO 0.14 -0.44 0.00 0.41 -1.34 0.00 0.00 175.55 174.32 3kj7 n GLY 525 N 0.75 -2.05 0.34 8.97 0.00 -0.41 -1.95 105.19 110.85 3kj7 n GLY 525 Ca 0.02 -1.41 -0.11 0.00 0.00 0.00 0.00 46.02 44.52 3kj7 n GLY 525 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 3kj7 h TYR 526 N -0.11 -0.92 -0.39 1.61 0.05 -1.92 -0.37 116.97 114.92 3kj7 h TYR 526 Ca 0.00 0.04 -0.09 0.00 0.05 0.00 0.00 58.73 58.73 3kj7 h TYR 526 Cb 0.11 0.43 -0.01 0.00 1.01 0.00 0.00 36.73 38.26 3kj7 h TYR 526 CO 0.00 -0.41 -0.10 1.15 -1.05 0.00 0.00 178.16 177.75 3kj7 h THR 527 N -0.40 1.28 -0.67 -2.88 2.02 -1.90 -2.13 112.91 108.23 3kj7 h THR 527 Ca 0.10 -1.19 -0.04 0.00 0.77 0.00 0.00 66.41 66.04 3kj7 h THR 527 Cb 0.55 1.23 -0.03 0.00 -1.74 0.00 0.00 68.15 68.17 3kj7 h THR 527 CO -0.36 0.40 0.25 1.23 0.37 0.00 0.00 175.52 177.40 3kj7 h GLY 528 N 0.57 1.08 1.23 2.16 0.00 -1.28 -0.53 103.07 106.31 3kj7 h GLY 528 Ca 0.10 -0.61 -0.12 0.00 0.00 0.00 0.00 47.33 46.70 3kj7 h GLY 528 CO 0.04 0.57 -0.22 0.00 0.00 0.00 0.00 176.54 176.93 3kj7 h ALA 529 N 1.11 0.79 -0.40 3.60 0.00 -0.68 -1.26 119.26 122.41 3kj7 h ALA 529 Ca 0.22 -0.38 -0.07 0.00 0.00 0.00 0.00 54.91 54.68 3kj7 h ALA 529 Cb 0.23 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.85 3kj7 h ALA 529 CO -0.01 0.65 -0.05 0.35 0.00 0.00 0.00 179.25 180.19 3kj7 h PHE 530 N 0.76 0.71 -0.69 0.00 3.57 -1.13 -2.57 116.94 117.59 3kj7 h PHE 530 Ca 0.10 -0.10 -0.05 0.00 3.53 0.00 0.00 57.97 61.45 3kj7 h PHE 530 Cb 0.76 -0.19 -0.03 0.00 2.79 0.00 0.00 35.95 39.28 3kj7 h PHE 530 CO 0.04 0.70 0.23 -0.09 -2.23 0.00 0.00 178.31 176.97 3kj7 h ARG 531 N 0.62 1.06 -0.73 1.11 2.43 -0.77 0.17 114.38 118.27 3kj7 h ARG 531 Ca 0.12 -0.22 0.10 0.00 -0.81 0.00 0.00 59.98 59.17 3kj7 h ARG 531 Cb 0.46 -0.16 -0.07 0.00 -0.42 0.00 0.00 29.97 29.78 3kj7 h ARG 531 CO 0.02 0.90 0.37 0.00 -1.51 0.00 0.00 179.97 179.76 3kj7 h LEU 533 N 0.62 0.04 -1.09 0.00 5.85 -1.08 -0.85 115.31 118.81 3kj7 h LEU 533 Ca 0.36 -0.51 0.16 0.00 0.84 0.00 0.00 57.88 58.73 3kj7 h LEU 533 Cb 0.39 -0.01 -0.09 0.00 0.37 0.00 0.00 40.66 41.31 3kj7 h LEU 533 CO -0.27 0.54 0.61 0.00 -0.34 0.00 0.00 178.44 178.98 3kj7 h ALA 534 N 0.50 1.69 -0.08 1.25 0.00 -0.28 0.40 119.26 122.74 3kj7 h ALA 534 Ca 0.00 0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.96 3kj7 h ALA 534 Cb 0.53 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.19 3kj7 h ALA 534 CO 0.00 -0.00 0.00 0.39 0.00 0.00 0.00 179.25 179.64 3kj7 n GLU 535 N -4.66 1.37 -1.96 0.00 1.02 0.25 -4.91 120.64 111.76 3kj7 n GLU 535 Ca 0.21 -0.56 -0.19 0.00 -0.02 0.00 0.00 57.16 56.59 3kj7 n GLU 535 Cb 0.50 -1.36 -0.05 0.00 -0.02 0.00 0.00 31.44 30.51 3kj7 n GLU 535 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 3kj7 n ASP 536 N -0.23 -5.46 -0.08 1.62 8.00 0.13 -4.89 116.55 115.63 3kj7 n ASP 536 Ca 0.16 0.24 -0.14 0.00 0.71 0.00 0.00 54.79 55.75 3kj7 n ASP 536 Cb 0.20 -4.58 -0.03 0.00 -0.02 0.00 0.00 41.12 36.69 3kj7 n ASP 536 CO 0.00 0.00 0.00 0.58 -0.39 0.00 0.00 177.20 177.39 3kj7 h VAL 537 N 0.00 1.27 -2.07 2.53 2.07 -1.38 -3.45 116.25 115.22 3kj7 h VAL 537 Ca -0.43 -1.70 -0.60 0.00 0.82 0.00 0.00 66.70 64.80 3kj7 h VAL 537 Cb 1.30 1.58 -0.12 0.00 -1.52 0.00 0.00 31.29 32.53 3kj7 h VAL 537 CO 0.56 0.56 -0.68 -0.83 0.02 0.00 0.00 177.57 177.20 3kj7 s GLY 538 N -3.94 1.96 0.07 2.17 0.00 -0.85 -4.90 107.32 101.82 3kj7 s GLY 538 Ca -0.11 -1.91 0.14 0.00 0.00 0.00 0.00 44.72 42.85 3kj7 s GLY 538 CO 0.89 -1.92 0.92 -0.55 0.00 0.00 0.00 173.10 172.44 3kj7 h ASP 539 N 2.03 0.00 -3.79 1.64 3.32 0.31 -3.41 116.42 116.51 3kj7 h ASP 539 Ca -0.42 0.00 -0.22 0.00 0.02 0.00 0.00 57.03 56.41 3kj7 h ASP 539 Cb 1.25 0.00 -0.27 0.00 0.22 0.00 0.00 39.33 40.53 3kj7 h ASP 539 CO 0.64 0.72 -0.67 0.54 -1.72 0.00 0.00 179.24 178.75 3kj7 s VAL 540 N -2.82 0.00 -0.09 -1.35 0.11 -0.97 -4.38 120.40 110.90 3kj7 s VAL 540 Ca -0.02 -0.03 0.04 0.00 -2.93 0.00 0.00 61.98 59.04 3kj7 s VAL 540 Cb 0.08 -0.08 -0.01 0.00 -1.53 0.00 0.00 36.38 34.85 3kj7 s VAL 540 CO 0.81 -0.02 -0.21 0.00 -3.33 0.00 0.00 175.10 172.35 3kj7 s ALA 541 N -0.03 2.31 -0.61 1.54 0.00 -0.24 -0.12 121.76 124.61 3kj7 s ALA 541 Ca -0.01 -0.98 -0.16 0.00 0.00 0.00 0.00 51.96 50.82 3kj7 s ALA 541 Cb -0.01 -0.87 0.15 0.00 0.00 0.00 0.00 23.12 22.39 3kj7 s ALA 541 CO 0.00 0.34 0.56 -0.06 0.00 0.00 0.00 175.76 176.61 3kj7 s PHE 542 N 0.09 3.37 0.00 0.00 0.08 0.06 -1.11 117.98 120.47 3kj7 s PHE 542 Ca -0.10 -1.45 0.00 0.00 0.12 0.00 0.00 56.93 55.50 3kj7 s PHE 542 Cb -0.16 -3.81 0.00 0.00 -0.57 0.00 0.00 43.02 38.49 3kj7 s PHE 542 CO 0.06 -1.02 0.00 1.33 -0.10 0.00 0.00 175.22 175.49 3kj7 n VAL 543 N 4.95 0.00 -4.20 -0.44 0.24 -1.01 -3.61 118.33 114.26 3kj7 n VAL 543 Ca -0.07 0.00 -0.23 0.00 -2.04 0.00 0.00 64.34 62.00 3kj7 n VAL 543 Cb 0.42 0.00 -0.07 0.00 -1.47 0.00 0.00 33.84 32.72 3kj7 n VAL 543 CO 0.00 0.00 0.00 -1.59 -2.14 0.00 0.00 176.83 173.10 3kj7 s LYS 544 N 1.13 2.39 0.20 7.34 -2.85 -1.26 -1.01 119.74 125.67 3kj7 s LYS 544 Ca 0.00 -1.44 -0.12 0.00 -1.00 0.00 0.00 55.97 53.41 3kj7 s LYS 544 Cb 0.00 -2.20 0.24 0.00 -2.06 0.00 0.00 37.83 33.81 3kj7 s LYS 544 CO 0.00 0.27 1.67 -0.97 0.10 0.00 0.00 175.35 176.41 3kj7 h ASN 545 N 1.71 -0.28 -0.85 0.03 -1.24 -1.38 -2.31 115.58 111.26 3kj7 h ASN 545 Ca -0.44 0.14 0.12 0.00 0.71 0.00 0.00 56.30 56.82 3kj7 h ASN 545 Cb 1.25 0.25 -0.06 0.00 0.73 0.00 0.00 38.32 40.49 3kj7 h ASN 545 CO 0.62 -0.10 0.55 0.44 -1.29 0.00 0.00 177.43 177.64 3kj7 h ASP 546 N 0.10 0.68 -0.58 1.15 5.19 -1.97 -2.26 116.42 118.73 3kj7 h ASP 546 Ca 0.29 0.03 0.04 0.00 -0.62 0.00 0.00 57.03 56.77 3kj7 h ASP 546 Cb 0.45 -0.11 -0.05 0.00 0.18 0.00 0.00 39.33 39.80 3kj7 h ASP 546 CO -0.49 0.38 0.33 0.74 -3.12 0.00 0.00 179.24 177.08 3kj7 h THR 547 N 0.74 1.00 0.08 0.35 2.02 -1.82 0.32 112.91 115.59 3kj7 h THR 547 Ca 0.41 -0.21 -0.00 0.00 0.77 0.00 0.00 66.41 67.37 3kj7 h THR 547 Cb 0.56 0.32 0.00 0.00 -1.74 0.00 0.00 68.15 67.29 3kj7 h THR 547 CO -0.17 0.11 -0.04 0.58 0.37 0.00 0.00 175.52 176.37 3kj7 h VAL 548 N 0.63 0.97 -0.64 3.16 2.07 -1.47 -2.72 116.25 118.25 3kj7 h VAL 548 Ca 0.25 -0.17 -0.00 0.00 0.82 0.00 0.00 66.70 67.59 3kj7 h VAL 548 Cb 0.11 1.09 -0.03 0.00 -1.52 0.00 0.00 31.29 30.94 3kj7 h VAL 548 CO -0.15 0.04 0.38 -0.50 0.02 0.00 0.00 177.57 177.37 3kj7 h TRP 549 N -0.18 0.85 0.00 1.57 4.06 -1.44 -2.93 115.95 117.88 3kj7 h TRP 549 Ca -0.01 -0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.94 3kj7 h TRP 549 Cb 0.15 -0.28 0.00 0.00 -1.00 0.00 0.00 29.16 28.03 3kj7 h TRP 549 CO -0.05 0.58 0.00 0.39 -3.56 0.00 0.00 178.44 175.80 3kj7 n GLU 550 N -4.58 0.12 -0.12 0.49 1.02 0.07 -3.20 120.64 114.44 3kj7 n GLU 550 Ca 0.05 0.33 0.09 0.00 -0.02 0.00 0.00 57.16 57.61 3kj7 n GLU 550 Cb 0.06 -1.71 0.12 0.00 -0.02 0.00 0.00 31.44 29.89 3kj7 n GLU 550 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 3kj7 n ASN 551 N -1.93 2.09 -4.23 1.62 3.02 -1.04 -3.81 115.26 110.98 3kj7 n ASN 551 Ca 0.03 -2.97 -0.13 0.00 -0.03 0.00 0.00 54.58 51.48 3kj7 n ASN 551 Cb 0.22 -0.40 -0.10 0.00 -0.61 0.00 0.00 39.78 38.88 3kj7 n ASN 551 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 3kj7 s THR 552 N -2.56 0.68 -1.51 3.41 -4.23 -1.19 -4.73 115.64 105.51 3kj7 s THR 552 Ca 0.28 -1.98 -0.11 0.00 -1.18 0.00 0.00 61.69 58.71 3kj7 s THR 552 Cb 0.25 -2.06 0.07 0.00 1.34 0.00 0.00 72.50 72.10 3kj7 s THR 552 CO 0.03 -0.52 0.82 0.59 -0.54 0.00 0.00 174.62 174.99 3kj7 n ASN 553 N -0.22 -3.27 0.00 3.99 4.13 0.73 -1.94 115.26 118.68 3kj7 n ASN 553 Ca -0.07 -0.86 0.00 0.00 1.68 0.00 0.00 54.58 55.32 3kj7 n ASN 553 Cb 0.63 -3.57 0.00 0.00 -1.54 0.00 0.00 39.78 35.30 3kj7 n ASN 553 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 3kj7 n GLY 554 N -1.65 0.68 0.21 7.41 0.00 -1.26 -4.92 105.19 105.65 3kj7 n GLY 554 Ca -0.06 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.11 3kj7 n GLY 554 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 3kj7 h GLU 555 N 1.74 0.00 0.00 1.61 4.39 -1.65 -3.38 114.58 117.29 3kj7 h GLU 555 Ca 0.00 0.00 -0.31 0.00 0.34 0.00 0.00 59.36 59.39 3kj7 h GLU 555 Cb 0.00 0.00 -0.05 0.00 -0.10 0.00 0.00 28.75 28.60 3kj7 h GLU 555 CO 0.00 0.00 -2.08 0.45 -1.16 0.00 0.00 179.01 176.22 3kj7 n SER 556 N -2.76 1.78 0.00 1.42 2.88 -1.25 -4.84 113.62 110.85 3kj7 n SER 556 Ca 0.02 0.13 0.00 0.00 -1.33 0.00 0.00 58.87 57.69 3kj7 n SER 556 Cb 0.34 -0.48 0.00 0.00 -0.75 0.00 0.00 64.21 63.32 3kj7 n SER 556 CO 0.00 0.00 0.00 0.35 -1.23 0.00 0.00 175.04 174.16 3kj7 n THR 557 N -3.59 0.00 -1.94 2.46 -2.24 -1.26 -4.98 114.28 102.72 3kj7 n THR 557 Ca -0.37 0.00 -0.40 0.00 -2.27 0.00 0.00 64.05 61.02 3kj7 n THR 557 Cb 0.80 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 69.03 3kj7 n THR 557 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3kj7 s ALA 558 N -1.36 3.26 0.26 6.98 0.00 -1.26 -4.62 121.76 125.02 3kj7 s ALA 558 Ca 0.00 1.34 -0.10 0.00 0.00 0.00 0.00 51.96 53.19 3kj7 s ALA 558 Cb 0.00 -3.53 0.38 0.00 0.00 0.00 0.00 23.12 19.97 3kj7 s ALA 558 CO 0.00 -0.98 1.58 0.38 0.00 0.00 0.00 175.76 176.74 3kj7 h ASP 559 N 2.55 -0.89 0.73 0.00 3.04 -2.00 0.84 116.42 120.70 3kj7 h ASP 559 Ca -0.50 0.27 -0.06 0.00 -3.24 0.00 0.00 57.03 53.50 3kj7 h ASP 559 Cb 1.25 0.57 -0.01 0.00 -1.04 0.00 0.00 39.33 40.11 3kj7 h ASP 559 CO 0.62 -0.30 -0.30 4.11 -2.04 0.00 0.00 179.24 181.33 3kj7 h TRP 560 N -0.01 0.00 0.00 4.15 5.08 -2.02 -3.32 115.95 119.84 3kj7 h TRP 560 Ca 0.42 0.00 -0.12 0.00 1.08 0.00 0.00 58.89 60.27 3kj7 h TRP 560 Cb 0.65 0.00 -0.02 0.00 -3.00 0.00 0.00 29.16 26.79 3kj7 h TRP 560 CO -0.71 0.30 -2.09 0.00 -1.28 0.00 0.00 178.44 174.66 3kj7 n ALA 561 N -2.29 2.36 -0.27 0.11 0.00 0.02 -4.59 120.51 115.84 3kj7 n ALA 561 Ca -0.01 -0.78 0.04 0.00 0.00 0.00 0.00 53.44 52.70 3kj7 n ALA 561 Cb 0.44 -0.58 0.10 0.00 0.00 0.00 0.00 19.45 19.41 3kj7 n ALA 561 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 3kj7 n LYS 562 N -2.44 -0.07 -0.30 0.00 5.02 0.27 -1.53 118.16 119.11 3kj7 n LYS 562 Ca -0.13 1.19 0.11 0.00 -2.02 0.00 0.00 58.31 57.45 3kj7 n LYS 562 Cb 0.77 -1.77 0.27 0.00 -0.02 0.00 0.00 35.03 34.28 3kj7 n LYS 562 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 3kj7 n ASN 563 N -5.24 3.70 -4.72 4.39 2.85 -1.26 -4.37 115.26 110.61 3kj7 n ASN 563 Ca 0.12 -1.99 -0.42 0.00 -0.11 0.00 0.00 54.58 52.18 3kj7 n ASN 563 Cb 0.38 -0.39 -0.03 0.00 1.24 0.00 0.00 39.78 40.97 3kj7 n ASN 563 CO 0.00 0.00 0.00 -0.76 -2.11 0.00 0.00 177.26 174.39 3kj7 s LEU 564 N -1.14 4.41 -0.12 1.20 1.43 -0.58 -4.97 118.68 118.91 3kj7 s LEU 564 Ca 0.43 1.72 -0.02 0.00 -1.03 0.00 0.00 54.13 55.24 3kj7 s LEU 564 Cb 0.23 -3.58 -0.03 0.00 0.03 0.00 0.00 46.19 42.85 3kj7 s LEU 564 CO 0.31 -0.22 -0.05 -0.75 0.23 0.00 0.00 176.35 175.87 3kj7 s LYS 565 N 0.72 3.31 0.38 1.70 2.36 -1.26 -0.19 119.74 126.75 3kj7 s LYS 565 Ca 0.51 -0.53 0.11 0.00 -2.55 0.00 0.00 55.97 53.51 3kj7 s LYS 565 Cb -0.22 -2.78 0.90 0.00 -1.05 0.00 0.00 37.83 34.68 3kj7 s LYS 565 CO 0.29 0.41 1.89 0.00 1.55 0.00 0.00 175.35 179.49 3kj7 h ARG 566 N 6.11 0.57 0.00 4.03 3.08 -1.94 -1.77 114.38 124.47 3kj7 h ARG 566 Ca -0.38 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 59.64 3kj7 h ARG 566 Cb 1.19 -0.13 0.00 0.00 0.08 0.00 0.00 29.97 31.11 3kj7 h ARG 566 CO 0.58 0.38 0.00 0.39 -1.07 0.00 0.00 179.97 180.25 3kj7 n GLU 567 N -4.53 0.12 0.00 0.04 -0.58 -1.26 -2.08 120.64 112.35 3kj7 n GLU 567 Ca 0.16 0.38 0.15 0.00 -0.42 0.00 0.00 57.16 57.43 3kj7 n GLU 567 Cb 0.50 -1.74 0.71 0.00 -0.57 0.00 0.00 31.44 30.33 3kj7 n GLU 567 CO 0.00 0.00 0.00 -0.25 -0.48 0.00 0.00 177.13 176.40 3kj7 n ASP 568 N -1.98 0.82 -4.40 1.62 8.00 -0.66 -4.79 116.55 115.16 3kj7 n ASP 568 Ca 0.02 -1.24 -0.29 0.00 0.71 0.00 0.00 54.79 53.99 3kj7 n ASP 568 Cb 0.20 -0.00 -0.13 0.00 -0.02 0.00 0.00 41.12 41.16 3kj7 n ASP 568 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 3kj7 s PHE 569 N -2.02 2.35 0.12 1.24 0.08 -0.89 -0.03 117.98 118.83 3kj7 s PHE 569 Ca 0.42 -0.37 0.06 0.00 0.12 0.00 0.00 56.93 57.16 3kj7 s PHE 569 Cb 0.21 -1.30 -0.04 0.00 -0.57 0.00 0.00 43.02 41.32 3kj7 s PHE 569 CO 0.36 0.30 -0.15 1.03 -0.10 0.00 0.00 175.22 176.66 3kj7 s ARG 570 N -1.87 1.02 -0.06 0.44 1.81 -0.29 -4.35 118.95 115.66 3kj7 s ARG 570 Ca 0.14 -1.22 -0.04 0.00 -1.72 0.00 0.00 55.73 52.89 3kj7 s ARG 570 Cb -0.10 -0.94 -0.04 0.00 -0.45 0.00 0.00 34.95 33.41 3kj7 s ARG 570 CO 0.06 0.19 0.15 -0.51 -0.68 0.00 0.00 175.30 174.50 3kj7 s LEU 571 N -2.37 4.31 -0.28 2.53 1.43 0.81 -0.96 118.68 124.15 3kj7 s LEU 571 Ca 0.08 0.37 -0.15 0.00 -1.03 0.00 0.00 54.13 53.40 3kj7 s LEU 571 Cb -0.06 -2.34 -0.03 0.00 0.03 0.00 0.00 46.19 43.79 3kj7 s LEU 571 CO 0.03 0.33 0.37 -0.76 0.23 0.00 0.00 176.35 176.55 3kj7 s LEU 572 N -1.52 4.08 0.26 1.79 1.43 -0.03 -1.64 118.68 123.05 3kj7 s LEU 572 Ca 0.21 0.23 -0.06 0.00 -1.03 0.00 0.00 54.13 53.48 3kj7 s LEU 572 Cb -0.12 -2.41 -0.06 0.00 0.03 0.00 0.00 46.19 43.63 3kj7 s LEU 572 CO 0.12 -0.20 0.54 0.00 0.23 0.00 0.00 176.35 177.03 3kj7 h LEU 574 N 1.97 0.00 -0.00 0.00 3.38 -1.87 -1.38 115.31 117.40 3kj7 h LEU 574 Ca -0.47 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.50 3kj7 h LEU 574 Cb 1.18 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.93 3kj7 h LEU 574 CO 0.67 0.06 0.00 -0.90 0.09 0.00 0.00 178.44 178.36 3kj7 n ASP 575 N -3.76 0.00 0.00 -0.43 5.68 -1.26 -4.86 116.55 111.92 3kj7 n ASP 575 Ca -0.02 -1.70 0.00 0.00 -0.50 0.00 0.00 54.79 52.56 3kj7 n ASP 575 Cb 0.16 -0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.14 3kj7 n ASP 575 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3kj7 n GLY 576 N 0.65 0.73 3.89 6.12 0.00 -0.52 -5.05 105.19 111.01 3kj7 n GLY 576 Ca 0.07 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.80 3kj7 n GLY 576 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3kj7 s THR 577 N -2.42 4.89 -0.13 2.61 2.01 -1.25 -4.67 115.64 116.67 3kj7 s THR 577 Ca 0.00 0.36 -0.01 0.00 0.31 0.00 0.00 61.69 62.36 3kj7 s THR 577 Cb 0.00 -3.75 -0.02 0.00 0.01 0.00 0.00 72.50 68.75 3kj7 s THR 577 CO 0.00 -0.48 -0.12 -0.13 -0.69 0.00 0.00 174.62 173.20 3kj7 s ARG 578 N -3.84 3.43 0.11 4.92 0.52 -1.26 -1.27 118.95 121.56 3kj7 s ARG 578 Ca 0.48 -0.66 0.06 0.00 -0.52 0.00 0.00 55.73 55.09 3kj7 s ARG 578 Cb -0.10 -2.68 -0.04 0.00 0.52 0.00 0.00 34.95 32.66 3kj7 s ARG 578 CO 0.32 0.22 -0.15 0.15 0.02 0.00 0.00 175.30 175.87 3kj7 s LYS 579 N 0.34 1.00 0.91 3.54 1.02 -0.65 -4.95 119.74 120.94 3kj7 s LYS 579 Ca -0.10 -1.17 -0.10 0.00 0.02 0.00 0.00 55.97 54.62 3kj7 s LYS 579 Cb -0.16 -0.96 0.14 0.00 -0.52 0.00 0.00 37.83 36.34 3kj7 s LYS 579 CO 0.05 0.20 1.16 -2.14 -0.92 0.00 0.00 175.35 173.69 3kj7 s PRO 580 N -2.38 1.02 0.00 -1.68 0.02 -1.26 -0.14 135.00 130.59 3kj7 s PRO 580 Ca 0.06 1.59 0.23 0.00 0.02 0.00 0.00 61.00 62.91 3kj7 s PRO 580 Cb -0.07 -1.72 1.33 0.00 0.02 0.00 0.00 34.50 34.06 3kj7 s PRO 580 CO 0.03 -2.64 1.76 1.33 -0.33 0.00 0.00 177.00 177.16 3kj7 n VAL 581 N -4.18 0.09 0.50 3.83 0.24 -1.26 -1.77 118.33 115.78 3kj7 n VAL 581 Ca 0.12 0.02 0.13 0.00 -2.04 0.00 0.00 64.34 62.57 3kj7 n VAL 581 Cb 0.52 -0.65 0.32 0.00 -1.47 0.00 0.00 33.84 32.55 3kj7 n VAL 581 CO 0.00 0.00 0.00 0.71 -2.14 0.00 0.00 176.83 175.40 3kj7 h THR 582 N 0.00 0.00 -0.63 3.34 1.35 -1.96 -3.35 112.91 111.66 3kj7 h THR 582 Ca 0.00 -0.63 -0.21 0.00 -0.55 0.00 0.00 66.41 65.02 3kj7 h THR 582 Cb 0.06 1.60 -0.12 0.00 -1.73 0.00 0.00 68.15 67.96 3kj7 h THR 582 CO 0.00 0.00 0.26 -0.62 -0.25 0.00 0.00 175.52 174.91 3kj7 n GLU 583 N -2.49 3.11 0.28 4.72 -0.58 -0.73 -4.67 120.64 120.28 3kj7 n GLU 583 Ca 0.05 -2.50 0.11 0.00 -0.42 0.00 0.00 57.16 54.40 3kj7 n GLU 583 Cb 0.46 -2.04 0.76 0.00 -0.57 0.00 0.00 31.44 30.05 3kj7 n GLU 583 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 3kj7 h ALA 584 N 2.43 1.78 0.00 0.62 0.00 -1.78 -1.91 119.26 120.40 3kj7 h ALA 584 Ca 0.25 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.16 3kj7 h ALA 584 Cb 2.11 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.90 3kj7 h ALA 584 CO 0.65 0.01 0.00 0.37 0.00 0.00 0.00 179.25 180.27 3kj7 h GLN 585 N 0.00 0.00 -0.03 0.00 5.75 -1.94 -2.86 115.11 116.02 3kj7 h GLN 585 Ca -0.00 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.50 3kj7 h GLN 585 Cb 0.01 0.00 0.00 0.00 1.07 0.00 0.00 27.48 28.56 3kj7 h GLN 585 CO 0.00 0.00 0.00 -1.13 -2.65 0.00 0.00 178.83 175.05 3kj7 n SER 586 N -2.99 1.64 -3.07 -0.69 3.41 -0.76 -4.82 113.62 106.34 3kj7 n SER 586 Ca 0.00 -1.36 -0.18 0.00 -0.26 0.00 0.00 58.87 57.08 3kj7 n SER 586 Cb 0.25 -0.02 -0.02 0.00 -0.26 0.00 0.00 64.21 64.17 3kj7 n SER 586 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3kj7 s HIS 588 N -1.19 1.68 0.01 0.00 -0.00 -1.22 -4.70 115.29 109.87 3kj7 s HIS 588 Ca 0.35 -0.79 0.07 0.00 -0.00 0.00 0.00 55.06 54.68 3kj7 s HIS 588 Cb 0.26 -0.94 -0.24 0.00 -0.00 0.00 0.00 32.58 31.66 3kj7 s HIS 588 CO -0.11 0.12 0.87 -0.07 -0.00 0.00 0.00 174.74 175.56 3kj7 h LEU 589 N 2.44 0.10 -7.37 5.38 3.38 -0.58 -3.43 115.31 115.22 3kj7 h LEU 589 Ca -0.39 -0.15 0.26 0.00 0.09 0.00 0.00 57.88 57.70 3kj7 h LEU 589 Cb 1.22 -0.03 -0.11 0.00 0.09 0.00 0.00 40.66 41.83 3kj7 h LEU 589 CO 0.65 1.13 0.69 0.00 0.09 0.00 0.00 178.44 181.01 3kj7 s ALA 590 N -2.63 -2.01 -0.17 1.53 0.00 -1.21 -5.01 121.76 112.26 3kj7 s ALA 590 Ca -0.05 0.52 -0.06 0.00 0.00 0.00 0.00 51.96 52.38 3kj7 s ALA 590 Cb 0.08 0.45 -0.04 0.00 0.00 0.00 0.00 23.12 23.62 3kj7 s ALA 590 CO 0.83 -1.03 0.02 0.08 0.00 0.00 0.00 175.76 175.66 3kj7 s VAL 591 N -2.76 4.42 -0.00 0.00 1.01 -1.26 -1.20 120.40 120.61 3kj7 s VAL 591 Ca 0.13 -0.17 -0.01 0.00 0.00 0.00 0.00 61.98 61.94 3kj7 s VAL 591 Cb 0.02 -2.97 -0.04 0.00 0.00 0.00 0.00 36.38 33.40 3kj7 s VAL 591 CO -0.02 0.48 0.09 0.00 0.00 0.00 0.00 175.10 175.66 3kj7 s ALA 592 N 0.28 3.63 0.29 5.51 0.00 0.13 -4.93 121.76 126.67 3kj7 s ALA 592 Ca 0.01 -0.86 -0.29 0.00 0.00 0.00 0.00 51.96 50.82 3kj7 s ALA 592 Cb -0.13 -1.62 -0.10 0.00 0.00 0.00 0.00 23.12 21.27 3kj7 s ALA 592 CO 0.01 0.70 1.19 -1.25 0.00 0.00 0.00 175.76 176.41 3kj7 s PRO 593 N -1.76 4.51 0.57 0.00 0.04 -1.26 -1.50 135.00 135.60 3kj7 s PRO 593 Ca 0.23 1.97 -0.20 0.00 0.04 0.00 0.00 61.00 63.05 3kj7 s PRO 593 Cb -0.12 -3.15 -0.05 0.00 0.04 0.00 0.00 34.50 31.22 3kj7 s PRO 593 CO 0.14 0.03 1.07 0.09 0.04 0.00 0.00 177.00 178.38 3kj7 n ASN 594 N 1.18 1.33 -4.61 6.66 3.02 -1.26 -4.51 115.26 117.06 3kj7 n ASN 594 Ca -0.00 0.88 -0.42 0.00 -0.03 0.00 0.00 54.58 55.00 3kj7 n ASN 594 Cb 0.44 -1.43 0.00 0.00 -0.61 0.00 0.00 39.78 38.18 3kj7 n ASN 594 CO 0.00 0.00 0.00 1.41 -2.62 0.00 0.00 177.26 176.05 3kj7 n HIS 595 N -1.42 1.31 -3.90 3.10 8.25 -1.26 -4.69 115.22 116.61 3kj7 n HIS 595 Ca 0.12 0.59 -0.10 0.00 -0.26 0.00 0.00 57.72 58.07 3kj7 n HIS 595 Cb 0.46 -2.25 -0.09 0.00 1.12 0.00 0.00 29.99 29.22 3kj7 n HIS 595 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3kj7 s ALA 596 N -1.22 -0.17 0.11 -1.41 0.00 -0.50 -0.96 121.76 117.62 3kj7 s ALA 596 Ca 0.61 -0.41 -0.30 0.00 0.00 0.00 0.00 51.96 51.86 3kj7 s ALA 596 Cb -0.59 0.21 -0.07 0.00 0.00 0.00 0.00 23.12 22.68 3kj7 s ALA 596 CO 0.58 -0.29 1.20 0.08 0.00 0.00 0.00 175.76 177.33 3kj7 s VAL 597 N -2.24 3.86 0.19 0.00 1.01 0.45 -0.54 120.40 123.13 3kj7 s VAL 597 Ca -0.08 1.40 0.11 0.00 0.00 0.00 0.00 61.98 63.42 3kj7 s VAL 597 Cb -0.03 -3.90 -0.04 0.00 0.00 0.00 0.00 36.38 32.41 3kj7 s VAL 597 CO -0.03 0.15 -0.24 0.68 0.00 0.00 0.00 175.10 175.66 3kj7 s VAL 598 N 0.68 2.32 0.34 2.92 -7.23 -0.76 -0.02 120.40 118.64 3kj7 s VAL 598 Ca 0.57 -2.01 -0.10 0.00 -1.81 0.00 0.00 61.98 58.63 3kj7 s VAL 598 Cb -0.31 -2.10 0.02 0.00 0.56 0.00 0.00 36.38 34.55 3kj7 s VAL 598 CO 0.32 -0.12 0.60 -0.94 -0.31 0.00 0.00 175.10 174.64 3kj7 s SER 599 N -2.64 0.35 0.45 4.85 1.04 -0.85 -3.10 113.70 113.80 3kj7 s SER 599 Ca 0.20 -1.21 -0.23 0.00 0.48 0.00 0.00 55.95 55.19 3kj7 s SER 599 Cb -0.08 0.72 -0.07 0.00 0.10 0.00 0.00 66.02 66.68 3kj7 s SER 599 CO 0.09 -1.40 1.19 -0.13 0.98 0.00 0.00 173.24 173.97 3kj7 s ARG 600 N -3.05 3.79 0.28 4.02 0.52 -1.26 -0.64 118.95 122.62 3kj7 s ARG 600 Ca 0.23 1.84 0.02 0.00 -0.52 0.00 0.00 55.73 57.30 3kj7 s ARG 600 Cb -0.02 -2.47 0.60 0.00 0.52 0.00 0.00 34.95 33.57 3kj7 s ARG 600 CO 0.14 -0.54 1.80 1.03 0.02 0.00 0.00 175.30 177.75 3kj7 h SER 601 N 2.17 0.78 0.46 0.23 0.87 -1.94 0.78 113.55 116.90 3kj7 h SER 601 Ca -0.49 0.07 0.00 0.00 -1.23 0.00 0.00 61.79 60.14 3kj7 h SER 601 Cb 1.25 -0.07 0.00 0.00 -0.44 0.00 0.00 62.40 63.14 3kj7 h SER 601 CO 0.61 0.36 0.00 -2.24 -0.53 0.00 0.00 176.83 175.02 3kj7 h ASP 602 N 0.83 0.00 -0.00 6.23 3.04 -1.98 -3.08 116.42 121.46 3kj7 h ASP 602 Ca 0.51 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 54.30 3kj7 h ASP 602 Cb 0.65 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 38.94 3kj7 h ASP 602 CO -0.32 0.00 -0.50 0.54 -2.04 0.00 0.00 179.24 176.91 3kj7 n ARG 603 N -2.96 3.22 -0.16 4.15 5.12 0.16 -4.76 116.66 121.42 3kj7 n ARG 603 Ca -0.01 -0.05 -0.03 0.00 -1.93 0.00 0.00 57.85 55.83 3kj7 n ARG 603 Cb 0.17 -1.03 0.06 0.00 -1.16 0.00 0.00 32.46 30.50 3kj7 n ARG 603 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 3kj7 h ALA 604 N 1.61 0.60 -0.68 7.54 0.00 -1.15 -0.17 119.26 127.01 3kj7 h ALA 604 Ca 0.00 0.07 -0.03 0.00 0.00 0.00 0.00 54.91 54.95 3kj7 h ALA 604 Cb 0.27 0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.09 3kj7 h ALA 604 CO 0.00 -0.24 0.29 0.00 0.00 0.00 0.00 179.25 179.31 3kj7 h ALA 605 N 1.35 0.89 -0.02 0.00 0.00 -1.86 -1.12 119.26 118.49 3kj7 h ALA 605 Ca 0.24 -0.17 -0.26 0.00 0.00 0.00 0.00 54.91 54.73 3kj7 h ALA 605 Cb 0.27 -0.27 0.02 0.00 0.00 0.00 0.00 17.79 17.81 3kj7 h ALA 605 CO -0.26 0.49 -0.99 1.25 0.00 0.00 0.00 179.25 179.73 3kj7 h HIS 606 N 0.96 1.00 -0.79 0.00 6.17 -1.78 -2.21 115.15 118.51 3kj7 h HIS 606 Ca 0.23 -0.53 0.03 0.00 0.71 0.00 0.00 60.37 60.82 3kj7 h HIS 606 Cb 0.18 -0.12 -0.05 0.00 2.52 0.00 0.00 27.41 29.94 3kj7 h HIS 606 CO 0.01 1.36 0.50 0.28 0.71 0.00 0.00 177.93 180.79 3kj7 h VAL 607 N 0.40 1.11 -0.16 5.26 2.07 -0.95 -2.28 116.25 121.70 3kj7 h VAL 607 Ca -0.11 -0.33 -0.01 0.00 0.82 0.00 0.00 66.70 67.07 3kj7 h VAL 607 Cb 1.64 0.06 -0.01 0.00 -1.52 0.00 0.00 31.29 31.46 3kj7 h VAL 607 CO 0.19 0.18 0.07 -0.08 0.02 0.00 0.00 177.57 177.95 3kj7 h GLU 608 N 0.97 0.24 0.02 1.57 4.81 -1.13 -1.65 114.58 119.41 3kj7 h GLU 608 Ca 0.32 -0.04 0.02 0.00 -0.13 0.00 0.00 59.36 59.53 3kj7 h GLU 608 Cb 0.02 -0.04 -0.03 0.00 0.63 0.00 0.00 28.75 29.33 3kj7 h GLU 608 CO -0.12 0.30 -0.17 0.37 -0.73 0.00 0.00 179.01 178.66 3kj7 h GLN 609 N 0.11 -0.29 -0.71 1.92 4.15 -1.23 -2.00 115.11 117.07 3kj7 h GLN 609 Ca 0.05 0.02 0.03 0.00 0.77 0.00 0.00 58.65 59.52 3kj7 h GLN 609 Cb 0.15 0.06 -0.04 0.00 0.21 0.00 0.00 27.48 27.86 3kj7 h GLN 609 CO -0.01 -0.19 0.45 0.28 -1.93 0.00 0.00 178.83 177.44 3kj7 h VAL 610 N -0.30 1.11 -0.36 2.39 2.07 -1.40 -2.78 116.25 116.99 3kj7 h VAL 610 Ca 0.05 -0.31 -0.07 0.00 0.82 0.00 0.00 66.70 67.19 3kj7 h VAL 610 Cb 0.36 0.14 -0.01 0.00 -1.52 0.00 0.00 31.29 30.26 3kj7 h VAL 610 CO -0.15 0.16 -0.04 -0.07 0.02 0.00 0.00 177.57 177.49 3kj7 h LEU 611 N 0.89 0.66 -0.94 2.57 4.07 -1.05 0.23 115.31 121.74 3kj7 h LEU 611 Ca 0.28 -0.33 0.06 0.00 0.08 0.00 0.00 57.88 57.97 3kj7 h LEU 611 Cb -0.01 -0.18 -0.06 0.00 1.08 0.00 0.00 40.66 41.49 3kj7 h LEU 611 CO -0.10 0.84 0.60 -0.07 -1.08 0.00 0.00 178.44 178.63 3kj7 h LEU 612 N 0.48 0.95 -0.32 1.67 3.38 -1.31 -0.14 115.31 120.01 3kj7 h LEU 612 Ca 0.10 0.01 -0.10 0.00 0.09 0.00 0.00 57.88 57.98 3kj7 h LEU 612 Cb 0.52 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 41.08 3kj7 h LEU 612 CO 0.03 0.60 -0.19 -0.74 0.09 0.00 0.00 178.44 178.23 3kj7 h HIS 613 N 1.08 0.80 -0.71 1.13 2.76 -1.23 -2.53 115.15 116.45 3kj7 h HIS 613 Ca 0.41 -0.21 -0.03 0.00 -2.20 0.00 0.00 60.37 58.34 3kj7 h HIS 613 Cb 0.17 -0.18 -0.03 0.00 1.55 0.00 0.00 27.41 28.92 3kj7 h HIS 613 CO -0.02 0.92 0.34 1.96 -1.30 0.00 0.00 177.93 179.84 3kj7 h GLN 614 N 0.45 1.01 -0.03 5.26 1.08 0.06 -2.66 115.11 120.28 3kj7 h GLN 614 Ca 0.07 -0.14 -0.17 0.00 -1.45 0.00 0.00 58.65 56.96 3kj7 h GLN 614 Cb 0.73 -0.19 -0.01 0.00 -0.05 0.00 0.00 27.48 27.96 3kj7 h GLN 614 CO 0.05 0.78 -0.75 -0.56 -0.95 0.00 0.00 178.83 177.40 3kj7 h GLN 615 N 1.00 0.20 -0.59 1.46 3.07 -1.08 0.07 115.11 119.24 3kj7 h GLN 615 Ca 0.25 -0.17 0.12 0.00 0.09 0.00 0.00 58.65 58.93 3kj7 h GLN 615 Cb 0.10 0.04 -0.03 0.00 0.08 0.00 0.00 27.48 27.67 3kj7 h GLN 615 CO -0.03 0.85 0.40 0.00 0.09 0.00 0.00 178.83 180.14 3kj7 h ALA 616 N 1.09 2.15 0.03 0.06 0.00 -1.12 0.28 119.26 121.74 3kj7 h ALA 616 Ca -0.02 -0.01 -0.16 0.00 0.00 0.00 0.00 54.91 54.72 3kj7 h ALA 616 Cb 1.32 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 19.05 3kj7 h ALA 616 CO 0.11 -0.30 -0.83 -0.07 0.00 0.00 0.00 179.25 178.17 3kj7 h LEU 617 N 0.30 0.09 -1.89 0.00 3.38 -1.22 -1.33 115.31 114.64 3kj7 h LEU 617 Ca 0.28 -0.76 0.00 0.00 0.09 0.00 0.00 57.88 57.49 3kj7 h LEU 617 Cb 0.69 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.42 3kj7 h LEU 617 CO -0.06 1.34 0.00 0.49 0.09 0.00 0.00 178.44 180.29 3kj7 n PHE 618 N -4.39 0.00 -0.51 1.13 3.72 -0.01 0.37 117.46 117.76 3kj7 n PHE 618 Ca -0.22 -0.23 0.00 0.00 -0.05 0.00 0.00 57.45 56.95 3kj7 n PHE 618 Cb 0.66 -0.02 0.00 0.00 -0.94 0.00 0.00 39.48 39.17 3kj7 n PHE 618 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3kj7 n GLY 619 N -0.23 -1.50 0.26 1.37 0.00 0.97 -0.26 105.19 105.81 3kj7 n GLY 619 Ca 0.00 -1.57 -0.08 0.00 0.00 0.00 0.00 46.02 44.37 3kj7 n GLY 619 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 3kj7 h LYS 620 N 0.00 -0.17 -1.03 1.61 3.64 -1.80 0.99 116.57 119.80 3kj7 h LYS 620 Ca 0.00 0.01 -0.53 0.00 -1.27 0.00 0.00 60.65 58.86 3kj7 h LYS 620 Cb 0.00 0.04 -0.28 0.00 -0.41 0.00 0.00 32.23 31.58 3kj7 h LYS 620 CO 0.00 -0.11 0.68 0.09 -2.27 0.00 0.00 179.45 177.84 3kj7 n ASN 621 N -4.27 5.13 -4.72 4.20 3.02 -1.26 -4.87 115.26 112.49 3kj7 n ASN 621 Ca -0.01 -3.54 -0.40 0.00 -0.03 0.00 0.00 54.58 50.60 3kj7 n ASN 621 Cb 0.19 -0.88 0.03 0.00 -0.61 0.00 0.00 39.78 38.50 3kj7 n ASN 621 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3kj7 n GLY 622 N -0.89 0.63 0.36 7.41 0.00 0.34 -4.90 105.19 108.14 3kj7 n GLY 622 Ca 0.56 0.12 0.12 0.00 0.00 0.00 0.00 46.02 46.81 3kj7 n GLY 622 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3kj7 h LYS 623 N 1.81 0.77 -0.12 1.61 6.56 -0.32 -3.00 116.57 123.88 3kj7 h LYS 623 Ca -0.49 -0.05 0.00 0.00 -1.06 0.00 0.00 60.65 59.05 3kj7 h LYS 623 Cb 1.30 -0.17 0.00 0.00 -0.57 0.00 0.00 32.23 32.78 3kj7 h LYS 623 CO 0.59 0.51 0.00 0.09 -2.06 0.00 0.00 179.45 178.57 3kj7 n ASN 624 N -4.68 2.20 0.00 0.86 3.02 0.16 -4.89 115.26 111.92 3kj7 n ASN 624 Ca 0.21 -1.84 0.00 0.00 -0.03 0.00 0.00 54.58 52.92 3kj7 n ASN 624 Cb 0.52 -0.08 0.00 0.00 -0.61 0.00 0.00 39.78 39.61 3kj7 n ASN 624 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3kj7 n PRO 626 N -1.46 0.01 0.05 0.00 -0.02 -1.26 -3.03 135.00 129.30 3kj7 n PRO 626 Ca 0.00 0.27 0.00 0.00 -2.02 0.00 0.00 63.50 61.75 3kj7 n PRO 626 Cb 0.00 -1.89 0.00 0.00 -0.02 0.00 0.00 33.50 31.59 3kj7 n PRO 626 CO 0.00 0.00 0.00 -3.47 1.98 0.00 0.00 175.50 174.01 3kj7 n ASP 627 N -1.37 0.39 -0.08 2.55 -0.08 -1.18 -4.88 116.55 111.91 3kj7 n ASP 627 Ca -0.00 0.15 -0.10 0.00 -1.51 0.00 0.00 54.79 53.33 3kj7 n ASP 627 Cb 0.34 -0.05 -0.03 0.00 2.34 0.00 0.00 41.12 43.72 3kj7 n ASP 627 CO 0.00 0.00 0.00 0.29 0.12 0.00 0.00 177.20 177.61 3kj7 n LYS 628 N -3.22 0.47 -3.67 -0.67 5.02 0.11 -5.08 118.16 111.11 3kj7 n LYS 628 Ca 0.00 0.19 -0.11 0.00 -2.02 0.00 0.00 58.31 56.37 3kj7 n LYS 628 Cb 0.14 -1.32 -0.08 0.00 -0.02 0.00 0.00 35.03 33.74 3kj7 n LYS 628 CO 0.00 0.00 0.00 0.12 -0.52 0.00 0.00 177.40 177.00 3kj7 s PHE 629 N -2.76 -0.74 -0.25 2.13 5.36 -0.71 -5.01 117.98 116.00 3kj7 s PHE 629 Ca -0.26 1.66 -0.02 0.00 -0.96 0.00 0.00 56.93 57.34 3kj7 s PHE 629 Cb 0.05 0.34 0.02 0.00 -0.34 0.00 0.00 43.02 43.09 3kj7 s PHE 629 CO 0.38 -0.37 -0.05 0.00 -1.46 0.00 0.00 175.22 173.72 3kj7 h LEU 631 N 8.03 0.00 -3.52 0.00 5.85 -0.95 -3.04 115.31 121.68 3kj7 h LEU 631 Ca -0.33 0.00 -0.02 0.00 0.84 0.00 0.00 57.88 58.37 3kj7 h LEU 631 Cb 1.11 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 42.13 3kj7 h LEU 631 CO 0.58 0.28 0.02 0.49 -0.34 0.00 0.00 178.44 179.47 3kj7 n PHE 632 N -3.55 1.86 -4.36 1.25 3.72 -1.26 -4.72 117.46 110.40 3kj7 n PHE 632 Ca -0.01 -0.81 -0.25 0.00 -0.05 0.00 0.00 57.45 56.33 3kj7 n PHE 632 Cb 0.42 -0.49 -0.12 0.00 -0.94 0.00 0.00 39.48 38.35 3kj7 n PHE 632 CO 0.00 0.00 0.00 0.15 -0.05 0.00 0.00 176.76 176.86 3kj7 s LYS 633 N -2.81 1.32 -0.27 -1.08 -0.14 -1.15 -4.29 119.74 111.32 3kj7 s LYS 633 Ca 0.52 -1.35 0.07 0.00 -1.36 0.00 0.00 55.97 53.85 3kj7 s LYS 633 Cb 0.40 -1.61 0.26 0.00 -1.68 0.00 0.00 37.83 35.20 3kj7 s LYS 633 CO 0.14 0.36 1.20 -1.13 -0.76 0.00 0.00 175.35 175.16 3kj7 n SER 634 N 0.66 -1.18 -3.83 2.83 3.41 -1.26 -4.91 113.62 109.35 3kj7 n SER 634 Ca -0.16 -1.91 -0.27 0.00 -0.26 0.00 0.00 58.87 56.27 3kj7 n SER 634 Cb 0.55 0.65 0.00 0.00 -0.26 0.00 0.00 64.21 65.15 3kj7 n SER 634 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3kj7 n GLU 635 N -0.85 -1.37 -1.44 4.33 1.02 -1.26 -1.38 120.64 119.68 3kj7 n GLU 635 Ca -0.12 0.67 -0.07 0.00 -0.02 0.00 0.00 57.16 57.62 3kj7 n GLU 635 Cb 0.75 -2.33 -0.02 0.00 -0.02 0.00 0.00 31.44 29.81 3kj7 n GLU 635 CO 0.00 0.00 0.00 2.41 1.18 0.00 0.00 177.13 180.72 3kj7 n THR 636 N -2.95 -0.06 1.12 2.62 -1.04 -1.26 -4.80 114.28 107.91 3kj7 n THR 636 Ca -0.29 0.00 0.13 0.00 -2.04 0.00 0.00 64.05 61.84 3kj7 n THR 636 Cb 0.68 -0.70 0.29 0.00 -1.82 0.00 0.00 70.33 68.78 3kj7 n THR 636 CO 0.00 0.00 0.00 0.29 -0.64 0.00 0.00 175.07 174.72 3kj7 n LYS 637 N -1.68 2.06 -3.92 -2.82 5.02 -0.48 -4.87 118.16 111.47 3kj7 n LYS 637 Ca -0.07 -1.55 -0.26 0.00 -2.02 0.00 0.00 58.31 54.41 3kj7 n LYS 637 Cb 0.29 -1.47 -0.01 0.00 -0.02 0.00 0.00 35.03 33.82 3kj7 n LYS 637 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 3kj7 n ASN 638 N 0.85 -0.96 -4.68 4.39 5.03 -1.26 -4.93 115.26 113.70 3kj7 n ASN 638 Ca 0.17 -1.01 -0.38 0.00 0.87 0.00 0.00 54.58 54.22 3kj7 n ASN 638 Cb 0.49 -3.07 -0.07 0.00 -1.02 0.00 0.00 39.78 36.11 3kj7 n ASN 638 CO 0.00 0.00 0.00 -0.76 -1.83 0.00 0.00 177.26 174.67 3kj7 s LEU 639 N -6.92 4.19 0.00 3.41 1.43 -1.26 -4.40 118.68 115.14 3kj7 s LEU 639 Ca 0.07 0.67 0.00 0.00 -1.03 0.00 0.00 54.13 53.83 3kj7 s LEU 639 Cb -0.03 -2.64 0.00 0.00 0.03 0.00 0.00 46.19 43.56 3kj7 s LEU 639 CO 0.89 -0.09 0.00 0.18 0.23 0.00 0.00 176.35 177.56 3kj7 n LEU 640 N 4.32 0.00 -4.13 1.79 4.77 -1.26 -4.77 117.00 117.72 3kj7 n LEU 640 Ca -0.07 0.00 -0.09 0.00 -0.03 0.00 0.00 56.01 55.82 3kj7 n LEU 640 Cb 0.51 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.50 3kj7 n LEU 640 CO 0.42 0.00 -0.38 -0.36 -1.33 0.00 0.00 177.39 175.74 3kj7 s PHE 641 N 0.00 0.72 0.30 -1.77 0.08 -1.26 -4.46 117.98 111.59 3kj7 s PHE 641 Ca 0.00 -0.95 -0.29 0.00 0.12 0.00 0.00 56.93 55.81 3kj7 s PHE 641 Cb 0.00 -0.45 -0.10 0.00 -0.57 0.00 0.00 43.02 41.90 3kj7 s PHE 641 CO 0.00 -0.24 1.34 -0.80 -0.10 0.00 0.00 175.22 175.43 3kj7 s ASN 642 N -2.89 6.74 0.45 1.36 0.01 -1.26 -4.48 114.94 114.88 3kj7 s ASN 642 Ca 0.08 2.68 0.31 0.00 -0.71 0.00 0.00 52.86 55.22 3kj7 s ASN 642 Cb 0.05 -2.64 1.48 0.00 0.41 0.00 0.00 41.25 40.55 3kj7 s ASN 642 CO -0.06 -0.58 1.94 0.44 -1.51 0.00 0.00 177.10 177.32 3kj7 h ASP 643 N 3.90 0.00 -0.19 -1.22 3.32 -1.90 -1.58 116.42 118.75 3kj7 h ASP 643 Ca -0.48 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.57 3kj7 h ASP 643 Cb 1.22 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.77 3kj7 h ASP 643 CO 0.69 0.00 0.00 -0.46 -1.72 0.00 0.00 179.24 177.75 3kj7 n ASN 644 N -2.69 1.58 -4.67 6.45 6.94 -1.26 -4.76 115.26 116.85 3kj7 n ASN 644 Ca -0.00 -1.75 -0.42 0.00 -0.02 0.00 0.00 54.58 52.38 3kj7 n ASN 644 Cb 0.17 -0.12 -0.03 0.00 -2.36 0.00 0.00 39.78 37.44 3kj7 n ASN 644 CO 0.00 0.00 0.00 -0.89 -1.03 0.00 0.00 177.26 175.34 3kj7 s THR 645 N -1.75 3.54 0.01 5.53 2.01 -0.60 -4.35 115.64 120.03 3kj7 s THR 645 Ca 0.30 0.73 -0.16 0.00 0.31 0.00 0.00 61.69 62.87 3kj7 s THR 645 Cb 0.16 -3.47 -0.35 0.00 0.01 0.00 0.00 72.50 68.85 3kj7 s THR 645 CO 0.24 -0.05 0.94 -0.08 -0.69 0.00 0.00 174.62 174.97 3kj7 h GLU 646 N 9.21 0.51 -2.54 4.92 4.81 -1.17 -3.45 114.58 126.86 3kj7 h GLU 646 Ca -0.39 -0.86 0.14 0.00 -0.13 0.00 0.00 59.36 58.11 3kj7 h GLU 646 Cb 1.18 0.32 -0.08 0.00 0.63 0.00 0.00 28.75 30.80 3kj7 h GLU 646 CO 0.95 1.41 0.40 0.00 -0.73 0.00 0.00 179.01 181.04 3kj7 s LEU 648 N -2.90 4.16 0.05 0.00 1.43 -1.26 -0.81 118.68 119.35 3kj7 s LEU 648 Ca 0.11 0.62 0.02 0.00 -1.03 0.00 0.00 54.13 53.85 3kj7 s LEU 648 Cb -0.03 -2.63 -0.04 0.00 0.03 0.00 0.00 46.19 43.52 3kj7 s LEU 648 CO 0.02 -0.13 0.08 0.00 0.23 0.00 0.00 176.35 176.56 3kj7 s ALA 649 N 1.44 3.58 0.57 4.21 0.00 0.14 -4.64 121.76 127.06 3kj7 s ALA 649 Ca 0.22 -0.95 -0.19 0.00 0.00 0.00 0.00 51.96 51.04 3kj7 s ALA 649 Cb -0.15 -1.50 -0.04 0.00 0.00 0.00 0.00 23.12 21.43 3kj7 s ALA 649 CO 0.09 0.73 1.21 0.15 0.00 0.00 0.00 175.76 177.94 3kj7 s LYS 650 N -2.14 3.09 -0.17 0.00 1.02 0.02 -1.47 119.74 120.10 3kj7 s LYS 650 Ca 0.27 1.83 -0.20 0.00 0.02 0.00 0.00 55.97 57.89 3kj7 s LYS 650 Cb -0.12 -2.00 -0.17 0.00 -0.52 0.00 0.00 37.83 35.02 3kj7 s LYS 650 CO 0.19 -1.11 0.29 -0.07 -0.92 0.00 0.00 175.35 173.73 3kj7 h LEU 651 N 1.06 0.00 -0.58 3.17 3.38 -1.89 -3.46 115.31 116.99 3kj7 h LEU 651 Ca -0.50 -0.52 0.00 0.00 0.09 0.00 0.00 57.88 56.95 3kj7 h LEU 651 Cb 1.29 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.04 3kj7 h LEU 651 CO 0.56 1.13 -0.48 0.61 0.09 0.00 0.00 178.44 180.35 3kj7 n GLY 652 N 1.55 -4.06 1.61 0.83 0.00 -1.26 -4.84 105.19 99.02 3kj7 n GLY 652 Ca -0.19 -0.79 0.00 0.00 0.00 0.00 0.00 46.02 45.05 3kj7 n GLY 652 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kj7 n GLY 653 N -0.36 0.77 3.70 -0.02 0.00 -1.26 -4.36 105.19 103.66 3kj7 n GLY 653 Ca 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.76 3kj7 n GLY 653 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3kj7 n ARG 654 N -2.14 -0.89 -2.51 1.61 1.74 -1.26 -4.79 116.66 108.42 3kj7 n ARG 654 Ca 0.00 0.32 -0.37 0.00 -0.77 0.00 0.00 57.85 57.03 3kj7 n ARG 654 Cb 0.00 -1.68 -0.04 0.00 -1.02 0.00 0.00 32.46 29.72 3kj7 n ARG 654 CO 0.00 0.00 0.00 -1.25 -1.52 0.00 0.00 177.63 174.86 3kj7 s PRO 655 N -5.30 4.19 0.94 5.56 0.04 -1.26 -5.04 135.00 134.12 3kj7 s PRO 655 Ca 0.15 1.57 -0.11 0.00 0.04 0.00 0.00 61.00 62.64 3kj7 s PRO 655 Cb -0.08 -2.60 0.15 0.00 0.04 0.00 0.00 34.50 32.01 3kj7 s PRO 655 CO 0.71 -0.13 1.09 0.95 0.04 0.00 0.00 177.00 179.66 3kj7 s THR 656 N -1.59 2.50 0.38 1.26 -4.23 -1.26 -4.55 115.64 108.15 3kj7 s THR 656 Ca 0.57 0.16 0.05 0.00 -1.18 0.00 0.00 61.69 61.29 3kj7 s THR 656 Cb -0.24 -2.53 0.25 0.00 1.34 0.00 0.00 72.50 71.33 3kj7 s THR 656 CO 0.30 -0.21 2.02 0.10 -0.54 0.00 0.00 174.62 176.28 3kj7 h TYR 657 N -1.74 0.60 -0.39 3.99 -0.00 -1.93 -0.88 116.97 116.61 3kj7 h TYR 657 Ca -0.50 0.00 -0.05 0.00 0.00 0.00 0.00 58.73 58.18 3kj7 h TYR 657 Cb 1.29 -0.20 -0.02 0.00 0.00 0.00 0.00 36.73 37.80 3kj7 h TYR 657 CO 0.41 0.41 0.06 0.93 -0.00 0.00 0.00 178.16 179.97 3kj7 h GLU 658 N 0.64 0.65 -0.68 0.10 5.08 -1.95 -1.46 114.58 116.95 3kj7 h GLU 658 Ca 0.17 -0.18 -0.05 0.00 -1.00 0.00 0.00 59.36 58.30 3kj7 h GLU 658 Cb -0.02 -0.08 -0.03 0.00 0.50 0.00 0.00 28.75 29.12 3kj7 h GLU 658 CO -0.03 0.70 0.22 0.93 -1.00 0.00 0.00 179.01 179.83 3kj7 h GLU 659 N 0.50 1.04 -0.40 2.33 5.08 -1.82 0.84 114.58 122.15 3kj7 h GLU 659 Ca 0.12 -0.21 -0.02 0.00 -1.00 0.00 0.00 59.36 58.25 3kj7 h GLU 659 Cb 0.37 -0.16 -0.02 0.00 0.50 0.00 0.00 28.75 29.44 3kj7 h GLU 659 CO 0.01 0.89 0.17 -0.92 -1.00 0.00 0.00 179.01 178.15 3kj7 h TYR 660 N 1.00 0.60 0.02 4.33 3.20 -1.01 -3.14 116.97 121.97 3kj7 h TYR 660 Ca 0.22 -0.04 -0.20 0.00 3.14 0.00 0.00 58.73 61.85 3kj7 h TYR 660 Cb 0.28 -0.18 -0.02 0.00 1.54 0.00 0.00 36.73 38.35 3kj7 h TYR 660 CO 0.02 0.52 -0.94 -0.07 -1.64 0.00 0.00 178.16 176.05 3kj7 h LEU 661 N 0.50 0.11 0.00 2.82 3.38 -1.15 -3.47 115.31 117.50 3kj7 h LEU 661 Ca 0.13 -0.10 0.00 0.00 0.09 0.00 0.00 57.88 58.00 3kj7 h LEU 661 Cb 0.17 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 40.89 3kj7 h LEU 661 CO -0.01 0.99 0.00 0.61 0.09 0.00 0.00 178.44 180.11 3kj7 n GLY 662 N 1.10 0.39 0.29 0.83 0.00 0.28 -4.49 105.19 103.58 3kj7 n GLY 662 Ca -0.02 -1.45 -0.02 0.00 0.00 0.00 0.00 46.02 44.53 3kj7 n GLY 662 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 3kj7 h THR 663 N 0.00 1.07 -0.26 2.61 2.02 -1.88 -1.82 112.91 114.64 3kj7 h THR 663 Ca 0.00 -0.31 0.03 0.00 0.77 0.00 0.00 66.41 66.90 3kj7 h THR 663 Cb 0.00 0.09 -0.04 0.00 -1.74 0.00 0.00 68.15 66.46 3kj7 h THR 663 CO 0.00 0.16 -0.26 -0.08 0.37 0.00 0.00 175.52 175.71 3kj7 h GLU 664 N 0.90 -0.12 -0.78 6.66 4.81 -1.94 -1.80 114.58 122.31 3kj7 h GLU 664 Ca 0.32 0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.56 3kj7 h GLU 664 Cb 0.08 0.03 -0.04 0.00 0.63 0.00 0.00 28.75 29.45 3kj7 h GLU 664 CO -0.14 -0.08 0.50 -0.92 -0.73 0.00 0.00 179.01 177.64 3kj7 h TYR 665 N -0.13 0.99 -0.67 0.92 3.20 -1.71 -2.49 116.97 117.08 3kj7 h TYR 665 Ca 0.04 0.01 0.05 0.00 3.14 0.00 0.00 58.73 61.98 3kj7 h TYR 665 Cb 0.25 -0.33 -0.05 0.00 1.54 0.00 0.00 36.73 38.13 3kj7 h TYR 665 CO -0.75 0.64 0.38 0.28 -1.64 0.00 0.00 178.16 177.07 3kj7 h VAL 666 N 1.06 1.00 -0.17 1.81 2.07 -1.15 -0.30 116.25 120.56 3kj7 h VAL 666 Ca 0.28 -0.25 -0.16 0.00 0.82 0.00 0.00 66.70 67.40 3kj7 h VAL 666 Cb -0.09 0.22 -0.01 0.00 -1.52 0.00 0.00 31.29 29.89 3kj7 h VAL 666 CO -0.06 0.13 -0.54 0.71 0.02 0.00 0.00 177.57 177.83 3kj7 h THR 667 N 0.72 1.33 -0.64 2.57 1.35 -1.15 -1.53 112.91 115.55 3kj7 h THR 667 Ca 0.29 -1.80 0.00 0.00 -0.55 0.00 0.00 66.41 64.36 3kj7 h THR 667 Cb 0.14 1.78 -0.03 0.00 -1.73 0.00 0.00 68.15 68.32 3kj7 h THR 667 CO -0.16 0.55 0.41 0.00 -0.25 0.00 0.00 175.52 176.07 3kj7 h ALA 668 N 1.02 0.82 0.03 6.62 0.00 -0.93 -0.08 119.26 126.73 3kj7 h ALA 668 Ca 0.01 -0.06 -0.00 0.00 0.00 0.00 0.00 54.91 54.86 3kj7 h ALA 668 Cb 1.07 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 18.60 3kj7 h ALA 668 CO 0.10 0.27 -0.01 0.82 0.00 0.00 0.00 179.25 180.43 3kj7 h ILE 669 N 0.87 1.17 -0.55 0.00 2.04 -0.93 -2.13 117.51 117.98 3kj7 h ILE 669 Ca 0.23 -0.61 0.09 0.00 1.00 0.00 0.00 64.86 65.58 3kj7 h ILE 669 Cb -0.06 1.58 -0.07 0.00 -0.74 0.00 0.00 36.82 37.52 3kj7 h ILE 669 CO -0.05 0.16 0.13 0.00 0.00 0.00 0.00 178.15 178.39 3kj7 h ALA 670 N 0.66 0.65 -0.69 1.87 0.00 -1.13 0.93 119.26 121.55 3kj7 h ALA 670 Ca -0.00 0.11 0.01 0.00 0.00 0.00 0.00 54.91 55.03 3kj7 h ALA 670 Cb 0.29 0.14 -0.04 0.00 0.00 0.00 0.00 17.79 18.18 3kj7 h ALA 670 CO 0.01 -0.29 0.45 -0.91 0.00 0.00 0.00 179.25 178.51 3kj7 h ASN 671 N 0.27 0.77 -0.26 0.00 2.35 -0.99 -2.72 115.58 115.00 3kj7 h ASN 671 Ca 0.28 -0.02 -0.04 0.00 -0.55 0.00 0.00 56.30 55.97 3kj7 h ASN 671 Cb 0.38 -0.19 -0.01 0.00 0.05 0.00 0.00 38.32 38.56 3kj7 h ASN 671 CO -0.35 0.55 0.01 0.25 -1.65 0.00 0.00 177.43 176.24 3kj7 h LEU 672 N 0.91 0.44 -1.11 1.61 5.85 -0.67 -3.04 115.31 119.31 3kj7 h LEU 672 Ca 0.26 -0.30 0.00 0.00 0.84 0.00 0.00 57.88 58.68 3kj7 h LEU 672 Cb -0.08 -0.12 0.00 0.00 0.37 0.00 0.00 40.66 40.83 3kj7 h LEU 672 CO -0.07 0.63 0.00 0.29 -0.34 0.00 0.00 178.44 178.96 3kj7 n LYS 673 N -4.63 0.13 0.14 1.25 4.76 0.25 -1.49 118.16 118.57 3kj7 n LYS 673 Ca -0.03 0.58 0.11 0.00 -2.87 0.00 0.00 58.31 56.10 3kj7 n LYS 673 Cb 0.24 -1.88 0.52 0.00 -1.84 0.00 0.00 35.03 32.07 3kj7 n LYS 673 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 3kj7 n LYS 674 N -2.14 0.17 0.05 1.97 5.02 -1.05 -2.78 118.16 119.39 3kj7 n LYS 674 Ca -0.01 0.50 -0.03 0.00 -2.02 0.00 0.00 58.31 56.76 3kj7 n LYS 674 Cb 0.06 -1.89 -0.08 0.00 -0.02 0.00 0.00 35.03 33.10 3kj7 n LYS 674 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3kj7 n SER 676 N -3.10 2.00 -0.00 0.00 7.64 -1.12 -5.02 113.62 114.02 3kj7 n SER 676 Ca -0.06 0.27 0.01 0.00 1.01 0.00 0.00 58.87 60.10 3kj7 n SER 676 Cb 0.89 -0.86 -0.02 0.00 -1.01 0.00 0.00 64.21 63.21 3kj7 n SER 676 CO 0.00 0.00 0.00 -0.11 -3.01 0.00 0.00 175.04 171.92 3kj7 n LEU 681 N -3.88 0.06 -3.95 -3.43 7.94 -1.26 -5.14 117.00 107.34 3kj7 n LEU 681 Ca -0.35 -0.23 -0.29 0.00 -1.11 0.00 0.00 56.01 54.02 3kj7 n LEU 681 Cb 0.89 0.00 -0.16 0.00 0.53 0.00 0.00 43.42 44.68 3kj7 n LEU 681 CO 0.29 0.02 -0.45 -1.83 -1.11 0.00 0.00 177.39 174.30 3kj7 s GLU 682 N -1.77 1.82 -0.13 1.96 -1.05 -1.26 -5.11 118.70 113.16 3kj7 s GLU 682 Ca -0.00 -0.62 -0.33 0.00 -0.15 0.00 0.00 54.97 53.86 3kj7 s GLU 682 Cb 0.02 -2.14 0.13 0.00 -0.44 0.00 0.00 34.13 31.70 3kj7 s GLU 682 CO 0.12 -0.38 1.16 0.00 0.95 0.00 0.00 175.26 177.11 3kj7 s ALA 683 N 1.52 -2.04 0.17 -0.84 0.00 -1.26 -5.14 121.76 114.17 3kj7 s ALA 683 Ca 0.01 1.37 -0.30 0.00 0.00 0.00 0.00 51.96 53.04 3kj7 s ALA 683 Cb -0.15 0.04 -0.08 0.00 0.00 0.00 0.00 23.12 22.93 3kj7 s ALA 683 CO -0.08 -0.67 1.18 0.00 0.00 0.00 0.00 175.76 176.18 3kj7 h ALA 685 N 5.40 1.03 -0.02 0.00 0.00 -1.90 -3.50 119.26 120.28 3kj7 h ALA 685 Ca -0.44 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.42 3kj7 h ALA 685 Cb 1.21 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.00 3kj7 h ALA 685 CO 0.75 0.06 0.00 1.19 0.00 0.00 0.00 179.25 181.25