#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1mr1 s PRO 320 N 0.00 3.75 0.27 0.00 0.02 -1.26 -4.88 135.00 132.90 1mr1 s PRO 320 Ca 0.00 1.18 0.00 0.00 0.02 0.00 0.00 61.00 62.20 1mr1 s PRO 320 Cb 0.00 -3.97 0.55 0.00 0.02 0.00 0.00 34.50 31.10 1mr1 s PRO 320 CO 0.00 -1.34 1.79 1.49 -0.33 0.00 0.00 177.00 178.61 1mr1 h GLU 321 N 10.14 0.75 -6.57 5.54 4.81 -2.01 -3.40 114.58 123.86 1mr1 h GLU 321 Ca -0.28 -0.05 -0.68 0.00 -0.13 0.00 0.00 59.36 58.23 1mr1 h GLU 321 Cb 1.11 -0.17 -0.28 0.00 0.63 0.00 0.00 28.75 30.04 1mr1 h GLU 321 CO 1.05 0.50 -0.88 0.71 -0.73 0.00 0.00 179.01 179.66 1mr1 s TYR 322 N -5.96 2.24 -1.83 0.92 1.51 -1.26 -1.90 117.35 111.08 1mr1 s TYR 322 Ca -0.12 -0.42 0.27 0.00 -1.01 0.00 0.00 57.07 55.80 1mr1 s TYR 322 Cb 0.22 -1.40 0.93 0.00 -0.11 0.00 0.00 41.96 41.60 1mr1 s TYR 322 CO 0.79 0.04 1.67 -2.67 -1.11 0.00 0.00 175.55 174.27 1mr1 n TRP 323 N 2.14 0.00 -3.65 2.71 4.27 -0.01 -4.66 117.44 118.24 1mr1 n TRP 323 Ca -0.16 0.00 -0.02 0.00 -3.89 0.00 0.00 57.50 53.43 1mr1 n TRP 323 Cb 0.52 -0.12 -0.02 0.00 -1.36 0.00 0.00 31.31 30.33 1mr1 n TRP 323 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 1mr1 s SER 325 N -1.89 1.14 -0.10 0.00 1.04 -0.94 -0.58 113.70 112.38 1mr1 s SER 325 Ca 0.12 -0.17 -0.01 0.00 0.48 0.00 0.00 55.95 56.37 1mr1 s SER 325 Cb -0.01 -0.35 -0.03 0.00 0.10 0.00 0.00 66.02 65.73 1mr1 s SER 325 CO -0.03 0.04 -0.06 -0.63 0.98 0.00 0.00 173.24 173.55 1mr1 s ILE 326 N 0.32 3.76 -0.13 -1.02 1.01 0.33 -2.31 121.20 123.17 1mr1 s ILE 326 Ca -0.05 -0.44 0.01 0.00 0.00 0.00 0.00 60.65 60.17 1mr1 s ILE 326 Cb -0.10 -2.57 0.02 0.00 0.01 0.00 0.00 42.46 39.82 1mr1 s ILE 326 CO 0.01 0.57 -0.14 0.00 0.00 0.00 0.00 174.94 175.38 1mr1 s ALA 327 N -0.45 1.73 0.21 9.38 0.00 -0.63 0.31 121.76 132.31 1mr1 s ALA 327 Ca 0.07 -0.79 -0.16 0.00 0.00 0.00 0.00 51.96 51.07 1mr1 s ALA 327 Cb -0.12 -0.95 -0.08 0.00 0.00 0.00 0.00 23.12 21.97 1mr1 s ALA 327 CO 0.02 -0.27 0.65 -0.47 0.00 0.00 0.00 175.76 175.69 1mr1 s TYR 328 N 1.32 3.57 0.00 0.00 5.04 -1.26 -0.63 117.35 125.38 1mr1 s TYR 328 Ca 0.00 1.20 -0.01 0.00 -2.44 0.00 0.00 57.07 55.82 1mr1 s TYR 328 Cb -0.14 -2.48 -0.00 0.00 0.35 0.00 0.00 41.96 39.69 1mr1 s TYR 328 CO -0.07 0.33 0.02 -0.06 -1.34 0.00 0.00 175.55 174.43 1mr1 s PHE 329 N -1.60 0.07 -0.26 4.97 0.40 0.25 -1.53 117.98 120.27 1mr1 s PHE 329 Ca 0.43 -0.14 0.02 0.00 -0.60 0.00 0.00 56.93 56.64 1mr1 s PHE 329 Cb -0.15 -0.06 0.06 0.00 0.51 0.00 0.00 43.02 43.39 1mr1 s PHE 329 CO 0.20 -0.10 -0.08 -1.21 0.70 0.00 0.00 175.22 174.73 1mr1 s GLU 330 N -0.60 1.97 6.73 0.44 2.02 -0.41 -1.32 118.70 127.53 1mr1 s GLU 330 Ca -0.07 -1.30 0.00 0.00 0.02 0.00 0.00 54.97 53.63 1mr1 s GLU 330 Cb -0.04 -2.82 0.00 0.00 0.10 0.00 0.00 34.13 31.37 1mr1 s GLU 330 CO -0.00 -0.62 0.00 -1.33 0.02 0.00 0.00 175.26 173.33 1mr1 n MET 331 N 4.49 0.00 -1.24 1.61 2.81 -0.33 -2.37 117.12 122.08 1mr1 n MET 331 Ca -0.11 0.00 -0.25 0.00 -1.81 0.00 0.00 57.70 55.53 1mr1 n MET 331 Cb 0.43 0.00 0.14 0.00 -0.71 0.00 0.00 33.22 33.08 1mr1 n MET 331 CO 0.00 0.00 0.00 -0.40 1.51 0.00 0.00 175.97 177.08 1mr1 n ASP 332 N 3.66 4.86 -4.13 7.83 5.75 -1.18 -4.73 116.55 128.62 1mr1 n ASP 332 Ca 0.00 -3.70 -0.29 0.00 -0.01 0.00 0.00 54.79 50.79 1mr1 n ASP 332 Cb 0.00 -0.84 -0.17 0.00 -1.03 0.00 0.00 41.12 39.09 1mr1 n ASP 332 CO 0.00 0.00 0.00 -0.69 -0.11 0.00 0.00 177.20 176.40 1mr1 s VAL 333 N -3.83 1.67 -0.11 2.12 1.01 -1.00 -5.11 120.40 115.15 1mr1 s VAL 333 Ca 0.58 -0.78 -0.29 0.00 0.00 0.00 0.00 61.98 61.48 1mr1 s VAL 333 Cb 0.48 -1.47 -0.01 0.00 0.00 0.00 0.00 36.38 35.37 1mr1 s VAL 333 CO 0.06 0.47 0.99 -1.58 0.00 0.00 0.00 175.10 175.04 1mr1 s GLN 334 N 0.56 4.41 -0.17 2.72 0.74 -1.26 -1.29 119.66 125.37 1mr1 s GLN 334 Ca -0.15 1.36 -0.05 0.00 0.05 0.00 0.00 55.36 56.56 1mr1 s GLN 334 Cb -0.17 -3.54 -0.03 0.00 1.10 0.00 0.00 33.01 30.37 1mr1 s GLN 334 CO 0.05 -0.31 -0.01 0.08 -0.55 0.00 0.00 175.29 174.56 1mr1 s VAL 335 N 2.00 4.11 0.00 1.34 1.01 -0.58 -4.97 120.40 123.31 1mr1 s VAL 335 Ca 0.47 -0.27 0.00 0.00 0.00 0.00 0.00 61.98 62.18 1mr1 s VAL 335 Cb -0.18 -2.82 0.00 0.00 0.00 0.00 0.00 36.38 33.37 1mr1 s VAL 335 CO 0.18 0.47 0.00 0.61 0.00 0.00 0.00 175.10 176.36 1mr1 n GLY 336 N 3.65 -1.54 3.87 4.51 0.00 -1.26 -4.22 105.19 110.20 1mr1 n GLY 336 Ca -0.17 -1.53 -0.32 0.00 0.00 0.00 0.00 46.02 43.99 1mr1 n GLY 336 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1mr1 s GLU 337 N -1.50 3.80 -0.08 1.61 2.02 -1.26 -4.87 118.70 118.42 1mr1 s GLU 337 Ca 0.00 0.26 -0.33 0.00 0.02 0.00 0.00 54.97 54.92 1mr1 s GLU 337 Cb 0.00 -2.72 -0.10 0.00 0.10 0.00 0.00 34.13 31.41 1mr1 s GLU 337 CO 0.00 0.36 1.95 2.41 0.02 0.00 0.00 175.26 180.01 1mr1 n THR 338 N 0.05 0.59 -2.84 3.63 -1.04 -1.26 -4.85 114.28 108.56 1mr1 n THR 338 Ca -0.01 -0.15 -0.42 0.00 -2.04 0.00 0.00 64.05 61.43 1mr1 n THR 338 Cb 0.52 -2.04 -0.04 0.00 -1.82 0.00 0.00 70.33 66.96 1mr1 n THR 338 CO 0.00 0.00 0.00 0.12 -0.64 0.00 0.00 175.07 174.55 1mr1 s PHE 339 N 4.73 3.31 -0.20 -1.42 2.19 0.15 -4.84 117.98 121.90 1mr1 s PHE 339 Ca 0.94 1.20 -0.12 0.00 0.33 0.00 0.00 56.93 59.27 1mr1 s PHE 339 Cb -0.61 -3.11 -0.05 0.00 -1.31 0.00 0.00 43.02 37.94 1mr1 s PHE 339 CO 0.48 -0.43 0.21 0.15 1.83 0.00 0.00 175.22 177.46 1mr1 s LYS 340 N 2.93 4.19 -0.25 10.12 1.02 -1.26 0.12 119.74 136.61 1mr1 s LYS 340 Ca 0.37 -0.10 -0.12 0.00 0.02 0.00 0.00 55.97 56.14 1mr1 s LYS 340 Cb -0.15 -3.46 -0.05 0.00 -0.52 0.00 0.00 37.83 33.66 1mr1 s LYS 340 CO 0.07 0.20 0.22 0.08 -0.92 0.00 0.00 175.35 175.01 1mr1 s VAL 341 N 0.62 5.31 0.36 3.17 1.01 0.26 -4.99 120.40 126.13 1mr1 s VAL 341 Ca 0.11 0.28 -0.26 0.00 0.00 0.00 0.00 61.98 62.12 1mr1 s VAL 341 Cb -0.12 -3.56 -0.09 0.00 0.00 0.00 0.00 36.38 32.61 1mr1 s VAL 341 CO 0.02 0.29 1.08 -2.84 0.00 0.00 0.00 175.10 173.65 1mr1 s PRO 342 N 1.37 4.29 0.58 2.72 0.02 -1.26 -0.83 135.00 141.88 1mr1 s PRO 342 Ca 0.10 1.65 0.28 0.00 0.02 0.00 0.00 61.00 63.04 1mr1 s PRO 342 Cb -0.15 -2.76 1.57 0.00 0.02 0.00 0.00 34.50 33.19 1mr1 s PRO 342 CO 0.07 -0.06 2.05 0.77 -0.33 0.00 0.00 177.00 179.50 1mr1 h SER 343 N 2.92 0.00 0.26 2.53 0.02 -1.61 0.47 113.55 118.14 1mr1 h SER 343 Ca -0.48 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.47 1mr1 h SER 343 Cb 1.22 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.76 1mr1 h SER 343 CO 0.64 0.00 0.00 -1.54 -1.14 0.00 0.00 176.83 174.79 1mr1 n SER 344 N -3.90 0.00 -3.94 3.07 3.41 -1.26 -4.12 113.62 106.87 1mr1 n SER 344 Ca 0.04 0.33 -0.31 0.00 -0.26 0.00 0.00 58.87 58.67 1mr1 n SER 344 Cb 0.41 -0.40 -0.15 0.00 -0.26 0.00 0.00 64.21 63.82 1mr1 n SER 344 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1mr1 h PRO 346 N 7.62 0.66 -5.92 0.00 0.11 -1.79 -3.43 132.00 129.25 1mr1 h PRO 346 Ca -0.06 -0.33 -0.68 0.00 0.11 0.00 0.00 66.00 65.04 1mr1 h PRO 346 Cb 1.01 0.01 -0.14 0.00 0.11 0.00 0.00 31.00 31.98 1mr1 h PRO 346 CO 0.52 0.94 -0.61 0.42 -0.21 0.00 0.00 178.00 179.06 1mr1 s ILE 347 N -4.41 4.42 0.00 4.15 1.01 -1.26 -1.26 121.20 123.86 1mr1 s ILE 347 Ca -0.13 -0.21 0.00 0.00 0.00 0.00 0.00 60.65 60.32 1mr1 s ILE 347 Cb 0.08 -2.87 -0.01 0.00 0.01 0.00 0.00 42.46 39.68 1mr1 s ILE 347 CO 0.82 0.60 -0.02 0.54 0.00 0.00 0.00 174.94 176.88 1mr1 s VAL 348 N -0.85 0.10 -0.10 2.92 0.11 -0.26 -4.89 120.40 117.43 1mr1 s VAL 348 Ca 0.13 -0.24 -0.01 0.00 -2.93 0.00 0.00 61.98 58.93 1mr1 s VAL 348 Cb -0.11 -0.13 -0.03 0.00 -1.53 0.00 0.00 36.38 34.58 1mr1 s VAL 348 CO 0.02 -0.09 -0.05 -0.89 -3.33 0.00 0.00 175.10 170.76 1mr1 s THR 349 N -0.34 3.87 -0.23 5.04 2.01 -0.04 -0.68 115.64 125.27 1mr1 s THR 349 Ca -0.03 -0.40 0.02 0.00 0.31 0.00 0.00 61.69 61.59 1mr1 s THR 349 Cb -0.03 -2.63 0.05 0.00 0.01 0.00 0.00 72.50 69.91 1mr1 s THR 349 CO -0.00 0.57 -0.09 -0.69 -0.69 0.00 0.00 174.62 173.71 1mr1 s VAL 350 N -0.43 1.83 0.00 3.82 1.01 -0.67 -0.23 120.40 125.74 1mr1 s VAL 350 Ca 0.07 -1.32 0.00 0.00 0.00 0.00 0.00 61.98 60.73 1mr1 s VAL 350 Cb -0.12 -1.97 0.00 0.00 0.00 0.00 0.00 36.38 34.29 1mr1 s VAL 350 CO 0.02 0.02 0.00 -0.90 0.00 0.00 0.00 175.10 174.24 1mr1 n ASP 351 N 4.58 0.12 -3.25 3.32 5.75 -1.02 -2.01 116.55 124.04 1mr1 n ASP 351 Ca -0.14 -0.35 -0.25 0.00 -0.01 0.00 0.00 54.79 54.04 1mr1 n ASP 351 Cb 0.44 0.00 -0.07 0.00 -1.03 0.00 0.00 41.12 40.47 1mr1 n ASP 351 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1mr1 n GLY 352 N 0.29 4.13 0.00 6.12 0.00 -1.09 -1.15 105.19 113.49 1mr1 n GLY 352 Ca 0.00 -2.25 0.00 0.00 0.00 0.00 0.00 46.02 43.77 1mr1 n GLY 352 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1mr1 n TYR 353 N 0.82 0.00 0.00 1.61 4.01 -1.26 -4.52 117.16 117.82 1mr1 n TYR 353 Ca 0.27 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 58.01 1mr1 n TYR 353 Cb 0.48 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.51 1mr1 n TYR 353 CO 0.00 0.00 0.00 1.33 -0.46 0.00 0.00 176.86 177.73 1mr1 n VAL 354 N 0.00 0.00 0.00 -0.72 0.24 -1.26 -4.06 118.33 112.53 1mr1 n VAL 354 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.30 1mr1 n VAL 354 Cb 0.00 -0.11 0.00 0.00 -1.47 0.00 0.00 33.84 32.26 1mr1 n VAL 354 CO 0.00 0.00 0.00 -0.67 -2.14 0.00 0.00 176.83 174.02 1mr1 n ASP 355 N 0.00 0.00 0.00 -1.34 -0.08 -1.26 -4.69 116.55 109.18 1mr1 n ASP 355 Ca 0.00 0.00 0.03 0.00 -1.51 0.00 0.00 54.79 53.31 1mr1 n ASP 355 Cb 0.00 0.00 0.16 0.00 2.34 0.00 0.00 41.12 43.62 1mr1 n ASP 355 CO 0.00 0.00 0.00 -0.81 0.12 0.00 0.00 177.20 176.51 1mr1 n PRO 356 N 0.00 0.59 0.00 -0.67 -0.04 -1.26 -4.39 135.00 129.23 1mr1 n PRO 356 Ca 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.46 1mr1 n PRO 356 Cb 0.00 -1.14 0.00 0.00 -0.04 0.00 0.00 33.50 32.32 1mr1 n PRO 356 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1mr1 n SER 357 N -0.64 0.00 0.00 3.54 2.88 -1.26 -5.03 113.62 113.11 1mr1 n SER 357 Ca 0.04 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.58 1mr1 n SER 357 Cb 0.02 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.48 1mr1 n SER 357 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1mr1 n GLY 358 N 4.78 2.56 0.25 0.46 0.00 -1.26 -4.69 105.19 107.31 1mr1 n GLY 358 Ca 0.00 -0.94 -0.09 0.00 0.00 0.00 0.00 46.02 44.99 1mr1 n GLY 358 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1mr1 n GLY 359 N 0.19 -0.45 0.15 -0.02 0.00 -1.26 -4.69 105.19 99.11 1mr1 n GLY 359 Ca 0.00 -0.26 0.08 0.00 0.00 0.00 0.00 46.02 45.84 1mr1 n GLY 359 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1mr1 n ASP 360 N -4.28 1.98 -3.80 1.61 5.68 -1.26 -4.83 116.55 111.65 1mr1 n ASP 360 Ca -0.15 -2.93 -0.27 0.00 -0.50 0.00 0.00 54.79 50.94 1mr1 n ASP 360 Cb 0.47 -0.40 -0.17 0.00 -1.14 0.00 0.00 41.12 39.88 1mr1 n ASP 360 CO 0.00 0.00 0.00 -0.60 -1.33 0.00 0.00 177.20 175.27 1mr1 s ARG 361 N -2.44 0.92 -0.49 0.11 6.06 -1.26 -0.86 118.95 120.99 1mr1 s ARG 361 Ca 0.27 -0.34 -0.15 0.00 -2.50 0.00 0.00 55.73 53.01 1mr1 s ARG 361 Cb 0.24 -1.82 0.09 0.00 0.06 0.00 0.00 34.95 33.52 1mr1 s ARG 361 CO 0.02 -0.49 0.41 0.12 -2.50 0.00 0.00 175.30 172.86 1mr1 s PHE 362 N 1.80 3.26 -0.20 5.12 5.99 0.68 -4.01 117.98 130.62 1mr1 s PHE 362 Ca 0.01 -1.11 -0.14 0.00 0.00 0.00 0.00 56.93 55.68 1mr1 s PHE 362 Cb -0.15 -3.35 -0.04 0.00 0.00 0.00 0.00 43.02 39.48 1mr1 s PHE 362 CO -0.07 -0.87 0.33 0.00 -0.00 0.00 0.00 175.22 174.61 1mr1 n LEU 364 N 4.28 0.64 0.00 0.00 4.32 -0.30 -4.48 117.00 121.45 1mr1 n LEU 364 Ca -0.10 -0.18 0.06 0.00 -0.02 0.00 0.00 56.01 55.76 1mr1 n LEU 364 Cb 0.51 -0.06 0.29 0.00 -1.62 0.00 0.00 43.42 42.54 1mr1 n LEU 364 CO 0.39 0.11 0.68 0.61 -1.22 0.00 0.00 177.39 177.96 1mr1 n GLY 365 N 1.41 -0.82 0.88 -0.72 0.00 -1.26 -2.94 105.19 101.74 1mr1 n GLY 365 Ca 0.02 -0.05 0.05 0.00 0.00 0.00 0.00 46.02 46.04 1mr1 n GLY 365 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1mr1 n GLN 366 N -1.40 0.90 -3.82 1.61 0.00 -1.26 -4.86 117.38 108.56 1mr1 n GLN 366 Ca 0.04 -2.65 -0.35 0.00 0.00 0.00 0.00 57.00 54.04 1mr1 n GLN 366 Cb 0.12 -0.96 -0.08 0.00 0.00 0.00 0.00 30.24 29.32 1mr1 n GLN 366 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.06 176.55 1mr1 s LEU 367 N -1.86 4.17 0.50 2.61 1.43 -1.15 -5.06 118.68 119.32 1mr1 s LEU 367 Ca 0.34 0.26 -0.10 0.00 -1.03 0.00 0.00 54.13 53.59 1mr1 s LEU 367 Cb 0.35 -2.06 -0.05 0.00 0.03 0.00 0.00 46.19 44.46 1mr1 s LEU 367 CO -0.09 0.23 0.88 -0.44 0.23 0.00 0.00 176.35 177.16 1mr1 s SER 368 N 0.02 6.40 -0.31 2.29 0.01 -1.26 -5.05 113.70 115.80 1mr1 s SER 368 Ca 0.09 1.24 -0.04 0.00 1.31 0.00 0.00 55.95 58.55 1mr1 s SER 368 Cb -0.11 -2.38 0.19 0.00 0.21 0.00 0.00 66.02 63.93 1mr1 s SER 368 CO -0.00 -0.60 0.87 0.21 0.41 0.00 0.00 173.24 174.12 1mr1 s ASN 369 N -3.64 -0.88 0.46 2.44 2.47 -1.26 -4.61 114.94 109.91 1mr1 s ASN 369 Ca 0.53 -0.04 0.24 0.00 0.42 0.00 0.00 52.86 54.01 1mr1 s ASN 369 Cb -0.10 1.43 1.25 0.00 -1.45 0.00 0.00 41.25 42.39 1mr1 s ASN 369 CO 0.41 -0.14 1.82 -0.37 -3.72 0.00 0.00 177.10 175.09 1mr1 h VAL 370 N 4.82 0.55 -0.00 -5.21 -1.51 -2.01 0.35 116.25 113.24 1mr1 h VAL 370 Ca -0.04 -0.08 0.00 0.00 -1.23 0.00 0.00 66.70 65.34 1mr1 h VAL 370 Cb 1.19 0.28 0.00 0.00 -2.13 0.00 0.00 31.29 30.63 1mr1 h VAL 370 CO 0.00 0.05 -0.02 1.41 -1.23 0.00 0.00 177.57 177.78 1mr1 n HIS 371 N -4.44 0.00 -1.72 5.19 8.25 -1.26 -4.89 115.22 116.34 1mr1 n HIS 371 Ca 0.22 0.00 -0.41 0.00 -0.26 0.00 0.00 57.72 57.27 1mr1 n HIS 371 Cb 0.91 -0.32 0.00 0.00 1.12 0.00 0.00 29.99 31.71 1mr1 n HIS 371 CO 0.00 0.00 0.00 -2.13 0.64 0.00 0.00 176.34 174.85 1mr1 n ARG 372 N -1.30 2.19 -4.37 -0.41 0.63 0.12 -5.00 116.66 108.52 1mr1 n ARG 372 Ca 0.13 0.77 -0.26 0.00 -0.92 0.00 0.00 57.85 57.57 1mr1 n ARG 372 Cb 0.26 -2.46 -0.10 0.00 0.45 0.00 0.00 32.46 30.62 1mr1 n ARG 372 CO 0.00 0.00 0.00 0.95 -2.51 0.00 0.00 177.63 176.07 1mr1 s THR 373 N -1.15 2.81 0.29 5.15 -4.23 -1.26 -5.01 115.64 112.24 1mr1 s THR 373 Ca 0.57 -1.96 0.04 0.00 -1.18 0.00 0.00 61.69 59.17 1mr1 s THR 373 Cb -0.51 -2.41 0.28 0.00 1.34 0.00 0.00 72.50 71.20 1mr1 s THR 373 CO 0.61 -0.20 1.75 -0.08 -0.54 0.00 0.00 174.62 176.15 1mr1 h GLU 374 N 2.76 0.59 -0.10 3.99 4.81 -1.99 0.39 114.58 125.03 1mr1 h GLU 374 Ca -0.45 -0.04 -0.03 0.00 -0.13 0.00 0.00 59.36 58.72 1mr1 h GLU 374 Cb 1.22 -0.13 -0.01 0.00 0.63 0.00 0.00 28.75 30.46 1mr1 h GLU 374 CO 0.54 0.39 -0.07 0.00 -0.73 0.00 0.00 179.01 179.14 1mr1 h ALA 375 N 1.65 1.70 0.09 2.92 0.00 -2.00 -1.84 119.26 121.77 1mr1 h ALA 375 Ca 0.55 -0.13 -0.28 0.00 0.00 0.00 0.00 54.91 55.05 1mr1 h ALA 375 Cb 0.91 -0.06 0.02 0.00 0.00 0.00 0.00 17.79 18.66 1mr1 h ALA 375 CO -0.42 0.22 -1.18 0.82 0.00 0.00 0.00 179.25 178.69 1mr1 h ILE 376 N 0.14 1.33 -0.80 0.00 2.04 -0.70 -3.16 117.51 116.36 1mr1 h ILE 376 Ca 0.03 -2.52 0.07 0.00 1.00 0.00 0.00 64.86 63.44 1mr1 h ILE 376 Cb 0.22 2.66 -0.05 0.00 -0.74 0.00 0.00 36.82 38.91 1mr1 h ILE 376 CO 0.01 0.76 0.52 -0.33 0.00 0.00 0.00 178.15 179.12 1mr1 h GLU 377 N 0.25 0.84 -0.88 2.37 5.08 -0.47 -1.76 114.58 120.01 1mr1 h GLU 377 Ca -0.16 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.15 1mr1 h GLU 377 Cb 1.85 -0.19 -0.04 0.00 0.50 0.00 0.00 28.75 30.87 1mr1 h GLU 377 CO 0.22 0.56 0.56 0.00 -1.00 0.00 0.00 179.01 179.34 1mr1 h ARG 378 N 0.86 1.17 -0.07 2.33 3.08 -1.33 -2.44 114.38 117.99 1mr1 h ARG 378 Ca 0.35 -0.09 -0.15 0.00 0.07 0.00 0.00 59.98 60.16 1mr1 h ARG 378 Cb 0.24 -0.26 -0.01 0.00 0.08 0.00 0.00 29.97 30.02 1mr1 h ARG 378 CO -0.12 0.80 -0.61 0.00 -1.07 0.00 0.00 179.97 178.97 1mr1 h ALA 379 N 1.31 0.84 0.00 0.04 0.00 -1.36 -3.04 119.26 117.04 1mr1 h ALA 379 Ca 0.32 -0.55 -0.04 0.00 0.00 0.00 0.00 54.91 54.64 1mr1 h ALA 379 Cb -0.10 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.60 1mr1 h ALA 379 CO -0.06 0.73 -0.21 0.00 0.00 0.00 0.00 179.25 179.71 1mr1 h ARG 380 N 0.18 0.00 0.00 0.00 3.08 -0.92 -2.04 114.38 114.69 1mr1 h ARG 380 Ca -0.01 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.04 1mr1 h ARG 380 Cb 1.12 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.17 1mr1 h ARG 380 CO 0.09 0.21 0.00 -0.07 -1.07 0.00 0.00 179.97 179.14 1mr1 h LEU 381 N 0.00 0.00 -0.76 3.04 4.07 -1.36 -2.99 115.31 117.32 1mr1 h LEU 381 Ca -0.00 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.96 1mr1 h LEU 381 Cb 0.37 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.11 1mr1 h LEU 381 CO 0.03 0.00 -0.35 1.41 -1.08 0.00 0.00 178.44 178.45 1mr1 n HIS 382 N -3.07 0.00 -0.65 1.13 8.25 -0.77 -4.27 115.22 115.83 1mr1 n HIS 382 Ca 0.01 0.00 -0.13 0.00 -0.26 0.00 0.00 57.72 57.34 1mr1 n HIS 382 Cb 0.32 -0.06 0.04 0.00 1.12 0.00 0.00 29.99 31.41 1mr1 n HIS 382 CO 0.00 0.00 0.00 0.44 0.64 0.00 0.00 176.34 177.42 1mr1 n ILE 383 N -0.31 2.51 0.00 1.59 -5.35 -1.13 -4.54 119.36 112.13 1mr1 n ILE 383 Ca 0.11 -1.34 0.00 0.00 -0.27 0.00 0.00 62.75 61.25 1mr1 n ILE 383 Cb 0.41 -1.25 0.00 0.00 -1.74 0.00 0.00 39.64 37.06 1mr1 n ILE 383 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1mr1 n GLY 384 N 0.38 0.00 0.00 3.28 0.00 -1.26 -2.01 105.19 105.58 1mr1 n GLY 384 Ca 0.25 0.00 0.15 0.00 0.00 0.00 0.00 46.02 46.42 1mr1 n GLY 384 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1mr1 n LYS 385 N 0.00 0.88 0.00 1.61 5.02 -1.26 -2.69 118.16 121.72 1mr1 n LYS 385 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 1mr1 n LYS 385 Cb 0.00 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 33.51 1mr1 n LYS 385 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1mr1 n GLY 386 N 0.94 1.66 3.75 0.72 0.00 -0.85 -4.52 105.19 106.89 1mr1 n GLY 386 Ca 0.22 -0.52 -0.26 0.00 0.00 0.00 0.00 46.02 45.46 1mr1 n GLY 386 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1mr1 s VAL 387 N 0.00 2.16 -0.08 1.61 -7.23 -0.85 -0.51 120.40 115.50 1mr1 s VAL 387 Ca 0.00 -1.72 0.00 0.00 -1.81 0.00 0.00 61.98 58.46 1mr1 s VAL 387 Cb 0.00 -2.88 0.02 0.00 0.56 0.00 0.00 36.38 34.08 1mr1 s VAL 387 CO 0.00 0.00 -0.07 -1.58 -0.31 0.00 0.00 175.10 173.14 1mr1 s GLN 388 N -3.92 1.32 -0.23 4.82 0.74 -0.28 -1.66 119.66 120.44 1mr1 s GLN 388 Ca 0.38 -0.22 -0.08 0.00 0.05 0.00 0.00 55.36 55.49 1mr1 s GLN 388 Cb 0.04 -1.31 -0.04 0.00 1.10 0.00 0.00 33.01 32.80 1mr1 s GLN 388 CO 0.21 -0.16 0.09 -0.51 -0.55 0.00 0.00 175.29 174.37 1mr1 s LEU 389 N 1.31 3.68 -0.11 3.68 1.43 0.15 -1.17 118.68 127.65 1mr1 s LEU 389 Ca -0.03 -0.07 0.02 0.00 -1.03 0.00 0.00 54.13 53.02 1mr1 s LEU 389 Cb -0.14 -1.97 0.01 0.00 0.03 0.00 0.00 46.19 44.12 1mr1 s LEU 389 CO -0.03 0.04 -0.17 -0.70 0.23 0.00 0.00 176.35 175.72 1mr1 s GLU 390 N 1.19 2.43 -0.26 1.70 2.12 0.28 -1.10 118.70 125.05 1mr1 s GLU 390 Ca 0.05 -0.64 -0.15 0.00 0.36 0.00 0.00 54.97 54.59 1mr1 s GLU 390 Cb -0.14 -2.00 -0.04 0.00 0.26 0.00 0.00 34.13 32.20 1mr1 s GLU 390 CO 0.04 -0.02 0.35 0.00 -0.54 0.00 0.00 175.26 175.09 1mr1 s LYS 392 N 1.89 2.49 5.51 0.00 1.02 0.12 -4.84 119.74 125.93 1mr1 s LYS 392 Ca 0.15 -0.75 0.00 0.00 0.02 0.00 0.00 55.97 55.39 1mr1 s LYS 392 Cb -0.16 -2.45 0.00 0.00 -0.52 0.00 0.00 37.83 34.71 1mr1 s LYS 392 CO 0.09 0.60 0.00 0.41 -0.92 0.00 0.00 175.35 175.53 1mr1 n GLY 393 N 1.65 2.52 0.24 -3.33 0.00 -1.26 -1.22 105.19 103.78 1mr1 n GLY 393 Ca -0.16 -0.43 -0.05 0.00 0.00 0.00 0.00 46.02 45.39 1mr1 n GLY 393 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1mr1 h GLU 394 N 0.00 0.53 0.00 1.61 4.81 -2.05 -3.43 114.58 116.05 1mr1 h GLU 394 Ca 0.00 -0.22 0.00 0.00 -0.13 0.00 0.00 59.36 59.01 1mr1 h GLU 394 Cb 0.00 -0.02 0.00 0.00 0.63 0.00 0.00 28.75 29.36 1mr1 h GLU 394 CO 0.00 0.77 0.00 0.41 -0.73 0.00 0.00 179.01 179.46 1mr1 n GLY 395 N -0.25 0.00 3.86 1.92 0.00 -1.16 -4.93 105.19 104.63 1mr1 n GLY 395 Ca -0.01 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.67 1mr1 n GLY 395 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1mr1 s ASP 396 N 0.00 6.73 0.05 1.61 1.11 -0.36 -4.20 116.67 121.61 1mr1 s ASP 396 Ca 0.00 0.95 0.08 0.00 0.18 0.00 0.00 52.55 53.76 1mr1 s ASP 396 Cb 0.00 -2.24 -0.03 0.00 1.07 0.00 0.00 42.92 41.72 1mr1 s ASP 396 CO 0.00 0.11 -0.22 -0.69 1.18 0.00 0.00 175.17 175.56 1mr1 s VAL 397 N -1.47 2.52 0.05 -1.27 1.01 0.07 0.10 120.40 121.41 1mr1 s VAL 397 Ca 0.37 -1.29 0.04 0.00 0.00 0.00 0.00 61.98 61.10 1mr1 s VAL 397 Cb -0.14 -2.04 -0.02 0.00 0.00 0.00 0.00 36.38 34.18 1mr1 s VAL 397 CO 0.19 0.34 -0.12 0.26 0.00 0.00 0.00 175.10 175.77 1mr1 s TRP 398 N -0.89 1.03 -0.06 5.22 0.52 0.69 -0.84 118.94 124.61 1mr1 s TRP 398 Ca 0.13 -0.43 0.04 0.00 0.02 0.00 0.00 56.10 55.87 1mr1 s TRP 398 Cb -0.10 -0.60 -0.00 0.00 -1.15 0.00 0.00 33.47 31.62 1mr1 s TRP 398 CO 0.04 0.01 -0.20 0.08 0.02 0.00 0.00 176.95 176.90 1mr1 s VAL 399 N -1.14 1.70 -0.20 4.03 1.01 0.19 -0.56 120.40 125.43 1mr1 s VAL 399 Ca -0.03 -0.85 0.01 0.00 0.00 0.00 0.00 61.98 61.12 1mr1 s VAL 399 Cb -0.09 -1.46 0.03 0.00 0.00 0.00 0.00 36.38 34.86 1mr1 s VAL 399 CO 0.01 0.48 -0.17 -0.60 0.00 0.00 0.00 175.10 174.83 1mr1 s ARG 400 N 0.14 2.71 -0.69 2.72 3.52 -0.32 -0.81 118.95 126.22 1mr1 s ARG 400 Ca -0.09 -0.94 -0.25 0.00 -0.13 0.00 0.00 55.73 54.32 1mr1 s ARG 400 Cb -0.14 -2.61 0.05 0.00 -1.56 0.00 0.00 34.95 30.69 1mr1 s ARG 400 CO 0.04 -0.31 1.12 0.00 -0.81 0.00 0.00 175.30 175.35 1mr1 n LEU 402 N 8.54 1.32 -4.90 0.00 4.77 0.34 0.12 117.00 127.19 1mr1 n LEU 402 Ca -0.00 -0.41 -0.28 0.00 -0.03 0.00 0.00 56.01 55.29 1mr1 n LEU 402 Cb 0.47 -0.04 0.01 0.00 -2.33 0.00 0.00 43.42 41.53 1mr1 n LEU 402 CO 0.68 0.23 0.51 -0.55 -1.33 0.00 0.00 177.39 176.93 1mr1 s SER 403 N -2.16 6.05 0.00 -1.43 0.15 -0.87 -4.24 113.70 111.20 1mr1 s SER 403 Ca 0.34 0.94 0.28 0.00 0.70 0.00 0.00 55.95 58.21 1mr1 s SER 403 Cb 0.20 -2.11 1.32 0.00 -1.71 0.00 0.00 66.02 63.72 1mr1 s SER 403 CO 0.39 -0.77 1.95 0.47 1.20 0.00 0.00 173.24 176.48 1mr1 n ASP 404 N -2.44 0.00 -4.21 5.45 8.00 -1.26 -4.40 116.55 117.70 1mr1 n ASP 404 Ca 0.03 0.22 -0.29 0.00 0.71 0.00 0.00 54.79 55.46 1mr1 n ASP 404 Cb 0.56 -0.40 -0.16 0.00 -0.02 0.00 0.00 41.12 41.09 1mr1 n ASP 404 CO 0.00 0.00 0.00 -1.00 -0.39 0.00 0.00 177.20 175.81 1mr1 s HIS 405 N -2.81 2.07 0.98 1.24 3.76 -1.26 -4.87 115.29 114.39 1mr1 s HIS 405 Ca 0.20 -0.58 -0.14 0.00 -0.15 0.00 0.00 55.06 54.38 1mr1 s HIS 405 Cb 0.19 -1.37 0.02 0.00 1.11 0.00 0.00 32.58 32.53 1mr1 s HIS 405 CO 0.48 -0.18 0.16 0.00 -0.85 0.00 0.00 174.74 174.36 1mr1 n ALA 406 N 2.99 -3.23 -2.54 -1.40 0.00 -1.26 -4.75 120.51 110.31 1mr1 n ALA 406 Ca -0.17 -0.71 -0.31 0.00 0.00 0.00 0.00 53.44 52.24 1mr1 n ALA 406 Cb 0.52 -1.66 -0.16 0.00 0.00 0.00 0.00 19.45 18.15 1mr1 n ALA 406 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1mr1 s VAL 407 N -2.32 2.03 -0.25 0.00 1.01 -0.05 -4.35 120.40 116.48 1mr1 s VAL 407 Ca 0.54 -1.08 -0.08 0.00 0.00 0.00 0.00 61.98 61.36 1mr1 s VAL 407 Cb -0.19 -1.70 -0.04 0.00 0.00 0.00 0.00 36.38 34.45 1mr1 s VAL 407 CO 0.69 0.57 0.11 -0.36 0.00 0.00 0.00 175.10 176.11 1mr1 s PHE 408 N -0.36 3.15 0.16 5.22 0.40 0.24 -0.52 117.98 126.27 1mr1 s PHE 408 Ca 0.03 -0.17 0.07 0.00 -0.60 0.00 0.00 56.93 56.25 1mr1 s PHE 408 Cb -0.12 -2.25 -0.04 0.00 0.51 0.00 0.00 43.02 41.12 1mr1 s PHE 408 CO 0.01 -0.21 -0.01 0.08 0.70 0.00 0.00 175.22 175.79 1mr1 s VAL 409 N 1.45 3.70 -0.29 -0.44 1.01 0.51 0.20 120.40 126.54 1mr1 s VAL 409 Ca 0.06 -1.38 0.02 0.00 0.00 0.00 0.00 61.98 60.68 1mr1 s VAL 409 Cb -0.15 -2.84 0.08 0.00 0.00 0.00 0.00 36.38 33.47 1mr1 s VAL 409 CO 0.05 -0.07 0.00 -1.58 0.00 0.00 0.00 175.10 173.51 1mr1 s GLN 410 N -2.82 1.47 -0.07 2.72 0.74 0.32 -1.72 119.66 120.30 1mr1 s GLN 410 Ca 0.27 -1.33 -0.03 0.00 0.05 0.00 0.00 55.36 54.31 1mr1 s GLN 410 Cb -0.10 -2.70 0.04 0.00 1.10 0.00 0.00 33.01 31.35 1mr1 s GLN 410 CO 0.18 -0.78 0.16 -1.54 -0.55 0.00 0.00 175.29 172.76 1mr1 s SER 411 N 1.25 -0.13 0.53 6.67 1.04 -1.26 -2.89 113.70 118.90 1mr1 s SER 411 Ca 0.02 0.33 0.23 0.00 0.48 0.00 0.00 55.95 57.01 1mr1 s SER 411 Cb -0.19 0.23 1.46 0.00 0.10 0.00 0.00 66.02 67.62 1mr1 s SER 411 CO -0.10 -0.14 2.15 1.88 0.98 0.00 0.00 173.24 178.01 1mr1 h TYR 412 N 7.07 0.00 0.74 5.02 0.05 -1.86 0.15 116.97 128.12 1mr1 h TYR 412 Ca -0.40 0.00 -0.04 0.00 0.05 0.00 0.00 58.73 58.34 1mr1 h TYR 412 Cb 1.15 0.00 0.01 0.00 1.01 0.00 0.00 36.73 38.90 1mr1 h TYR 412 CO 0.42 0.06 -0.35 -0.92 -1.05 0.00 0.00 178.16 176.31 1mr1 h TYR 413 N 0.00 -0.92 -0.71 4.88 3.20 -1.95 -2.06 116.97 119.43 1mr1 h TYR 413 Ca -0.00 -0.02 -0.03 0.00 3.14 0.00 0.00 58.73 61.82 1mr1 h TYR 413 Cb 0.12 0.30 -0.03 0.00 1.54 0.00 0.00 36.73 38.66 1mr1 h TYR 413 CO 0.00 -0.56 0.34 -0.07 -1.64 0.00 0.00 178.16 176.22 1mr1 h LEU 414 N -1.03 0.93 -0.86 2.82 3.38 -1.63 -0.85 115.31 118.07 1mr1 h LEU 414 Ca -0.10 -0.14 0.23 0.00 0.09 0.00 0.00 57.88 57.96 1mr1 h LEU 414 Cb 0.77 -0.24 -0.14 0.00 0.09 0.00 0.00 40.66 41.14 1mr1 h LEU 414 CO 0.17 0.80 0.17 0.44 0.09 0.00 0.00 178.44 180.11 1mr1 h ASP 415 N 0.99 -0.11 0.07 -0.43 3.45 -0.80 0.52 116.42 120.11 1mr1 h ASP 415 Ca 0.24 0.20 -0.00 0.00 0.43 0.00 0.00 57.03 57.90 1mr1 h ASP 415 Cb 0.13 0.30 0.00 0.00 -0.56 0.00 0.00 39.33 39.20 1mr1 h ASP 415 CO -0.03 -0.18 -0.03 -0.09 -1.57 0.00 0.00 179.24 177.34 1mr1 h ARG 416 N 0.17 -0.09 -0.93 3.56 2.43 -0.76 -1.92 114.38 116.84 1mr1 h ARG 416 Ca 0.53 0.01 0.34 0.00 -0.81 0.00 0.00 59.98 60.05 1mr1 h ARG 416 Cb 1.05 0.02 -0.17 0.00 -0.42 0.00 0.00 29.97 30.45 1mr1 h ARG 416 CO -0.68 -0.06 0.34 0.39 -1.51 0.00 0.00 179.97 178.45 1mr1 n GLU 417 N -2.93 -0.06 0.07 0.20 -0.58 -0.38 0.20 120.64 117.16 1mr1 n GLU 417 Ca -0.01 1.32 -0.12 0.00 -0.42 0.00 0.00 57.16 57.93 1mr1 n GLU 417 Cb 0.04 -2.27 -0.06 0.00 -0.57 0.00 0.00 31.44 28.58 1mr1 n GLU 417 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1mr1 h ALA 418 N 1.85 -0.14 0.00 0.62 0.00 -0.05 -3.47 119.26 118.07 1mr1 h ALA 418 Ca 0.71 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.61 1mr1 h ALA 418 Cb 1.77 0.15 0.00 0.00 0.00 0.00 0.00 17.79 19.71 1mr1 h ALA 418 CO -0.77 -0.60 0.00 0.41 0.00 0.00 0.00 179.25 178.29 1mr1 n GLY 419 N -1.21 0.61 3.95 0.00 0.00 0.55 -5.10 105.19 103.98 1mr1 n GLY 419 Ca -0.06 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.70 1mr1 n GLY 419 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1mr1 s ARG 420 N 0.00 1.66 0.83 1.61 0.52 -0.73 -4.99 118.95 117.85 1mr1 s ARG 420 Ca 0.00 -0.59 -0.12 0.00 -0.52 0.00 0.00 55.73 54.50 1mr1 s ARG 420 Cb 0.00 -2.16 0.09 0.00 0.52 0.00 0.00 34.95 33.40 1mr1 s ARG 420 CO 0.00 -1.57 1.10 0.00 0.02 0.00 0.00 175.30 174.84 1mr1 s ALA 421 N -3.35 2.02 0.18 2.13 0.00 -1.26 -4.23 121.76 117.24 1mr1 s ALA 421 Ca 0.65 -0.17 -0.33 0.00 0.00 0.00 0.00 51.96 52.11 1mr1 s ALA 421 Cb -0.07 -3.13 -0.14 0.00 0.00 0.00 0.00 23.12 19.77 1mr1 s ALA 421 CO 0.46 -1.93 1.41 -2.30 0.00 0.00 0.00 175.76 173.40 1mr1 n PRO 422 N -3.58 1.77 -3.64 0.00 -0.02 -1.26 -3.19 135.00 125.08 1mr1 n PRO 422 Ca 0.07 0.64 -0.34 0.00 -2.02 0.00 0.00 63.50 61.85 1mr1 n PRO 422 Cb 0.56 -2.30 0.02 0.00 -0.02 0.00 0.00 33.50 31.76 1mr1 n PRO 422 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1mr1 n GLY 423 N 2.60 -0.44 2.05 -1.23 0.00 -1.26 -4.90 105.19 102.02 1mr1 n GLY 423 Ca 0.15 0.94 -0.03 0.00 0.00 0.00 0.00 46.02 47.08 1mr1 n GLY 423 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1mr1 n ASP 424 N -1.21 -1.14 -3.62 1.61 2.03 -1.19 -5.12 116.55 107.91 1mr1 n ASP 424 Ca -0.19 -1.95 -0.10 0.00 0.52 0.00 0.00 54.79 53.07 1mr1 n ASP 424 Cb 0.69 0.49 -0.07 0.00 -0.72 0.00 0.00 41.12 41.52 1mr1 n ASP 424 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1mr1 s ALA 425 N 0.08 -1.93 -0.15 -1.67 0.00 -1.26 -4.77 121.76 112.06 1mr1 s ALA 425 Ca 0.06 1.82 -0.02 0.00 0.00 0.00 0.00 51.96 53.81 1mr1 s ALA 425 Cb 0.28 -1.21 -0.02 0.00 0.00 0.00 0.00 23.12 22.16 1mr1 s ALA 425 CO -0.08 -0.27 -0.08 0.08 0.00 0.00 0.00 175.76 175.41 1mr1 s VAL 426 N -0.06 3.46 -0.28 0.00 1.01 -1.26 -4.78 120.40 118.48 1mr1 s VAL 426 Ca 0.01 -0.51 -0.10 0.00 0.00 0.00 0.00 61.98 61.38 1mr1 s VAL 426 Cb -0.04 -2.49 -0.03 0.00 0.00 0.00 0.00 36.38 33.82 1mr1 s VAL 426 CO -0.03 0.50 0.15 -1.00 0.00 0.00 0.00 175.10 174.72 1mr1 s HIS 427 N 0.42 3.17 -0.38 5.22 3.76 -0.70 -4.95 115.29 121.83 1mr1 s HIS 427 Ca -0.07 -0.22 -0.23 0.00 -0.15 0.00 0.00 55.06 54.40 1mr1 s HIS 427 Cb -0.15 -2.34 0.01 0.00 1.11 0.00 0.00 32.58 31.21 1mr1 s HIS 427 CO 0.04 -0.30 0.75 0.21 -0.85 0.00 0.00 174.74 174.59 1mr1 s LYS 428 N 1.68 3.66 -0.32 1.40 2.20 -1.26 -0.37 119.74 126.73 1mr1 s LYS 428 Ca 0.06 0.16 -0.13 0.00 -0.36 0.00 0.00 55.97 55.71 1mr1 s LYS 428 Cb -0.16 -3.84 -0.03 0.00 -1.51 0.00 0.00 37.83 32.30 1mr1 s LYS 428 CO 0.08 -0.88 0.26 0.42 -0.36 0.00 0.00 175.35 174.86 1mr1 s ILE 429 N 3.05 5.27 0.78 5.43 1.01 0.32 -4.95 121.20 132.10 1mr1 s ILE 429 Ca 0.29 -0.03 -0.11 0.00 0.00 0.00 0.00 60.65 60.81 1mr1 s ILE 429 Cb -0.13 -3.68 0.06 0.00 0.01 0.00 0.00 42.46 38.71 1mr1 s ILE 429 CO 0.18 0.05 1.08 -0.31 0.00 0.00 0.00 174.94 175.94 1mr1 s TYR 430 N 1.80 2.76 0.25 3.97 1.51 -1.26 -0.87 117.35 125.50 1mr1 s TYR 430 Ca 0.08 1.36 -0.30 0.00 -1.01 0.00 0.00 57.07 57.19 1mr1 s TYR 430 Cb -0.17 -3.04 -0.14 0.00 -0.11 0.00 0.00 41.96 38.51 1mr1 s TYR 430 CO 0.11 -1.73 1.26 -2.30 -1.11 0.00 0.00 175.55 171.78 1mr1 n PRO 431 N -3.45 1.73 -0.45 -1.71 -0.02 -1.26 -1.31 135.00 128.54 1mr1 n PRO 431 Ca 0.08 0.61 0.00 0.00 -2.02 0.00 0.00 63.50 62.17 1mr1 n PRO 431 Cb 0.54 -2.17 0.00 0.00 -0.02 0.00 0.00 33.50 31.85 1mr1 n PRO 431 CO 0.00 0.00 0.00 0.43 1.98 0.00 0.00 175.50 177.91 1mr1 n SER 432 N 1.74 0.00 -4.66 2.55 7.64 0.33 -4.96 113.62 116.25 1mr1 n SER 432 Ca 0.11 0.00 -0.30 0.00 1.01 0.00 0.00 58.87 59.69 1mr1 n SER 432 Cb 0.31 -1.63 0.17 0.00 -1.01 0.00 0.00 64.21 62.05 1mr1 n SER 432 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1mr1 s ALA 433 N -1.72 1.09 -0.37 -0.43 0.00 -0.42 -4.71 121.76 115.21 1mr1 s ALA 433 Ca 0.00 0.07 0.02 0.00 0.00 0.00 0.00 51.96 52.05 1mr1 s ALA 433 Cb 0.00 -3.26 0.15 0.00 0.00 0.00 0.00 23.12 20.01 1mr1 s ALA 433 CO 0.00 -2.76 0.31 -0.47 0.00 0.00 0.00 175.76 172.84 1mr1 s TYR 434 N -2.77 0.19 0.07 0.00 6.04 -1.26 -1.86 117.35 117.77 1mr1 s TYR 434 Ca 0.65 -1.24 0.05 0.00 0.04 0.00 0.00 57.07 56.57 1mr1 s TYR 434 Cb -0.20 -0.64 -0.04 0.00 -1.04 0.00 0.00 41.96 40.04 1mr1 s TYR 434 CO 0.59 -0.91 -0.03 0.42 -1.54 0.00 0.00 175.55 174.08 1mr1 s ILE 435 N 1.20 3.85 -0.14 3.14 1.09 0.01 -4.91 121.20 125.43 1mr1 s ILE 435 Ca 0.18 -0.97 -0.22 0.00 -1.10 0.00 0.00 60.65 58.53 1mr1 s ILE 435 Cb -0.18 -2.79 -0.03 0.00 -1.06 0.00 0.00 42.46 38.40 1mr1 s ILE 435 CO -0.01 0.18 0.69 -0.75 -0.10 0.00 0.00 174.94 174.94 1mr1 s LYS 436 N -2.08 4.32 0.00 2.79 2.20 -1.26 0.57 119.74 126.28 1mr1 s LYS 436 Ca 0.23 0.78 0.05 0.00 -0.36 0.00 0.00 55.97 56.67 1mr1 s LYS 436 Cb -0.11 -3.52 0.02 0.00 -1.51 0.00 0.00 37.83 32.71 1mr1 s LYS 436 CO 0.15 -0.12 0.55 1.33 -0.36 0.00 0.00 175.35 176.90 1mr1 n VAL 437 N 4.30 0.00 -3.67 4.02 0.24 -0.02 -4.86 118.33 118.33 1mr1 n VAL 437 Ca -0.01 -0.48 -0.09 0.00 -2.04 0.00 0.00 64.34 61.73 1mr1 n VAL 437 Cb 0.50 1.08 -0.09 0.00 -1.47 0.00 0.00 33.84 33.86 1mr1 n VAL 437 CO 0.00 0.00 0.00 0.12 -2.14 0.00 0.00 176.83 174.81 1mr1 s PHE 438 N -0.66 -0.83 -0.19 6.34 5.36 -1.04 -4.34 117.98 122.62 1mr1 s PHE 438 Ca 0.05 1.69 -0.02 0.00 -0.96 0.00 0.00 56.93 57.70 1mr1 s PHE 438 Cb 0.04 0.44 -0.00 0.00 -0.34 0.00 0.00 43.02 43.16 1mr1 s PHE 438 CO 0.09 -0.44 -0.10 0.34 -1.46 0.00 0.00 175.22 173.65 1mr1 s ASP 439 N 1.57 3.92 0.09 6.13 2.15 -1.26 -0.75 116.67 128.51 1mr1 s ASP 439 Ca -0.10 -0.45 -0.21 0.00 0.43 0.00 0.00 52.55 52.23 1mr1 s ASP 439 Cb -0.07 -1.64 -0.11 0.00 -0.30 0.00 0.00 42.92 40.80 1mr1 s ASP 439 CO -0.16 0.03 1.64 0.25 -0.17 0.00 0.00 175.17 176.76 1mr1 h LEU 440 N 7.73 0.19 0.53 -1.34 6.46 -1.95 -2.44 115.31 124.49 1mr1 h LEU 440 Ca -0.39 -0.14 -0.03 0.00 -0.12 0.00 0.00 57.88 57.21 1mr1 h LEU 440 Cb 1.17 -0.05 0.01 0.00 -0.73 0.00 0.00 40.66 41.05 1mr1 h LEU 440 CO 0.60 0.28 -0.25 0.03 -0.62 0.00 0.00 178.44 178.47 1mr1 h ARG 441 N 0.09 -0.68 -1.00 1.25 3.08 -1.96 0.10 114.38 115.25 1mr1 h ARG 441 Ca 0.05 0.05 0.28 0.00 0.07 0.00 0.00 59.98 60.42 1mr1 h ARG 441 Cb 0.14 0.16 -0.05 0.00 0.08 0.00 0.00 29.97 30.30 1mr1 h ARG 441 CO -0.01 -0.45 0.70 0.37 -1.07 0.00 0.00 179.97 179.52 1mr1 h GLN 442 N -0.72 0.11 -0.02 0.04 4.15 -1.99 0.23 115.11 116.91 1mr1 h GLN 442 Ca -0.07 -0.01 -0.04 0.00 0.77 0.00 0.00 58.65 59.30 1mr1 h GLN 442 Cb 0.55 -0.02 0.00 0.00 0.21 0.00 0.00 27.48 28.21 1mr1 h GLN 442 CO 0.12 0.07 -0.13 0.00 -1.93 0.00 0.00 178.83 176.96 1mr1 h HIS 444 N -0.52 1.22 0.68 0.00 -0.00 0.17 0.20 115.15 116.91 1mr1 h HIS 444 Ca -0.01 -0.02 -0.03 0.00 -0.00 0.00 0.00 60.37 60.31 1mr1 h HIS 444 Cb 0.83 -0.39 0.01 0.00 -0.00 0.00 0.00 27.41 27.85 1mr1 h HIS 444 CO 0.16 0.83 -0.33 0.00 -0.00 0.00 0.00 177.93 178.59 1mr1 h ARG 445 N 1.26 -0.89 -0.85 5.26 3.08 -0.76 -2.53 114.38 118.94 1mr1 h ARG 445 Ca 0.32 0.06 0.22 0.00 0.07 0.00 0.00 59.98 60.65 1mr1 h ARG 445 Cb -0.01 0.20 -0.05 0.00 0.08 0.00 0.00 29.97 30.20 1mr1 h ARG 445 CO -0.06 -0.59 0.59 0.37 -1.07 0.00 0.00 179.97 179.21 1mr1 h GLN 446 N -1.24 0.20 -0.33 0.04 4.15 -1.21 -0.34 115.11 116.37 1mr1 h GLN 446 Ca -0.09 -0.01 -0.16 0.00 0.77 0.00 0.00 58.65 59.16 1mr1 h GLN 446 Cb 0.71 -0.04 -0.01 0.00 0.21 0.00 0.00 27.48 28.34 1mr1 h GLN 446 CO 0.15 0.13 -0.41 1.98 -1.93 0.00 0.00 178.83 178.75 1mr1 h MET 447 N 0.20 0.82 -0.38 1.69 4.05 -0.52 -2.73 114.93 118.07 1mr1 h MET 447 Ca 0.43 -0.44 -0.16 0.00 -0.28 0.00 0.00 59.70 59.25 1mr1 h MET 447 Cb 1.35 0.02 -0.01 0.00 -0.80 0.00 0.00 31.60 32.17 1mr1 h MET 447 CO -0.09 1.08 -0.39 1.96 0.23 0.00 0.00 176.91 179.70 1mr1 h GLN 448 N 0.67 0.92 0.00 0.39 4.20 -0.65 -2.75 115.11 117.89 1mr1 h GLN 448 Ca 0.05 -0.49 0.00 0.00 0.06 0.00 0.00 58.65 58.27 1mr1 h GLN 448 Cb 0.98 0.02 0.00 0.00 0.30 0.00 0.00 27.48 28.78 1mr1 h GLN 448 CO 0.09 1.14 0.00 0.94 -0.67 0.00 0.00 178.83 180.34 1mr1 n GLN 449 N -4.05 0.00 0.21 1.46 7.27 -0.62 -1.14 117.38 120.51 1mr1 n GLN 449 Ca -0.02 0.58 0.18 0.00 0.07 0.00 0.00 57.00 57.81 1mr1 n GLN 449 Cb 0.55 -1.39 0.84 0.00 2.41 0.00 0.00 30.24 32.65 1mr1 n GLN 449 CO 0.00 0.00 0.00 1.96 0.07 0.00 0.00 177.06 179.09 1mr1 h GLN 450 N 0.00 0.00 0.37 3.69 4.20 -1.60 0.59 115.11 122.36 1mr1 h GLN 450 Ca 0.00 0.00 -0.02 0.00 0.06 0.00 0.00 58.65 58.69 1mr1 h GLN 450 Cb 0.00 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.78 1mr1 h GLN 450 CO 0.00 0.00 -0.18 0.00 -0.67 0.00 0.00 178.83 177.98 1mr1 h ALA 451 N 1.63 -0.50 0.00 3.87 0.00 -1.12 -2.15 119.26 120.99 1mr1 h ALA 451 Ca 0.09 -0.19 -0.04 0.00 0.00 0.00 0.00 54.91 54.77 1mr1 h ALA 451 Cb 0.64 0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.61 1mr1 h ALA 451 CO -0.00 -0.59 -0.18 0.00 0.00 0.00 0.00 179.25 178.47 1mr1 h ALA 452 N -0.44 1.52 -0.45 0.00 0.00 -0.13 -1.62 119.26 118.14 1mr1 h ALA 452 Ca -0.05 -0.17 -0.00 0.00 0.00 0.00 0.00 54.91 54.69 1mr1 h ALA 452 Cb 0.54 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.28 1mr1 h ALA 452 CO 0.08 0.23 0.27 1.15 0.00 0.00 0.00 179.25 180.98 1mr1 h THR 453 N 0.00 1.14 -0.18 0.00 2.02 -0.75 -1.82 112.91 113.31 1mr1 h THR 453 Ca -0.00 -0.31 -0.17 0.00 0.77 0.00 0.00 66.41 66.71 1mr1 h THR 453 Cb 0.36 0.54 -0.00 0.00 -1.74 0.00 0.00 68.15 67.30 1mr1 h THR 453 CO 0.02 0.14 -0.57 0.00 0.37 0.00 0.00 175.52 175.48 1mr1 h ALA 454 N 1.13 0.66 -1.03 6.16 0.00 -0.84 -1.81 119.26 123.53 1mr1 h ALA 454 Ca 0.16 -0.52 0.25 0.00 0.00 0.00 0.00 54.91 54.80 1mr1 h ALA 454 Cb -0.01 -0.08 -0.10 0.00 0.00 0.00 0.00 17.79 17.60 1mr1 h ALA 454 CO -0.03 0.69 0.65 0.37 0.00 0.00 0.00 179.25 180.93 1mr1 h GLN 455 N 0.44 0.45 -4.60 0.00 5.75 -0.94 -2.99 115.11 113.22 1mr1 h GLN 455 Ca 0.00 -0.03 -0.73 0.00 -0.15 0.00 0.00 58.65 57.74 1mr1 h GLN 455 Cb 1.12 -0.10 -0.20 0.00 1.07 0.00 0.00 27.48 29.37 1mr1 h GLN 455 CO 0.11 0.30 0.85 0.00 -2.65 0.00 0.00 178.83 177.44 1mr1 s ALA 456 N -5.58 3.84 -0.44 3.38 0.00 -0.68 -4.66 121.76 117.61 1mr1 s ALA 456 Ca -0.09 -3.17 0.07 0.00 0.00 0.00 0.00 51.96 48.77 1mr1 s ALA 456 Cb 0.26 -3.94 0.18 0.00 0.00 0.00 0.00 23.12 19.61 1mr1 s ALA 456 CO 0.80 -2.72 0.61 0.00 0.00 0.00 0.00 175.76 174.44 1mr1 s ALA 457 N 1.50 -1.71 -0.11 0.00 0.00 -1.13 -4.92 121.76 115.39 1mr1 s ALA 457 Ca 0.34 -0.39 -0.03 0.00 0.00 0.00 0.00 51.96 51.87 1mr1 s ALA 457 Cb -0.05 -2.54 -0.03 0.00 0.00 0.00 0.00 23.12 20.49 1mr1 s ALA 457 CO -0.06 -2.20 0.02 0.00 0.00 0.00 0.00 175.76 173.52 1mr1 s ALA 458 N 1.30 3.31 0.00 0.00 0.00 -1.26 -5.10 121.76 120.01 1mr1 s ALA 458 Ca 0.22 -0.78 0.00 0.00 0.00 0.00 0.00 51.96 51.40 1mr1 s ALA 458 Cb -0.04 -1.60 0.00 0.00 0.00 0.00 0.00 23.12 21.48 1mr1 s ALA 458 CO -0.06 0.48 0.00 0.00 0.00 0.00 0.00 175.76 176.17 1mr1 n ALA 459 N 2.54 0.00 0.00 0.00 0.00 -1.26 -5.17 120.51 116.62 1mr1 n ALA 459 Ca -0.18 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.26 1mr1 n ALA 459 Cb 0.53 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.98 1mr1 n ALA 459 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1mr1 n ALA 460 N -3.00 0.00 -2.77 0.00 0.00 -1.26 -5.32 120.51 108.16 1mr1 n ALA 460 Ca 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 53.44 53.42 1mr1 n ALA 460 Cb 0.00 0.00 0.05 0.00 0.00 0.00 0.00 19.45 19.50 1mr1 n ALA 460 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 1mr1 n GLN 461 N 0.00 1.82 0.00 0.00 6.02 -1.26 -5.36 117.38 118.60 1mr1 n GLN 461 Ca 0.00 -3.54 0.00 0.00 -0.01 0.00 0.00 57.00 53.45 1mr1 n GLN 461 Cb 0.00 -1.63 0.00 0.00 1.02 0.00 0.00 30.24 29.63 1mr1 n GLN 461 CO 0.00 0.00 0.00 1.55 -1.01 0.00 0.00 177.06 177.60 1mr1 n VAL 492 N -0.57 0.00 0.66 5.09 3.14 -1.26 -5.36 118.33 120.04 1mr1 n VAL 492 Ca 0.10 0.00 0.10 0.00 -2.96 0.00 0.00 64.34 61.58 1mr1 n VAL 492 Cb 0.81 0.00 0.43 0.00 -1.06 0.00 0.00 33.84 34.02 1mr1 n VAL 492 CO 0.00 0.00 0.00 -0.90 -6.46 0.00 0.00 176.83 169.47 1mr1 n ASP 493 N -0.69 0.08 0.23 6.55 5.75 -1.26 -1.57 116.55 125.64 1mr1 n ASP 493 Ca 0.00 0.52 0.12 0.00 -0.01 0.00 0.00 54.79 55.42 1mr1 n ASP 493 Cb 0.00 -0.53 0.36 0.00 -1.03 0.00 0.00 41.12 39.92 1mr1 n ASP 493 CO 0.00 0.00 0.00 0.44 -0.11 0.00 0.00 177.20 177.53 1mr1 h ASP 494 N 0.00 0.00 1.29 -1.12 3.32 -2.04 -3.03 116.42 114.83 1mr1 h ASP 494 Ca 0.00 0.00 -0.07 0.00 0.02 0.00 0.00 57.03 56.98 1mr1 h ASP 494 Cb 0.36 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.90 1mr1 h ASP 494 CO 0.00 0.10 -0.74 -0.07 -1.72 0.00 0.00 179.24 176.80 1mr1 h LEU 495 N 0.00 0.00 -1.47 1.55 -0.00 -1.72 -3.30 115.31 110.38 1mr1 h LEU 495 Ca -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.88 1mr1 h LEU 495 Cb 0.85 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.51 1mr1 h LEU 495 CO 0.01 0.27 0.00 -2.11 -0.00 0.00 0.00 178.44 176.62 1mr1 n ARG 496 N -2.97 1.93 0.10 1.13 1.85 -1.15 -3.16 116.66 114.38 1mr1 n ARG 496 Ca -0.01 -1.44 0.00 0.00 -1.00 0.00 0.00 57.85 55.41 1mr1 n ARG 496 Cb 0.67 -1.33 -0.03 0.00 -1.05 0.00 0.00 32.46 30.72 1mr1 n ARG 496 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 1mr1 h ARG 497 N 2.39 0.00 0.00 2.89 3.08 -1.64 -3.18 114.38 117.92 1mr1 h ARG 497 Ca 0.00 0.00 -0.06 0.00 0.07 0.00 0.00 59.98 59.99 1mr1 h ARG 497 Cb 0.54 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.58 1mr1 h ARG 497 CO 0.00 0.50 -0.30 -0.07 -1.07 0.00 0.00 179.97 179.03 1mr1 h LEU 498 N 0.00 0.00 -3.46 3.04 3.38 -1.75 -3.03 115.31 113.48 1mr1 h LEU 498 Ca -0.05 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.92 1mr1 h LEU 498 Cb 1.50 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.25 1mr1 h LEU 498 CO 0.07 0.30 0.00 0.00 0.09 0.00 0.00 178.44 178.90 1mr1 s ILE 500 N -2.69 0.98 -0.06 0.00 1.01 -1.15 -2.52 121.20 116.77 1mr1 s ILE 500 Ca 0.52 -1.24 0.03 0.00 0.00 0.00 0.00 60.65 59.97 1mr1 s ILE 500 Cb 0.40 -0.96 0.01 0.00 0.01 0.00 0.00 42.46 41.92 1mr1 s ILE 500 CO 0.15 -0.25 -0.15 -0.76 0.00 0.00 0.00 174.94 173.93 1mr1 s LEU 501 N -1.68 1.77 -0.07 2.97 1.43 0.36 -4.79 118.68 118.67 1mr1 s LEU 501 Ca -0.04 -0.35 0.04 0.00 -1.03 0.00 0.00 54.13 52.76 1mr1 s LEU 501 Cb -0.10 -0.93 -0.00 0.00 0.03 0.00 0.00 46.19 45.18 1mr1 s LEU 501 CO 0.02 0.08 -0.21 -0.13 0.23 0.00 0.00 176.35 176.33 1mr1 s ARG 502 N 0.47 2.46 -0.05 1.70 0.52 -1.14 0.18 118.95 123.10 1mr1 s ARG 502 Ca -0.13 -0.77 -0.04 0.00 -0.52 0.00 0.00 55.73 54.27 1mr1 s ARG 502 Cb -0.15 -1.98 0.02 0.00 0.52 0.00 0.00 34.95 33.35 1mr1 s ARG 502 CO 0.04 0.23 0.13 0.00 0.02 0.00 0.00 175.30 175.72 1mr1 s MET 503 N 0.18 0.14 0.00 3.54 0.23 -1.06 0.12 119.30 122.46 1mr1 s MET 503 Ca -0.11 0.21 -0.02 0.00 -1.03 0.00 0.00 55.69 54.74 1mr1 s MET 503 Cb -0.15 0.04 -0.04 0.00 -1.53 0.00 0.00 34.83 33.15 1mr1 s MET 503 CO 0.05 -0.04 0.18 0.45 -2.03 0.00 0.00 175.02 173.64 1mr1 s SER 504 N 0.23 6.34 -0.04 -1.18 0.15 0.53 -2.02 113.70 117.71 1mr1 s SER 504 Ca -0.01 0.32 -0.15 0.00 0.70 0.00 0.00 55.95 56.80 1mr1 s SER 504 Cb -0.02 -1.98 -0.32 0.00 -1.71 0.00 0.00 66.02 61.99 1mr1 s SER 504 CO -0.01 0.24 0.78 -0.26 1.20 0.00 0.00 173.24 175.19 1mr1 h PHE 505 N 3.68 0.71 0.00 3.44 -1.00 -1.65 0.71 116.94 122.82 1mr1 h PHE 505 Ca -0.48 -0.52 0.00 0.00 2.81 0.00 0.00 57.97 59.78 1mr1 h PHE 505 Cb 1.18 -0.03 0.00 0.00 3.61 0.00 0.00 35.95 40.71 1mr1 h PHE 505 CO 0.66 1.56 -0.17 1.33 -1.61 0.00 0.00 178.31 180.07 1mr1 n VAL 506 N -3.80 0.00 -4.20 -0.55 0.24 -1.26 -4.44 118.33 104.32 1mr1 n VAL 506 Ca -0.21 -0.03 -0.34 0.00 -2.04 0.00 0.00 64.34 61.72 1mr1 n VAL 506 Cb 1.00 0.37 -0.14 0.00 -1.47 0.00 0.00 33.84 33.60 1mr1 n VAL 506 CO 0.00 0.00 0.00 -0.54 -2.14 0.00 0.00 176.83 174.15 1mr1 s LYS 507 N -0.41 3.32 1.12 7.34 -0.14 -1.26 -4.90 119.74 124.81 1mr1 s LYS 507 Ca 0.00 -0.68 -0.19 0.00 -1.36 0.00 0.00 55.97 53.75 1mr1 s LYS 507 Cb 0.00 -2.82 0.26 0.00 -1.68 0.00 0.00 37.83 33.59 1mr1 s LYS 507 CO 0.00 -0.08 1.21 0.20 -0.76 0.00 0.00 175.35 175.93 1mr1 s GLY 508 N 1.11 1.68 -0.25 -3.33 0.00 -1.26 -4.81 107.32 100.46 1mr1 s GLY 508 Ca 0.01 -1.14 -0.20 0.00 0.00 0.00 0.00 44.72 43.38 1mr1 s GLY 508 CO -0.02 -0.27 0.66 0.66 0.00 0.00 0.00 173.10 174.12 1mr1 s TRP 509 N -3.42 -0.82 -5.00 1.90 -2.14 -1.26 -4.65 118.94 103.55 1mr1 s TRP 509 Ca 0.73 1.86 0.00 0.00 2.66 0.00 0.00 56.10 61.35 1mr1 s TRP 509 Cb -0.06 0.37 0.00 0.00 -3.10 0.00 0.00 33.47 30.68 1mr1 s TRP 509 CO 0.55 -0.40 0.00 0.41 -2.66 0.00 0.00 176.95 174.84 1mr1 n GLY 510 N 3.31 0.25 0.38 3.67 0.00 0.26 -4.83 105.19 108.23 1mr1 n GLY 510 Ca -0.16 -1.64 0.18 0.00 0.00 0.00 0.00 46.02 44.39 1mr1 n GLY 510 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1mr1 h PRO 511 N 3.25 0.21 -0.35 1.61 0.11 -1.91 -1.08 132.00 133.83 1mr1 h PRO 511 Ca 0.00 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.10 1mr1 h PRO 511 Cb 0.00 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 31.06 1mr1 h PRO 511 CO 0.00 0.14 0.00 -0.25 -0.21 0.00 0.00 178.00 177.68 1mr1 n ASP 512 N -4.42 2.13 -4.12 -2.05 8.00 -1.26 -4.93 116.55 109.89 1mr1 n ASP 512 Ca 0.12 -1.93 -0.09 0.00 0.71 0.00 0.00 54.79 53.60 1mr1 n ASP 512 Cb 0.58 -0.23 -0.10 0.00 -0.02 0.00 0.00 41.12 41.35 1mr1 n ASP 512 CO 0.00 0.00 0.00 -0.31 -0.39 0.00 0.00 177.20 176.50 1mr1 s TYR 513 N -1.54 0.75 -1.42 1.24 1.51 -0.41 -5.03 117.35 112.45 1mr1 s TYR 513 Ca 0.29 -1.15 0.12 0.00 -1.01 0.00 0.00 57.07 55.32 1mr1 s TYR 513 Cb 0.15 -0.42 0.60 0.00 -0.11 0.00 0.00 41.96 42.18 1mr1 s TYR 513 CO 0.21 -0.51 1.29 -0.35 -1.11 0.00 0.00 175.55 175.08 1mr1 n PRO 514 N -0.07 0.17 -4.36 -1.71 -0.04 -1.26 -4.42 135.00 123.31 1mr1 n PRO 514 Ca -0.07 0.18 -0.34 0.00 -0.04 0.00 0.00 63.50 63.22 1mr1 n PRO 514 Cb 0.63 -1.50 -0.12 0.00 -0.04 0.00 0.00 33.50 32.47 1mr1 n PRO 514 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 1mr1 s ARG 515 N -2.58 3.69 -0.00 0.54 0.52 -1.26 -5.02 118.95 114.84 1mr1 s ARG 515 Ca 0.11 -0.51 -0.18 0.00 -0.52 0.00 0.00 55.73 54.63 1mr1 s ARG 515 Cb 0.08 -2.94 -0.34 0.00 0.52 0.00 0.00 34.95 32.27 1mr1 s ARG 515 CO 0.18 0.24 0.95 0.37 0.02 0.00 0.00 175.30 177.06 1mr1 h GLN 516 N 6.72 0.44 -4.89 3.54 4.15 -1.85 0.75 115.11 123.98 1mr1 h GLN 516 Ca -0.32 -0.75 -0.30 0.00 0.77 0.00 0.00 58.65 58.05 1mr1 h GLN 516 Cb 1.19 0.28 -0.18 0.00 0.21 0.00 0.00 27.48 28.98 1mr1 h GLN 516 CO 0.63 1.36 -0.73 -1.54 -1.93 0.00 0.00 178.83 176.63 1mr1 s SER 517 N -7.33 1.37 0.59 -0.69 1.04 -1.26 -4.35 113.70 103.06 1mr1 s SER 517 Ca -0.11 -0.82 0.29 0.00 0.48 0.00 0.00 55.95 55.79 1mr1 s SER 517 Cb 0.03 0.02 1.40 0.00 0.10 0.00 0.00 66.02 67.57 1mr1 s SER 517 CO 0.90 -0.29 1.80 -0.29 0.98 0.00 0.00 173.24 176.34 1mr1 h ILE 518 N 3.54 0.31 0.00 -1.02 2.10 -1.93 0.20 117.51 120.72 1mr1 h ILE 518 Ca -0.37 0.00 0.00 0.00 1.08 0.00 0.00 64.86 65.57 1mr1 h ILE 518 Cb 1.19 0.50 0.00 0.00 -1.09 0.00 0.00 36.82 37.42 1mr1 h ILE 518 CO 0.54 0.00 0.00 2.29 -1.08 0.00 0.00 178.15 179.90 1mr1 n LYS 519 N -3.70 0.61 -0.00 2.19 2.85 -1.26 -1.65 118.16 117.20 1mr1 n LYS 519 Ca 0.13 0.00 0.08 0.00 -1.05 0.00 0.00 58.31 57.47 1mr1 n LYS 519 Cb 0.87 -1.46 -0.11 0.00 -0.65 0.00 0.00 35.03 33.68 1mr1 n LYS 519 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 177.40 177.74 1mr1 n GLU 520 N -0.96 1.06 -2.52 -1.58 1.02 0.71 -3.10 120.64 115.27 1mr1 n GLU 520 Ca 0.14 -0.04 -0.35 0.00 -0.02 0.00 0.00 57.16 56.89 1mr1 n GLU 520 Cb 0.06 -1.35 -0.03 0.00 -0.02 0.00 0.00 31.44 30.10 1mr1 n GLU 520 CO 0.00 0.00 0.00 0.95 1.18 0.00 0.00 177.13 179.26 1mr1 s THR 521 N -2.79 3.71 0.38 2.62 -4.23 -0.66 -4.81 115.64 109.86 1mr1 s THR 521 Ca 0.03 1.12 0.23 0.00 -1.18 0.00 0.00 61.69 61.89 1mr1 s THR 521 Cb 0.13 -3.48 0.24 0.00 1.34 0.00 0.00 72.50 70.73 1mr1 s THR 521 CO 0.73 -0.18 1.99 1.55 -0.54 0.00 0.00 174.62 178.16 1mr1 h PRO 522 N 1.72 0.00 -1.09 3.99 0.13 -1.91 -0.87 132.00 133.97 1mr1 h PRO 522 Ca -0.49 0.00 0.13 0.00 -0.87 0.00 0.00 66.00 64.77 1mr1 h PRO 522 Cb 1.22 0.00 -0.21 0.00 0.13 0.00 0.00 31.00 32.14 1mr1 h PRO 522 CO 0.59 0.18 -0.06 0.00 -0.23 0.00 0.00 178.00 178.49 1mr1 s TRP 524 N 2.80 1.37 0.02 0.00 1.48 -0.44 -1.83 118.94 122.35 1mr1 s TRP 524 Ca 0.06 -1.46 0.01 0.00 -1.06 0.00 0.00 56.10 53.65 1mr1 s TRP 524 Cb -0.12 -0.48 -0.02 0.00 -1.16 0.00 0.00 33.47 31.70 1mr1 s TRP 524 CO -0.18 -0.88 -0.04 0.96 -4.06 0.00 0.00 176.95 172.75 1mr1 s ILE 525 N -3.56 0.24 -0.12 0.66 -4.36 -0.86 -0.59 121.20 112.62 1mr1 s ILE 525 Ca 0.37 -0.80 -0.01 0.00 -0.26 0.00 0.00 60.65 59.95 1mr1 s ILE 525 Cb 0.03 -0.34 -0.02 0.00 1.25 0.00 0.00 42.46 43.38 1mr1 s ILE 525 CO 0.21 -0.36 -0.09 -0.70 0.24 0.00 0.00 174.94 174.24 1mr1 s GLU 526 N -1.22 3.31 -0.18 0.37 2.12 0.19 -2.57 118.70 120.72 1mr1 s GLU 526 Ca -0.11 -0.60 0.00 0.00 0.36 0.00 0.00 54.97 54.62 1mr1 s GLU 526 Cb -0.08 -2.70 0.01 0.00 0.26 0.00 0.00 34.13 31.61 1mr1 s GLU 526 CO -0.00 0.34 -0.17 0.42 -0.54 0.00 0.00 175.26 175.30 1mr1 s ILE 527 N 0.06 2.37 -0.33 -3.70 1.01 0.13 -1.61 121.20 119.13 1mr1 s ILE 527 Ca -0.03 -0.84 -0.10 0.00 0.00 0.00 0.00 60.65 59.68 1mr1 s ILE 527 Cb -0.14 -2.01 0.01 0.00 0.01 0.00 0.00 42.46 40.33 1mr1 s ILE 527 CO 0.04 0.52 0.16 -1.00 0.00 0.00 0.00 174.94 174.66 1mr1 s HIS 528 N 1.19 3.20 -0.24 3.97 3.76 -0.98 -0.49 115.29 125.71 1mr1 s HIS 528 Ca 0.02 -0.79 -0.28 0.00 -0.15 0.00 0.00 55.06 53.87 1mr1 s HIS 528 Cb -0.14 -2.37 0.01 0.00 1.11 0.00 0.00 32.58 31.18 1mr1 s HIS 528 CO -0.08 -0.55 0.97 -0.51 -0.85 0.00 0.00 174.74 173.72 1mr1 s LEU 529 N 1.57 4.09 0.15 0.89 2.01 -1.05 -2.21 118.68 124.13 1mr1 s LEU 529 Ca 0.03 1.26 -0.12 0.00 0.01 0.00 0.00 54.13 55.31 1mr1 s LEU 529 Cb -0.18 -3.43 0.02 0.00 0.01 0.00 0.00 46.19 42.62 1mr1 s LEU 529 CO 0.06 -0.63 1.61 0.45 1.01 0.00 0.00 176.35 178.85 1mr1 h HIS 530 N 7.55 0.95 -0.51 0.29 3.86 -1.71 -1.46 115.15 124.12 1mr1 h HIS 530 Ca -0.20 -0.16 0.01 0.00 -1.16 0.00 0.00 60.37 58.86 1mr1 h HIS 530 Cb 1.07 -0.25 -0.03 0.00 1.06 0.00 0.00 27.41 29.26 1mr1 h HIS 530 CO 0.75 0.88 0.33 -0.09 0.86 0.00 0.00 177.93 180.66 1mr1 h ARG 531 N 0.74 0.65 -0.08 2.45 9.65 -1.86 0.18 114.38 126.10 1mr1 h ARG 531 Ca 0.14 -0.04 -0.08 0.00 -1.10 0.00 0.00 59.98 58.91 1mr1 h ARG 531 Cb 0.49 -0.15 -0.01 0.00 -1.39 0.00 0.00 29.97 28.91 1mr1 h ARG 531 CO 0.02 0.43 -0.30 0.00 2.80 0.00 0.00 179.97 182.92 1mr1 h ALA 532 N 1.20 1.35 -0.13 2.80 0.00 -1.89 -2.02 119.26 120.56 1mr1 h ALA 532 Ca 0.19 -0.31 -0.11 0.00 0.00 0.00 0.00 54.91 54.68 1mr1 h ALA 532 Cb -0.05 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 1mr1 h ALA 532 CO -0.06 0.46 -0.41 -0.07 0.00 0.00 0.00 179.25 179.17 1mr1 h LEU 533 N 0.14 0.31 0.18 0.00 3.38 0.05 -2.39 115.31 116.99 1mr1 h LEU 533 Ca 0.02 -0.13 -0.01 0.00 0.09 0.00 0.00 57.88 57.85 1mr1 h LEU 533 Cb 0.60 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.27 1mr1 h LEU 533 CO 0.04 0.70 -0.09 1.56 0.09 0.00 0.00 178.44 180.74 1mr1 h GLN 534 N 0.25 -0.24 -0.99 1.13 4.20 -0.02 -1.65 115.11 117.78 1mr1 h GLN 534 Ca 0.02 0.02 0.18 0.00 0.06 0.00 0.00 58.65 58.93 1mr1 h GLN 534 Cb 0.84 0.05 -0.10 0.00 0.30 0.00 0.00 27.48 28.57 1mr1 h GLN 534 CO 0.07 -0.01 0.60 -0.07 -0.67 0.00 0.00 178.83 178.74 1mr1 h LEU 535 N -0.43 0.79 -0.04 1.46 3.38 -1.35 0.30 115.31 119.42 1mr1 h LEU 535 Ca -0.03 0.09 0.02 0.00 0.09 0.00 0.00 57.88 58.05 1mr1 h LEU 535 Cb 0.33 -0.05 -0.02 0.00 0.09 0.00 0.00 40.66 41.01 1mr1 h LEU 535 CO 0.04 0.30 -0.07 0.25 0.09 0.00 0.00 178.44 179.06 1mr1 h LEU 536 N 0.79 -0.19 0.00 1.67 7.12 -1.06 1.19 115.31 124.82 1mr1 h LEU 536 Ca 0.56 0.04 0.00 0.00 0.13 0.00 0.00 57.88 58.61 1mr1 h LEU 536 Cb 0.83 0.09 0.00 0.00 -0.53 0.00 0.00 40.66 41.05 1mr1 h LEU 536 CO -0.37 -0.09 0.00 0.47 -0.13 0.00 0.00 178.44 178.32 1mr1 n ASP 537 N -5.19 0.00 -0.04 1.25 9.92 0.82 -2.37 116.55 120.95 1mr1 n ASP 537 Ca -0.05 -0.72 -0.06 0.00 -0.53 0.00 0.00 54.79 53.43 1mr1 n ASP 537 Cb 0.12 0.00 -0.03 0.00 -0.64 0.00 0.00 41.12 40.56 1mr1 n ASP 537 CO 0.00 0.00 0.00 -0.62 0.13 0.00 0.00 177.20 176.71 1mr1 n GLU 538 N -0.77 0.19 0.29 -1.24 4.71 0.65 -3.98 120.64 120.50 1mr1 n GLU 538 Ca 0.06 0.05 0.19 0.00 -0.01 0.00 0.00 57.16 57.46 1mr1 n GLU 538 Cb 0.03 -1.10 0.99 0.00 -1.01 0.00 0.00 31.44 30.35 1mr1 n GLU 538 CO 0.00 0.00 0.00 0.28 0.09 0.00 0.00 177.13 177.50 1mr1 h VAL 539 N -0.05 0.00 0.06 2.62 2.07 0.16 0.21 116.25 121.33 1mr1 h VAL 539 Ca -0.18 -0.11 -0.36 0.00 0.82 0.00 0.00 66.70 66.87 1mr1 h VAL 539 Cb 1.25 1.01 -0.04 0.00 -1.52 0.00 0.00 31.29 31.99 1mr1 h VAL 539 CO -0.04 0.00 -2.07 0.18 0.02 0.00 0.00 177.57 175.65 1mr1 n LEU 540 N -2.90 2.55 -0.09 2.57 4.77 -1.05 -2.26 117.00 120.59 1mr1 n LEU 540 Ca -0.02 0.16 -0.11 0.00 -0.03 0.00 0.00 56.01 56.01 1mr1 n LEU 540 Cb 0.12 -1.01 -0.04 0.00 -2.33 0.00 0.00 43.42 40.15 1mr1 n LEU 540 CO 0.20 0.77 0.76 0.45 -1.33 0.00 0.00 177.39 178.24 1mr1 h HIS 541 N -0.21 0.51 0.00 -1.77 3.86 -1.61 -3.13 115.15 112.80 1mr1 h HIS 541 Ca -0.48 -0.09 -0.12 0.00 -1.16 0.00 0.00 60.37 58.52 1mr1 h HIS 541 Cb 1.85 -0.13 -0.02 0.00 1.06 0.00 0.00 27.41 30.17 1mr1 h HIS 541 CO 0.05 0.62 -0.55 0.00 0.86 0.00 0.00 177.93 178.92 1mr1 h THR 542 N 0.25 1.26 0.00 2.45 1.03 -0.77 -3.51 112.91 113.63 1mr1 h THR 542 Ca 0.08 -1.97 0.00 0.00 -0.01 0.00 0.00 66.41 64.51 1mr1 h THR 542 Cb 0.42 2.10 0.00 0.00 -1.07 0.00 0.00 68.15 69.60 1mr1 h THR 542 CO 0.01 0.54 0.00 0.80 -0.01 0.00 0.00 175.52 176.86