#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xp1 n LEU 308 N 0.00 1.54 0.00 0.00 4.32 -1.26 -4.36 117.00 117.23 1xp1 n LEU 308 Ca 0.00 -0.69 0.00 0.00 -0.02 0.00 0.00 56.01 55.30 1xp1 n LEU 308 Cb 0.00 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 41.80 1xp1 n LEU 308 CO 0.00 0.30 0.01 -0.24 -1.22 0.00 0.00 177.39 176.24 1xp1 n SER 309 N -0.47 0.04 -4.71 -1.43 2.88 -1.26 -5.07 113.62 103.60 1xp1 n SER 309 Ca 0.07 -0.27 -0.40 0.00 -1.33 0.00 0.00 58.87 56.93 1xp1 n SER 309 Cb 0.36 0.32 0.02 0.00 -0.75 0.00 0.00 64.21 64.16 1xp1 n SER 309 CO 0.00 0.00 0.00 -0.11 -1.23 0.00 0.00 175.04 173.70 1xp1 n LEU 310 N -0.32 4.44 -4.87 2.46 7.94 -1.26 -5.02 117.00 120.37 1xp1 n LEU 310 Ca 0.00 1.07 -0.30 0.00 -1.11 0.00 0.00 56.01 55.67 1xp1 n LEU 310 Cb 0.02 -1.52 0.19 0.00 0.53 0.00 0.00 43.42 42.64 1xp1 n LEU 310 CO 0.00 -0.64 0.83 0.28 -1.11 0.00 0.00 177.39 176.75 1xp1 s THR 311 N -1.23 1.93 0.30 1.96 -1.32 -1.26 -4.81 115.64 111.20 1xp1 s THR 311 Ca 0.64 0.00 0.07 0.00 -1.21 0.00 0.00 61.69 61.19 1xp1 s THR 311 Cb -0.48 -2.90 0.03 0.00 -1.51 0.00 0.00 72.50 67.64 1xp1 s THR 311 CO 0.56 0.00 1.70 0.00 -2.21 0.00 0.00 174.62 174.66 1xp1 h ALA 312 N -1.79 1.11 -0.02 11.08 0.00 -1.94 -0.83 119.26 126.87 1xp1 h ALA 312 Ca -0.45 -0.42 -0.14 0.00 0.00 0.00 0.00 54.91 53.90 1xp1 h ALA 312 Cb 1.25 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.94 1xp1 h ALA 312 CO 0.39 0.60 -0.66 -0.44 0.00 0.00 0.00 179.25 179.13 1xp1 h ASP 313 N 0.18 0.09 0.42 0.00 5.19 -1.96 -2.65 116.42 117.69 1xp1 h ASP 313 Ca 0.01 -0.06 -0.21 0.00 -0.62 0.00 0.00 57.03 56.16 1xp1 h ASP 313 Cb 0.83 -0.03 -0.00 0.00 0.18 0.00 0.00 39.33 40.31 1xp1 h ASP 313 CO 0.07 0.72 -0.89 1.56 -3.12 0.00 0.00 179.24 177.58 1xp1 h GLN 314 N 0.05 0.33 -0.19 3.56 4.20 -1.84 -2.19 115.11 119.03 1xp1 h GLN 314 Ca -0.01 -0.34 -0.03 0.00 0.06 0.00 0.00 58.65 58.33 1xp1 h GLN 314 Cb 1.17 0.09 -0.01 0.00 0.30 0.00 0.00 27.48 29.04 1xp1 h GLN 314 CO 0.09 1.03 -0.01 1.98 -0.67 0.00 0.00 178.83 181.24 1xp1 h MET 315 N 0.19 0.35 0.03 1.46 4.05 -1.15 0.14 114.93 120.01 1xp1 h MET 315 Ca -0.06 -0.12 0.01 0.00 -0.28 0.00 0.00 59.70 59.26 1xp1 h MET 315 Cb 1.51 -0.03 -0.02 0.00 -0.80 0.00 0.00 31.60 32.26 1xp1 h MET 315 CO 0.15 0.57 -0.11 0.28 0.23 0.00 0.00 176.91 178.03 1xp1 h VAL 316 N 0.09 0.74 -0.11 -5.77 2.07 -1.49 0.14 116.25 111.92 1xp1 h VAL 316 Ca 0.05 0.00 -0.09 0.00 0.82 0.00 0.00 66.70 67.48 1xp1 h VAL 316 Cb 0.42 0.74 -0.01 0.00 -1.52 0.00 0.00 31.29 30.92 1xp1 h VAL 316 CO 0.01 0.00 -0.36 -1.28 0.02 0.00 0.00 177.57 175.97 1xp1 h SER 317 N -0.20 0.22 -0.55 0.57 0.87 -1.41 -0.27 113.55 112.78 1xp1 h SER 317 Ca 0.03 -0.08 -0.10 0.00 -1.23 0.00 0.00 61.79 60.41 1xp1 h SER 317 Cb 0.23 -0.06 -0.02 0.00 -0.44 0.00 0.00 62.40 62.11 1xp1 h SER 317 CO -0.08 0.57 -0.02 0.00 -0.53 0.00 0.00 176.83 176.76 1xp1 h ALA 318 N 1.45 0.88 -0.40 6.23 0.00 0.25 -1.97 119.26 125.70 1xp1 h ALA 318 Ca 0.02 -0.31 -0.12 0.00 0.00 0.00 0.00 54.91 54.50 1xp1 h ALA 318 Cb 0.72 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.28 1xp1 h ALA 318 CO 0.05 0.66 -0.22 -0.07 0.00 0.00 0.00 179.25 179.67 1xp1 h LEU 319 N 0.92 0.81 -0.53 0.00 3.38 -0.43 -1.76 115.31 117.71 1xp1 h LEU 319 Ca 0.16 -0.30 -0.11 0.00 0.09 0.00 0.00 57.88 57.73 1xp1 h LEU 319 Cb 0.56 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 41.07 1xp1 h LEU 319 CO 0.03 1.01 -0.09 -0.07 0.09 0.00 0.00 178.44 179.41 1xp1 h LEU 320 N 0.70 1.00 -1.40 1.67 3.38 -0.98 -3.01 115.31 116.67 1xp1 h LEU 320 Ca 0.10 -0.35 -0.06 0.00 0.09 0.00 0.00 57.88 57.66 1xp1 h LEU 320 Cb 0.74 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 41.21 1xp1 h LEU 320 CO 0.06 1.11 -0.25 0.44 0.09 0.00 0.00 178.44 179.89 1xp1 h ASP 321 N 0.87 0.07 0.99 -0.43 3.32 -1.10 -2.92 116.42 117.22 1xp1 h ASP 321 Ca 0.14 -0.02 0.00 0.00 0.02 0.00 0.00 57.03 57.17 1xp1 h ASP 321 Cb 0.66 -0.02 0.00 0.00 0.22 0.00 0.00 39.33 40.19 1xp1 h ASP 321 CO 0.05 0.33 -0.13 0.00 -1.72 0.00 0.00 179.24 177.77 1xp1 n ALA 322 N -2.49 2.57 -1.60 3.45 0.00 -0.68 -4.95 120.51 116.81 1xp1 n ALA 322 Ca -0.02 -0.14 -0.45 0.00 0.00 0.00 0.00 53.44 52.83 1xp1 n ALA 322 Cb 0.32 -1.39 -0.02 0.00 0.00 0.00 0.00 19.45 18.36 1xp1 n ALA 322 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1xp1 n GLU 323 N -1.67 1.42 -1.88 0.00 -0.58 -1.10 -4.62 120.64 112.20 1xp1 n GLU 323 Ca 0.06 0.50 -0.29 0.00 -0.42 0.00 0.00 57.16 57.01 1xp1 n GLU 323 Cb 0.36 -1.92 0.10 0.00 -0.57 0.00 0.00 31.44 29.41 1xp1 n GLU 323 CO 0.00 0.00 0.00 -1.25 -0.48 0.00 0.00 177.13 175.40 1xp1 s PRO 324 N -1.35 1.85 0.60 3.49 0.04 -1.26 -5.03 135.00 133.33 1xp1 s PRO 324 Ca 0.61 0.09 -0.12 0.00 0.04 0.00 0.00 61.00 61.62 1xp1 s PRO 324 Cb -0.71 -1.94 -0.05 0.00 0.04 0.00 0.00 34.50 31.84 1xp1 s PRO 324 CO 0.58 -1.67 1.02 -1.25 0.04 0.00 0.00 177.00 175.72 1xp1 s PRO 325 N -5.58 3.67 -0.28 0.56 0.04 -1.26 -5.02 135.00 127.12 1xp1 s PRO 325 Ca 0.63 0.81 -0.23 0.00 0.04 0.00 0.00 61.00 62.24 1xp1 s PRO 325 Cb -0.11 -2.09 -0.00 0.00 0.04 0.00 0.00 34.50 32.34 1xp1 s PRO 325 CO 0.49 -0.51 0.76 0.42 0.04 0.00 0.00 177.00 178.21 1xp1 s ILE 326 N -3.04 4.85 0.39 0.56 1.09 -1.26 -5.05 121.20 118.73 1xp1 s ILE 326 Ca 0.56 1.27 0.01 0.00 -1.10 0.00 0.00 60.65 61.39 1xp1 s ILE 326 Cb -0.11 -4.09 -0.02 0.00 -1.06 0.00 0.00 42.46 37.18 1xp1 s ILE 326 CO 0.48 -0.15 0.59 -0.76 -0.10 0.00 0.00 174.94 175.01 1xp1 s LEU 327 N 2.83 3.86 0.18 2.97 1.43 -1.26 -5.02 118.68 123.67 1xp1 s LEU 327 Ca 0.32 0.34 0.06 0.00 -1.03 0.00 0.00 54.13 53.81 1xp1 s LEU 327 Cb -0.15 -3.21 -0.04 0.00 0.03 0.00 0.00 46.19 42.82 1xp1 s LEU 327 CO 0.10 -0.47 0.12 -0.31 0.23 0.00 0.00 176.35 176.02 1xp1 s TYR 328 N -2.41 3.10 0.44 0.29 1.51 -1.26 -4.34 117.35 114.68 1xp1 s TYR 328 Ca 0.44 -0.05 -0.23 0.00 -1.01 0.00 0.00 57.07 56.21 1xp1 s TYR 328 Cb -0.10 -1.47 -0.08 0.00 -0.11 0.00 0.00 41.96 40.20 1xp1 s TYR 328 CO 0.36 0.52 1.15 0.45 -1.11 0.00 0.00 175.55 176.92 1xp1 s SER 329 N -3.20 6.33 -0.61 2.29 0.15 -1.26 -4.93 113.70 112.46 1xp1 s SER 329 Ca 0.31 2.27 -0.08 0.00 0.70 0.00 0.00 55.95 59.15 1xp1 s SER 329 Cb -0.10 -2.60 0.16 0.00 -1.71 0.00 0.00 66.02 61.77 1xp1 s SER 329 CO 0.23 -0.81 0.48 -0.70 1.20 0.00 0.00 173.24 173.64 1xp1 s GLU 330 N -2.59 2.76 0.02 5.44 2.12 -1.26 -5.01 118.70 120.18 1xp1 s GLU 330 Ca 0.61 -2.24 -0.24 0.00 0.36 0.00 0.00 54.97 53.47 1xp1 s GLU 330 Cb -0.28 -3.95 0.05 0.00 0.26 0.00 0.00 34.13 30.21 1xp1 s GLU 330 CO 0.34 -1.20 0.54 1.52 -0.54 0.00 0.00 175.26 175.92 1xp1 s TYR 331 N 0.50 -0.46 -0.30 5.30 -0.85 -1.26 -4.98 117.35 115.30 1xp1 s TYR 331 Ca 0.13 0.61 -0.29 0.00 -0.52 0.00 0.00 57.07 57.00 1xp1 s TYR 331 Cb -0.20 0.34 0.02 0.00 0.38 0.00 0.00 41.96 42.50 1xp1 s TYR 331 CO -0.04 -0.62 1.06 0.34 -1.52 0.00 0.00 175.55 174.78 1xp1 s ASP 332 N -1.75 6.96 0.00 -0.18 -1.08 -1.26 -4.88 116.67 114.48 1xp1 s ASP 332 Ca -0.07 1.11 0.27 0.00 -0.52 0.00 0.00 52.55 53.33 1xp1 s ASP 332 Cb -0.01 -2.54 1.60 0.00 -1.46 0.00 0.00 42.92 40.51 1xp1 s ASP 332 CO 0.01 -0.83 2.00 -0.81 0.52 0.00 0.00 175.17 176.06 1xp1 n PRO 333 N 6.75 0.95 -0.34 4.34 -0.04 -1.26 -2.24 135.00 143.16 1xp1 n PRO 333 Ca 0.12 0.00 0.11 0.00 -0.04 0.00 0.00 63.50 63.69 1xp1 n PRO 333 Cb 0.47 -1.44 0.30 0.00 -0.04 0.00 0.00 33.50 32.79 1xp1 n PRO 333 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 1xp1 n THR 334 N -0.94 0.95 -4.39 0.52 -2.24 -1.26 -4.94 114.28 101.97 1xp1 n THR 334 Ca 0.20 -0.97 -0.25 0.00 -2.27 0.00 0.00 64.05 60.76 1xp1 n THR 334 Cb 0.09 0.55 -0.11 0.00 -2.10 0.00 0.00 70.33 68.76 1xp1 n THR 334 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 1xp1 s ARG 335 N -1.05 1.44 1.11 -0.78 3.00 -0.95 -5.15 118.95 116.58 1xp1 s ARG 335 Ca 0.46 -1.50 -0.16 0.00 0.00 0.00 0.00 55.73 54.53 1xp1 s ARG 335 Cb 0.24 -1.65 0.24 0.00 0.00 0.00 0.00 34.95 33.79 1xp1 s ARG 335 CO 0.32 0.35 1.10 -1.25 0.00 0.00 0.00 175.30 175.81 1xp1 s PRO 336 N -2.79 -0.49 -0.17 3.54 0.04 -1.26 -4.96 135.00 128.91 1xp1 s PRO 336 Ca 0.20 0.23 0.13 0.00 0.04 0.00 0.00 61.00 61.60 1xp1 s PRO 336 Cb -0.07 -1.65 -0.20 0.00 0.04 0.00 0.00 34.50 32.62 1xp1 s PRO 336 CO 0.09 -3.29 0.03 0.34 0.04 0.00 0.00 177.00 174.22 1xp1 n PHE 337 N -4.52 0.00 0.33 0.56 7.35 -1.26 -4.42 117.46 115.50 1xp1 n PHE 337 Ca 0.09 0.00 0.21 0.00 -0.76 0.00 0.00 57.45 56.99 1xp1 n PHE 337 Cb 0.58 -0.80 1.12 0.00 0.35 0.00 0.00 39.48 40.73 1xp1 n PHE 337 CO 0.00 0.00 0.00 0.66 -0.76 0.00 0.00 176.76 176.66 1xp1 h SER 338 N 0.00 0.00 0.32 -2.13 4.64 -2.05 -0.63 113.55 113.70 1xp1 h SER 338 Ca -0.44 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.88 1xp1 h SER 338 Cb 1.98 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 64.07 1xp1 h SER 338 CO 0.02 0.00 -0.28 1.21 -0.87 0.00 0.00 176.83 176.91 1xp1 n GLU 339 N -3.13 0.64 -3.31 4.77 2.13 -1.26 -4.90 120.64 115.58 1xp1 n GLU 339 Ca -0.03 -0.35 -0.34 0.00 0.66 0.00 0.00 57.16 57.10 1xp1 n GLU 339 Cb 0.14 -1.49 -0.06 0.00 0.27 0.00 0.00 31.44 30.30 1xp1 n GLU 339 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1xp1 s ALA 340 N -2.60 3.52 -0.39 4.31 0.00 -0.25 -5.04 121.76 121.32 1xp1 s ALA 340 Ca 0.22 -0.10 -0.25 0.00 0.00 0.00 0.00 51.96 51.83 1xp1 s ALA 340 Cb 0.19 -2.57 0.02 0.00 0.00 0.00 0.00 23.12 20.75 1xp1 s ALA 340 CO 0.55 0.44 0.86 0.45 0.00 0.00 0.00 175.76 178.06 1xp1 s SER 341 N -1.91 6.58 0.21 0.00 0.15 -1.26 -4.92 113.70 112.55 1xp1 s SER 341 Ca 0.42 0.37 -0.10 0.00 0.70 0.00 0.00 55.95 57.35 1xp1 s SER 341 Cb -0.14 -2.43 0.16 0.00 -1.71 0.00 0.00 66.02 61.90 1xp1 s SER 341 CO 0.20 -0.85 1.86 -0.03 1.20 0.00 0.00 173.24 175.62 1xp1 h MET 342 N 8.61 1.03 -0.66 5.44 4.05 -1.96 0.12 114.93 131.56 1xp1 h MET 342 Ca -0.24 -0.08 -0.08 0.00 -0.28 0.00 0.00 59.70 59.02 1xp1 h MET 342 Cb 1.08 -0.22 -0.03 0.00 -0.80 0.00 0.00 31.60 31.64 1xp1 h MET 342 CO 0.96 0.71 0.11 1.98 0.23 0.00 0.00 176.91 180.90 1xp1 h MET 343 N 1.04 1.08 -0.07 0.39 1.85 -1.99 0.16 114.93 117.40 1xp1 h MET 343 Ca 0.28 -0.28 0.03 0.00 -0.61 0.00 0.00 59.70 59.12 1xp1 h MET 343 Cb -0.07 -0.13 -0.03 0.00 0.43 0.00 0.00 31.60 31.79 1xp1 h MET 343 CO -0.06 0.99 -0.12 0.78 -0.40 0.00 0.00 176.91 178.10 1xp1 h GLY 344 N 1.05 -0.08 0.47 1.39 0.00 -1.85 0.56 103.07 104.61 1xp1 h GLY 344 Ca 0.20 0.14 0.05 0.00 0.00 0.00 0.00 47.33 47.72 1xp1 h GLY 344 CO 0.01 -0.12 -0.09 1.41 0.00 0.00 0.00 176.54 177.75 1xp1 h LEU 345 N -0.16 -0.30 -0.43 3.11 3.38 -0.41 -1.04 115.31 119.46 1xp1 h LEU 345 Ca 0.07 0.08 -0.12 0.00 0.09 0.00 0.00 57.88 58.00 1xp1 h LEU 345 Cb 0.26 0.18 -0.01 0.00 0.09 0.00 0.00 40.66 41.17 1xp1 h LEU 345 CO -0.17 -0.11 -0.19 -0.07 0.09 0.00 0.00 178.44 177.99 1xp1 h LEU 346 N -0.04 0.91 -0.61 1.67 3.38 -0.55 -2.47 115.31 117.58 1xp1 h LEU 346 Ca 0.12 -0.40 -0.04 0.00 0.09 0.00 0.00 57.88 57.65 1xp1 h LEU 346 Cb 0.22 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 40.70 1xp1 h LEU 346 CO -0.26 1.10 0.23 0.74 0.09 0.00 0.00 178.44 180.34 1xp1 h THR 347 N 0.71 1.24 -0.59 0.22 2.02 0.19 -1.18 112.91 115.52 1xp1 h THR 347 Ca 0.10 -0.75 -0.06 0.00 0.77 0.00 0.00 66.41 66.46 1xp1 h THR 347 Cb 0.75 0.57 -0.03 0.00 -1.74 0.00 0.00 68.15 67.71 1xp1 h THR 347 CO 0.06 0.29 0.11 0.78 0.37 0.00 0.00 175.52 177.13 1xp1 h ASN 348 N 0.86 0.89 0.51 4.18 2.35 -1.10 -0.53 115.58 122.73 1xp1 h ASN 348 Ca 0.20 -0.19 -0.02 0.00 -0.55 0.00 0.00 56.30 55.74 1xp1 h ASN 348 Cb 0.23 -0.23 0.00 0.00 0.05 0.00 0.00 38.32 38.36 1xp1 h ASN 348 CO -0.01 0.89 -0.26 0.25 -1.65 0.00 0.00 177.43 176.64 1xp1 h LEU 349 N 0.89 -0.63 -1.16 1.61 5.85 -1.17 -2.65 115.31 118.05 1xp1 h LEU 349 Ca 0.19 0.03 0.04 0.00 0.84 0.00 0.00 57.88 58.98 1xp1 h LEU 349 Cb 0.37 0.17 -0.05 0.00 0.37 0.00 0.00 40.66 41.52 1xp1 h LEU 349 CO 0.01 -0.44 0.57 0.00 -0.34 0.00 0.00 178.44 178.25 1xp1 h ALA 350 N -0.22 1.48 -0.16 1.25 0.00 -1.08 -1.54 119.26 118.98 1xp1 h ALA 350 Ca -0.07 -0.04 -0.11 0.00 0.00 0.00 0.00 54.91 54.70 1xp1 h ALA 350 Cb 0.55 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 1xp1 h ALA 350 CO 0.10 0.42 -0.37 -0.44 0.00 0.00 0.00 179.25 178.96 1xp1 h ASP 351 N 1.06 0.36 0.45 0.00 3.32 -0.96 -2.75 116.42 117.91 1xp1 h ASP 351 Ca 0.36 -0.15 -0.14 0.00 0.02 0.00 0.00 57.03 57.12 1xp1 h ASP 351 Cb 0.08 -0.10 -0.01 0.00 0.22 0.00 0.00 39.33 39.51 1xp1 h ASP 351 CO -0.11 0.71 -0.62 0.03 -1.72 0.00 0.00 179.24 177.52 1xp1 h ARG 352 N 0.30 0.16 -0.00 3.56 3.08 -1.00 -2.71 114.38 117.77 1xp1 h ARG 352 Ca 0.03 -0.12 -0.07 0.00 0.07 0.00 0.00 59.98 59.90 1xp1 h ARG 352 Cb 0.79 0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.85 1xp1 h ARG 352 CO 0.06 0.73 -0.33 0.93 -1.07 0.00 0.00 179.97 180.29 1xp1 h GLU 353 N 0.12 0.00 -0.48 0.04 5.08 -1.05 -3.14 114.58 115.15 1xp1 h GLU 353 Ca -0.01 -0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 58.31 1xp1 h GLU 353 Cb 1.12 -0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.35 1xp1 h GLU 353 CO 0.09 0.33 0.12 1.25 -1.00 0.00 0.00 179.01 179.81 1xp1 h LEU 354 N 0.00 0.66 -0.53 1.33 5.85 -1.20 0.14 115.31 121.57 1xp1 h LEU 354 Ca -0.00 -0.11 -0.05 0.00 0.84 0.00 0.00 57.88 58.56 1xp1 h LEU 354 Cb 0.59 -0.17 -0.02 0.00 0.37 0.00 0.00 40.66 41.42 1xp1 h LEU 354 CO 0.04 0.65 0.13 0.58 -0.34 0.00 0.00 178.44 179.51 1xp1 h VAL 355 N 0.70 1.24 0.00 1.05 2.07 -1.66 -1.79 116.25 117.86 1xp1 h VAL 355 Ca 0.16 -0.87 -0.05 0.00 0.82 0.00 0.00 66.70 66.76 1xp1 h VAL 355 Cb 0.25 0.79 -0.01 0.00 -1.52 0.00 0.00 31.29 30.81 1xp1 h VAL 355 CO -0.00 0.32 -0.26 0.45 0.02 0.00 0.00 177.57 178.09 1xp1 h HIS 356 N 0.74 0.00 -0.51 1.57 3.86 -1.48 -2.67 115.15 116.66 1xp1 h HIS 356 Ca 0.17 0.00 -0.10 0.00 -1.16 0.00 0.00 60.37 59.27 1xp1 h HIS 356 Cb 0.34 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 28.79 1xp1 h HIS 356 CO 0.02 0.26 -0.10 1.98 0.86 0.00 0.00 177.93 180.96 1xp1 h MET 357 N 0.00 0.95 -0.69 2.45 -1.53 0.08 0.22 114.93 116.41 1xp1 h MET 357 Ca -0.00 -0.33 -0.06 0.00 -3.44 0.00 0.00 59.70 55.87 1xp1 h MET 357 Cb 0.48 -0.07 -0.03 0.00 -0.55 0.00 0.00 31.60 31.43 1xp1 h MET 357 CO 0.03 0.99 0.19 0.82 0.14 0.00 0.00 176.91 179.09 1xp1 h ILE 358 N 0.85 1.26 0.02 1.77 1.08 -1.12 0.46 117.51 121.82 1xp1 h ILE 358 Ca 0.14 -0.91 0.02 0.00 -0.39 0.00 0.00 64.86 63.71 1xp1 h ILE 358 Cb 0.63 0.54 -0.02 0.00 -3.07 0.00 0.00 36.82 34.90 1xp1 h ILE 358 CO 0.04 0.35 -0.10 0.78 -0.69 0.00 0.00 178.15 178.53 1xp1 h ASN 359 N 1.02 -0.29 -0.34 1.72 2.35 -1.19 -2.19 115.58 116.66 1xp1 h ASN 359 Ca 0.22 0.04 0.03 0.00 -0.55 0.00 0.00 56.30 56.04 1xp1 h ASN 359 Cb 0.33 0.12 -0.03 0.00 0.05 0.00 0.00 38.32 38.79 1xp1 h ASN 359 CO -0.00 -0.15 0.16 -0.25 -1.65 0.00 0.00 177.43 175.54 1xp1 h TRP 360 N -0.18 0.29 -0.76 1.19 7.01 -0.60 -2.70 115.95 120.20 1xp1 h TRP 360 Ca 0.03 0.02 0.01 0.00 2.11 0.00 0.00 58.89 61.06 1xp1 h TRP 360 Cb 0.22 -0.08 -0.04 0.00 -2.10 0.00 0.00 29.16 27.16 1xp1 h TRP 360 CO -0.16 0.15 0.50 0.00 -2.79 0.00 0.00 178.44 176.14 1xp1 h ALA 361 N 1.19 1.46 0.00 2.65 0.00 -0.66 0.21 119.26 124.12 1xp1 h ALA 361 Ca 0.15 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.01 1xp1 h ALA 361 Cb 0.08 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 17.56 1xp1 h ALA 361 CO -0.12 0.50 0.00 0.87 0.00 0.00 0.00 179.25 180.50 1xp1 h LYS 362 N 1.03 0.00 -0.02 0.00 1.57 -1.07 -1.54 116.57 116.54 1xp1 h LYS 362 Ca 0.28 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.06 1xp1 h LYS 362 Cb -0.12 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.19 1xp1 h LYS 362 CO -0.06 0.00 -0.36 0.54 -0.57 0.00 0.00 179.45 179.00 1xp1 n ARG 363 N -2.78 1.36 -2.18 3.15 1.74 0.72 -4.57 116.66 114.09 1xp1 n ARG 363 Ca -0.01 -1.10 -0.42 0.00 -0.77 0.00 0.00 57.85 55.55 1xp1 n ARG 363 Cb 0.15 -1.48 -0.03 0.00 -1.02 0.00 0.00 32.46 30.09 1xp1 n ARG 363 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 1xp1 s VAL 364 N -2.39 3.61 -0.09 1.55 1.01 -0.58 -4.83 120.40 118.69 1xp1 s VAL 364 Ca 0.21 1.01 -0.35 0.00 0.00 0.00 0.00 61.98 62.85 1xp1 s VAL 364 Cb 0.19 -3.65 -0.13 0.00 0.00 0.00 0.00 36.38 32.79 1xp1 s VAL 364 CO 0.52 -0.00 1.80 -2.65 0.00 0.00 0.00 175.10 174.77 1xp1 n PRO 365 N 5.38 1.95 0.00 2.72 -0.02 -1.26 -2.10 135.00 141.67 1xp1 n PRO 365 Ca 0.13 0.71 0.00 0.00 -2.02 0.00 0.00 63.50 62.33 1xp1 n PRO 365 Cb 0.43 -2.51 0.00 0.00 -0.02 0.00 0.00 33.50 31.40 1xp1 n PRO 365 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1xp1 n GLY 366 N 4.18 3.11 0.13 -1.23 0.00 -1.26 -4.83 105.19 105.28 1xp1 n GLY 366 Ca 0.22 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 46.11 1xp1 n GLY 366 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 1xp1 h PHE 367 N 0.00 -0.23 0.00 1.61 3.57 -1.70 -2.54 116.94 117.66 1xp1 h PHE 367 Ca 0.00 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.49 1xp1 h PHE 367 Cb 0.00 0.07 0.00 0.00 2.79 0.00 0.00 35.95 38.81 1xp1 h PHE 367 CO 0.00 -0.13 0.00 1.33 -2.23 0.00 0.00 178.31 177.28 1xp1 n VAL 368 N -5.19 0.33 0.82 1.41 0.24 -1.26 -1.88 118.33 112.80 1xp1 n VAL 368 Ca -0.09 0.08 0.14 0.00 -2.04 0.00 0.00 64.34 62.43 1xp1 n VAL 368 Cb 0.13 -0.74 0.52 0.00 -1.47 0.00 0.00 33.84 32.27 1xp1 n VAL 368 CO 0.00 0.00 0.00 0.47 -2.14 0.00 0.00 176.83 175.16 1xp1 n ASP 369 N -1.25 0.38 -4.78 -1.34 8.00 -0.96 -4.81 116.55 111.80 1xp1 n ASP 369 Ca 0.10 0.54 -0.31 0.00 0.71 0.00 0.00 54.79 55.83 1xp1 n ASP 369 Cb 0.15 -0.64 0.08 0.00 -0.02 0.00 0.00 41.12 40.70 1xp1 n ASP 369 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1xp1 s LEU 370 N -3.72 3.06 0.74 0.64 1.43 -0.79 -5.04 118.68 115.01 1xp1 s LEU 370 Ca 0.12 1.79 -0.13 0.00 -1.03 0.00 0.00 54.13 54.89 1xp1 s LEU 370 Cb 0.16 -4.52 0.04 0.00 0.03 0.00 0.00 46.19 41.91 1xp1 s LEU 370 CO 0.56 -1.91 1.13 0.42 0.23 0.00 0.00 176.35 176.77 1xp1 s THR 371 N -2.91 2.94 0.20 5.49 -4.23 -1.26 -4.84 115.64 111.02 1xp1 s THR 371 Ca 0.61 0.38 -0.11 0.00 -1.18 0.00 0.00 61.69 61.39 1xp1 s THR 371 Cb -0.17 -2.83 0.13 0.00 1.34 0.00 0.00 72.50 70.97 1xp1 s THR 371 CO 0.55 -0.33 1.85 0.25 -0.54 0.00 0.00 174.62 176.40 1xp1 h LEU 372 N -0.65 0.70 -0.79 4.79 5.85 -1.96 -0.59 115.31 122.65 1xp1 h LEU 372 Ca -0.45 -0.01 0.07 0.00 0.84 0.00 0.00 57.88 58.33 1xp1 h LEU 372 Cb 1.25 -0.16 -0.06 0.00 0.37 0.00 0.00 40.66 42.07 1xp1 h LEU 372 CO 0.51 0.49 0.47 -0.74 -0.34 0.00 0.00 178.44 178.82 1xp1 h HIS 373 N 0.83 0.86 -0.10 1.25 -0.00 -2.00 -1.20 115.15 114.79 1xp1 h HIS 373 Ca 0.26 0.03 -0.16 0.00 -0.00 0.00 0.00 60.37 60.50 1xp1 h HIS 373 Cb -0.02 -0.27 -0.01 0.00 -0.00 0.00 0.00 27.41 27.12 1xp1 h HIS 373 CO -0.04 0.41 -0.62 -0.44 -0.00 0.00 0.00 177.93 177.24 1xp1 h ASP 374 N 0.84 0.39 -0.83 3.26 3.32 -1.72 -2.00 116.42 119.69 1xp1 h ASP 374 Ca 0.35 -0.22 -0.03 0.00 0.02 0.00 0.00 57.03 57.15 1xp1 h ASP 374 Cb 0.21 -0.11 -0.04 0.00 0.22 0.00 0.00 39.33 39.61 1xp1 h ASP 374 CO -0.19 0.91 0.42 1.56 -1.72 0.00 0.00 179.24 180.22 1xp1 h GLN 375 N 0.25 1.18 -0.24 3.56 4.20 -0.66 -1.63 115.11 121.78 1xp1 h GLN 375 Ca -0.01 -0.16 -0.01 0.00 0.06 0.00 0.00 58.65 58.53 1xp1 h GLN 375 Cb 1.14 -0.22 -0.01 0.00 0.30 0.00 0.00 27.48 28.69 1xp1 h GLN 375 CO 0.10 0.89 0.10 0.28 -0.67 0.00 0.00 178.83 179.53 1xp1 h VAL 376 N 1.16 1.16 -0.22 -0.54 2.07 -1.02 -2.54 116.25 116.33 1xp1 h VAL 376 Ca 0.29 -0.50 0.04 0.00 0.82 0.00 0.00 66.70 67.35 1xp1 h VAL 376 Cb 0.09 1.05 -0.04 0.00 -1.52 0.00 0.00 31.29 30.87 1xp1 h VAL 376 CO -0.04 0.17 -0.04 -0.74 0.02 0.00 0.00 177.57 176.94 1xp1 h HIS 377 N 0.24 -0.09 -0.63 1.57 -0.00 -1.09 0.11 115.15 115.25 1xp1 h HIS 377 Ca 0.08 0.02 -0.05 0.00 -0.00 0.00 0.00 60.37 60.42 1xp1 h HIS 377 Cb 0.17 0.07 -0.03 0.00 -0.00 0.00 0.00 27.41 27.62 1xp1 h HIS 377 CO -0.01 -0.08 0.20 -0.07 -0.00 0.00 0.00 177.93 177.97 1xp1 h LEU 378 N 0.02 0.92 -0.56 0.26 3.38 -1.19 -1.26 115.31 116.88 1xp1 h LEU 378 Ca 0.11 -0.21 -0.13 0.00 0.09 0.00 0.00 57.88 57.73 1xp1 h LEU 378 Cb 0.15 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.65 1xp1 h LEU 378 CO -0.21 0.89 -0.29 -0.07 0.09 0.00 0.00 178.44 178.85 1xp1 h LEU 379 N 0.91 0.88 -1.40 1.67 3.38 -1.25 -1.06 115.31 118.44 1xp1 h LEU 379 Ca 0.20 -0.35 -0.00 0.00 0.09 0.00 0.00 57.88 57.82 1xp1 h LEU 379 Cb 0.29 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 40.77 1xp1 h LEU 379 CO -0.01 1.10 0.34 -0.08 0.09 0.00 0.00 178.44 179.89 1xp1 h GLU 380 N 0.72 0.75 0.07 1.13 4.81 -0.48 -0.78 114.58 120.80 1xp1 h GLU 380 Ca 0.08 -0.06 -0.25 0.00 -0.13 0.00 0.00 59.36 59.01 1xp1 h GLU 380 Cb 0.84 -0.16 -0.00 0.00 0.63 0.00 0.00 28.75 30.05 1xp1 h GLU 380 CO 0.07 0.52 -1.11 0.00 -0.73 0.00 0.00 179.01 177.77 1xp1 n ALA 382 N -2.50 3.62 -0.21 0.00 0.00 -0.43 -4.69 120.51 116.30 1xp1 n ALA 382 Ca -0.06 -0.51 0.03 0.00 0.00 0.00 0.00 53.44 52.89 1xp1 n ALA 382 Cb 0.95 -0.59 0.28 0.00 0.00 0.00 0.00 19.45 20.09 1xp1 n ALA 382 CO 0.00 0.00 0.00 0.11 0.00 0.00 0.00 177.50 177.61 1xp1 h TRP 383 N 1.05 0.89 0.11 0.00 5.08 -1.34 0.34 115.95 122.09 1xp1 h TRP 383 Ca 0.00 0.02 -0.29 0.00 1.08 0.00 0.00 58.89 59.70 1xp1 h TRP 383 Cb 0.49 -0.30 0.02 0.00 -3.00 0.00 0.00 29.16 26.37 1xp1 h TRP 383 CO 0.00 0.53 -1.22 1.25 -1.28 0.00 0.00 178.44 177.72 1xp1 h LEU 384 N 0.93 0.77 -0.78 0.11 5.85 -1.86 -1.55 115.31 118.78 1xp1 h LEU 384 Ca 0.29 -0.72 0.12 0.00 0.84 0.00 0.00 57.88 58.41 1xp1 h LEU 384 Cb 0.02 -0.24 -0.08 0.00 0.37 0.00 0.00 40.66 40.73 1xp1 h LEU 384 CO -0.08 1.53 0.40 -0.33 -0.34 0.00 0.00 178.44 179.62 1xp1 h GLU 385 N 0.24 0.61 -0.10 1.25 5.08 -1.69 0.16 114.58 120.13 1xp1 h GLU 385 Ca -0.17 -0.04 -0.02 0.00 -1.00 0.00 0.00 59.36 58.13 1xp1 h GLU 385 Cb 1.89 -0.14 -0.00 0.00 0.50 0.00 0.00 28.75 31.00 1xp1 h GLU 385 CO 0.23 0.40 -0.01 0.82 -1.00 0.00 0.00 179.01 179.45 1xp1 h ILE 386 N 0.63 1.27 -0.70 3.13 2.04 -0.81 -0.23 117.51 122.84 1xp1 h ILE 386 Ca 0.40 -0.88 0.05 0.00 1.00 0.00 0.00 64.86 65.44 1xp1 h ILE 386 Cb 0.49 1.65 -0.05 0.00 -0.74 0.00 0.00 36.82 38.16 1xp1 h ILE 386 CO -0.31 0.25 0.41 -0.07 0.00 0.00 0.00 178.15 178.42 1xp1 h LEU 387 N -0.11 0.62 -0.36 1.44 3.38 -0.95 -2.47 115.31 116.86 1xp1 h LEU 387 Ca 0.03 0.02 -0.11 0.00 0.09 0.00 0.00 57.88 57.91 1xp1 h LEU 387 Cb 0.39 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 41.03 1xp1 h LEU 387 CO 0.01 0.41 -0.21 0.24 0.09 0.00 0.00 178.44 178.97 1xp1 h MET 388 N 0.75 0.78 -0.07 1.13 2.86 -0.36 -0.82 114.93 119.21 1xp1 h MET 388 Ca 0.31 -0.36 -0.04 0.00 -2.06 0.00 0.00 59.70 57.55 1xp1 h MET 388 Cb 0.16 -0.01 -0.01 0.00 0.06 0.00 0.00 31.60 31.79 1xp1 h MET 388 CO -0.17 0.98 -0.14 0.97 1.06 0.00 0.00 176.91 179.62 1xp1 h ILE 389 N 0.57 1.14 -0.37 -1.22 2.10 -0.92 0.34 117.51 119.16 1xp1 h ILE 389 Ca 0.08 -0.64 -0.01 0.00 1.08 0.00 0.00 64.86 65.36 1xp1 h ILE 389 Cb 0.76 1.24 -0.02 0.00 -1.09 0.00 0.00 36.82 37.72 1xp1 h ILE 389 CO 0.06 0.19 0.17 1.23 -1.08 0.00 0.00 178.15 178.73 1xp1 h GLY 390 N 0.59 0.57 0.97 8.18 0.00 -1.09 0.05 103.07 112.35 1xp1 h GLY 390 Ca 0.02 -0.29 -0.06 0.00 0.00 0.00 0.00 47.33 47.00 1xp1 h GLY 390 CO 0.02 0.27 0.03 -2.00 0.00 0.00 0.00 176.54 174.86 1xp1 h LEU 391 N 0.46 0.75 -1.00 3.11 5.85 -0.19 -2.00 115.31 122.29 1xp1 h LEU 391 Ca 0.13 -0.29 -0.08 0.00 0.84 0.00 0.00 57.88 58.48 1xp1 h LEU 391 Cb 0.13 -0.20 -0.02 0.00 0.37 0.00 0.00 40.66 40.94 1xp1 h LEU 391 CO -0.02 0.86 -0.14 -0.37 -0.34 0.00 0.00 178.44 178.43 1xp1 h VAL 392 N 0.63 1.24 -0.26 1.05 -1.51 -0.83 -1.05 116.25 115.52 1xp1 h VAL 392 Ca 0.13 -1.10 -0.02 0.00 -1.23 0.00 0.00 66.70 64.48 1xp1 h VAL 392 Cb 0.45 1.16 -0.01 0.00 -2.13 0.00 0.00 31.29 30.76 1xp1 h VAL 392 CO 0.02 0.36 0.07 -0.25 -1.23 0.00 0.00 177.57 176.54 1xp1 h TRP 393 N 0.51 0.44 -0.00 5.19 2.91 -0.77 -2.47 115.95 121.76 1xp1 h TRP 393 Ca 0.09 -0.05 0.00 0.00 1.13 0.00 0.00 58.89 60.06 1xp1 h TRP 393 Cb 0.55 -0.12 0.00 0.00 -0.51 0.00 0.00 29.16 29.07 1xp1 h TRP 393 CO 0.02 0.49 -0.05 2.89 -1.03 0.00 0.00 178.44 180.76 1xp1 n ARG 394 N -4.71 0.08 0.02 2.65 1.85 -0.77 -2.83 116.66 112.94 1xp1 n ARG 394 Ca -0.03 -0.01 0.12 0.00 -1.00 0.00 0.00 57.85 56.94 1xp1 n ARG 394 Cb 0.17 -1.50 0.32 0.00 -1.05 0.00 0.00 32.46 30.40 1xp1 n ARG 394 CO 0.00 0.00 0.00 0.43 -0.01 0.00 0.00 177.63 178.05 1xp1 n SER 395 N -1.46 0.46 -0.29 2.89 7.64 -0.41 -4.47 113.62 117.99 1xp1 n SER 395 Ca 0.08 0.05 0.10 0.00 1.01 0.00 0.00 58.87 60.11 1xp1 n SER 395 Cb 0.33 0.01 0.26 0.00 -1.01 0.00 0.00 64.21 63.79 1xp1 n SER 395 CO 0.00 0.00 0.00 -0.03 -3.01 0.00 0.00 175.04 172.00 1xp1 h MET 396 N 0.00 0.41 -0.63 1.43 -1.53 -1.29 0.10 114.93 113.42 1xp1 h MET 396 Ca 0.00 -0.02 0.00 0.00 -3.44 0.00 0.00 59.70 56.24 1xp1 h MET 396 Cb 0.58 -0.09 0.00 0.00 -0.55 0.00 0.00 31.60 31.53 1xp1 h MET 396 CO 0.00 0.27 0.00 0.39 0.14 0.00 0.00 176.91 177.71 1xp1 n GLU 397 N -5.03 2.22 -3.23 0.39 1.02 -1.26 -4.38 120.64 110.36 1xp1 n GLU 397 Ca 0.19 -1.17 -0.24 0.00 -0.02 0.00 0.00 57.16 55.91 1xp1 n GLU 397 Cb 0.55 -1.59 -0.07 0.00 -0.02 0.00 0.00 31.44 30.32 1xp1 n GLU 397 CO 0.00 0.00 0.00 0.72 1.18 0.00 0.00 177.13 179.03 1xp1 n HIS 398 N 0.29 0.82 -1.53 -0.32 8.25 0.36 -5.10 115.22 117.99 1xp1 n HIS 398 Ca 0.11 -3.75 -0.60 0.00 -0.26 0.00 0.00 57.72 53.22 1xp1 n HIS 398 Cb 0.48 -0.41 -0.08 0.00 1.12 0.00 0.00 29.99 31.10 1xp1 n HIS 398 CO 0.00 0.00 0.00 -2.30 0.64 0.00 0.00 176.34 174.68 1xp1 n PRO 399 N 1.09 0.02 -0.94 -0.41 -0.02 -1.26 -0.41 135.00 133.08 1xp1 n PRO 399 Ca 0.24 0.01 0.00 0.00 -2.02 0.00 0.00 63.50 61.73 1xp1 n PRO 399 Cb 0.51 -1.51 0.00 0.00 -0.02 0.00 0.00 33.50 32.48 1xp1 n PRO 399 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1xp1 n GLY 400 N 1.78 0.85 3.20 -1.23 0.00 -1.26 -5.00 105.19 103.53 1xp1 n GLY 400 Ca 0.21 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 46.07 1xp1 n GLY 400 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1xp1 s LYS 401 N -0.14 0.90 -0.23 1.61 1.02 0.45 -4.19 119.74 119.17 1xp1 s LYS 401 Ca 0.00 -1.15 -0.06 0.00 0.02 0.00 0.00 55.97 54.77 1xp1 s LYS 401 Cb 0.00 -0.71 -0.02 0.00 -0.52 0.00 0.00 37.83 36.58 1xp1 s LYS 401 CO 0.00 0.13 0.03 -0.51 -0.92 0.00 0.00 175.35 174.08 1xp1 s LEU 402 N -2.34 3.32 -1.21 3.17 1.43 0.83 -4.76 118.68 119.11 1xp1 s LEU 402 Ca 0.05 -0.22 -0.14 0.00 -1.03 0.00 0.00 54.13 52.79 1xp1 s LEU 402 Cb -0.05 -1.87 0.17 0.00 0.03 0.00 0.00 46.19 44.47 1xp1 s LEU 402 CO 0.01 0.00 1.45 -0.22 0.23 0.00 0.00 176.35 177.83 1xp1 s LEU 403 N 1.36 5.00 0.24 1.79 2.96 -1.26 -1.47 118.68 127.29 1xp1 s LEU 403 Ca 0.05 -2.99 -0.07 0.00 -0.22 0.00 0.00 54.13 50.90 1xp1 s LEU 403 Cb -0.15 -2.41 0.22 0.00 0.50 0.00 0.00 46.19 44.36 1xp1 s LEU 403 CO 0.02 -0.76 1.90 -0.26 -1.32 0.00 0.00 176.35 175.93 1xp1 h PHE 404 N 7.15 1.18 -3.05 5.38 0.04 -1.50 -3.44 116.94 122.71 1xp1 h PHE 404 Ca 0.32 0.02 -0.05 0.00 2.80 0.00 0.00 57.97 61.05 1xp1 h PHE 404 Cb 0.87 -0.40 -0.15 0.00 2.20 0.00 0.00 35.95 38.48 1xp1 h PHE 404 CO 1.12 0.76 0.00 0.00 -0.60 0.00 0.00 178.31 179.59 1xp1 s ALA 405 N -6.06 -1.18 0.59 2.45 0.00 -0.97 -4.95 121.76 111.64 1xp1 s ALA 405 Ca -0.13 0.32 0.29 0.00 0.00 0.00 0.00 51.96 52.44 1xp1 s ALA 405 Cb 0.17 0.55 1.50 0.00 0.00 0.00 0.00 23.12 25.34 1xp1 s ALA 405 CO 0.81 -0.58 1.92 -1.35 0.00 0.00 0.00 175.76 176.56 1xp1 h PRO 406 N 2.57 0.00 -0.34 0.00 0.11 -1.86 0.63 132.00 133.11 1xp1 h PRO 406 Ca -0.32 0.00 -0.11 0.00 0.11 0.00 0.00 66.00 65.68 1xp1 h PRO 406 Cb 1.24 0.00 -0.07 0.00 0.11 0.00 0.00 31.00 32.28 1xp1 h PRO 406 CO 0.43 0.00 -0.00 0.27 -0.21 0.00 0.00 178.00 178.49 1xp1 n ASN 407 N -3.69 3.22 -3.14 -2.05 6.94 -1.26 -4.75 115.26 110.53 1xp1 n ASN 407 Ca 0.07 -3.40 -0.10 0.00 -0.02 0.00 0.00 54.58 51.13 1xp1 n ASN 407 Cb 0.61 -0.60 -0.04 0.00 -2.36 0.00 0.00 39.78 37.40 1xp1 n ASN 407 CO 0.00 0.00 0.00 -0.22 -1.03 0.00 0.00 177.26 176.01 1xp1 s LEU 408 N -3.05 -0.64 -0.31 -4.53 2.96 0.22 -4.85 118.68 108.49 1xp1 s LEU 408 Ca 0.44 -1.67 -0.05 0.00 -0.22 0.00 0.00 54.13 52.63 1xp1 s LEU 408 Cb 0.38 1.18 0.03 0.00 0.50 0.00 0.00 46.19 48.28 1xp1 s LEU 408 CO 0.05 -0.16 0.05 -0.22 -1.32 0.00 0.00 176.35 174.76 1xp1 s LEU 409 N 1.13 3.97 0.04 -0.68 2.96 -1.25 -1.17 118.68 123.69 1xp1 s LEU 409 Ca 0.23 -1.04 0.07 0.00 -0.22 0.00 0.00 54.13 53.18 1xp1 s LEU 409 Cb -0.05 -1.81 -0.03 0.00 0.50 0.00 0.00 46.19 44.80 1xp1 s LEU 409 CO -0.07 -0.26 -0.19 -0.76 -1.32 0.00 0.00 176.35 173.75 1xp1 s LEU 410 N 1.38 2.54 0.54 -0.68 1.43 -0.54 -4.93 118.68 118.42 1xp1 s LEU 410 Ca -0.01 -0.46 0.09 0.00 -1.03 0.00 0.00 54.13 52.72 1xp1 s LEU 410 Cb -0.19 -1.48 0.07 0.00 0.03 0.00 0.00 46.19 44.63 1xp1 s LEU 410 CO 0.01 0.25 0.75 1.51 0.23 0.00 0.00 176.35 179.10 1xp1 s ASP 411 N -1.43 5.20 0.18 2.29 1.47 -1.26 -0.12 116.67 123.00 1xp1 s ASP 411 Ca 0.14 -0.74 -0.10 0.00 1.18 0.00 0.00 52.55 53.04 1xp1 s ASP 411 Cb -0.10 0.07 0.07 0.00 -0.34 0.00 0.00 42.92 42.62 1xp1 s ASP 411 CO 0.05 -1.23 1.67 0.08 0.68 0.00 0.00 175.17 176.42 1xp1 h ARG 412 N 0.26 1.03 -0.16 2.11 0.11 -1.97 -1.51 114.38 114.24 1xp1 h ARG 412 Ca -0.32 -0.28 0.05 0.00 0.10 0.00 0.00 59.98 59.52 1xp1 h ARG 412 Cb 1.29 -0.12 -0.01 0.00 1.11 0.00 0.00 29.97 32.24 1xp1 h ARG 412 CO 0.42 0.97 0.12 -0.91 0.10 0.00 0.00 179.97 180.67 1xp1 h ASN 413 N 0.94 0.00 0.85 0.08 4.21 -1.96 0.40 115.58 120.11 1xp1 h ASN 413 Ca 0.19 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.70 1xp1 h ASN 413 Cb 0.44 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.64 1xp1 h ASN 413 CO 0.01 0.00 0.00 0.00 -1.29 0.00 0.00 177.43 176.15 1xp1 n GLN 414 N -4.40 0.17 0.09 0.81 6.02 -0.58 -2.52 117.38 116.96 1xp1 n GLN 414 Ca 0.01 0.34 0.05 0.00 -0.01 0.00 0.00 57.00 57.38 1xp1 n GLN 414 Cb 0.25 -1.78 -0.02 0.00 1.02 0.00 0.00 30.24 29.71 1xp1 n GLN 414 CO 0.00 0.00 0.00 0.78 -1.01 0.00 0.00 177.06 176.83 1xp1 h GLY 415 N 2.86 0.00 2.00 1.08 0.00 -0.11 -3.28 103.07 105.62 1xp1 h GLY 415 Ca 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.33 1xp1 h GLY 415 CO 0.00 0.00 -0.01 0.50 0.00 0.00 0.00 176.54 177.03 1xp1 h LYS 416 N 0.00 0.00 -0.58 4.80 1.57 -1.28 -0.63 116.57 120.45 1xp1 h LYS 416 Ca -0.07 0.00 0.17 0.00 -1.87 0.00 0.00 60.65 58.88 1xp1 h LYS 416 Cb 1.34 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.63 1xp1 h LYS 416 CO 0.03 0.01 0.47 0.00 -0.57 0.00 0.00 179.45 179.39 1xp1 s VAL 418 N -4.87 3.12 -0.09 0.00 1.01 -0.24 -5.07 120.40 114.26 1xp1 s VAL 418 Ca -0.05 -0.63 -0.35 0.00 0.00 0.00 0.00 61.98 60.95 1xp1 s VAL 418 Cb 0.19 -2.32 -0.13 0.00 0.00 0.00 0.00 36.38 34.12 1xp1 s VAL 418 CO 0.68 0.52 1.80 1.21 0.00 0.00 0.00 175.10 179.31 1xp1 n GLU 419 N 3.58 1.96 -0.96 2.72 2.13 -1.26 -1.10 120.64 127.71 1xp1 n GLU 419 Ca -0.18 0.72 0.00 0.00 0.66 0.00 0.00 57.16 58.36 1xp1 n GLU 419 Cb 0.53 -2.52 0.00 0.00 0.27 0.00 0.00 31.44 29.72 1xp1 n GLU 419 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1xp1 n GLY 420 N 4.19 0.55 0.09 8.31 0.00 -1.26 -4.91 105.19 112.16 1xp1 n GLY 420 Ca 0.22 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.22 1xp1 n GLY 420 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 173.32 175.30 1xp1 h MET 421 N 1.40 0.00 -0.20 1.61 4.05 -1.32 -3.33 114.93 117.14 1xp1 h MET 421 Ca 0.00 0.00 -0.02 0.00 -0.28 0.00 0.00 59.70 59.40 1xp1 h MET 421 Cb 0.13 0.00 -0.01 0.00 -0.80 0.00 0.00 31.60 30.92 1xp1 h MET 421 CO 0.00 0.37 0.02 -0.24 0.23 0.00 0.00 176.91 177.29 1xp1 h VAL 422 N 0.00 1.12 -0.71 -5.77 3.04 -1.72 -0.58 116.25 111.62 1xp1 h VAL 422 Ca -0.18 -0.43 -0.01 0.00 -1.01 0.00 0.00 66.70 65.07 1xp1 h VAL 422 Cb 1.69 0.95 -0.03 0.00 -2.01 0.00 0.00 31.29 31.89 1xp1 h VAL 422 CO 0.06 0.15 0.41 -0.33 -1.01 0.00 0.00 177.57 176.84 1xp1 h GLU 423 N 0.28 0.97 -0.19 4.17 3.07 -1.94 0.49 114.58 121.43 1xp1 h GLU 423 Ca 0.07 -0.10 -0.06 0.00 -0.50 0.00 0.00 59.36 58.76 1xp1 h GLU 423 Cb 0.16 -0.20 -0.00 0.00 -0.84 0.00 0.00 28.75 27.87 1xp1 h GLU 423 CO 0.00 0.71 -0.14 0.82 -1.40 0.00 0.00 179.01 179.00 1xp1 h ILE 424 N 0.97 1.32 -0.51 3.13 1.08 -1.46 -2.82 117.51 119.23 1xp1 h ILE 424 Ca 0.25 -1.25 0.09 0.00 -0.39 0.00 0.00 64.86 63.56 1xp1 h ILE 424 Cb -0.00 1.74 -0.08 0.00 -3.07 0.00 0.00 36.82 35.41 1xp1 h ILE 424 CO -0.04 0.38 0.06 -0.26 -0.69 0.00 0.00 178.15 177.60 1xp1 h PHE 425 N 0.09 0.09 -0.50 1.37 0.05 -0.88 -0.96 116.94 116.19 1xp1 h PHE 425 Ca 0.04 0.03 -0.03 0.00 3.82 0.00 0.00 57.97 61.83 1xp1 h PHE 425 Cb 0.65 0.04 -0.02 0.00 2.00 0.00 0.00 35.95 38.62 1xp1 h PHE 425 CO 0.07 -0.05 0.20 -0.44 -0.18 0.00 0.00 178.31 177.91 1xp1 h ASP 426 N 0.19 0.65 -0.26 2.17 3.32 -0.86 0.28 116.42 121.90 1xp1 h ASP 426 Ca 0.26 -0.07 -0.16 0.00 0.02 0.00 0.00 57.03 57.08 1xp1 h ASP 426 Cb 0.37 -0.17 0.00 0.00 0.22 0.00 0.00 39.33 39.76 1xp1 h ASP 426 CO -0.37 0.58 -0.45 0.24 -1.72 0.00 0.00 179.24 177.52 1xp1 h MET 427 N 0.71 0.76 -0.55 3.56 2.86 -1.10 -1.57 114.93 119.60 1xp1 h MET 427 Ca 0.17 -0.48 -0.04 0.00 -2.06 0.00 0.00 59.70 57.30 1xp1 h MET 427 Cb 0.13 0.05 -0.02 0.00 0.06 0.00 0.00 31.60 31.82 1xp1 h MET 427 CO -0.02 1.10 0.19 -0.07 1.06 0.00 0.00 176.91 179.18 1xp1 h LEU 428 N 0.51 0.78 -0.76 1.22 3.38 -0.61 -1.92 115.31 117.91 1xp1 h LEU 428 Ca 0.02 -0.19 -0.01 0.00 0.09 0.00 0.00 57.88 57.79 1xp1 h LEU 428 Cb 1.06 -0.20 -0.04 0.00 0.09 0.00 0.00 40.66 41.56 1xp1 h LEU 428 CO 0.10 0.76 0.45 -0.07 0.09 0.00 0.00 178.44 179.77 1xp1 h LEU 429 N 0.76 0.93 -1.16 1.67 3.38 -0.43 -1.20 115.31 119.25 1xp1 h LEU 429 Ca 0.18 -0.08 -0.07 0.00 0.09 0.00 0.00 57.88 58.00 1xp1 h LEU 429 Cb 0.24 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.74 1xp1 h LEU 429 CO -0.01 0.74 -0.20 0.00 0.09 0.00 0.00 178.44 179.05 1xp1 h ALA 430 N 1.23 1.30 -0.36 1.53 0.00 -1.06 -2.07 119.26 119.84 1xp1 h ALA 430 Ca 0.27 -0.28 -0.11 0.00 0.00 0.00 0.00 54.91 54.79 1xp1 h ALA 430 Cb -0.01 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 1xp1 h ALA 430 CO -0.05 0.47 -0.20 1.15 0.00 0.00 0.00 179.25 180.62 1xp1 h THR 431 N 0.31 1.29 -0.78 0.00 2.02 -0.50 -2.44 112.91 112.80 1xp1 h THR 431 Ca 0.05 -1.33 0.06 0.00 0.77 0.00 0.00 66.41 65.96 1xp1 h THR 431 Cb 0.54 1.38 -0.06 0.00 -1.74 0.00 0.00 68.15 68.26 1xp1 h THR 431 CO 0.04 0.44 0.47 -1.28 0.37 0.00 0.00 175.52 175.55 1xp1 h SER 432 N 0.55 0.72 -0.07 4.18 0.87 -1.10 -0.71 113.55 117.99 1xp1 h SER 432 Ca 0.08 0.02 -0.10 0.00 -1.23 0.00 0.00 61.79 60.56 1xp1 h SER 432 Cb 0.75 -0.12 -0.01 0.00 -0.44 0.00 0.00 62.40 62.58 1xp1 h SER 432 CO 0.06 0.46 -0.28 -1.28 -0.53 0.00 0.00 176.83 175.26 1xp1 h SER 433 N 0.85 0.52 -0.38 6.23 0.87 -1.30 -1.03 113.55 119.31 1xp1 h SER 433 Ca 0.35 -0.19 -0.10 0.00 -1.23 0.00 0.00 61.79 60.62 1xp1 h SER 433 Cb 0.19 -0.14 -0.01 0.00 -0.44 0.00 0.00 62.40 61.99 1xp1 h SER 433 CO -0.18 0.78 -0.16 -0.09 -0.53 0.00 0.00 176.83 176.65 1xp1 h ARG 434 N 0.45 0.78 -0.34 2.24 9.65 -0.86 0.38 114.38 126.66 1xp1 h ARG 434 Ca 0.06 -0.33 0.05 0.00 -1.10 0.00 0.00 59.98 58.66 1xp1 h ARG 434 Cb 0.71 -0.03 -0.04 0.00 -1.39 0.00 0.00 29.97 29.23 1xp1 h ARG 434 CO 0.05 0.95 0.08 0.74 2.80 0.00 0.00 179.97 184.60 1xp1 h PHE 435 N 0.57 0.14 -0.45 2.20 0.05 -0.99 0.22 116.94 118.68 1xp1 h PHE 435 Ca 0.09 0.02 0.03 0.00 3.82 0.00 0.00 57.97 61.93 1xp1 h PHE 435 Cb 0.71 -0.01 -0.04 0.00 2.00 0.00 0.00 35.95 38.61 1xp1 h PHE 435 CO 0.06 0.04 0.24 -0.09 -0.18 0.00 0.00 178.31 178.38 1xp1 h ARG 436 N 0.21 0.47 -0.08 1.51 2.43 -0.94 0.67 114.38 118.65 1xp1 h ARG 436 Ca 0.16 -0.03 -0.06 0.00 -0.81 0.00 0.00 59.98 59.24 1xp1 h ARG 436 Cb 0.17 -0.11 -0.01 0.00 -0.42 0.00 0.00 29.97 29.60 1xp1 h ARG 436 CO -0.20 0.31 -0.23 1.98 -1.51 0.00 0.00 179.97 180.32 1xp1 h MET 437 N 0.49 0.14 -0.00 0.20 1.85 0.66 -1.07 114.93 117.18 1xp1 h MET 437 Ca 0.19 -0.04 0.00 0.00 -0.61 0.00 0.00 59.70 59.24 1xp1 h MET 437 Cb 0.07 -0.01 0.00 0.00 0.43 0.00 0.00 31.60 32.09 1xp1 h MET 437 CO -0.12 0.37 -0.15 -1.33 -0.40 0.00 0.00 176.91 175.29 1xp1 n MET 438 N -4.21 0.31 -3.58 0.39 2.81 0.70 -4.92 117.12 108.60 1xp1 n MET 438 Ca -0.01 -0.09 -0.22 0.00 -1.81 0.00 0.00 57.70 55.57 1xp1 n MET 438 Cb 0.32 -1.50 0.07 0.00 -0.71 0.00 0.00 33.22 31.41 1xp1 n MET 438 CO 0.00 0.00 0.00 -1.71 1.51 0.00 0.00 175.97 175.77 1xp1 n ASN 439 N -1.27 -4.24 -4.69 7.83 5.15 0.17 -4.90 115.26 113.32 1xp1 n ASN 439 Ca 0.10 -0.62 -0.43 0.00 -0.60 0.00 0.00 54.58 53.03 1xp1 n ASN 439 Cb 0.31 -4.86 -0.01 0.00 -0.53 0.00 0.00 39.78 34.69 1xp1 n ASN 439 CO 0.00 0.00 0.00 -0.11 1.40 0.00 0.00 177.26 178.55 1xp1 n LEU 440 N -4.61 3.40 -4.79 1.20 7.94 -0.83 -4.98 117.00 114.34 1xp1 n LEU 440 Ca -0.12 1.20 -0.31 0.00 -1.11 0.00 0.00 56.01 55.68 1xp1 n LEU 440 Cb 0.61 -1.47 -0.06 0.00 0.53 0.00 0.00 43.42 43.03 1xp1 n LEU 440 CO 0.65 -0.54 -0.25 -1.10 -1.11 0.00 0.00 177.39 175.04 1xp1 s GLN 441 N -1.71 2.94 0.29 1.96 -1.52 -1.26 -4.98 119.66 115.38 1xp1 s GLN 441 Ca 0.57 -0.66 0.04 0.00 -1.95 0.00 0.00 55.36 53.35 1xp1 s GLN 441 Cb -0.58 -2.76 0.70 0.00 -0.22 0.00 0.00 33.01 30.15 1xp1 s GLN 441 CO 0.61 0.57 1.73 0.78 -0.25 0.00 0.00 175.29 178.73 1xp1 h GLY 442 N 3.28 1.59 1.45 3.09 0.00 -1.99 0.18 103.07 110.67 1xp1 h GLY 442 Ca -0.46 -0.24 -0.08 0.00 0.00 0.00 0.00 47.33 46.55 1xp1 h GLY 442 CO 0.67 -0.17 -0.08 0.83 0.00 0.00 0.00 176.54 177.79 1xp1 h GLU 443 N 0.54 0.67 -0.20 4.80 3.07 -1.98 -2.51 114.58 118.97 1xp1 h GLU 443 Ca 0.55 -0.20 -0.16 0.00 -0.50 0.00 0.00 59.36 59.06 1xp1 h GLU 443 Cb 0.95 -0.07 0.00 0.00 -0.84 0.00 0.00 28.75 28.80 1xp1 h GLU 443 CO -0.45 0.74 -0.49 0.93 -1.40 0.00 0.00 179.01 178.34 1xp1 h GLU 444 N 0.62 0.68 -0.71 2.33 5.08 -1.16 -3.09 114.58 118.32 1xp1 h GLU 444 Ca 0.11 -0.47 0.06 0.00 -1.00 0.00 0.00 59.36 58.07 1xp1 h GLU 444 Cb 0.51 0.07 -0.06 0.00 0.50 0.00 0.00 28.75 29.77 1xp1 h GLU 444 CO 0.03 1.09 0.41 0.35 -1.00 0.00 0.00 179.01 179.89 1xp1 h PHE 445 N 0.37 0.76 -0.31 4.33 3.57 -0.74 -0.29 116.94 124.63 1xp1 h PHE 445 Ca -0.01 0.03 -0.12 0.00 3.53 0.00 0.00 57.97 61.40 1xp1 h PHE 445 Cb 1.10 -0.24 -0.01 0.00 2.79 0.00 0.00 35.95 39.60 1xp1 h PHE 445 CO 0.09 0.37 -0.29 -0.39 -2.23 0.00 0.00 178.31 175.86 1xp1 h VAL 446 N 0.76 1.28 -0.29 1.41 -1.51 -1.49 -0.04 116.25 116.36 1xp1 h VAL 446 Ca 0.32 -1.40 -0.00 0.00 -1.23 0.00 0.00 66.70 64.39 1xp1 h VAL 446 Cb 0.18 1.36 -0.01 0.00 -2.13 0.00 0.00 31.29 30.69 1xp1 h VAL 446 CO -0.18 0.45 0.18 0.00 -1.23 0.00 0.00 177.57 176.79 1xp1 h LEU 448 N 0.37 1.00 -0.97 0.00 3.38 -0.46 -0.77 115.31 117.87 1xp1 h LEU 448 Ca 0.11 -0.07 -0.08 0.00 0.09 0.00 0.00 57.88 57.93 1xp1 h LEU 448 Cb 0.01 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.49 1xp1 h LEU 448 CO -0.02 0.78 -0.11 0.50 0.09 0.00 0.00 178.44 179.68 1xp1 h LYS 449 N 1.14 0.63 -0.47 1.13 3.64 -0.83 -1.66 116.57 120.16 1xp1 h LYS 449 Ca 0.30 -0.19 -0.09 0.00 -1.27 0.00 0.00 60.65 59.40 1xp1 h LYS 449 Cb -0.04 -0.06 -0.02 0.00 -0.41 0.00 0.00 32.23 31.70 1xp1 h LYS 449 CO -0.06 0.73 -0.08 0.77 -2.27 0.00 0.00 179.45 178.54 1xp1 h SER 450 N 0.57 0.82 -0.62 4.20 0.02 -0.42 -2.27 113.55 115.85 1xp1 h SER 450 Ca 0.10 -0.24 -0.01 0.00 -0.84 0.00 0.00 61.79 60.80 1xp1 h SER 450 Cb 0.53 -0.22 -0.03 0.00 0.14 0.00 0.00 62.40 62.82 1xp1 h SER 450 CO 0.03 0.93 0.34 0.40 -1.14 0.00 0.00 176.83 177.39 1xp1 h ILE 451 N 0.75 1.20 -0.19 3.27 2.04 -0.63 -2.01 117.51 121.95 1xp1 h ILE 451 Ca 0.13 -0.50 0.04 0.00 1.00 0.00 0.00 64.86 65.53 1xp1 h ILE 451 Cb 0.57 0.40 -0.04 0.00 -0.74 0.00 0.00 36.82 37.01 1xp1 h ILE 451 CO 0.04 0.22 -0.09 0.40 0.00 0.00 0.00 178.15 178.71 1xp1 h ILE 452 N 0.85 0.71 -0.36 -0.67 2.04 -1.10 0.46 117.51 119.43 1xp1 h ILE 452 Ca 0.22 0.00 0.07 0.00 1.00 0.00 0.00 64.86 66.15 1xp1 h ILE 452 Cb 0.04 0.71 -0.06 0.00 -0.74 0.00 0.00 36.82 36.77 1xp1 h ILE 452 CO -0.03 0.00 -0.03 0.25 0.00 0.00 0.00 178.15 178.34 1xp1 h LEU 453 N -0.07 -0.21 0.06 1.44 5.85 -0.92 -1.72 115.31 119.74 1xp1 h LEU 453 Ca 0.10 0.09 -0.24 0.00 0.84 0.00 0.00 57.88 58.67 1xp1 h LEU 453 Cb 0.23 0.17 -0.02 0.00 0.37 0.00 0.00 40.66 41.41 1xp1 h LEU 453 CO -0.23 -0.07 -1.11 -0.07 -0.34 0.00 0.00 178.44 176.62 1xp1 h LEU 454 N 0.07 0.19 0.12 2.25 3.38 -0.97 -3.37 115.31 116.98 1xp1 h LEU 454 Ca 0.18 -0.20 -0.30 0.00 0.09 0.00 0.00 57.88 57.65 1xp1 h LEU 454 Cb 0.25 -0.06 -0.00 0.00 0.09 0.00 0.00 40.66 40.94 1xp1 h LEU 454 CO -0.32 1.16 -1.43 -1.13 0.09 0.00 0.00 178.44 176.81 1xp1 h ASN 455 N 0.03 0.41 -0.12 -0.43 -1.24 0.05 -3.38 115.58 110.90 1xp1 h ASN 455 Ca -0.07 -0.52 -0.07 0.00 0.71 0.00 0.00 56.30 56.35 1xp1 h ASN 455 Cb 1.86 -0.13 -0.02 0.00 0.73 0.00 0.00 38.32 40.76 1xp1 h ASN 455 CO 0.16 1.42 -0.13 0.28 -1.29 0.00 0.00 177.43 177.88 1xp1 h SER 456 N 0.07 0.46 -0.20 1.15 0.02 -1.48 -2.71 113.55 110.87 1xp1 h SER 456 Ca -0.21 -0.12 0.00 0.00 -0.84 0.00 0.00 61.79 60.63 1xp1 h SER 456 Cb 2.01 -0.12 0.00 0.00 0.14 0.00 0.00 62.40 64.42 1xp1 h SER 456 CO 0.18 0.62 0.00 0.61 -1.14 0.00 0.00 176.83 177.10 1xp1 n GLY 457 N -0.65 3.83 0.24 -3.77 0.00 -1.26 -4.62 105.19 98.96 1xp1 n GLY 457 Ca 0.00 -0.81 0.15 0.00 0.00 0.00 0.00 46.02 45.36 1xp1 n GLY 457 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 1xp1 h VAL 458 N 1.29 0.00 0.00 1.61 3.04 -1.66 -2.96 116.25 117.57 1xp1 h VAL 458 Ca 0.00 -0.72 0.00 0.00 -1.01 0.00 0.00 66.70 64.97 1xp1 h VAL 458 Cb 1.10 1.71 0.00 0.00 -2.01 0.00 0.00 31.29 32.09 1xp1 h VAL 458 CO 0.11 0.00 -0.51 -1.22 -1.01 0.00 0.00 177.57 174.93 1xp1 n TYR 459 N -3.02 0.33 -0.41 3.17 4.02 -1.26 -4.17 117.16 115.82 1xp1 n TYR 459 Ca 0.02 0.10 0.08 0.00 -0.01 0.00 0.00 57.90 58.09 1xp1 n TYR 459 Cb 0.41 -0.51 0.24 0.00 -0.02 0.00 0.00 39.34 39.46 1xp1 n TYR 459 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 176.86 176.10 1xp1 n THR 460 N -1.86 1.32 -1.87 -0.72 -2.24 -1.12 -4.93 114.28 102.86 1xp1 n THR 460 Ca 0.04 -1.15 -0.42 0.00 -2.27 0.00 0.00 64.05 60.26 1xp1 n THR 460 Cb 0.40 0.34 -0.03 0.00 -2.10 0.00 0.00 70.33 68.93 1xp1 n THR 460 CO 0.00 0.00 0.00 -0.36 -0.57 0.00 0.00 175.07 174.14 1xp1 s PHE 461 N -1.39 2.59 0.00 4.78 0.40 -1.24 -4.92 117.98 118.19 1xp1 s PHE 461 Ca 0.37 0.34 0.00 0.00 -0.60 0.00 0.00 56.93 57.04 1xp1 s PHE 461 Cb 0.22 -4.01 0.00 0.00 0.51 0.00 0.00 43.02 39.74 1xp1 s PHE 461 CO 0.21 -3.97 0.00 1.28 0.70 0.00 0.00 175.22 173.44 1xp1 n LEU 462 N 5.03 0.00 0.00 -0.37 4.77 -1.26 -4.88 117.00 120.29 1xp1 n LEU 462 Ca 0.16 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.14 1xp1 n LEU 462 Cb 0.39 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.48 1xp1 n LEU 462 CO 0.63 0.00 0.00 -0.24 -1.33 0.00 0.00 177.39 176.45 1xp1 n SER 463 N 0.00 0.00 -2.67 -1.43 2.88 -1.26 -5.04 113.62 106.10 1xp1 n SER 463 Ca 0.00 0.00 -0.04 0.00 -1.33 0.00 0.00 58.87 57.50 1xp1 n SER 463 Cb 0.00 0.00 0.07 0.00 -0.75 0.00 0.00 64.21 63.53 1xp1 n SER 463 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 1xp1 n SER 464 N 0.00 -1.38 -4.50 -3.46 7.64 -1.26 -5.04 113.62 105.62 1xp1 n SER 464 Ca 0.00 -2.05 -0.29 0.00 1.01 0.00 0.00 58.87 57.54 1xp1 n SER 464 Cb 0.00 1.18 0.20 0.00 -1.01 0.00 0.00 64.21 64.58 1xp1 n SER 464 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 1xp1 s THR 465 N 0.08 1.93 0.16 0.44 -4.23 -1.26 -4.77 115.64 107.98 1xp1 s THR 465 Ca 0.15 0.00 -0.15 0.00 -1.18 0.00 0.00 61.69 60.51 1xp1 s THR 465 Cb 0.23 -2.45 0.03 0.00 1.34 0.00 0.00 72.50 71.65 1xp1 s THR 465 CO -0.12 0.00 1.82 0.25 -0.54 0.00 0.00 174.62 176.04 1xp1 h LEU 466 N -2.12 0.52 -0.46 4.79 5.85 -2.01 -1.08 115.31 120.79 1xp1 h LEU 466 Ca -0.54 -0.01 0.05 0.00 0.84 0.00 0.00 57.88 58.22 1xp1 h LEU 466 Cb 1.33 -0.13 -0.05 0.00 0.37 0.00 0.00 40.66 42.18 1xp1 h LEU 466 CO 0.53 0.37 0.19 0.50 -0.34 0.00 0.00 178.44 179.69 1xp1 h LYS 467 N 0.61 0.37 -0.71 1.25 3.64 -1.99 -1.37 116.57 118.37 1xp1 h LYS 467 Ca 0.16 -0.02 0.01 0.00 -1.27 0.00 0.00 60.65 59.53 1xp1 h LYS 467 Cb -0.07 -0.08 -0.04 0.00 -0.41 0.00 0.00 32.23 31.63 1xp1 h LYS 467 CO -0.04 0.24 0.47 1.03 -2.27 0.00 0.00 179.45 178.88 1xp1 h SER 468 N 0.38 0.81 -0.43 4.20 0.87 -1.83 0.08 113.55 117.62 1xp1 h SER 468 Ca 0.21 -0.02 -0.01 0.00 -1.23 0.00 0.00 61.79 60.74 1xp1 h SER 468 Cb 0.18 -0.20 -0.02 0.00 -0.44 0.00 0.00 62.40 61.92 1xp1 h SER 468 CO -0.19 0.58 0.22 -0.07 -0.53 0.00 0.00 176.83 176.84 1xp1 h LEU 469 N 0.95 0.55 -0.70 2.23 3.38 -0.67 -1.52 115.31 119.53 1xp1 h LEU 469 Ca 0.26 -0.11 0.02 0.00 0.09 0.00 0.00 57.88 58.14 1xp1 h LEU 469 Cb -0.10 -0.14 -0.04 0.00 0.09 0.00 0.00 40.66 40.47 1xp1 h LEU 469 CO -0.06 0.50 0.45 -0.33 0.09 0.00 0.00 178.44 179.09 1xp1 h GLU 470 N 0.56 0.87 -0.43 1.13 5.08 -0.75 -1.84 114.58 119.21 1xp1 h GLU 470 Ca 0.15 -0.05 -0.01 0.00 -1.00 0.00 0.00 59.36 58.45 1xp1 h GLU 470 Cb 0.09 -0.20 -0.02 0.00 0.50 0.00 0.00 28.75 29.12 1xp1 h GLU 470 CO -0.02 0.58 0.23 0.93 -1.00 0.00 0.00 179.01 179.73 1xp1 h GLU 471 N 0.90 0.60 -0.71 2.33 4.39 -0.51 -1.72 114.58 119.86 1xp1 h GLU 471 Ca 0.27 -0.07 0.04 0.00 0.34 0.00 0.00 59.36 59.93 1xp1 h GLU 471 Cb -0.04 -0.12 -0.05 0.00 -0.10 0.00 0.00 28.75 28.44 1xp1 h GLU 471 CO -0.08 0.48 0.44 0.87 -1.16 0.00 0.00 179.01 179.55 1xp1 h LYS 472 N 0.55 0.82 -0.82 2.33 1.57 -1.06 -0.58 116.57 119.38 1xp1 h LYS 472 Ca 0.15 -0.05 -0.01 0.00 -1.87 0.00 0.00 60.65 58.87 1xp1 h LYS 472 Cb 0.06 -0.18 -0.04 0.00 0.08 0.00 0.00 32.23 32.14 1xp1 h LYS 472 CO -0.02 0.54 0.47 0.22 -0.57 0.00 0.00 179.45 180.09 1xp1 h ASP 473 N 0.84 1.01 -0.38 0.86 3.58 -0.85 -0.85 116.42 120.63 1xp1 h ASP 473 Ca 0.29 -0.08 -0.09 0.00 0.42 0.00 0.00 57.03 57.57 1xp1 h ASP 473 Cb 0.05 -0.26 -0.01 0.00 1.72 0.00 0.00 39.33 40.83 1xp1 h ASP 473 CO -0.12 0.80 -0.10 -0.74 -2.88 0.00 0.00 179.24 176.20 1xp1 h HIS 474 N 1.14 0.83 -0.45 0.28 2.76 -0.83 -1.54 115.15 117.33 1xp1 h HIS 474 Ca 0.29 -0.18 0.01 0.00 -2.20 0.00 0.00 60.37 58.29 1xp1 h HIS 474 Cb -0.00 -0.20 -0.03 0.00 1.55 0.00 0.00 27.41 28.73 1xp1 h HIS 474 CO 0.00 0.88 0.28 0.82 -1.30 0.00 0.00 177.93 178.61 1xp1 h ILE 475 N 0.54 1.08 -0.02 6.26 2.04 -0.82 0.81 117.51 127.40 1xp1 h ILE 475 Ca 0.10 -0.20 -0.09 0.00 1.00 0.00 0.00 64.86 65.67 1xp1 h ILE 475 Cb 0.61 0.46 -0.01 0.00 -0.74 0.00 0.00 36.82 37.14 1xp1 h ILE 475 CO 0.04 0.10 -0.40 0.45 0.00 0.00 0.00 178.15 178.34 1xp1 h HIS 476 N 0.57 0.04 -0.52 1.37 3.86 -0.96 -0.62 115.15 118.89 1xp1 h HIS 476 Ca 0.17 -0.01 -0.05 0.00 -1.16 0.00 0.00 60.37 59.33 1xp1 h HIS 476 Cb -0.03 -0.01 -0.02 0.00 1.06 0.00 0.00 27.41 28.41 1xp1 h HIS 476 CO -0.06 0.43 0.14 0.00 0.86 0.00 0.00 177.93 179.30 1xp1 h ARG 477 N 0.03 0.82 -0.37 2.45 3.08 -0.77 -0.75 114.38 118.87 1xp1 h ARG 477 Ca -0.00 -0.19 -0.11 0.00 0.07 0.00 0.00 59.98 59.76 1xp1 h ARG 477 Cb 0.72 -0.11 -0.01 0.00 0.08 0.00 0.00 29.97 30.65 1xp1 h ARG 477 CO 0.05 0.77 -0.19 0.28 -1.07 0.00 0.00 179.97 179.81 1xp1 h VAL 478 N 0.71 1.28 -0.68 2.04 2.07 -0.00 -2.47 116.25 119.20 1xp1 h VAL 478 Ca 0.16 -1.32 0.07 0.00 0.82 0.00 0.00 66.70 66.44 1xp1 h VAL 478 Cb 0.31 1.34 -0.06 0.00 -1.52 0.00 0.00 31.29 31.36 1xp1 h VAL 478 CO -0.00 0.44 0.35 -0.07 0.02 0.00 0.00 177.57 178.30 1xp1 h LEU 479 N 0.58 0.49 -0.87 2.57 3.38 -1.02 -0.67 115.31 119.75 1xp1 h LEU 479 Ca 0.08 0.05 0.10 0.00 0.09 0.00 0.00 57.88 58.20 1xp1 h LEU 479 Cb 0.74 -0.04 -0.08 0.00 0.09 0.00 0.00 40.66 41.37 1xp1 h LEU 479 CO 0.06 0.30 0.51 0.44 0.09 0.00 0.00 178.44 179.84 1xp1 h ASP 480 N 0.63 0.74 -0.28 -0.43 3.32 -0.98 -0.56 116.42 118.86 1xp1 h ASP 480 Ca 0.32 0.05 -0.15 0.00 0.02 0.00 0.00 57.03 57.26 1xp1 h ASP 480 Cb 0.27 -0.09 -0.01 0.00 0.22 0.00 0.00 39.33 39.72 1xp1 h ASP 480 CO -0.22 0.41 -0.40 0.50 -1.72 0.00 0.00 179.24 177.80 1xp1 h LYS 481 N 0.84 0.83 -0.12 3.56 1.63 -0.71 -0.36 116.57 122.25 1xp1 h LYS 481 Ca 0.43 -0.44 -0.08 0.00 -0.85 0.00 0.00 60.65 59.71 1xp1 h LYS 481 Cb 0.41 0.02 -0.01 0.00 -0.60 0.00 0.00 32.23 32.04 1xp1 h LYS 481 CO -0.26 1.07 -0.27 0.82 -3.45 0.00 0.00 179.45 177.37 1xp1 h ILE 482 N 0.67 1.24 -0.03 2.00 2.04 -0.85 0.00 117.51 122.59 1xp1 h ILE 482 Ca 0.05 -1.13 -0.00 0.00 1.00 0.00 0.00 64.86 64.78 1xp1 h ILE 482 Cb 0.97 1.45 -0.00 0.00 -0.74 0.00 0.00 36.82 38.50 1xp1 h ILE 482 CO 0.09 0.34 0.01 0.74 0.00 0.00 0.00 178.15 179.33 1xp1 h THR 483 N 0.19 1.16 -0.83 -0.27 2.02 -0.60 -0.92 112.91 113.66 1xp1 h THR 483 Ca 0.03 -0.48 0.16 0.00 0.77 0.00 0.00 66.41 66.89 1xp1 h THR 483 Cb 0.58 1.42 -0.06 0.00 -1.74 0.00 0.00 68.15 68.35 1xp1 h THR 483 CO 0.04 0.13 0.55 0.44 0.37 0.00 0.00 175.52 177.05 1xp1 h ASP 484 N -0.14 0.46 -0.19 4.18 3.32 -0.72 -0.62 116.42 122.70 1xp1 h ASP 484 Ca 0.01 0.03 -0.07 0.00 0.02 0.00 0.00 57.03 57.02 1xp1 h ASP 484 Cb 0.20 -0.06 -0.00 0.00 0.22 0.00 0.00 39.33 39.69 1xp1 h ASP 484 CO -0.00 0.22 -0.17 0.74 -1.72 0.00 0.00 179.24 178.31 1xp1 h THR 485 N 0.48 1.33 -0.99 0.35 2.02 -0.57 -0.98 112.91 114.54 1xp1 h THR 485 Ca 0.42 -1.31 0.02 0.00 0.77 0.00 0.00 66.41 66.31 1xp1 h THR 485 Cb 0.91 1.75 -0.05 0.00 -1.74 0.00 0.00 68.15 69.02 1xp1 h THR 485 CO -0.16 0.40 0.65 -0.07 0.37 0.00 0.00 175.52 176.71 1xp1 h LEU 486 N 0.13 1.12 -0.63 2.58 3.38 -0.69 0.58 115.31 121.78 1xp1 h LEU 486 Ca 0.03 -0.02 -0.14 0.00 0.09 0.00 0.00 57.88 57.84 1xp1 h LEU 486 Cb 0.70 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 41.17 1xp1 h LEU 486 CO 0.04 0.79 -0.44 0.40 0.09 0.00 0.00 178.44 179.32 1xp1 h ILE 487 N 1.31 1.30 -0.66 1.22 1.08 -1.00 -1.80 117.51 118.97 1xp1 h ILE 487 Ca 0.38 -1.63 -0.03 0.00 -0.39 0.00 0.00 64.86 63.19 1xp1 h ILE 487 Cb -0.09 1.60 -0.03 0.00 -3.07 0.00 0.00 36.82 35.24 1xp1 h ILE 487 CO -0.10 0.51 0.28 -0.74 -0.69 0.00 0.00 178.15 177.41 1xp1 h HIS 488 N 0.46 0.98 -0.54 1.37 -0.00 -0.65 -0.38 115.15 116.38 1xp1 h HIS 488 Ca 0.03 -0.06 -0.01 0.00 -0.00 0.00 0.00 60.37 60.33 1xp1 h HIS 488 Cb 0.95 -0.30 -0.03 0.00 -0.00 0.00 0.00 27.41 28.04 1xp1 h HIS 488 CO 0.04 0.76 0.31 -0.07 -0.00 0.00 0.00 177.93 178.96 1xp1 h LEU 489 N 0.92 0.67 -0.74 0.26 3.38 -0.66 -1.34 115.31 117.80 1xp1 h LEU 489 Ca 0.22 -0.08 -0.11 0.00 0.09 0.00 0.00 57.88 57.99 1xp1 h LEU 489 Cb 0.18 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.74 1xp1 h LEU 489 CO -0.02 0.56 -0.27 0.24 0.09 0.00 0.00 178.44 179.04 1xp1 h MET 490 N 0.73 0.67 -0.47 1.13 2.86 -0.84 -2.56 114.93 116.45 1xp1 h MET 490 Ca 0.19 -0.28 -0.12 0.00 -2.06 0.00 0.00 59.70 57.44 1xp1 h MET 490 Cb 0.03 -0.03 -0.01 0.00 0.06 0.00 0.00 31.60 31.65 1xp1 h MET 490 CO -0.03 0.86 -0.16 0.00 1.06 0.00 0.00 176.91 178.64 1xp1 h ALA 491 N 1.13 0.65 -0.74 6.32 0.00 -0.79 -2.59 119.26 123.25 1xp1 h ALA 491 Ca 0.08 -0.36 0.12 0.00 0.00 0.00 0.00 54.91 54.74 1xp1 h ALA 491 Cb 0.76 -0.16 -0.05 0.00 0.00 0.00 0.00 17.79 18.33 1xp1 h ALA 491 CO 0.06 0.59 0.49 -0.22 0.00 0.00 0.00 179.25 180.17 1xp1 h LYS 492 N 0.78 0.51 0.00 0.00 3.64 -1.03 -1.37 116.57 119.10 1xp1 h LYS 492 Ca 0.11 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.46 1xp1 h LYS 492 Cb 0.72 -0.12 0.00 0.00 -0.41 0.00 0.00 32.23 32.43 1xp1 h LYS 492 CO 0.06 0.34 0.00 0.00 -2.27 0.00 0.00 179.45 177.57 1xp1 n ALA 493 N -2.49 2.30 -0.25 5.00 0.00 -0.98 -4.92 120.51 119.16 1xp1 n ALA 493 Ca 0.13 -0.08 0.00 0.00 0.00 0.00 0.00 53.44 53.50 1xp1 n ALA 493 Cb 0.42 -1.47 0.00 0.00 0.00 0.00 0.00 19.45 18.41 1xp1 n ALA 493 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1xp1 n GLY 494 N 1.41 0.85 3.79 0.00 0.00 -0.51 -5.09 105.19 105.64 1xp1 n GLY 494 Ca 0.06 -0.21 -0.34 0.00 0.00 0.00 0.00 46.02 45.53 1xp1 n GLY 494 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1xp1 s LEU 495 N 0.00 3.70 0.79 0.99 1.43 -1.10 -5.05 118.68 119.45 1xp1 s LEU 495 Ca 0.00 2.01 -0.12 0.00 -1.03 0.00 0.00 54.13 54.99 1xp1 s LEU 495 Cb 0.00 -4.56 0.07 0.00 0.03 0.00 0.00 46.19 41.72 1xp1 s LEU 495 CO 0.00 -1.09 1.10 0.42 0.23 0.00 0.00 176.35 177.01 1xp1 s THR 496 N -2.02 3.03 0.25 5.49 -4.23 -1.26 -4.73 115.64 112.17 1xp1 s THR 496 Ca 0.69 0.33 -0.07 0.00 -1.18 0.00 0.00 61.69 61.46 1xp1 s THR 496 Cb -0.19 -3.12 0.32 0.00 1.34 0.00 0.00 72.50 70.84 1xp1 s THR 496 CO 0.28 -0.44 1.61 0.25 -0.54 0.00 0.00 174.62 175.78 1xp1 h LEU 497 N -1.05 -0.48 -0.33 4.79 5.85 -1.99 0.20 115.31 122.29 1xp1 h LEU 497 Ca -0.47 0.22 -0.03 0.00 0.84 0.00 0.00 57.88 58.44 1xp1 h LEU 497 Cb 1.27 0.41 -0.01 0.00 0.37 0.00 0.00 40.66 42.70 1xp1 h LEU 497 CO 0.60 -0.23 0.09 -0.61 -0.34 0.00 0.00 178.44 177.95 1xp1 h GLN 498 N 0.06 0.52 -0.18 1.25 4.15 -2.01 -2.25 115.11 116.66 1xp1 h GLN 498 Ca 0.43 -0.12 -0.04 0.00 0.77 0.00 0.00 58.65 59.69 1xp1 h GLN 498 Cb 0.75 -0.07 -0.01 0.00 0.21 0.00 0.00 27.48 28.36 1xp1 h GLN 498 CO -0.75 0.57 -0.09 1.96 -1.93 0.00 0.00 178.83 178.60 1xp1 h GLN 499 N 0.38 0.28 0.28 1.69 4.20 -1.56 -2.08 115.11 118.30 1xp1 h GLN 499 Ca 0.11 -0.06 -0.01 0.00 0.06 0.00 0.00 58.65 58.74 1xp1 h GLN 499 Cb 0.28 -0.04 0.00 0.00 0.30 0.00 0.00 27.48 28.02 1xp1 h GLN 499 CO -0.00 0.38 -0.13 1.96 -0.67 0.00 0.00 178.83 180.37 1xp1 h GLN 500 N 0.27 -0.36 -0.27 1.46 4.20 -0.10 0.29 115.11 120.60 1xp1 h GLN 500 Ca 0.06 0.02 -0.12 0.00 0.06 0.00 0.00 58.65 58.68 1xp1 h GLN 500 Cb 0.33 0.08 -0.01 0.00 0.30 0.00 0.00 27.48 28.18 1xp1 h GLN 500 CO 0.02 -0.13 -0.32 1.12 -0.67 0.00 0.00 178.83 178.85 1xp1 h HIS 501 N -0.55 0.66 -0.44 2.96 2.07 -1.39 0.10 115.15 118.57 1xp1 h HIS 501 Ca -0.04 -0.17 0.00 0.00 -2.85 0.00 0.00 60.37 57.32 1xp1 h HIS 501 Cb 0.40 -0.15 -0.02 0.00 2.57 0.00 0.00 27.41 30.21 1xp1 h HIS 501 CO -0.01 0.82 0.28 1.96 -3.07 0.00 0.00 177.93 177.91 1xp1 h GLN 502 N 0.49 0.59 -0.44 5.12 4.20 -1.25 -1.54 115.11 122.28 1xp1 h GLN 502 Ca 0.06 -0.05 -0.09 0.00 0.06 0.00 0.00 58.65 58.63 1xp1 h GLN 502 Cb 0.79 -0.13 -0.02 0.00 0.30 0.00 0.00 27.48 28.43 1xp1 h GLN 502 CO 0.06 0.41 -0.10 -0.09 -0.67 0.00 0.00 178.83 178.45 1xp1 h ARG 503 N 0.58 0.79 -0.32 1.46 2.43 0.34 -0.34 114.38 119.31 1xp1 h ARG 503 Ca 0.16 -0.26 0.02 0.00 -0.81 0.00 0.00 59.98 59.09 1xp1 h ARG 503 Cb -0.03 -0.07 -0.03 0.00 -0.42 0.00 0.00 29.97 29.43 1xp1 h ARG 503 CO -0.03 0.86 0.16 1.25 -1.51 0.00 0.00 179.97 180.70 1xp1 h LEU 504 N 0.71 0.23 -0.60 3.80 5.85 -0.62 -0.51 115.31 124.17 1xp1 h LEU 504 Ca 0.12 0.02 -0.02 0.00 0.84 0.00 0.00 57.88 58.84 1xp1 h LEU 504 Cb 0.58 -0.03 -0.03 0.00 0.37 0.00 0.00 40.66 41.56 1xp1 h LEU 504 CO 0.04 0.17 0.29 0.00 -0.34 0.00 0.00 178.44 178.60 1xp1 h ALA 505 N 1.17 0.77 -0.34 1.25 0.00 -0.96 -1.16 119.26 119.99 1xp1 h ALA 505 Ca 0.14 -0.13 0.03 0.00 0.00 0.00 0.00 54.91 54.95 1xp1 h ALA 505 Cb 0.05 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 17.57 1xp1 h ALA 505 CO -0.10 0.33 0.15 1.96 0.00 0.00 0.00 179.25 181.59 1xp1 h GLN 506 N 0.82 0.30 -0.60 0.00 4.20 -0.42 -0.12 115.11 119.30 1xp1 h GLN 506 Ca 0.21 -0.02 -0.01 0.00 0.06 0.00 0.00 58.65 58.89 1xp1 h GLN 506 Cb 0.11 -0.07 -0.03 0.00 0.30 0.00 0.00 27.48 27.79 1xp1 h GLN 506 CO -0.03 0.20 0.35 -0.07 -0.67 0.00 0.00 178.83 178.61 1xp1 h LEU 507 N 0.31 0.73 -0.62 1.46 3.38 -0.85 -2.79 115.31 116.92 1xp1 h LEU 507 Ca 0.15 -0.07 -0.15 0.00 0.09 0.00 0.00 57.88 57.90 1xp1 h LEU 507 Cb 0.09 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.64 1xp1 h LEU 507 CO -0.13 0.58 -0.63 -0.07 0.09 0.00 0.00 178.44 178.29 1xp1 h LEU 508 N 0.81 0.26 -1.21 1.67 3.38 -0.93 -2.62 115.31 116.67 1xp1 h LEU 508 Ca 0.21 -0.16 -0.07 0.00 0.09 0.00 0.00 57.88 57.95 1xp1 h LEU 508 Cb -0.00 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 40.66 1xp1 h LEU 508 CO -0.04 0.82 -0.35 -0.07 0.09 0.00 0.00 178.44 178.89 1xp1 h LEU 509 N 0.17 0.00 -1.66 1.67 3.38 -0.86 -1.49 115.31 116.52 1xp1 h LEU 509 Ca -0.01 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.92 1xp1 h LEU 509 Cb 1.14 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.88 1xp1 h LEU 509 CO 0.10 0.35 -0.19 0.40 0.09 0.00 0.00 178.44 179.19 1xp1 h ILE 510 N 0.00 1.04 0.00 1.22 2.04 -1.20 -2.04 117.51 118.57 1xp1 h ILE 510 Ca -0.00 -0.66 -0.03 0.00 1.00 0.00 0.00 64.86 65.16 1xp1 h ILE 510 Cb 0.73 1.37 -0.00 0.00 -0.74 0.00 0.00 36.82 38.17 1xp1 h ILE 510 CO 0.05 0.18 -0.14 -0.07 0.00 0.00 0.00 178.15 178.17 1xp1 h LEU 511 N 0.00 0.00 -0.88 1.44 3.38 -1.23 -0.25 115.31 117.77 1xp1 h LEU 511 Ca -0.00 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 57.86 1xp1 h LEU 511 Cb 0.35 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.09 1xp1 h LEU 511 CO 0.02 0.14 -0.32 -1.28 0.09 0.00 0.00 178.44 177.09 1xp1 h SER 512 N 0.00 0.45 0.28 -0.43 0.87 -1.42 -1.59 113.55 111.72 1xp1 h SER 512 Ca -0.00 -0.17 -0.14 0.00 -1.23 0.00 0.00 61.79 60.25 1xp1 h SER 512 Cb 0.37 -0.12 -0.01 0.00 -0.44 0.00 0.00 62.40 62.20 1xp1 h SER 512 CO 0.02 0.75 -0.56 0.45 -0.53 0.00 0.00 176.83 176.97 1xp1 h HIS 513 N 0.38 0.36 -0.25 2.24 3.86 -1.11 -2.46 115.15 118.17 1xp1 h HIS 513 Ca 0.05 -0.13 -0.15 0.00 -1.16 0.00 0.00 60.37 58.97 1xp1 h HIS 513 Cb 0.75 -0.07 -0.01 0.00 1.06 0.00 0.00 27.41 29.15 1xp1 h HIS 513 CO 0.02 0.78 -0.47 0.82 0.86 0.00 0.00 177.93 179.95 1xp1 h ILE 514 N 0.22 1.30 -0.75 2.45 2.04 -1.05 -1.60 117.51 120.12 1xp1 h ILE 514 Ca 0.00 -1.67 0.02 0.00 1.00 0.00 0.00 64.86 64.21 1xp1 h ILE 514 Cb 1.05 1.61 -0.04 0.00 -0.74 0.00 0.00 36.82 38.69 1xp1 h ILE 514 CO 0.09 0.53 0.49 -0.09 0.00 0.00 0.00 178.15 179.17 1xp1 h ARG 515 N 0.53 0.96 -0.38 2.37 9.65 -1.22 -1.48 114.38 124.81 1xp1 h ARG 515 Ca 0.03 -0.06 0.05 0.00 -1.10 0.00 0.00 59.98 58.90 1xp1 h ARG 515 Cb 1.01 -0.22 -0.05 0.00 -1.39 0.00 0.00 29.97 29.33 1xp1 h ARG 515 CO 0.10 0.63 0.11 1.25 2.80 0.00 0.00 179.97 184.86 1xp1 h HIS 516 N 0.99 0.19 -0.52 2.20 2.76 -1.08 -0.38 115.15 119.30 1xp1 h HIS 516 Ca 0.28 0.02 -0.04 0.00 -2.20 0.00 0.00 60.37 58.43 1xp1 h HIS 516 Cb -0.07 -0.03 -0.02 0.00 1.55 0.00 0.00 27.41 28.84 1xp1 h HIS 516 CO -0.03 0.06 0.15 0.52 -1.30 0.00 0.00 177.93 177.34 1xp1 h MET 517 N 0.25 0.81 -0.21 5.26 2.86 -0.99 -0.93 114.93 121.97 1xp1 h MET 517 Ca 0.18 -0.18 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 1xp1 h MET 517 Cb 0.18 -0.11 -0.01 0.00 0.06 0.00 0.00 31.60 31.71 1xp1 h MET 517 CO -0.20 0.76 0.13 1.03 1.06 0.00 0.00 176.91 179.69 1xp1 h SER 518 N 0.71 0.24 -0.43 1.22 0.87 -0.99 0.34 113.55 115.52 1xp1 h SER 518 Ca 0.16 -0.02 -0.00 0.00 -1.23 0.00 0.00 61.79 60.70 1xp1 h SER 518 Cb 0.29 -0.06 -0.02 0.00 -0.44 0.00 0.00 62.40 62.17 1xp1 h SER 518 CO -0.00 0.19 0.26 0.78 -0.53 0.00 0.00 176.83 177.53 1xp1 h ASN 519 N 0.27 0.51 -0.47 6.23 2.35 -0.83 0.37 115.58 124.02 1xp1 h ASN 519 Ca 0.08 -0.05 -0.09 0.00 -0.55 0.00 0.00 56.30 55.68 1xp1 h ASN 519 Cb -0.02 -0.13 -0.02 0.00 0.05 0.00 0.00 38.32 38.20 1xp1 h ASN 519 CO -0.02 0.42 -0.04 0.11 -1.65 0.00 0.00 177.43 176.25 1xp1 h LYS 520 N 0.57 0.91 -0.27 0.81 1.79 -1.04 -1.89 116.57 117.44 1xp1 h LYS 520 Ca 0.15 -0.28 -0.14 0.00 -2.18 0.00 0.00 60.65 58.20 1xp1 h LYS 520 Cb -0.00 -0.09 -0.01 0.00 -1.58 0.00 0.00 32.23 30.55 1xp1 h LYS 520 CO -0.03 0.92 -0.41 0.78 -1.08 0.00 0.00 179.45 179.63 1xp1 h GLY 521 N 0.99 0.70 1.00 3.86 0.00 0.36 -0.66 103.07 109.31 1xp1 h GLY 521 Ca 0.15 -0.71 -0.06 0.00 0.00 0.00 0.00 47.33 46.71 1xp1 h GLY 521 CO 0.03 0.64 0.11 -0.33 0.00 0.00 0.00 176.54 176.99 1xp1 h MET 522 N 0.52 0.87 -0.69 4.80 2.86 -0.14 0.38 114.93 123.54 1xp1 h MET 522 Ca 0.04 -0.22 0.05 0.00 -2.06 0.00 0.00 59.70 57.51 1xp1 h MET 522 Cb 0.94 -0.11 -0.05 0.00 0.06 0.00 0.00 31.60 32.44 1xp1 h MET 522 CO 0.08 0.84 0.39 0.93 1.06 0.00 0.00 176.91 180.22 1xp1 h GLU 523 N 0.76 0.71 -0.14 1.72 5.08 -1.10 0.32 114.58 121.93 1xp1 h GLU 523 Ca 0.16 -0.04 -0.08 0.00 -1.00 0.00 0.00 59.36 58.40 1xp1 h GLU 523 Cb 0.37 -0.16 -0.00 0.00 0.50 0.00 0.00 28.75 29.46 1xp1 h GLU 523 CO 0.01 0.47 -0.22 1.25 -1.00 0.00 0.00 179.01 179.51 1xp1 h HIS 524 N 0.73 0.49 -0.99 4.33 2.76 -0.71 -3.10 115.15 118.68 1xp1 h HIS 524 Ca 0.30 -0.17 0.04 0.00 -2.20 0.00 0.00 60.37 58.35 1xp1 h HIS 524 Cb 0.16 -0.09 -0.06 0.00 1.55 0.00 0.00 27.41 28.96 1xp1 h HIS 524 CO -0.07 0.84 0.64 -0.07 -1.30 0.00 0.00 177.93 177.98 1xp1 h LEU 525 N 0.00 1.06 -6.59 0.26 3.38 -0.10 -3.32 115.31 110.00 1xp1 h LEU 525 Ca 0.01 -0.01 -0.64 0.00 0.09 0.00 0.00 57.88 57.33 1xp1 h LEU 525 Cb 0.80 -0.24 -0.00 0.00 0.09 0.00 0.00 40.66 41.31 1xp1 h LEU 525 CO 0.05 0.72 2.45 0.00 0.09 0.00 0.00 178.44 181.75 1xp1 n TYR 526 N -4.47 2.77 0.00 1.13 9.36 0.09 -2.31 117.16 123.73 1xp1 n TYR 526 Ca 0.14 -2.26 0.00 0.00 3.32 0.00 0.00 57.90 59.10 1xp1 n TYR 526 Cb 0.11 -2.17 0.00 0.00 -0.63 0.00 0.00 39.34 36.65 1xp1 n TYR 526 CO 0.00 0.00 0.00 -1.13 0.22 0.00 0.00 176.86 175.95 1xp1 n SER 527 N 7.81 0.00 -3.86 2.98 3.41 -1.25 -4.92 113.62 117.79 1xp1 n SER 527 Ca 0.50 0.00 -0.09 0.00 -0.26 0.00 0.00 58.87 59.02 1xp1 n SER 527 Cb 0.41 0.00 -0.06 0.00 -0.26 0.00 0.00 64.21 64.30 1xp1 n SER 527 CO 0.00 0.00 0.00 -0.04 -0.16 0.00 0.00 175.04 174.84 1xp1 s MET 528 N 0.00 1.05 0.21 4.33 -1.94 -0.98 -5.07 119.30 116.90 1xp1 s MET 528 Ca 0.00 -1.00 -0.11 0.00 -1.71 0.00 0.00 55.69 52.87 1xp1 s MET 528 Cb 0.00 0.39 0.28 0.00 2.01 0.00 0.00 34.83 37.51 1xp1 s MET 528 CO 0.00 -0.38 1.68 1.57 -0.01 0.00 0.00 175.02 177.88 1xp1 h LYS 529 N 2.56 0.16 0.00 2.03 2.10 -1.99 -3.41 116.57 118.03 1xp1 h LYS 529 Ca -0.33 -0.01 0.00 0.00 -2.00 0.00 0.00 60.65 58.31 1xp1 h LYS 529 Cb 1.22 -0.04 0.00 0.00 -0.90 0.00 0.00 32.23 32.52 1xp1 h LYS 529 CO 0.50 0.11 0.00 0.00 -2.00 0.00 0.00 179.45 178.06 1xp1 n LYS 531 N 0.00 0.00 -1.69 0.00 4.81 -1.26 -5.06 118.16 114.96 1xp1 n LYS 531 Ca 0.00 0.00 0.02 0.00 -0.87 0.00 0.00 58.31 57.46 1xp1 n LYS 531 Cb 0.00 0.00 0.02 0.00 0.02 0.00 0.00 35.03 35.07 1xp1 n LYS 531 CO 0.00 0.00 0.00 -1.71 1.17 0.00 0.00 177.40 176.86 1xp1 n ASN 532 N 0.00 0.86 -4.75 3.14 4.05 -1.26 -5.09 115.26 112.20 1xp1 n ASN 532 Ca 0.00 -2.01 -0.40 0.00 0.45 0.00 0.00 54.58 52.62 1xp1 n ASN 532 Cb 0.00 -0.25 -0.05 0.00 1.23 0.00 0.00 39.78 40.70 1xp1 n ASN 532 CO 0.00 0.00 0.00 -0.69 -3.05 0.00 0.00 177.26 173.52 1xp1 s VAL 533 N -0.60 4.53 0.11 3.44 1.01 -1.26 -4.62 120.40 123.01 1xp1 s VAL 533 Ca 0.29 1.80 0.00 0.00 0.00 0.00 0.00 61.98 64.07 1xp1 s VAL 533 Cb 0.34 -4.19 0.00 0.00 0.00 0.00 0.00 36.38 32.53 1xp1 s VAL 533 CO -0.13 0.40 0.00 0.52 0.00 0.00 0.00 175.10 175.89 1xp1 n VAL 534 N 2.41 -6.06 -1.35 2.92 0.31 -1.26 -4.84 118.33 110.47 1xp1 n VAL 534 Ca -0.02 1.61 -0.37 0.00 -0.01 0.00 0.00 64.34 65.55 1xp1 n VAL 534 Cb 0.49 -2.74 0.06 0.00 -0.91 0.00 0.00 33.84 30.74 1xp1 n VAL 534 CO 0.00 0.00 0.00 -2.65 -1.32 0.00 0.00 176.83 172.86 1xp1 n PRO 535 N 1.59 0.40 -0.01 5.55 -0.02 -1.26 -4.79 135.00 136.46 1xp1 n PRO 535 Ca 0.00 0.17 -0.01 0.00 -2.02 0.00 0.00 63.50 61.65 1xp1 n PRO 535 Cb 0.00 -1.80 0.28 0.00 -0.02 0.00 0.00 33.50 31.96 1xp1 n PRO 535 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 1xp1 h LEU 536 N -0.12 0.51 0.19 2.45 5.85 -1.94 -2.82 115.31 119.43 1xp1 h LEU 536 Ca -0.46 -0.10 0.01 0.00 0.84 0.00 0.00 57.88 58.17 1xp1 h LEU 536 Cb 1.37 -0.14 -0.02 0.00 0.37 0.00 0.00 40.66 42.24 1xp1 h LEU 536 CO 0.44 0.59 -0.23 0.22 -0.34 0.00 0.00 178.44 179.12 1xp1 h TYR 537 N 0.52 -0.62 -0.20 1.25 5.03 -1.95 -1.51 116.97 119.49 1xp1 h TYR 537 Ca 0.11 0.01 -0.02 0.00 2.58 0.00 0.00 58.73 61.41 1xp1 h TYR 537 Cb 0.35 0.25 -0.01 0.00 1.55 0.00 0.00 36.73 38.86 1xp1 h TYR 537 CO 0.01 -0.34 0.05 -0.44 -1.32 0.00 0.00 178.16 176.12 1xp1 h ASP 538 N -0.48 0.25 0.09 -2.11 3.32 -1.89 0.80 116.42 116.41 1xp1 h ASP 538 Ca 0.01 -0.02 -0.25 0.00 0.02 0.00 0.00 57.03 56.79 1xp1 h ASP 538 Cb 0.46 -0.06 0.01 0.00 0.22 0.00 0.00 39.33 39.96 1xp1 h ASP 538 CO -0.08 0.27 -0.98 0.25 -1.72 0.00 0.00 179.24 176.98 1xp1 h LEU 539 N 0.28 0.80 -0.49 1.55 5.85 -1.19 -2.25 115.31 119.86 1xp1 h LEU 539 Ca 0.07 -0.62 -0.00 0.00 0.84 0.00 0.00 57.88 58.17 1xp1 h LEU 539 Cb 0.12 -0.24 -0.02 0.00 0.37 0.00 0.00 40.66 40.89 1xp1 h LEU 539 CO -0.00 1.42 0.30 -0.07 -0.34 0.00 0.00 178.44 179.75 1xp1 h LEU 540 N 0.36 0.58 0.06 2.25 3.38 -0.99 -2.72 115.31 118.24 1xp1 h LEU 540 Ca -0.10 -0.05 0.01 0.00 0.09 0.00 0.00 57.88 57.83 1xp1 h LEU 540 Cb 1.62 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 42.21 1xp1 h LEU 540 CO 0.19 0.46 -0.12 0.25 0.09 0.00 0.00 178.44 179.31 1xp1 h LEU 541 N 0.66 -0.33 -0.66 1.67 5.85 -0.77 0.44 115.31 122.16 1xp1 h LEU 541 Ca 0.18 0.04 0.10 0.00 0.84 0.00 0.00 57.88 59.04 1xp1 h LEU 541 Cb -0.02 0.13 -0.12 0.00 0.37 0.00 0.00 40.66 41.02 1xp1 h LEU 541 CO -0.03 -0.18 -0.42 -0.33 -0.34 0.00 0.00 178.44 177.14 1xp1 h GLU 542 N -0.23 -0.16 -0.21 1.25 4.39 -1.38 1.41 114.58 119.65 1xp1 h GLU 542 Ca 0.02 0.01 -0.01 0.00 0.34 0.00 0.00 59.36 59.72 1xp1 h GLU 542 Cb 0.25 0.04 -0.01 0.00 -0.10 0.00 0.00 28.75 28.93 1xp1 h GLU 542 CO -0.07 -0.11 0.09 0.52 -1.16 0.00 0.00 179.01 178.28 1xp1 h MET 543 N -0.17 0.31 0.05 2.33 2.86 -1.14 -3.20 114.93 115.97 1xp1 h MET 543 Ca 0.21 -0.05 -0.27 0.00 -2.06 0.00 0.00 59.70 57.53 1xp1 h MET 543 Cb 0.56 -0.05 0.02 0.00 0.06 0.00 0.00 31.60 32.18 1xp1 h MET 543 CO -0.74 0.34 -1.10 -0.07 1.06 0.00 0.00 176.91 176.40 1xp1 h LEU 544 N 0.20 0.77 -5.78 1.22 3.38 0.44 -3.38 115.31 112.15 1xp1 h LEU 544 Ca 0.07 -0.66 -0.63 0.00 0.09 0.00 0.00 57.88 56.76 1xp1 h LEU 544 Cb 0.14 -0.24 0.01 0.00 0.09 0.00 0.00 40.66 40.66 1xp1 h LEU 544 CO -0.01 1.47 3.00 -0.67 0.09 0.00 0.00 178.44 182.32 1xp1 n ASP 545 N -3.78 4.86 -4.87 -0.43 2.03 0.48 -4.93 116.55 109.90 1xp1 n ASP 545 Ca -0.11 -2.64 -0.31 0.00 0.52 0.00 0.00 54.79 52.25 1xp1 n ASP 545 Cb 0.92 -1.40 -0.04 0.00 -0.72 0.00 0.00 41.12 39.88 1xp1 n ASP 545 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1xp1 s ALA 546 N 3.44 3.33 0.94 -1.67 0.00 -1.26 -4.90 121.76 121.64 1xp1 s ALA 546 Ca 0.53 -0.15 -0.12 0.00 0.00 0.00 0.00 51.96 52.22 1xp1 s ALA 546 Cb 0.14 -2.73 0.19 0.00 0.00 0.00 0.00 23.12 20.72 1xp1 s ALA 546 CO -0.02 0.03 1.15 -2.39 0.00 0.00 0.00 175.76 174.52 1xp1 n HIS 547 N -1.18 -3.78 -1.74 0.00 1.44 -1.26 -5.00 115.22 103.70 1xp1 n HIS 547 Ca 0.03 -1.19 -0.06 0.00 -2.01 0.00 0.00 57.72 54.49 1xp1 n HIS 547 Cb 0.54 -0.88 0.14 0.00 0.12 0.00 0.00 29.99 29.91 1xp1 n HIS 547 CO 0.00 0.00 0.00 0.54 -2.81 0.00 0.00 176.34 174.07 1xp1 n ARG 548 N -3.38 2.34 -0.01 -1.40 1.74 -1.26 -4.73 116.66 109.97 1xp1 n ARG 548 Ca 0.15 -3.61 -0.07 0.00 -0.77 0.00 0.00 57.85 53.55 1xp1 n ARG 548 Cb 0.53 -1.88 0.11 0.00 -1.02 0.00 0.00 32.46 30.20 1xp1 n ARG 548 CO 0.00 0.00 0.00 -0.07 -1.52 0.00 0.00 177.63 176.04 1xp1 h LEU 549 N 1.43 0.59 -2.73 0.55 3.38 -2.05 -2.88 115.31 113.60 1xp1 h LEU 549 Ca 0.15 -0.26 -0.19 0.00 0.09 0.00 0.00 57.88 57.68 1xp1 h LEU 549 Cb 1.23 -0.17 -0.11 0.00 0.09 0.00 0.00 40.66 41.71 1xp1 h LEU 549 CO 0.31 0.92 0.24 1.41 0.09 0.00 0.00 178.44 181.41 1xp1 n HIS 550 N -4.03 1.09 1.90 1.13 8.25 -1.26 -5.35 115.22 116.94 1xp1 n HIS 550 Ca -0.02 -1.00 0.15 0.00 -0.26 0.00 0.00 57.72 56.59 1xp1 n HIS 550 Cb 0.51 -0.51 0.90 0.00 1.12 0.00 0.00 29.99 32.01 1xp1 n HIS 550 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98