#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hm1 n ASN 304 N 0.00 -0.26 -3.66 -5.58 2.04 -1.26 -5.16 115.26 101.38 3hm1 n ASN 304 Ca 0.00 -2.51 -0.14 0.00 -0.44 0.00 0.00 54.58 51.49 3hm1 n ASN 304 Cb 0.00 1.09 -0.14 0.00 -2.53 0.00 0.00 39.78 38.20 3hm1 n ASN 304 CO 0.00 0.00 0.00 -0.55 -0.44 0.00 0.00 177.26 176.27 3hm1 s SER 305 N -2.62 0.46 0.00 0.53 0.15 -1.26 -4.98 113.70 105.98 3hm1 s SER 305 Ca 0.26 0.52 0.02 0.00 0.70 0.00 0.00 55.95 57.45 3hm1 s SER 305 Cb 0.01 0.60 0.15 0.00 -1.71 0.00 0.00 66.02 65.06 3hm1 s SER 305 CO 0.18 -0.24 0.65 -0.11 1.20 0.00 0.00 173.24 174.92 3hm1 n LEU 306 N 5.34 0.00 0.03 3.45 0.00 -1.26 -0.48 117.00 124.09 3hm1 n LEU 306 Ca -0.06 0.02 -0.07 0.00 0.00 0.00 0.00 56.01 55.90 3hm1 n LEU 306 Cb 0.50 -0.02 -0.12 0.00 0.00 0.00 0.00 43.42 43.78 3hm1 n LEU 306 CO 0.03 -0.02 -0.12 0.00 0.00 0.00 0.00 177.39 177.28 3hm1 h ALA 307 N 2.15 0.55 0.00 1.96 0.00 -1.93 -3.28 119.26 118.71 3hm1 h ALA 307 Ca 0.00 -1.10 0.00 0.00 0.00 0.00 0.00 54.91 53.81 3hm1 h ALA 307 Cb 0.00 0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.91 3hm1 h ALA 307 CO 0.00 1.33 0.00 1.28 0.00 0.00 0.00 179.25 181.86 3hm1 n LEU 308 N -3.20 0.02 -0.08 0.00 7.99 0.37 -3.14 117.00 118.96 3hm1 n LEU 308 Ca -0.07 0.50 0.01 0.00 -0.01 0.00 0.00 56.01 56.44 3hm1 n LEU 308 Cb 0.97 -0.50 0.02 0.00 -0.11 0.00 0.00 43.42 43.80 3hm1 n LEU 308 CO 0.46 -0.03 0.49 -1.20 -1.51 0.00 0.00 177.39 175.60 3hm1 n SER 309 N -1.52 2.01 -4.76 -1.43 7.64 -1.25 -5.00 113.62 109.30 3hm1 n SER 309 Ca 0.07 -1.89 -0.39 0.00 1.01 0.00 0.00 58.87 57.66 3hm1 n SER 309 Cb 0.33 -0.03 0.01 0.00 -1.01 0.00 0.00 64.21 63.51 3hm1 n SER 309 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 3hm1 s LEU 310 N -0.90 4.12 0.98 -3.43 1.43 -1.19 -5.03 118.68 114.66 3hm1 s LEU 310 Ca 0.03 2.70 -0.16 0.00 -1.03 0.00 0.00 54.13 55.67 3hm1 s LEU 310 Cb 0.02 -4.00 0.21 0.00 0.03 0.00 0.00 46.19 42.44 3hm1 s LEU 310 CO 0.02 -1.04 1.30 0.42 0.23 0.00 0.00 176.35 177.28 3hm1 s THR 311 N -1.28 1.97 0.04 5.49 -4.23 -1.26 -4.90 115.64 111.47 3hm1 s THR 311 Ca 0.61 0.00 -0.25 0.00 -1.18 0.00 0.00 61.69 60.87 3hm1 s THR 311 Cb -0.39 -2.96 -0.14 0.00 1.34 0.00 0.00 72.50 70.36 3hm1 s THR 311 CO 0.49 0.00 1.37 0.00 -0.54 0.00 0.00 174.62 175.94 3hm1 h ALA 312 N -1.72 -1.23 -0.95 3.99 0.00 -1.94 -2.44 119.26 114.97 3hm1 h ALA 312 Ca -0.44 -0.19 0.29 0.00 0.00 0.00 0.00 54.91 54.57 3hm1 h ALA 312 Cb 1.24 0.35 -0.16 0.00 0.00 0.00 0.00 17.79 19.22 3hm1 h ALA 312 CO 0.38 -1.17 0.27 -0.44 0.00 0.00 0.00 179.25 178.29 3hm1 h ASP 313 N -0.88 -0.02 0.47 0.00 3.32 -1.95 0.25 116.42 117.60 3hm1 h ASP 313 Ca -0.09 0.24 -0.10 0.00 0.02 0.00 0.00 57.03 57.09 3hm1 h ASP 313 Cb 0.68 0.32 -0.01 0.00 0.22 0.00 0.00 39.33 40.53 3hm1 h ASP 313 CO 0.14 -0.27 -0.48 1.56 -1.72 0.00 0.00 179.24 178.46 3hm1 h GLN 314 N 0.12 0.02 -0.15 3.56 4.20 -1.92 -0.93 115.11 120.01 3hm1 h GLN 314 Ca 0.65 -0.01 -0.04 0.00 0.06 0.00 0.00 58.65 59.31 3hm1 h GLN 314 Cb 1.45 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 29.23 3hm1 h GLN 314 CO -0.76 0.50 -0.06 1.98 -0.67 0.00 0.00 178.83 179.82 3hm1 h MET 315 N 0.01 0.30 -0.26 1.46 4.05 -0.04 -2.02 114.93 118.43 3hm1 h MET 315 Ca -0.00 -0.13 -0.01 0.00 -0.28 0.00 0.00 59.70 59.28 3hm1 h MET 315 Cb 0.86 -0.01 -0.01 0.00 -0.80 0.00 0.00 31.60 31.64 3hm1 h MET 315 CO 0.06 0.62 0.14 0.28 0.23 0.00 0.00 176.91 178.24 3hm1 h VAL 316 N -0.03 1.13 -0.37 -5.77 2.07 -1.13 -1.80 116.25 110.35 3hm1 h VAL 316 Ca 0.03 -0.35 0.03 0.00 0.82 0.00 0.00 66.70 67.24 3hm1 h VAL 316 Cb 0.52 0.89 -0.04 0.00 -1.52 0.00 0.00 31.29 31.14 3hm1 h VAL 316 CO 0.02 0.13 0.16 0.28 0.02 0.00 0.00 177.57 178.18 3hm1 h SER 317 N 0.30 0.22 0.93 0.57 0.02 -1.21 -0.84 113.55 113.54 3hm1 h SER 317 Ca 0.09 0.03 -0.08 0.00 -0.84 0.00 0.00 61.79 60.99 3hm1 h SER 317 Cb 0.08 -0.01 -0.01 0.00 0.14 0.00 0.00 62.40 62.60 3hm1 h SER 317 CO -0.01 0.17 -0.36 0.00 -1.14 0.00 0.00 176.83 175.48 3hm1 h ALA 318 N 1.21 0.96 0.21 3.77 0.00 -1.20 -2.57 119.26 121.64 3hm1 h ALA 318 Ca 0.16 -0.33 -0.31 0.00 0.00 0.00 0.00 54.91 54.43 3hm1 h ALA 318 Cb 0.10 -0.06 0.03 0.00 0.00 0.00 0.00 17.79 17.86 3hm1 h ALA 318 CO -0.14 0.46 -1.39 -0.07 0.00 0.00 0.00 179.25 178.11 3hm1 h LEU 319 N 0.00 0.69 -0.65 0.00 3.38 -1.02 -3.10 115.31 114.61 3hm1 h LEU 319 Ca -0.00 -0.73 -0.11 0.00 0.09 0.00 0.00 57.88 57.13 3hm1 h LEU 319 Cb 0.93 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 41.44 3hm1 h LEU 319 CO 0.05 1.57 -0.11 -0.07 0.09 0.00 0.00 178.44 179.97 3hm1 h LEU 320 N 0.12 0.94 -0.41 1.67 3.38 -1.04 -2.89 115.31 117.08 3hm1 h LEU 320 Ca -0.21 -0.30 0.00 0.00 0.09 0.00 0.00 57.88 57.46 3hm1 h LEU 320 Cb 2.10 -0.26 0.00 0.00 0.09 0.00 0.00 40.66 42.59 3hm1 h LEU 320 CO 0.25 1.06 0.00 0.44 0.09 0.00 0.00 178.44 180.28 3hm1 h ASP 321 N 0.84 0.00 0.65 -0.43 5.19 -1.58 -3.03 116.42 118.06 3hm1 h ASP 321 Ca 0.13 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.54 3hm1 h ASP 321 Cb 0.65 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.16 3hm1 h ASP 321 CO 0.05 0.00 -0.07 0.00 -3.12 0.00 0.00 179.24 176.09 3hm1 n ALA 322 N -2.09 2.60 -1.60 3.45 0.00 -1.10 -4.90 120.51 116.87 3hm1 n ALA 322 Ca 0.03 -0.18 -0.48 0.00 0.00 0.00 0.00 53.44 52.82 3hm1 n ALA 322 Cb 0.47 -1.41 -0.04 0.00 0.00 0.00 0.00 19.45 18.47 3hm1 n ALA 322 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 3hm1 n GLU 323 N -1.30 1.38 -1.50 0.00 -0.58 -1.15 -4.64 120.64 112.86 3hm1 n GLU 323 Ca 0.11 0.49 -0.30 0.00 -0.42 0.00 0.00 57.16 57.04 3hm1 n GLU 323 Cb 0.29 -2.03 0.08 0.00 -0.57 0.00 0.00 31.44 29.21 3hm1 n GLU 323 CO 0.00 0.00 0.00 -2.14 -0.48 0.00 0.00 177.13 174.51 3hm1 s PRO 324 N -0.41 2.31 0.64 3.49 0.02 -1.26 -5.03 135.00 134.75 3hm1 s PRO 324 Ca 0.72 0.81 -0.12 0.00 0.02 0.00 0.00 61.00 62.43 3hm1 s PRO 324 Cb -0.80 -1.93 -0.02 0.00 0.02 0.00 0.00 34.50 31.77 3hm1 s PRO 324 CO 0.52 -1.51 1.04 -1.25 -0.33 0.00 0.00 177.00 175.47 3hm1 s PRO 325 N -5.07 3.33 -0.01 5.54 0.04 -1.26 -5.02 135.00 132.55 3hm1 s PRO 325 Ca 0.60 0.91 -0.30 0.00 0.04 0.00 0.00 61.00 62.25 3hm1 s PRO 325 Cb -0.15 -2.04 -0.04 0.00 0.04 0.00 0.00 34.50 32.31 3hm1 s PRO 325 CO 0.55 -0.79 1.13 0.42 0.04 0.00 0.00 177.00 178.35 3hm1 s ILE 326 N -2.98 4.38 0.23 0.56 -1.09 -1.26 -5.05 121.20 115.99 3hm1 s ILE 326 Ca 0.58 1.70 0.06 0.00 -2.23 0.00 0.00 60.65 60.76 3hm1 s ILE 326 Cb -0.13 -4.09 -0.03 0.00 -1.58 0.00 0.00 42.46 36.63 3hm1 s ILE 326 CO 0.50 0.08 0.27 -0.76 -1.23 0.00 0.00 174.94 173.80 3hm1 s LEU 327 N 1.50 4.07 0.16 2.97 1.43 -1.26 -5.05 118.68 122.50 3hm1 s LEU 327 Ca 0.55 -0.08 0.03 0.00 -1.03 0.00 0.00 54.13 53.61 3hm1 s LEU 327 Cb -0.25 -2.61 -0.04 0.00 0.03 0.00 0.00 46.19 43.33 3hm1 s LEU 327 CO 0.25 -0.04 0.25 -0.31 0.23 0.00 0.00 176.35 176.74 3hm1 s TYR 328 N -2.02 3.39 0.08 0.29 2.02 -1.26 -4.41 117.35 115.44 3hm1 s TYR 328 Ca 0.33 0.07 -0.23 0.00 -0.37 0.00 0.00 57.07 56.87 3hm1 s TYR 328 Cb -0.09 -1.61 -0.06 0.00 -0.40 0.00 0.00 41.96 39.80 3hm1 s TYR 328 CO 0.27 0.51 0.71 0.45 -1.57 0.00 0.00 175.55 175.92 3hm1 s SER 329 N -3.28 7.21 0.00 2.29 0.15 -1.26 -4.93 113.70 113.87 3hm1 s SER 329 Ca 0.34 1.43 -0.01 0.00 0.70 0.00 0.00 55.95 58.41 3hm1 s SER 329 Cb -0.11 -2.44 -0.04 0.00 -1.71 0.00 0.00 66.02 61.73 3hm1 s SER 329 CO 0.27 0.14 2.13 -1.84 1.20 0.00 0.00 173.24 175.14 3hm1 n GLU 330 N 2.21 1.09 -2.60 5.44 0.00 -1.26 -4.87 120.64 120.64 3hm1 n GLU 330 Ca -0.06 -0.13 -0.43 0.00 0.00 0.00 0.00 57.16 56.55 3hm1 n GLU 330 Cb 0.50 -1.15 -0.02 0.00 0.00 0.00 0.00 31.44 30.77 3hm1 n GLU 330 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 177.13 176.66 3hm1 s TYR 331 N 0.22 3.22 -0.49 -1.84 6.04 -1.26 -4.99 117.35 118.24 3hm1 s TYR 331 Ca 0.09 1.36 -0.18 0.00 0.04 0.00 0.00 57.07 58.38 3hm1 s TYR 331 Cb 0.04 -3.34 0.06 0.00 -1.04 0.00 0.00 41.96 37.69 3hm1 s TYR 331 CO 0.00 -0.77 0.54 0.34 -1.54 0.00 0.00 175.55 174.12 3hm1 s ASP 332 N 1.39 6.19 -0.02 4.32 -1.08 -1.26 -4.94 116.67 121.28 3hm1 s ASP 332 Ca 0.47 -1.07 0.00 0.00 -0.52 0.00 0.00 52.55 51.42 3hm1 s ASP 332 Cb -0.16 -2.25 0.03 0.00 -1.46 0.00 0.00 42.92 39.08 3hm1 s ASP 332 CO 0.08 -0.80 0.89 -0.81 0.52 0.00 0.00 175.17 175.06 3hm1 n PRO 333 N 5.80 1.10 -0.28 4.34 -0.05 -1.26 -3.69 135.00 140.95 3hm1 n PRO 333 Ca -0.09 -0.14 0.09 0.00 -0.05 0.00 0.00 63.50 63.31 3hm1 n PRO 333 Cb 0.45 -1.20 0.21 0.00 -0.05 0.00 0.00 33.50 32.90 3hm1 n PRO 333 CO 0.00 0.00 0.00 -2.37 -0.05 0.00 0.00 175.50 173.08 3hm1 n THR 334 N 0.30 2.06 -3.64 0.52 5.66 -1.26 -4.98 114.28 112.94 3hm1 n THR 334 Ca 0.02 -1.97 -0.07 0.00 -3.05 0.00 0.00 64.05 58.99 3hm1 n THR 334 Cb 0.48 -0.20 -0.07 0.00 -1.55 0.00 0.00 70.33 68.98 3hm1 n THR 334 CO 0.00 0.00 0.00 -0.60 -3.05 0.00 0.00 175.07 171.42 3hm1 s ARG 335 N -2.73 0.42 0.84 1.09 3.52 -1.24 -5.17 118.95 115.67 3hm1 s ARG 335 Ca 0.37 0.55 -0.13 0.00 -0.13 0.00 0.00 55.73 56.38 3hm1 s ARG 335 Cb 0.30 0.18 0.06 0.00 -1.56 0.00 0.00 34.95 33.93 3hm1 s ARG 335 CO 0.07 -0.06 0.87 -2.30 -0.81 0.00 0.00 175.30 173.07 3hm1 n PRO 336 N 2.51 0.00 -2.43 5.12 -0.02 -1.26 -4.96 135.00 133.95 3hm1 n PRO 336 Ca -0.14 0.07 -0.42 0.00 -2.02 0.00 0.00 63.50 60.99 3hm1 n PRO 336 Cb 0.56 -2.17 -0.03 0.00 -0.02 0.00 0.00 33.50 31.84 3hm1 n PRO 336 CO 0.00 0.00 0.00 -0.06 1.98 0.00 0.00 175.50 177.42 3hm1 s PHE 337 N -2.22 3.47 0.13 6.00 2.99 -1.26 -4.97 117.98 122.12 3hm1 s PHE 337 Ca 0.67 1.40 0.02 0.00 0.00 0.00 0.00 56.93 59.02 3hm1 s PHE 337 Cb -0.27 -3.39 -0.04 0.00 0.00 0.00 0.00 43.02 39.32 3hm1 s PHE 337 CO 0.57 -1.09 -0.04 -1.54 -0.00 0.00 0.00 175.22 173.13 3hm1 s SER 338 N 0.56 1.11 0.15 1.36 1.04 -1.26 -5.00 113.70 111.66 3hm1 s SER 338 Ca 0.55 -1.08 -0.25 0.00 0.48 0.00 0.00 55.95 55.65 3hm1 s SER 338 Cb -0.30 0.12 0.01 0.00 0.10 0.00 0.00 66.02 65.94 3hm1 s SER 338 CO 0.32 -0.52 1.60 -0.08 0.98 0.00 0.00 173.24 175.54 3hm1 h GLU 339 N 2.87 -0.33 -0.22 4.02 4.81 -1.96 0.10 114.58 123.87 3hm1 h GLU 339 Ca -0.36 0.02 0.04 0.00 -0.13 0.00 0.00 59.36 58.94 3hm1 h GLU 339 Cb 1.18 0.08 -0.04 0.00 0.63 0.00 0.00 28.75 30.60 3hm1 h GLU 339 CO 0.64 -0.22 -0.05 0.00 -0.73 0.00 0.00 179.01 178.64 3hm1 h ALA 340 N 0.51 0.14 -0.16 2.92 0.00 -1.98 -1.68 119.26 119.02 3hm1 h ALA 340 Ca 0.13 0.08 -0.11 0.00 0.00 0.00 0.00 54.91 55.01 3hm1 h ALA 340 Cb 0.56 0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.50 3hm1 h ALA 340 CO -0.46 -0.47 -0.37 0.66 0.00 0.00 0.00 179.25 178.61 3hm1 h SER 341 N 0.00 0.36 -0.13 0.00 4.64 -1.65 0.30 113.55 117.08 3hm1 h SER 341 Ca 0.10 -0.14 -0.08 0.00 -0.47 0.00 0.00 61.79 61.20 3hm1 h SER 341 Cb 0.16 -0.10 -0.00 0.00 -0.31 0.00 0.00 62.40 62.15 3hm1 h SER 341 CO -0.22 0.70 -0.22 -0.03 -0.87 0.00 0.00 176.83 176.19 3hm1 h MET 342 N 0.30 0.38 -0.96 4.77 1.85 -0.74 -1.17 114.93 119.36 3hm1 h MET 342 Ca 0.03 -0.23 0.08 0.00 -0.61 0.00 0.00 59.70 58.97 3hm1 h MET 342 Cb 0.79 0.03 -0.07 0.00 0.43 0.00 0.00 31.60 32.78 3hm1 h MET 342 CO 0.06 0.83 0.62 0.52 -0.40 0.00 0.00 176.91 178.53 3hm1 h MET 343 N -0.03 1.02 0.08 0.39 2.07 -1.06 0.31 114.93 117.71 3hm1 h MET 343 Ca 0.01 -0.06 -0.00 0.00 -2.07 0.00 0.00 59.70 57.57 3hm1 h MET 343 Cb 0.80 -0.23 0.00 0.00 -1.87 0.00 0.00 31.60 30.30 3hm1 h MET 343 CO 0.05 0.67 -0.04 0.78 1.07 0.00 0.00 176.91 179.45 3hm1 h GLY 344 N 1.05 -0.11 1.01 8.32 0.00 -0.22 0.58 103.07 113.70 3hm1 h GLY 344 Ca 0.43 0.04 -0.02 0.00 0.00 0.00 0.00 47.33 47.78 3hm1 h GLY 344 CO -0.18 -0.04 0.38 1.41 0.00 0.00 0.00 176.54 178.11 3hm1 h LEU 345 N -0.11 0.91 -0.36 3.11 3.38 -0.64 -1.43 115.31 120.17 3hm1 h LEU 345 Ca -0.01 -0.11 -0.08 0.00 0.09 0.00 0.00 57.88 57.77 3hm1 h LEU 345 Cb 0.08 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.59 3hm1 h LEU 345 CO 0.02 0.76 -0.11 -0.07 0.09 0.00 0.00 178.44 179.13 3hm1 h LEU 346 N 1.00 0.71 -0.37 1.67 3.38 -0.69 -1.42 115.31 119.58 3hm1 h LEU 346 Ca 0.25 -0.37 -0.19 0.00 0.09 0.00 0.00 57.88 57.66 3hm1 h LEU 346 Cb 0.06 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.61 3hm1 h LEU 346 CO -0.04 0.92 -0.79 0.71 0.09 0.00 0.00 178.44 179.34 3hm1 h THR 347 N 0.49 1.41 0.11 0.22 1.35 -0.87 0.23 112.91 115.86 3hm1 h THR 347 Ca 0.09 -2.29 0.00 0.00 -0.55 0.00 0.00 66.41 63.66 3hm1 h THR 347 Cb 0.62 2.24 -0.01 0.00 -1.73 0.00 0.00 68.15 69.27 3hm1 h THR 347 CO 0.04 0.68 -0.10 -1.13 -0.25 0.00 0.00 175.52 174.76 3hm1 h ASN 348 N 0.21 -0.27 -0.89 5.36 -0.73 -1.25 -0.30 115.58 117.71 3hm1 h ASN 348 Ca -0.04 0.03 -0.01 0.00 1.87 0.00 0.00 56.30 58.15 3hm1 h ASN 348 Cb 1.37 0.09 -0.04 0.00 0.27 0.00 0.00 38.32 40.01 3hm1 h ASN 348 CO 0.13 -0.16 0.53 0.25 -0.37 0.00 0.00 177.43 177.81 3hm1 h LEU 349 N -0.23 1.08 -0.71 0.34 5.85 -1.09 -2.53 115.31 118.03 3hm1 h LEU 349 Ca 0.00 -0.07 -0.04 0.00 0.84 0.00 0.00 57.88 58.62 3hm1 h LEU 349 Cb 0.22 -0.27 -0.03 0.00 0.37 0.00 0.00 40.66 40.95 3hm1 h LEU 349 CO -0.02 0.84 0.30 0.00 -0.34 0.00 0.00 178.44 179.22 3hm1 h ALA 350 N 1.34 0.92 -0.89 1.25 0.00 -0.70 -0.91 119.26 120.28 3hm1 h ALA 350 Ca 0.32 -0.17 -0.02 0.00 0.00 0.00 0.00 54.91 55.03 3hm1 h ALA 350 Cb -0.04 -0.28 -0.04 0.00 0.00 0.00 0.00 17.79 17.43 3hm1 h ALA 350 CO -0.06 0.53 0.47 0.22 0.00 0.00 0.00 179.25 180.41 3hm1 h ASP 351 N 1.01 1.12 0.31 0.00 1.82 -0.64 -0.20 116.42 119.84 3hm1 h ASP 351 Ca 0.24 -0.11 -0.32 0.00 -0.39 0.00 0.00 57.03 56.44 3hm1 h ASP 351 Cb 0.19 -0.29 0.03 0.00 0.68 0.00 0.00 39.33 39.94 3hm1 h ASP 351 CO -0.02 0.92 -1.42 0.03 -1.61 0.00 0.00 179.24 177.14 3hm1 h ARG 352 N 1.25 0.51 -0.91 0.28 3.08 -1.30 -3.16 114.38 114.13 3hm1 h ARG 352 Ca 0.31 -0.84 0.09 0.00 0.07 0.00 0.00 59.98 59.61 3hm1 h ARG 352 Cb 0.06 0.31 -0.07 0.00 0.08 0.00 0.00 29.97 30.35 3hm1 h ARG 352 CO -0.05 1.40 0.55 0.93 -1.07 0.00 0.00 179.97 181.74 3hm1 h GLU 353 N 0.15 0.91 -0.58 0.04 5.08 -1.09 -2.47 114.58 116.62 3hm1 h GLU 353 Ca -0.23 -0.05 0.12 0.00 -1.00 0.00 0.00 59.36 58.19 3hm1 h GLU 353 Cb 2.11 -0.21 -0.11 0.00 0.50 0.00 0.00 28.75 31.04 3hm1 h GLU 353 CO 0.26 0.60 -0.15 -0.07 -1.00 0.00 0.00 179.01 178.66 3hm1 h LEU 354 N 0.94 -0.55 -0.76 1.33 4.07 -0.99 -0.03 115.31 119.32 3hm1 h LEU 354 Ca 0.43 0.18 0.12 0.00 0.08 0.00 0.00 57.88 58.68 3hm1 h LEU 354 Cb 0.33 0.36 -0.08 0.00 1.08 0.00 0.00 40.66 42.35 3hm1 h LEU 354 CO -0.23 -0.19 0.37 0.58 -1.08 0.00 0.00 178.44 177.88 3hm1 h VAL 355 N -0.00 0.78 -0.02 1.22 2.07 -1.43 -1.13 116.25 117.73 3hm1 h VAL 355 Ca 0.28 -0.20 -0.16 0.00 0.82 0.00 0.00 66.70 67.44 3hm1 h VAL 355 Cb 0.43 0.15 -0.02 0.00 -1.52 0.00 0.00 31.29 30.33 3hm1 h VAL 355 CO -0.60 0.11 -0.71 0.45 0.02 0.00 0.00 177.57 176.83 3hm1 h HIS 356 N 0.58 0.15 -0.98 1.57 3.86 -1.31 -3.09 115.15 115.92 3hm1 h HIS 356 Ca 0.39 -0.07 0.04 0.00 -1.16 0.00 0.00 60.37 59.58 3hm1 h HIS 356 Cb 0.50 -0.02 -0.06 0.00 1.06 0.00 0.00 27.41 28.89 3hm1 h HIS 356 CO -0.12 0.78 0.64 1.98 0.86 0.00 0.00 177.93 182.08 3hm1 h MET 357 N 0.07 1.20 -0.14 2.45 -1.53 0.21 -0.22 114.93 116.97 3hm1 h MET 357 Ca -0.02 -0.07 -0.03 0.00 -3.44 0.00 0.00 59.70 56.15 3hm1 h MET 357 Cb 1.26 -0.27 -0.00 0.00 -0.55 0.00 0.00 31.60 32.03 3hm1 h MET 357 CO 0.10 0.79 -0.01 0.82 0.14 0.00 0.00 176.91 178.75 3hm1 h ILE 358 N 1.23 1.27 -0.56 1.77 2.04 -1.34 0.46 117.51 122.38 3hm1 h ILE 358 Ca 0.40 -0.88 0.11 0.00 1.00 0.00 0.00 64.86 65.48 3hm1 h ILE 358 Cb 0.03 1.57 -0.08 0.00 -0.74 0.00 0.00 36.82 37.59 3hm1 h ILE 358 CO -0.13 0.26 0.09 0.78 0.00 0.00 0.00 178.15 179.15 3hm1 h ASN 359 N -0.02 -0.06 -0.48 1.72 4.21 -1.44 -2.27 115.58 117.25 3hm1 h ASN 359 Ca 0.04 0.11 0.01 0.00 1.21 0.00 0.00 56.30 57.67 3hm1 h ASN 359 Cb 0.40 0.17 -0.03 0.00 -1.12 0.00 0.00 38.32 37.74 3hm1 h ASN 359 CO 0.01 -0.01 0.31 -0.25 -1.29 0.00 0.00 177.43 176.19 3hm1 h TRP 360 N 0.22 0.58 -0.92 1.19 7.01 -0.66 -2.85 115.95 120.52 3hm1 h TRP 360 Ca 0.29 0.01 0.01 0.00 2.11 0.00 0.00 58.89 61.31 3hm1 h TRP 360 Cb 0.43 -0.19 -0.05 0.00 -2.10 0.00 0.00 29.16 27.25 3hm1 h TRP 360 CO -0.26 0.35 0.60 0.00 -2.79 0.00 0.00 178.44 176.34 3hm1 h ALA 361 N 1.19 1.33 0.00 2.65 0.00 -0.49 0.35 119.26 124.28 3hm1 h ALA 361 Ca 0.18 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.02 3hm1 h ALA 361 Cb -0.04 -0.37 0.00 0.00 0.00 0.00 0.00 17.79 17.37 3hm1 h ALA 361 CO -0.05 0.62 0.00 1.63 0.00 0.00 0.00 179.25 181.44 3hm1 n LYS 362 N -4.39 0.06 -0.05 0.00 5.02 -0.89 -1.65 118.16 116.26 3hm1 n LYS 362 Ca 0.11 0.27 0.07 0.00 -2.02 0.00 0.00 58.31 56.73 3hm1 n LYS 362 Cb 0.03 -1.50 0.09 0.00 -0.02 0.00 0.00 35.03 33.62 3hm1 n LYS 362 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 3hm1 n ARG 363 N -1.41 1.33 -2.71 1.97 1.74 0.12 -4.68 116.66 113.03 3hm1 n ARG 363 Ca 0.03 -1.50 -0.43 0.00 -0.77 0.00 0.00 57.85 55.19 3hm1 n ARG 363 Cb 0.10 -1.27 -0.02 0.00 -1.02 0.00 0.00 32.46 30.25 3hm1 n ARG 363 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 3hm1 s VAL 364 N -1.08 4.73 -0.19 1.55 1.01 -0.66 -4.80 120.40 120.97 3hm1 s VAL 364 Ca 0.18 1.96 -0.37 0.00 0.00 0.00 0.00 61.98 63.75 3hm1 s VAL 364 Cb 0.12 -4.28 -0.14 0.00 0.00 0.00 0.00 36.38 32.08 3hm1 s VAL 364 CO 0.17 -0.12 1.82 -2.65 0.00 0.00 0.00 175.10 174.33 3hm1 n PRO 365 N 5.94 1.67 0.00 2.72 -0.02 -1.26 -1.75 135.00 142.30 3hm1 n PRO 365 Ca 0.10 0.61 0.00 0.00 -2.02 0.00 0.00 63.50 62.19 3hm1 n PRO 365 Cb 0.47 -2.38 0.00 0.00 -0.02 0.00 0.00 33.50 31.57 3hm1 n PRO 365 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3hm1 n GLY 366 N 4.34 0.07 0.12 -1.23 0.00 -1.26 -4.93 105.19 102.29 3hm1 n GLY 366 Ca 0.25 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 46.10 3hm1 n GLY 366 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 3hm1 h PHE 367 N 0.00 0.45 0.00 1.61 3.04 -1.63 -3.21 116.94 117.20 3hm1 h PHE 367 Ca 0.00 -0.26 0.00 0.00 3.98 0.00 0.00 57.97 61.69 3hm1 h PHE 367 Cb 0.00 -0.05 0.00 0.00 2.56 0.00 0.00 35.95 38.46 3hm1 h PHE 367 CO 0.00 1.09 0.00 1.55 -2.02 0.00 0.00 178.31 178.93 3hm1 n VAL 368 N -4.32 0.28 0.32 1.41 3.14 -1.26 -1.20 118.33 116.69 3hm1 n VAL 368 Ca -0.11 0.07 0.12 0.00 -2.96 0.00 0.00 64.34 61.47 3hm1 n VAL 368 Cb 0.62 -0.74 0.23 0.00 -1.06 0.00 0.00 33.84 32.90 3hm1 n VAL 368 CO 0.00 0.00 0.00 0.44 -6.46 0.00 0.00 176.83 170.81 3hm1 h ASP 369 N 0.00 0.00 -4.20 6.55 3.45 -1.93 -3.45 116.42 116.83 3hm1 h ASP 369 Ca 0.00 0.00 -0.49 0.00 0.43 0.00 0.00 57.03 56.97 3hm1 h ASP 369 Cb 0.14 0.00 0.06 0.00 -0.56 0.00 0.00 39.33 38.97 3hm1 h ASP 369 CO 0.00 0.00 0.38 -0.76 -1.57 0.00 0.00 179.24 177.29 3hm1 s LEU 370 N -5.81 3.50 0.61 1.55 1.43 -0.35 -5.04 118.68 114.58 3hm1 s LEU 370 Ca 0.08 1.76 -0.16 0.00 -1.03 0.00 0.00 54.13 54.79 3hm1 s LEU 370 Cb 0.07 -4.53 -0.02 0.00 0.03 0.00 0.00 46.19 41.74 3hm1 s LEU 370 CO 0.65 -1.08 1.08 0.28 0.23 0.00 0.00 176.35 177.51 3hm1 s THR 371 N -2.51 3.59 0.19 5.49 -1.32 -1.26 -4.78 115.64 115.03 3hm1 s THR 371 Ca 0.63 0.76 -0.17 0.00 -1.21 0.00 0.00 61.69 61.69 3hm1 s THR 371 Cb -0.15 -3.28 0.15 0.00 -1.51 0.00 0.00 72.50 67.71 3hm1 s THR 371 CO 0.37 -0.44 1.63 -0.07 -2.21 0.00 0.00 174.62 173.90 3hm1 h LEU 372 N 0.32 -0.67 -2.01 9.08 -0.00 -1.96 0.03 115.31 120.11 3hm1 h LEU 372 Ca -0.47 0.17 0.12 0.00 -0.00 0.00 0.00 57.88 57.70 3hm1 h LEU 372 Cb 1.23 0.39 -0.02 0.00 -0.00 0.00 0.00 40.66 42.26 3hm1 h LEU 372 CO 0.56 -0.22 0.30 -0.74 -0.00 0.00 0.00 178.44 178.33 3hm1 h HIS 373 N -0.07 0.00 0.00 1.13 -0.00 -1.99 0.59 115.15 114.81 3hm1 h HIS 373 Ca 0.24 0.00 -0.01 0.00 -0.00 0.00 0.00 60.37 60.60 3hm1 h HIS 373 Cb 0.44 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 27.85 3hm1 h HIS 373 CO -0.48 0.00 -0.06 -0.44 -0.00 0.00 0.00 177.93 176.95 3hm1 h ASP 374 N 0.00 0.04 -0.55 3.26 3.45 -1.43 -2.92 116.42 118.27 3hm1 h ASP 374 Ca 0.19 -0.86 0.11 0.00 0.43 0.00 0.00 57.03 56.91 3hm1 h ASP 374 Cb 0.78 -0.01 -0.09 0.00 -0.56 0.00 0.00 39.33 39.44 3hm1 h ASP 374 CO -0.00 0.89 0.01 1.56 -1.57 0.00 0.00 179.24 180.13 3hm1 h GLN 375 N -0.80 0.12 -0.00 3.56 4.20 0.44 -0.12 115.11 122.51 3hm1 h GLN 375 Ca -0.01 -0.01 0.02 0.00 0.06 0.00 0.00 58.65 58.72 3hm1 h GLN 375 Cb 0.91 -0.03 -0.03 0.00 0.30 0.00 0.00 27.48 28.63 3hm1 h GLN 375 CO 0.01 0.08 -0.15 0.28 -0.67 0.00 0.00 178.83 178.38 3hm1 h VAL 376 N 0.13 0.63 -0.87 -0.54 2.07 0.00 -1.42 116.25 116.25 3hm1 h VAL 376 Ca 0.28 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.86 3hm1 h VAL 376 Cb 0.44 0.63 -0.06 0.00 -1.52 0.00 0.00 31.29 30.78 3hm1 h VAL 376 CO -0.46 0.00 0.55 -0.74 0.02 0.00 0.00 177.57 176.94 3hm1 h HIS 377 N -0.25 1.02 -0.03 1.57 -0.00 -1.15 0.78 115.15 117.09 3hm1 h HIS 377 Ca 0.05 0.03 -0.00 0.00 -0.00 0.00 0.00 60.37 60.45 3hm1 h HIS 377 Cb 0.31 -0.33 -0.00 0.00 -0.00 0.00 0.00 27.41 27.39 3hm1 h HIS 377 CO -0.20 0.54 0.00 -0.07 -0.00 0.00 0.00 177.93 178.20 3hm1 h LEU 378 N 1.03 0.04 -0.01 0.26 4.07 -0.70 -3.19 115.31 116.82 3hm1 h LEU 378 Ca 0.37 -0.26 -0.00 0.00 0.08 0.00 0.00 57.88 58.07 3hm1 h LEU 378 Cb 0.12 -0.01 -0.00 0.00 1.08 0.00 0.00 40.66 41.84 3hm1 h LEU 378 CO -0.15 0.29 0.00 -0.07 -1.08 0.00 0.00 178.44 177.43 3hm1 h LEU 379 N -0.21 0.01 -0.90 1.67 3.38 -0.97 0.05 115.31 118.33 3hm1 h LEU 379 Ca 0.01 -0.07 0.00 0.00 0.09 0.00 0.00 57.88 57.91 3hm1 h LEU 379 Cb 0.27 -0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.02 3hm1 h LEU 379 CO 0.00 0.08 0.00 -0.62 0.09 0.00 0.00 178.44 177.99 3hm1 n GLU 380 N -5.05 0.00 0.00 1.13 1.02 0.24 -0.38 120.64 117.60 3hm1 n GLU 380 Ca -0.07 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.07 3hm1 n GLU 380 Cb 0.06 -0.79 0.00 0.00 -0.02 0.00 0.00 31.44 30.69 3hm1 n GLU 380 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3hm1 n ALA 382 N 0.21 0.00 -0.34 0.62 0.00 0.00 -4.85 120.51 116.15 3hm1 n ALA 382 Ca 0.00 0.00 0.15 0.00 0.00 0.00 0.00 53.44 53.59 3hm1 n ALA 382 Cb 0.00 0.00 0.35 0.00 0.00 0.00 0.00 19.45 19.80 3hm1 n ALA 382 CO 0.00 0.00 0.00 0.11 0.00 0.00 0.00 177.50 177.61 3hm1 h TRP 383 N 0.00 0.97 0.08 0.00 5.08 -0.94 -0.24 115.95 120.91 3hm1 h TRP 383 Ca 0.00 0.04 -0.25 0.00 1.08 0.00 0.00 58.89 59.75 3hm1 h TRP 383 Cb 0.00 -0.28 0.00 0.00 -3.00 0.00 0.00 29.16 25.89 3hm1 h TRP 383 CO 0.00 0.11 -1.11 1.25 -1.28 0.00 0.00 178.44 177.40 3hm1 h LEU 384 N 0.61 0.48 -0.27 0.11 5.85 -1.89 -1.99 115.31 118.22 3hm1 h LEU 384 Ca 0.61 -0.45 0.00 0.00 0.84 0.00 0.00 57.88 58.87 3hm1 h LEU 384 Cb 1.08 -0.15 -0.01 0.00 0.37 0.00 0.00 40.66 41.94 3hm1 h LEU 384 CO -0.45 1.30 0.17 -0.33 -0.34 0.00 0.00 178.44 178.80 3hm1 h GLU 385 N 0.14 0.35 -0.20 1.25 5.08 -1.41 0.12 114.58 119.92 3hm1 h GLU 385 Ca -0.11 -0.02 0.03 0.00 -1.00 0.00 0.00 59.36 58.25 3hm1 h GLU 385 Cb 1.80 -0.08 -0.03 0.00 0.50 0.00 0.00 28.75 30.94 3hm1 h GLU 385 CO 0.19 0.24 0.02 0.82 -1.00 0.00 0.00 179.01 179.28 3hm1 h ILE 386 N 0.36 0.89 -0.09 3.13 2.04 -1.22 0.42 117.51 123.04 3hm1 h ILE 386 Ca 0.10 -0.03 0.03 0.00 1.00 0.00 0.00 64.86 65.96 3hm1 h ILE 386 Cb -0.03 0.79 -0.04 0.00 -0.74 0.00 0.00 36.82 36.80 3hm1 h ILE 386 CO -0.02 0.02 -0.14 -0.07 0.00 0.00 0.00 178.15 177.94 3hm1 h LEU 387 N 0.10 -0.42 -0.28 1.44 3.38 -1.16 -1.51 115.31 116.85 3hm1 h LEU 387 Ca 0.09 0.08 0.06 0.00 0.09 0.00 0.00 57.88 58.19 3hm1 h LEU 387 Cb 0.10 0.20 -0.05 0.00 0.09 0.00 0.00 40.66 40.99 3hm1 h LEU 387 CO -0.13 -0.19 -0.08 0.24 0.09 0.00 0.00 178.44 178.38 3hm1 h MET 388 N -0.19 -0.01 -0.30 1.13 2.86 -0.40 -0.44 114.93 117.59 3hm1 h MET 388 Ca 0.08 0.00 -0.12 0.00 -2.06 0.00 0.00 59.70 57.59 3hm1 h MET 388 Cb 0.30 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.95 3hm1 h MET 388 CO -0.20 -0.01 -0.33 0.97 1.06 0.00 0.00 176.91 178.41 3hm1 h ILE 389 N -0.01 1.28 -0.04 -1.22 2.10 -0.79 -1.07 117.51 117.76 3hm1 h ILE 389 Ca 0.13 -1.46 0.04 0.00 1.08 0.00 0.00 64.86 64.65 3hm1 h ILE 389 Cb 0.21 1.41 -0.05 0.00 -1.09 0.00 0.00 36.82 37.30 3hm1 h ILE 389 CO -0.29 0.47 -0.23 1.23 -1.08 0.00 0.00 178.15 178.25 3hm1 h GLY 390 N 1.00 -0.29 0.25 8.18 0.00 -0.99 -0.58 103.07 110.63 3hm1 h GLY 390 Ca 0.06 0.27 0.11 0.00 0.00 0.00 0.00 47.33 47.78 3hm1 h GLY 390 CO 0.07 -0.19 0.20 -2.00 0.00 0.00 0.00 176.54 174.61 3hm1 h LEU 391 N -0.33 0.13 -0.55 3.11 5.85 -0.53 -1.30 115.31 121.69 3hm1 h LEU 391 Ca 0.07 0.10 -0.11 0.00 0.84 0.00 0.00 57.88 58.78 3hm1 h LEU 391 Cb 0.44 0.11 -0.02 0.00 0.37 0.00 0.00 40.66 41.56 3hm1 h LEU 391 CO -0.24 0.07 -0.10 0.58 -0.34 0.00 0.00 178.44 178.41 3hm1 h VAL 392 N 0.35 1.27 -0.07 1.05 2.07 -0.94 -1.81 116.25 118.17 3hm1 h VAL 392 Ca 0.33 -1.26 0.02 0.00 0.82 0.00 0.00 66.70 66.62 3hm1 h VAL 392 Cb 0.47 0.96 -0.03 0.00 -1.52 0.00 0.00 31.29 31.17 3hm1 h VAL 392 CO -0.37 0.45 -0.08 -0.25 0.02 0.00 0.00 177.57 177.34 3hm1 h TRP 393 N 0.91 -0.19 -0.01 1.57 2.91 -0.47 -2.33 115.95 118.34 3hm1 h TRP 393 Ca 0.14 0.01 0.00 0.00 1.13 0.00 0.00 58.89 60.18 3hm1 h TRP 393 Cb 0.67 0.10 -0.00 0.00 -0.51 0.00 0.00 29.16 29.42 3hm1 h TRP 393 CO 0.05 -0.12 0.01 0.00 -1.03 0.00 0.00 178.44 177.35 3hm1 h ARG 394 N -0.11 0.00 -0.01 2.65 3.08 -0.95 -2.28 114.38 116.76 3hm1 h ARG 394 Ca 0.06 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.11 3hm1 h ARG 394 Cb 0.18 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.23 3hm1 h ARG 394 CO -0.13 0.00 -0.23 0.43 -1.07 0.00 0.00 179.97 178.96 3hm1 n SER 395 N -4.04 1.68 0.00 7.04 7.64 -0.71 -4.66 113.62 120.57 3hm1 n SER 395 Ca -0.03 -1.34 0.00 0.00 1.01 0.00 0.00 58.87 58.51 3hm1 n SER 395 Cb 0.10 0.19 0.00 0.00 -1.01 0.00 0.00 64.21 63.49 3hm1 n SER 395 CO 0.00 0.00 0.00 0.23 -3.01 0.00 0.00 175.04 172.26 3hm1 n MET 396 N -0.03 0.00 -0.54 1.43 2.81 -0.86 -1.77 117.12 118.16 3hm1 n MET 396 Ca 0.13 0.67 -0.06 0.00 -1.81 0.00 0.00 57.70 56.62 3hm1 n MET 396 Cb 0.42 -1.15 0.02 0.00 -0.71 0.00 0.00 33.22 31.80 3hm1 n MET 396 CO 0.00 0.00 0.00 0.39 1.51 0.00 0.00 175.97 177.87 3hm1 n GLU 397 N -1.72 1.31 -3.51 0.03 -0.58 -1.26 -4.09 120.64 110.81 3hm1 n GLU 397 Ca 0.00 -0.64 -0.27 0.00 -0.42 0.00 0.00 57.16 55.84 3hm1 n GLU 397 Cb 0.00 -1.25 -0.10 0.00 -0.57 0.00 0.00 31.44 29.52 3hm1 n GLU 397 CO 0.00 0.00 0.00 0.72 -0.48 0.00 0.00 177.13 177.37 3hm1 n HIS 398 N 0.76 1.42 -1.67 -0.32 8.25 -0.73 -5.11 115.22 117.82 3hm1 n HIS 398 Ca 0.12 -3.84 -0.45 0.00 -0.26 0.00 0.00 57.72 53.29 3hm1 n HIS 398 Cb 0.59 -0.30 -0.04 0.00 1.12 0.00 0.00 29.99 31.37 3hm1 n HIS 398 CO 0.00 0.00 0.00 -2.30 0.64 0.00 0.00 176.34 174.68 3hm1 n PRO 399 N 1.87 2.15 -0.78 -0.41 -0.02 -1.26 -2.01 135.00 134.54 3hm1 n PRO 399 Ca 0.25 0.77 0.00 0.00 -2.02 0.00 0.00 63.50 62.50 3hm1 n PRO 399 Cb 0.44 -2.51 0.00 0.00 -0.02 0.00 0.00 33.50 31.41 3hm1 n PRO 399 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3hm1 n GLY 400 N 3.00 0.91 3.25 -1.23 0.00 -1.26 -5.01 105.19 104.84 3hm1 n GLY 400 Ca 0.15 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 46.01 3hm1 n GLY 400 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3hm1 s LYS 401 N -0.21 1.05 -0.20 1.61 1.02 -0.85 -3.76 119.74 118.39 3hm1 s LYS 401 Ca 0.00 -1.33 -0.02 0.00 0.02 0.00 0.00 55.97 54.64 3hm1 s LYS 401 Cb 0.00 -0.80 0.00 0.00 -0.52 0.00 0.00 37.83 36.51 3hm1 s LYS 401 CO 0.00 0.13 -0.11 -0.51 -0.92 0.00 0.00 175.35 173.95 3hm1 s LEU 402 N -2.76 2.58 -1.24 3.17 1.43 0.17 -4.83 118.68 117.19 3hm1 s LEU 402 Ca 0.12 -0.50 -0.08 0.00 -1.03 0.00 0.00 54.13 52.65 3hm1 s LEU 402 Cb -0.02 -1.63 0.19 0.00 0.03 0.00 0.00 46.19 44.76 3hm1 s LEU 402 CO 0.02 -0.01 1.83 -0.11 0.23 0.00 0.00 176.35 178.32 3hm1 n LEU 403 N 4.70 6.70 -0.12 1.79 7.94 -1.26 -1.11 117.00 135.64 3hm1 n LEU 403 Ca -0.19 -4.78 0.05 0.00 -1.11 0.00 0.00 56.01 49.98 3hm1 n LEU 403 Cb 0.51 -1.43 0.36 0.00 0.53 0.00 0.00 43.42 43.39 3hm1 n LEU 403 CO 0.28 1.49 1.20 -0.26 -1.11 0.00 0.00 177.39 178.99 3hm1 h PHE 404 N 5.60 0.70 -2.25 1.96 -1.00 -1.64 -3.44 116.94 116.87 3hm1 h PHE 404 Ca 0.37 0.02 -0.05 0.00 2.81 0.00 0.00 57.97 61.12 3hm1 h PHE 404 Cb 0.60 -0.23 -0.18 0.00 3.61 0.00 0.00 35.95 39.76 3hm1 h PHE 404 CO 1.23 0.41 0.18 0.00 -1.61 0.00 0.00 178.31 178.51 3hm1 s ALA 405 N -5.63 -1.69 0.49 2.45 0.00 -1.10 -4.94 121.76 111.34 3hm1 s ALA 405 Ca -0.09 1.10 0.30 0.00 0.00 0.00 0.00 51.96 53.27 3hm1 s ALA 405 Cb 0.18 0.19 1.40 0.00 0.00 0.00 0.00 23.12 24.89 3hm1 s ALA 405 CO 0.76 -0.45 1.80 -1.35 0.00 0.00 0.00 175.76 176.52 3hm1 h PRO 406 N 2.82 0.12 -0.65 0.00 0.11 -1.85 1.42 132.00 133.97 3hm1 h PRO 406 Ca -0.29 -0.01 -0.20 0.00 0.11 0.00 0.00 66.00 65.62 3hm1 h PRO 406 Cb 1.18 -0.03 -0.12 0.00 0.11 0.00 0.00 31.00 32.14 3hm1 h PRO 406 CO 0.39 0.08 0.22 0.27 -0.21 0.00 0.00 178.00 178.75 3hm1 n ASN 407 N -4.34 4.46 -3.02 -2.05 6.94 -1.26 -4.63 115.26 111.36 3hm1 n ASN 407 Ca 0.25 -3.27 -0.16 0.00 -0.02 0.00 0.00 54.58 51.37 3hm1 n ASN 407 Cb 1.09 -0.72 -0.03 0.00 -2.36 0.00 0.00 39.78 37.77 3hm1 n ASN 407 CO 0.00 0.00 0.00 -0.11 -1.03 0.00 0.00 177.26 176.12 3hm1 n LEU 408 N -0.33 -1.52 -4.56 -4.53 7.94 0.49 -4.82 117.00 109.66 3hm1 n LEU 408 Ca 0.39 -3.91 -0.42 0.00 -1.11 0.00 0.00 56.01 50.96 3hm1 n LEU 408 Cb 1.31 0.70 -0.07 0.00 0.53 0.00 0.00 43.42 45.89 3hm1 n LEU 408 CO 0.39 1.99 0.31 -0.76 -1.11 0.00 0.00 177.39 178.20 3hm1 s LEU 409 N -0.45 4.32 -0.12 -1.96 1.02 -1.25 -1.60 118.68 118.63 3hm1 s LEU 409 Ca 0.33 0.03 0.00 0.00 0.02 0.00 0.00 54.13 54.51 3hm1 s LEU 409 Cb 0.14 -2.69 -0.02 0.00 0.02 0.00 0.00 46.19 43.64 3hm1 s LEU 409 CO -0.16 -0.55 -0.13 -0.76 0.02 0.00 0.00 176.35 174.77 3hm1 s LEU 410 N 2.56 2.71 0.30 1.79 1.43 -0.26 -4.90 118.68 122.31 3hm1 s LEU 410 Ca 0.22 -0.32 0.04 0.00 -1.03 0.00 0.00 54.13 53.03 3hm1 s LEU 410 Cb -0.15 -1.60 -0.03 0.00 0.03 0.00 0.00 46.19 44.44 3hm1 s LEU 410 CO 0.14 0.18 0.45 1.51 0.23 0.00 0.00 176.35 178.87 3hm1 s ASP 411 N 0.25 6.23 0.36 2.29 1.47 -1.26 0.46 116.67 126.47 3hm1 s ASP 411 Ca -0.09 0.16 0.19 0.00 1.18 0.00 0.00 52.55 53.99 3hm1 s ASP 411 Cb -0.15 -1.80 1.28 0.00 -0.34 0.00 0.00 42.92 41.91 3hm1 s ASP 411 CO 0.05 -0.24 1.60 -0.09 0.68 0.00 0.00 175.17 177.17 3hm1 h ARG 412 N 0.95 0.06 -0.17 2.11 2.43 -1.96 -0.03 114.38 117.77 3hm1 h ARG 412 Ca -0.50 -0.00 -0.15 0.00 -0.81 0.00 0.00 59.98 58.51 3hm1 h ARG 412 Cb 1.23 -0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 30.76 3hm1 h ARG 412 CO 0.60 0.04 -0.54 -0.91 -1.51 0.00 0.00 179.97 177.65 3hm1 h ASN 413 N 0.06 0.54 -0.29 -3.80 4.21 -1.94 -1.45 115.58 112.91 3hm1 h ASN 413 Ca 0.82 -0.28 0.08 0.00 1.21 0.00 0.00 56.30 58.13 3hm1 h ASN 413 Cb 2.10 -0.15 -0.01 0.00 -1.12 0.00 0.00 38.32 39.14 3hm1 h ASN 413 CO -0.74 0.97 0.21 -0.61 -1.29 0.00 0.00 177.43 175.97 3hm1 h GLN 414 N 0.37 0.00 -0.05 0.81 5.75 -1.38 -1.17 115.11 119.45 3hm1 h GLN 414 Ca 0.01 -0.00 0.01 0.00 -0.15 0.00 0.00 58.65 58.52 3hm1 h GLN 414 Cb 1.06 -0.00 -0.00 0.00 1.07 0.00 0.00 27.48 29.61 3hm1 h GLN 414 CO 0.10 0.00 0.04 0.78 -2.65 0.00 0.00 178.83 177.10 3hm1 h GLY 415 N 0.00 0.00 -5.96 2.39 0.00 -1.17 -3.39 103.07 94.93 3hm1 h GLY 415 Ca 0.14 0.00 -0.41 0.00 0.00 0.00 0.00 47.33 47.06 3hm1 h GLY 415 CO -0.00 0.00 2.15 0.28 0.00 0.00 0.00 176.54 178.97 3hm1 n LYS 416 N -4.32 1.39 0.00 4.80 5.02 -0.44 -3.77 118.16 120.84 3hm1 n LYS 416 Ca -0.02 -1.37 0.00 0.00 -2.02 0.00 0.00 58.31 54.90 3hm1 n LYS 416 Cb 0.14 -2.51 0.00 0.00 -0.02 0.00 0.00 35.03 32.63 3hm1 n LYS 416 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 3hm1 n VAL 418 N 5.09 0.00 -1.62 -0.18 0.31 -1.26 -4.91 118.33 115.76 3hm1 n VAL 418 Ca 0.39 0.00 -0.49 0.00 -0.01 0.00 0.00 64.34 64.23 3hm1 n VAL 418 Cb 0.21 0.00 -0.05 0.00 -0.91 0.00 0.00 33.84 33.10 3hm1 n VAL 418 CO 0.00 0.00 0.00 1.21 -1.32 0.00 0.00 176.83 176.72 3hm1 n GLU 419 N 0.00 1.52 0.00 5.55 4.07 -1.26 -0.91 120.64 129.61 3hm1 n GLU 419 Ca 0.00 0.55 0.00 0.00 -0.06 0.00 0.00 57.16 57.65 3hm1 n GLU 419 Cb 0.00 -2.19 0.00 0.00 -0.06 0.00 0.00 31.44 29.19 3hm1 n GLU 419 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 3hm1 n GLY 420 N 2.54 0.18 0.13 8.31 0.00 -1.26 -4.93 105.19 110.16 3hm1 n GLY 420 Ca 0.16 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.97 3hm1 n GLY 420 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 3hm1 n MET 421 N -1.86 0.69 -0.04 1.61 0.00 -0.09 -4.51 117.12 112.92 3hm1 n MET 421 Ca 0.00 0.24 0.21 0.00 0.00 0.00 0.00 57.70 58.15 3hm1 n MET 421 Cb 0.00 -1.63 0.67 0.00 0.00 0.00 0.00 33.22 32.27 3hm1 n MET 421 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 175.97 175.73 3hm1 h VAL 422 N -0.12 0.72 0.00 1.12 3.04 -1.73 0.37 116.25 119.65 3hm1 h VAL 422 Ca -0.50 -0.02 -0.05 0.00 -1.01 0.00 0.00 66.70 65.13 3hm1 h VAL 422 Cb 1.90 0.66 -0.01 0.00 -2.01 0.00 0.00 31.29 31.83 3hm1 h VAL 422 CO -0.04 0.01 -0.23 1.05 -1.01 0.00 0.00 177.57 177.35 3hm1 h GLU 423 N 0.05 0.00 0.22 4.17 9.09 -1.94 0.14 114.58 126.31 3hm1 h GLU 423 Ca 0.29 0.00 -0.34 0.00 0.05 0.00 0.00 59.36 59.36 3hm1 h GLU 423 Cb 1.08 0.00 0.03 0.00 -1.65 0.00 0.00 28.75 28.20 3hm1 h GLU 423 CO -0.02 0.23 -1.56 0.82 0.05 0.00 0.00 179.01 178.53 3hm1 h ILE 424 N 0.00 1.18 -0.64 -1.06 5.03 -0.56 -2.72 117.51 118.74 3hm1 h ILE 424 Ca -0.00 -2.67 0.08 0.00 -0.12 0.00 0.00 64.86 62.14 3hm1 h ILE 424 Cb 0.88 2.94 -0.06 0.00 -3.03 0.00 0.00 36.82 37.54 3hm1 h ILE 424 CO 0.03 0.83 0.31 -0.26 -0.68 0.00 0.00 178.15 178.39 3hm1 h PHE 425 N 0.13 0.57 -0.50 1.37 0.05 -1.18 -0.49 116.94 116.89 3hm1 h PHE 425 Ca -0.28 0.03 0.06 0.00 3.82 0.00 0.00 57.97 61.60 3hm1 h PHE 425 Cb 2.13 -0.16 -0.05 0.00 2.00 0.00 0.00 35.95 39.87 3hm1 h PHE 425 CO 0.11 0.23 0.21 -0.44 -0.18 0.00 0.00 178.31 178.24 3hm1 h ASP 426 N 0.56 0.26 -0.42 2.17 3.45 -0.69 0.11 116.42 121.86 3hm1 h ASP 426 Ca 0.31 0.05 -0.13 0.00 0.43 0.00 0.00 57.03 57.69 3hm1 h ASP 426 Cb 0.29 0.01 -0.01 0.00 -0.56 0.00 0.00 39.33 39.05 3hm1 h ASP 426 CO -0.24 0.18 -0.23 0.24 -1.57 0.00 0.00 179.24 177.62 3hm1 h MET 427 N 0.41 0.90 -0.75 3.56 2.86 -1.22 -1.62 114.93 119.07 3hm1 h MET 427 Ca 0.23 -0.40 -0.01 0.00 -2.06 0.00 0.00 59.70 57.46 3hm1 h MET 427 Cb 0.20 -0.02 -0.04 0.00 0.06 0.00 0.00 31.60 31.81 3hm1 h MET 427 CO -0.20 1.06 0.43 -0.07 1.06 0.00 0.00 176.91 179.18 3hm1 h LEU 428 N 0.72 0.91 -0.31 1.22 3.38 -0.47 -0.63 115.31 120.13 3hm1 h LEU 428 Ca 0.09 -0.06 -0.19 0.00 0.09 0.00 0.00 57.88 57.81 3hm1 h LEU 428 Cb 0.80 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 41.32 3hm1 h LEU 428 CO 0.07 0.71 -0.58 -0.07 0.09 0.00 0.00 178.44 178.66 3hm1 h LEU 429 N 1.04 0.92 -0.46 1.67 3.38 -0.91 -1.90 115.31 119.05 3hm1 h LEU 429 Ca 0.27 -0.51 0.05 0.00 0.09 0.00 0.00 57.88 57.78 3hm1 h LEU 429 Cb -0.01 -0.27 -0.05 0.00 0.09 0.00 0.00 40.66 40.42 3hm1 h LEU 429 CO -0.05 1.30 0.18 0.00 0.09 0.00 0.00 178.44 179.96 3hm1 h ALA 430 N 0.71 0.55 -0.35 1.53 0.00 -0.85 -1.35 119.26 119.52 3hm1 h ALA 430 Ca 0.00 0.05 -0.03 0.00 0.00 0.00 0.00 54.91 54.93 3hm1 h ALA 430 Cb 1.18 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.97 3hm1 h ALA 430 CO 0.12 -0.21 0.08 1.15 0.00 0.00 0.00 179.25 180.40 3hm1 h THR 431 N 0.36 1.16 -0.34 0.00 2.02 -0.97 -2.19 112.91 112.96 3hm1 h THR 431 Ca 0.21 -0.58 -0.09 0.00 0.77 0.00 0.00 66.41 66.72 3hm1 h THR 431 Cb 0.19 0.81 -0.01 0.00 -1.74 0.00 0.00 68.15 67.41 3hm1 h THR 431 CO -0.20 0.21 -0.14 -1.28 0.37 0.00 0.00 175.52 174.48 3hm1 h SER 432 N 0.50 0.71 -0.84 4.18 0.87 -0.51 -2.37 113.55 116.09 3hm1 h SER 432 Ca 0.12 -0.39 0.03 0.00 -1.23 0.00 0.00 61.79 60.31 3hm1 h SER 432 Cb 0.20 -0.19 -0.05 0.00 -0.44 0.00 0.00 62.40 61.91 3hm1 h SER 432 CO -0.00 0.94 0.55 0.28 -0.53 0.00 0.00 176.83 178.06 3hm1 h SER 433 N 0.47 0.91 -0.31 6.23 0.02 -0.89 -1.31 113.55 118.68 3hm1 h SER 433 Ca 0.08 -0.01 -0.04 0.00 -0.84 0.00 0.00 61.79 60.98 3hm1 h SER 433 Cb 0.66 -0.21 -0.01 0.00 0.14 0.00 0.00 62.40 62.98 3hm1 h SER 433 CO 0.04 0.64 0.03 -0.09 -1.14 0.00 0.00 176.83 176.31 3hm1 h ARG 434 N 1.07 0.52 -0.64 3.45 9.65 -1.25 0.14 114.38 127.34 3hm1 h ARG 434 Ca 0.33 -0.15 0.04 0.00 -1.10 0.00 0.00 59.98 59.10 3hm1 h ARG 434 Cb -0.02 -0.06 -0.04 0.00 -1.39 0.00 0.00 29.97 28.46 3hm1 h ARG 434 CO -0.10 0.64 0.38 0.74 2.80 0.00 0.00 179.97 184.42 3hm1 h PHE 435 N 0.34 0.71 -0.06 2.20 0.05 -1.32 -1.85 116.94 117.01 3hm1 h PHE 435 Ca 0.09 0.02 0.00 0.00 3.82 0.00 0.00 57.97 61.90 3hm1 h PHE 435 Cb 0.38 -0.23 -0.00 0.00 2.00 0.00 0.00 35.95 38.10 3hm1 h PHE 435 CO 0.03 0.38 0.04 -0.09 -0.18 0.00 0.00 178.31 178.49 3hm1 h ARG 436 N 0.73 0.07 -0.00 1.51 2.43 -0.66 -1.36 114.38 117.11 3hm1 h ARG 436 Ca 0.27 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.43 3hm1 h ARG 436 Cb 0.07 -0.02 0.00 0.00 -0.42 0.00 0.00 29.97 29.60 3hm1 h ARG 436 CO -0.13 0.07 -0.02 -0.12 -1.51 0.00 0.00 179.97 178.26 3hm1 n MET 437 N -5.04 0.21 -0.39 0.20 0.00 0.45 -2.18 117.12 110.37 3hm1 n MET 437 Ca -0.06 -0.01 0.08 0.00 0.00 0.00 0.00 57.70 57.71 3hm1 n MET 437 Cb 0.04 -1.50 0.24 0.00 0.00 0.00 0.00 33.22 32.00 3hm1 n MET 437 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 3hm1 n MET 438 N -1.39 3.09 -2.92 2.12 0.00 -0.70 -5.00 117.12 112.32 3hm1 n MET 438 Ca 0.10 -2.58 -0.19 0.00 0.00 0.00 0.00 57.70 55.04 3hm1 n MET 438 Cb 0.30 -1.66 0.00 0.00 0.00 0.00 0.00 33.22 31.86 3hm1 n MET 438 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 175.97 176.06 3hm1 n ASN 439 N 0.12 -4.24 -4.49 3.17 4.13 -0.60 -4.86 115.26 108.49 3hm1 n ASN 439 Ca 0.19 -0.13 -0.50 0.00 1.68 0.00 0.00 54.58 55.81 3hm1 n ASN 439 Cb 0.74 -3.52 -0.04 0.00 -1.54 0.00 0.00 39.78 35.41 3hm1 n ASN 439 CO 0.00 0.00 0.00 -0.11 0.28 0.00 0.00 177.26 177.43 3hm1 n LEU 440 N -3.40 0.05 -4.87 3.41 7.94 -0.69 -4.96 117.00 114.48 3hm1 n LEU 440 Ca -0.09 1.15 -0.22 0.00 -1.11 0.00 0.00 56.01 55.74 3hm1 n LEU 440 Cb 0.59 -1.04 -0.04 0.00 0.53 0.00 0.00 43.42 43.46 3hm1 n LEU 440 CO 0.37 -2.15 -0.13 -1.10 -1.11 0.00 0.00 177.39 173.27 3hm1 s GLN 441 N -0.66 3.10 0.24 1.96 -1.52 -1.26 -4.99 119.66 116.53 3hm1 s GLN 441 Ca 0.72 -0.95 -0.06 0.00 -1.95 0.00 0.00 55.36 53.13 3hm1 s GLN 441 Cb -0.97 -2.68 0.25 0.00 -0.22 0.00 0.00 33.01 29.40 3hm1 s GLN 441 CO 0.56 0.41 1.85 0.78 -0.25 0.00 0.00 175.29 178.65 3hm1 h GLY 442 N 1.42 1.27 1.52 3.09 0.00 -1.98 0.14 103.07 108.53 3hm1 h GLY 442 Ca -0.50 -0.60 -0.03 0.00 0.00 0.00 0.00 47.33 46.21 3hm1 h GLY 442 CO 0.61 0.57 0.16 0.83 0.00 0.00 0.00 176.54 178.71 3hm1 h GLU 443 N 1.18 0.63 0.04 4.80 3.07 -1.97 -1.45 114.58 120.88 3hm1 h GLU 443 Ca 0.29 -0.09 -0.23 0.00 -0.50 0.00 0.00 59.36 58.84 3hm1 h GLU 443 Cb 0.07 -0.12 -0.01 0.00 -0.84 0.00 0.00 28.75 27.86 3hm1 h GLU 443 CO -0.04 0.53 -1.02 0.93 -1.40 0.00 0.00 179.01 178.01 3hm1 h GLU 444 N 0.62 0.23 -0.04 2.33 5.08 -1.82 -3.21 114.58 117.77 3hm1 h GLU 444 Ca 0.15 -0.30 -0.00 0.00 -1.00 0.00 0.00 59.36 58.21 3hm1 h GLU 444 Cb 0.14 0.10 -0.00 0.00 0.50 0.00 0.00 28.75 29.49 3hm1 h GLU 444 CO -0.01 1.07 0.02 0.35 -1.00 0.00 0.00 179.01 179.43 3hm1 h PHE 445 N 0.10 0.06 0.00 4.33 3.57 -0.09 -1.04 116.94 123.87 3hm1 h PHE 445 Ca -0.07 -0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.41 3hm1 h PHE 445 Cb 1.70 -0.02 -0.00 0.00 2.79 0.00 0.00 35.95 40.42 3hm1 h PHE 445 CO 0.04 0.17 -0.07 -0.39 -2.23 0.00 0.00 178.31 175.83 3hm1 h VAL 446 N -0.06 0.25 0.03 1.41 -1.51 -1.38 -0.40 116.25 114.59 3hm1 h VAL 446 Ca 0.01 -0.53 -0.05 0.00 -1.23 0.00 0.00 66.70 64.91 3hm1 h VAL 446 Cb 0.13 1.41 0.01 0.00 -2.13 0.00 0.00 31.29 30.71 3hm1 h VAL 446 CO -0.00 0.07 -0.21 0.00 -1.23 0.00 0.00 177.57 176.20 3hm1 h LEU 448 N -0.74 0.18 -0.79 0.00 3.38 -0.80 -0.22 115.31 116.32 3hm1 h LEU 448 Ca -0.03 0.08 -0.01 0.00 0.09 0.00 0.00 57.88 58.01 3hm1 h LEU 448 Cb 1.10 0.06 -0.04 0.00 0.09 0.00 0.00 40.66 41.87 3hm1 h LEU 448 CO 0.04 0.12 0.47 0.50 0.09 0.00 0.00 178.44 179.66 3hm1 h LYS 449 N 0.37 1.08 0.00 1.13 3.64 -1.16 -1.04 116.57 120.60 3hm1 h LYS 449 Ca 0.28 -0.10 -0.08 0.00 -1.27 0.00 0.00 60.65 59.48 3hm1 h LYS 449 Cb 0.34 -0.22 -0.01 0.00 -0.41 0.00 0.00 32.23 31.93 3hm1 h LYS 449 CO -0.30 0.77 -0.39 1.03 -2.27 0.00 0.00 179.45 178.30 3hm1 h SER 450 N 1.09 0.00 -0.01 4.20 0.87 -1.06 -2.73 113.55 115.90 3hm1 h SER 450 Ca 0.28 0.00 -0.00 0.00 -1.23 0.00 0.00 61.79 60.84 3hm1 h SER 450 Cb -0.02 0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 61.94 3hm1 h SER 450 CO -0.05 0.39 -0.00 0.40 -0.53 0.00 0.00 176.83 177.03 3hm1 h ILE 451 N 0.00 1.33 -0.96 2.23 2.04 -0.02 -2.47 117.51 119.66 3hm1 h ILE 451 Ca -0.00 -0.97 0.18 0.00 1.00 0.00 0.00 64.86 65.07 3hm1 h ILE 451 Cb 0.76 1.97 -0.10 0.00 -0.74 0.00 0.00 36.82 38.70 3hm1 h ILE 451 CO 0.05 0.25 0.55 0.40 0.00 0.00 0.00 178.15 179.41 3hm1 h ILE 452 N -0.39 0.70 0.78 -0.67 2.04 -1.11 0.48 117.51 119.35 3hm1 h ILE 452 Ca 0.00 -0.24 -0.04 0.00 1.00 0.00 0.00 64.86 65.58 3hm1 h ILE 452 Cb 0.42 -0.07 0.01 0.00 -0.74 0.00 0.00 36.82 36.43 3hm1 h ILE 452 CO 0.00 0.13 -0.37 0.25 0.00 0.00 0.00 178.15 178.16 3hm1 h LEU 453 N 0.71 -0.88 -1.08 1.44 5.85 -1.38 -1.90 115.31 118.07 3hm1 h LEU 453 Ca 0.55 0.03 -0.10 0.00 0.84 0.00 0.00 57.88 59.20 3hm1 h LEU 453 Cb 0.84 0.23 -0.01 0.00 0.37 0.00 0.00 40.66 42.09 3hm1 h LEU 453 CO -0.39 -0.59 -0.45 -0.07 -0.34 0.00 0.00 178.44 176.60 3hm1 h LEU 454 N -1.12 0.02 0.11 2.25 3.38 -1.12 -3.33 115.31 115.49 3hm1 h LEU 454 Ca -0.11 -0.01 -0.21 0.00 0.09 0.00 0.00 57.88 57.65 3hm1 h LEU 454 Cb 0.80 -0.01 0.01 0.00 0.09 0.00 0.00 40.66 41.55 3hm1 h LEU 454 CO 0.18 0.47 -1.01 -1.13 0.09 0.00 0.00 178.44 177.04 3hm1 h ASN 455 N 0.01 0.35 0.18 -0.43 -1.24 -0.08 -3.33 115.58 111.04 3hm1 h ASN 455 Ca -0.00 -0.88 0.00 0.00 0.71 0.00 0.00 56.30 56.12 3hm1 h ASN 455 Cb 0.81 -0.11 0.00 0.00 0.73 0.00 0.00 38.32 39.74 3hm1 h ASN 455 CO 0.06 1.45 0.00 0.77 -1.29 0.00 0.00 177.43 178.42 3hm1 h SER 456 N -0.46 0.00 -0.00 1.15 4.64 -1.45 -2.37 113.55 115.06 3hm1 h SER 456 Ca -0.21 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.11 3hm1 h SER 456 Cb 1.60 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.69 3hm1 h SER 456 CO 0.07 0.00 -0.01 0.61 -0.87 0.00 0.00 176.83 176.63 3hm1 n GLY 457 N -0.97 -0.84 0.20 -0.77 0.00 -1.26 -4.77 105.19 96.78 3hm1 n GLY 457 Ca -0.01 -0.03 0.06 0.00 0.00 0.00 0.00 46.02 46.04 3hm1 n GLY 457 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 3hm1 h VAL 458 N 0.16 0.88 0.00 1.61 3.04 -1.53 -2.98 116.25 117.43 3hm1 h VAL 458 Ca 0.00 -1.30 0.00 0.00 -1.01 0.00 0.00 66.70 64.39 3hm1 h VAL 458 Cb 0.04 1.78 0.00 0.00 -2.01 0.00 0.00 31.29 31.10 3hm1 h VAL 458 CO 0.00 0.32 -0.62 -1.22 -1.01 0.00 0.00 177.57 175.04 3hm1 n TYR 459 N -3.64 0.08 -1.08 3.17 4.01 -1.26 -3.60 117.16 114.84 3hm1 n TYR 459 Ca -0.01 0.02 -0.13 0.00 -0.16 0.00 0.00 57.90 57.63 3hm1 n TYR 459 Cb 0.44 -0.28 0.25 0.00 -0.31 0.00 0.00 39.34 39.45 3hm1 n TYR 459 CO 0.00 0.00 0.00 2.41 -0.46 0.00 0.00 176.86 178.81 3hm1 n THR 460 N -1.61 3.02 -2.58 -0.72 -1.04 -1.13 -4.69 114.28 105.53 3hm1 n THR 460 Ca 0.05 -1.71 -0.43 0.00 -2.04 0.00 0.00 64.05 59.92 3hm1 n THR 460 Cb 0.35 -0.41 0.00 0.00 -1.82 0.00 0.00 70.33 68.46 3hm1 n THR 460 CO 0.00 0.00 0.00 0.49 -0.64 0.00 0.00 175.07 174.92 3hm1 n PHE 461 N -0.52 3.25 -2.69 -1.42 0.99 -1.24 -5.12 117.46 110.72 3hm1 n PHE 461 Ca 0.48 -2.89 -0.37 0.00 -0.00 0.00 0.00 57.45 54.67 3hm1 n PHE 461 Cb 1.50 -1.87 0.00 0.00 -1.00 0.00 0.00 39.48 38.11 3hm1 n PHE 461 CO 0.00 0.00 0.00 -0.11 -0.00 0.00 0.00 176.76 176.65 3hm1 n LEU 462 N 3.70 6.60 0.01 4.37 7.94 -1.26 -5.14 117.00 133.22 3hm1 n LEU 462 Ca 0.36 -5.45 0.00 0.00 -1.11 0.00 0.00 56.01 49.82 3hm1 n LEU 462 Cb 0.37 -1.00 0.00 0.00 0.53 0.00 0.00 43.42 43.32 3hm1 n LEU 462 CO 0.76 2.12 0.00 0.29 -1.11 0.00 0.00 177.39 179.45 3hm1 n LYS 472 N -0.13 0.00 0.14 1.96 4.01 -1.26 -5.28 118.16 117.60 3hm1 n LYS 472 Ca 0.43 0.00 0.12 0.00 -0.51 0.00 0.00 58.31 58.35 3hm1 n LYS 472 Cb 0.30 0.00 0.08 0.00 -0.51 0.00 0.00 35.03 34.90 3hm1 n LYS 472 CO 0.00 0.00 0.00 -0.44 -1.11 0.00 0.00 177.40 175.85 3hm1 h ASP 473 N 0.00 0.00 0.63 4.39 3.32 -2.01 -3.28 116.42 119.46 3hm1 h ASP 473 Ca 0.00 -0.01 -0.08 0.00 0.02 0.00 0.00 57.03 56.96 3hm1 h ASP 473 Cb 0.00 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.54 3hm1 h ASP 473 CO 0.00 0.01 -0.38 -0.74 -1.72 0.00 0.00 179.24 176.40 3hm1 h HIS 474 N 0.00 0.00 0.03 4.55 -0.00 -2.02 0.26 115.15 117.97 3hm1 h HIS 474 Ca 0.00 0.00 -0.25 0.00 -0.00 0.00 0.00 60.37 60.12 3hm1 h HIS 474 Cb 0.98 0.00 0.01 0.00 -0.00 0.00 0.00 27.41 28.40 3hm1 h HIS 474 CO 0.00 0.38 -1.04 0.82 -0.00 0.00 0.00 177.93 178.09 3hm1 h ILE 475 N 0.00 1.37 -0.08 6.26 2.04 -1.95 -2.64 117.51 122.50 3hm1 h ILE 475 Ca -0.00 -2.47 -0.14 0.00 1.00 0.00 0.00 64.86 63.24 3hm1 h ILE 475 Cb 0.80 2.51 -0.01 0.00 -0.74 0.00 0.00 36.82 39.37 3hm1 h ILE 475 CO 0.05 0.74 -0.58 0.45 0.00 0.00 0.00 178.15 178.81 3hm1 h HIS 476 N 0.26 0.34 -0.25 1.37 3.86 -1.57 -1.43 115.15 117.72 3hm1 h HIS 476 Ca -0.11 -0.13 0.02 0.00 -1.16 0.00 0.00 60.37 58.99 3hm1 h HIS 476 Cb 1.70 -0.06 -0.02 0.00 1.06 0.00 0.00 27.41 30.08 3hm1 h HIS 476 CO 0.08 0.79 0.11 0.00 0.86 0.00 0.00 177.93 179.77 3hm1 h ARG 477 N 0.20 0.24 -0.41 2.45 2.47 -0.50 -1.21 114.38 117.61 3hm1 h ARG 477 Ca -0.00 -0.01 -0.14 0.00 -1.26 0.00 0.00 59.98 58.56 3hm1 h ARG 477 Cb 1.08 -0.05 -0.01 0.00 -1.65 0.00 0.00 29.97 29.34 3hm1 h ARG 477 CO 0.09 0.16 -0.31 -0.24 0.56 0.00 0.00 179.97 180.23 3hm1 h VAL 478 N 0.24 1.27 -0.66 2.04 3.04 -1.40 -1.98 116.25 118.81 3hm1 h VAL 478 Ca 0.11 -1.47 0.08 0.00 -1.01 0.00 0.00 66.70 64.40 3hm1 h VAL 478 Cb 0.05 1.28 -0.06 0.00 -2.01 0.00 0.00 31.29 30.54 3hm1 h VAL 478 CO -0.09 0.50 0.33 -0.07 -1.01 0.00 0.00 177.57 177.23 3hm1 h LEU 479 N 0.77 0.45 -0.81 3.16 3.38 -1.16 -1.33 115.31 119.76 3hm1 h LEU 479 Ca 0.08 0.05 0.02 0.00 0.09 0.00 0.00 57.88 58.12 3hm1 h LEU 479 Cb 0.88 -0.03 -0.04 0.00 0.09 0.00 0.00 40.66 41.56 3hm1 h LEU 479 CO 0.08 0.27 0.53 0.44 0.09 0.00 0.00 178.44 179.85 3hm1 h ASP 480 N 0.59 0.89 0.55 -0.43 3.45 -0.96 -1.35 116.42 119.17 3hm1 h ASP 480 Ca 0.32 -0.01 -0.02 0.00 0.43 0.00 0.00 57.03 57.74 3hm1 h ASP 480 Cb 0.29 -0.21 -0.00 0.00 -0.56 0.00 0.00 39.33 38.85 3hm1 h ASP 480 CO -0.24 0.63 -0.09 0.50 -1.57 0.00 0.00 179.24 178.48 3hm1 h LYS 481 N 1.05 0.00 0.14 3.56 1.63 -0.53 0.39 116.57 122.81 3hm1 h LYS 481 Ca 0.31 0.00 -0.29 0.00 -0.85 0.00 0.00 60.65 59.82 3hm1 h LYS 481 Cb -0.06 0.00 0.01 0.00 -0.60 0.00 0.00 32.23 31.58 3hm1 h LYS 481 CO -0.09 0.09 -1.36 0.82 -3.45 0.00 0.00 179.45 175.45 3hm1 h ILE 482 N 0.00 1.36 -0.11 2.00 1.08 -0.66 -2.47 117.51 118.71 3hm1 h ILE 482 Ca -0.00 -2.93 0.02 0.00 -0.39 0.00 0.00 64.86 61.55 3hm1 h ILE 482 Cb 0.38 2.90 -0.02 0.00 -3.07 0.00 0.00 36.82 37.02 3hm1 h ILE 482 CO 0.01 0.86 -0.00 0.74 -0.69 0.00 0.00 178.15 179.07 3hm1 h THR 483 N 0.08 0.92 -0.97 -0.27 2.02 -0.46 -0.46 112.91 113.77 3hm1 h THR 483 Ca -0.18 -0.01 0.16 0.00 0.77 0.00 0.00 66.41 67.14 3hm1 h THR 483 Cb 2.01 0.89 -0.09 0.00 -1.74 0.00 0.00 68.15 69.22 3hm1 h THR 483 CO 0.20 0.01 0.61 0.44 0.37 0.00 0.00 175.52 177.15 3hm1 h ASP 484 N 0.03 0.75 -0.28 4.18 3.32 -0.99 -1.81 116.42 121.63 3hm1 h ASP 484 Ca 0.05 0.06 -0.16 0.00 0.02 0.00 0.00 57.03 57.00 3hm1 h ASP 484 Cb 0.06 -0.08 -0.01 0.00 0.22 0.00 0.00 39.33 39.52 3hm1 h ASP 484 CO -0.09 0.34 -0.44 0.74 -1.72 0.00 0.00 179.24 178.07 3hm1 h THR 485 N 0.78 1.28 0.02 0.35 2.02 -0.90 -2.09 112.91 114.36 3hm1 h THR 485 Ca 0.51 -1.62 -0.00 0.00 0.77 0.00 0.00 66.41 66.07 3hm1 h THR 485 Cb 0.76 1.49 0.00 0.00 -1.74 0.00 0.00 68.15 68.66 3hm1 h THR 485 CO -0.28 0.53 -0.01 0.25 0.37 0.00 0.00 175.52 176.38 3hm1 h LEU 486 N 0.68 -0.02 -0.31 2.58 5.85 -0.44 -1.49 115.31 122.15 3hm1 h LEU 486 Ca 0.04 -0.18 0.04 0.00 0.84 0.00 0.00 57.88 58.63 3hm1 h LEU 486 Cb 1.02 0.01 -0.04 0.00 0.37 0.00 0.00 40.66 42.02 3hm1 h LEU 486 CO 0.10 0.16 0.06 0.40 -0.34 0.00 0.00 178.44 178.83 3hm1 h ILE 487 N -0.21 0.85 -0.49 4.05 1.08 -1.41 -1.77 117.51 119.62 3hm1 h ILE 487 Ca -0.00 -0.06 0.09 0.00 -0.39 0.00 0.00 64.86 64.50 3hm1 h ILE 487 Cb 0.20 0.66 -0.08 0.00 -3.07 0.00 0.00 36.82 34.53 3hm1 h ILE 487 CO 0.00 0.03 0.01 -0.74 -0.69 0.00 0.00 178.15 176.77 3hm1 h HIS 488 N 0.18 -0.01 -0.93 1.37 2.76 -1.18 0.13 115.15 117.46 3hm1 h HIS 488 Ca 0.15 0.04 0.04 0.00 -2.20 0.00 0.00 60.37 58.40 3hm1 h HIS 488 Cb 0.16 0.08 -0.06 0.00 1.55 0.00 0.00 27.41 29.14 3hm1 h HIS 488 CO -0.17 -0.10 0.60 -0.07 -1.30 0.00 0.00 177.93 176.89 3hm1 h LEU 489 N 0.12 0.99 -0.29 0.26 4.07 -0.95 0.20 115.31 119.72 3hm1 h LEU 489 Ca 0.25 -0.00 -0.09 0.00 0.08 0.00 0.00 57.88 58.11 3hm1 h LEU 489 Cb 0.37 -0.21 -0.01 0.00 1.08 0.00 0.00 40.66 41.89 3hm1 h LEU 489 CO -0.40 0.66 -0.18 0.24 -1.08 0.00 0.00 178.44 177.68 3hm1 h MET 490 N 1.14 0.63 -0.76 1.13 2.86 -0.29 -1.09 114.93 118.55 3hm1 h MET 490 Ca 0.38 -0.30 -0.03 0.00 -2.06 0.00 0.00 59.70 57.70 3hm1 h MET 490 Cb 0.06 -0.01 -0.03 0.00 0.06 0.00 0.00 31.60 31.67 3hm1 h MET 490 CO -0.14 0.89 0.37 0.00 1.06 0.00 0.00 176.91 179.09 3hm1 h ALA 491 N 0.73 0.98 -0.74 6.32 0.00 -0.55 -1.43 119.26 124.56 3hm1 h ALA 491 Ca 0.06 -0.15 -0.01 0.00 0.00 0.00 0.00 54.91 54.81 3hm1 h ALA 491 Cb 0.72 -0.30 -0.04 0.00 0.00 0.00 0.00 17.79 18.17 3hm1 h ALA 491 CO 0.05 0.54 0.40 -0.22 0.00 0.00 0.00 179.25 180.02 3hm1 h LYS 492 N 1.07 1.03 0.00 0.00 3.64 -0.86 -0.08 116.57 121.38 3hm1 h LYS 492 Ca 0.26 -0.11 0.00 0.00 -1.27 0.00 0.00 60.65 59.53 3hm1 h LYS 492 Cb 0.11 -0.21 0.00 0.00 -0.41 0.00 0.00 32.23 31.73 3hm1 h LYS 492 CO -0.03 0.76 0.00 0.00 -2.27 0.00 0.00 179.45 177.90 3hm1 n ALA 493 N -2.43 2.39 -1.69 5.00 0.00 -0.42 -4.87 120.51 118.49 3hm1 n ALA 493 Ca 0.08 -0.07 -0.04 0.00 0.00 0.00 0.00 53.44 53.41 3hm1 n ALA 493 Cb 0.10 -1.17 -0.01 0.00 0.00 0.00 0.00 19.45 18.37 3hm1 n ALA 493 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3hm1 n GLY 494 N 0.46 0.39 3.76 0.00 0.00 -0.04 -5.03 105.19 104.73 3hm1 n GLY 494 Ca 0.08 -0.81 -0.39 0.00 0.00 0.00 0.00 46.02 44.90 3hm1 n GLY 494 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3hm1 s LEU 495 N -0.94 4.47 0.73 0.99 1.43 -0.59 -5.01 118.68 119.77 3hm1 s LEU 495 Ca 0.00 2.04 -0.14 0.00 -1.03 0.00 0.00 54.13 55.00 3hm1 s LEU 495 Cb 0.00 -3.79 0.04 0.00 0.03 0.00 0.00 46.19 42.47 3hm1 s LEU 495 CO 0.00 -0.09 1.16 0.42 0.23 0.00 0.00 176.35 178.07 3hm1 s THR 496 N -1.34 2.64 0.25 5.49 -4.23 -1.26 -4.54 115.64 112.64 3hm1 s THR 496 Ca 0.47 0.29 -0.10 0.00 -1.18 0.00 0.00 61.69 61.16 3hm1 s THR 496 Cb -0.26 -2.77 0.35 0.00 1.34 0.00 0.00 72.50 71.17 3hm1 s THR 496 CO 0.33 -0.20 1.59 0.25 -0.54 0.00 0.00 174.62 176.05 3hm1 h LEU 497 N -0.46 -0.74 -0.01 4.79 6.46 -1.99 0.18 115.31 123.54 3hm1 h LEU 497 Ca -0.46 0.25 -0.07 0.00 -0.12 0.00 0.00 57.88 57.47 3hm1 h LEU 497 Cb 1.27 0.50 -0.01 0.00 -0.73 0.00 0.00 40.66 41.69 3hm1 h LEU 497 CO 0.50 -0.27 -0.35 0.06 -0.62 0.00 0.00 178.44 177.76 3hm1 h GLN 498 N 0.01 0.00 -0.23 1.25 3.07 -2.00 -2.50 115.11 114.71 3hm1 h GLN 498 Ca 0.40 0.00 -0.08 0.00 0.09 0.00 0.00 58.65 59.07 3hm1 h GLN 498 Cb 0.63 0.00 -0.01 0.00 0.08 0.00 0.00 27.48 28.18 3hm1 h GLN 498 CO -0.84 0.35 -0.19 1.96 0.09 0.00 0.00 178.83 180.20 3hm1 h GLN 499 N 0.00 0.40 -0.04 0.06 4.20 -1.28 -1.75 115.11 116.70 3hm1 h GLN 499 Ca -0.00 -0.12 -0.00 0.00 0.06 0.00 0.00 58.65 58.58 3hm1 h GLN 499 Cb 1.26 -0.04 -0.00 0.00 0.30 0.00 0.00 27.48 29.00 3hm1 h GLN 499 CO 0.05 0.58 0.02 1.96 -0.67 0.00 0.00 178.83 180.76 3hm1 h GLN 500 N 0.36 0.05 -0.03 1.46 4.20 -0.30 -1.43 115.11 119.43 3hm1 h GLN 500 Ca 0.06 -0.01 -0.16 0.00 0.06 0.00 0.00 58.65 58.60 3hm1 h GLN 500 Cb 0.54 -0.01 -0.01 0.00 0.30 0.00 0.00 27.48 28.30 3hm1 h GLN 500 CO 0.04 0.14 -0.72 1.12 -0.67 0.00 0.00 178.83 178.73 3hm1 h HIS 501 N -0.05 0.23 -0.24 2.96 2.07 -1.39 -1.42 115.15 117.30 3hm1 h HIS 501 Ca 0.01 -0.10 -0.00 0.00 -2.85 0.00 0.00 60.37 57.43 3hm1 h HIS 501 Cb 0.10 -0.03 -0.01 0.00 2.57 0.00 0.00 27.41 30.04 3hm1 h HIS 501 CO -0.04 0.83 0.15 1.96 -3.07 0.00 0.00 177.93 177.76 3hm1 h GLN 502 N 0.11 0.33 -0.46 5.12 4.20 -1.32 -2.53 115.11 120.55 3hm1 h GLN 502 Ca -0.02 -0.03 -0.13 0.00 0.06 0.00 0.00 58.65 58.54 3hm1 h GLN 502 Cb 1.28 -0.07 -0.01 0.00 0.30 0.00 0.00 27.48 28.97 3hm1 h GLN 502 CO 0.11 0.25 -0.21 -0.09 -0.67 0.00 0.00 178.83 178.21 3hm1 h ARG 503 N 0.31 0.94 -0.73 1.46 2.43 -1.09 -0.78 114.38 116.93 3hm1 h ARG 503 Ca 0.09 -0.39 0.05 0.00 -0.81 0.00 0.00 59.98 58.92 3hm1 h ARG 503 Cb -0.00 -0.04 -0.05 0.00 -0.42 0.00 0.00 29.97 29.46 3hm1 h ARG 503 CO -0.02 1.05 0.43 1.25 -1.51 0.00 0.00 179.97 181.18 3hm1 h LEU 504 N 0.81 0.68 -0.36 3.80 5.85 -1.27 -1.41 115.31 123.41 3hm1 h LEU 504 Ca 0.11 0.02 -0.07 0.00 0.84 0.00 0.00 57.88 58.77 3hm1 h LEU 504 Cb 0.77 -0.12 -0.01 0.00 0.37 0.00 0.00 40.66 41.67 3hm1 h LEU 504 CO 0.06 0.44 -0.05 0.00 -0.34 0.00 0.00 178.44 178.55 3hm1 h ALA 505 N 1.35 0.49 -0.78 1.25 0.00 -1.05 -1.46 119.26 119.05 3hm1 h ALA 505 Ca 0.31 -0.28 0.03 0.00 0.00 0.00 0.00 54.91 54.97 3hm1 h ALA 505 Cb 0.13 -0.13 -0.04 0.00 0.00 0.00 0.00 17.79 17.75 3hm1 h ALA 505 CO -0.16 0.31 0.52 1.96 0.00 0.00 0.00 179.25 181.88 3hm1 h GLN 506 N 0.47 0.95 -0.14 0.00 4.20 -0.86 0.04 115.11 119.78 3hm1 h GLN 506 Ca 0.09 -0.06 -0.14 0.00 0.06 0.00 0.00 58.65 58.61 3hm1 h GLN 506 Cb 0.55 -0.21 0.00 0.00 0.30 0.00 0.00 27.48 28.12 3hm1 h GLN 506 CO 0.03 0.63 -0.46 -0.07 -0.67 0.00 0.00 178.83 178.29 3hm1 h LEU 507 N 0.98 0.65 -1.10 1.46 3.38 -1.13 -3.11 115.31 116.43 3hm1 h LEU 507 Ca 0.31 -0.60 -0.08 0.00 0.09 0.00 0.00 57.88 57.59 3hm1 h LEU 507 Cb 0.01 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.56 3hm1 h LEU 507 CO -0.09 1.14 -0.40 -0.07 0.09 0.00 0.00 178.44 179.11 3hm1 h LEU 508 N 0.19 0.00 -0.71 1.67 4.07 -1.02 -2.86 115.31 116.65 3hm1 h LEU 508 Ca -0.02 0.00 -0.13 0.00 0.08 0.00 0.00 57.88 57.81 3hm1 h LEU 508 Cb 1.08 0.00 -0.02 0.00 1.08 0.00 0.00 40.66 42.80 3hm1 h LEU 508 CO 0.10 0.40 -0.61 -0.07 -1.08 0.00 0.00 178.44 177.18 3hm1 h LEU 509 N 0.00 0.00 -1.55 1.67 4.07 -1.01 -2.86 115.31 115.63 3hm1 h LEU 509 Ca -0.00 0.00 -0.05 0.00 0.08 0.00 0.00 57.88 57.91 3hm1 h LEU 509 Cb 0.81 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 42.54 3hm1 h LEU 509 CO 0.05 0.61 -0.23 0.40 -1.08 0.00 0.00 178.44 178.19 3hm1 h ILE 510 N 0.00 0.90 0.00 1.22 2.04 -1.43 -2.72 117.51 117.52 3hm1 h ILE 510 Ca -0.01 -0.89 -0.04 0.00 1.00 0.00 0.00 64.86 64.93 3hm1 h ILE 510 Cb 1.13 1.52 -0.01 0.00 -0.74 0.00 0.00 36.82 38.72 3hm1 h ILE 510 CO 0.08 0.23 -0.21 -0.07 0.00 0.00 0.00 178.15 178.18 3hm1 h LEU 511 N 0.00 0.00 -0.73 1.44 3.38 -1.54 -1.20 115.31 116.67 3hm1 h LEU 511 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3hm1 h LEU 511 Cb 0.50 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.21 3hm1 h LEU 511 CO 0.03 0.21 0.46 -1.28 0.09 0.00 0.00 178.44 177.95 3hm1 h SER 512 N 0.00 0.85 0.29 -0.43 0.87 -1.59 -1.06 113.55 112.48 3hm1 h SER 512 Ca -0.00 -0.04 -0.22 0.00 -1.23 0.00 0.00 61.79 60.30 3hm1 h SER 512 Cb 0.38 -0.21 0.00 0.00 -0.44 0.00 0.00 62.40 62.13 3hm1 h SER 512 CO 0.03 0.64 -0.89 -0.74 -0.53 0.00 0.00 176.83 175.34 3hm1 h HIS 513 N 0.99 0.62 -0.71 2.24 -0.00 -1.37 -1.51 115.15 115.41 3hm1 h HIS 513 Ca 0.26 -0.32 -0.02 0.00 -0.00 0.00 0.00 60.37 60.30 3hm1 h HIS 513 Cb -0.08 -0.08 -0.03 0.00 -0.00 0.00 0.00 27.41 27.22 3hm1 h HIS 513 CO -0.02 1.13 0.37 0.82 -0.00 0.00 0.00 177.93 180.23 3hm1 h ILE 514 N 0.26 1.21 -0.54 6.26 2.04 -1.21 0.62 117.51 126.16 3hm1 h ILE 514 Ca -0.07 -0.55 -0.05 0.00 1.00 0.00 0.00 64.86 65.19 3hm1 h ILE 514 Cb 1.51 0.28 -0.02 0.00 -0.74 0.00 0.00 36.82 37.84 3hm1 h ILE 514 CO 0.15 0.24 0.16 -0.09 0.00 0.00 0.00 178.15 178.62 3hm1 h ARG 515 N 0.99 0.85 -0.01 2.37 9.65 -0.94 -1.18 114.38 126.10 3hm1 h ARG 515 Ca 0.25 -0.19 0.01 0.00 -1.10 0.00 0.00 59.98 58.95 3hm1 h ARG 515 Cb 0.05 -0.12 -0.02 0.00 -1.39 0.00 0.00 29.97 28.49 3hm1 h ARG 515 CO -0.04 0.78 -0.06 1.25 2.80 0.00 0.00 179.97 184.70 3hm1 h HIS 516 N 0.75 -0.15 -0.68 2.20 2.76 -0.59 -2.14 115.15 117.30 3hm1 h HIS 516 Ca 0.17 0.01 0.07 0.00 -2.20 0.00 0.00 60.37 58.42 3hm1 h HIS 516 Cb 0.30 0.07 -0.06 0.00 1.55 0.00 0.00 27.41 29.27 3hm1 h HIS 516 CO 0.02 -0.10 0.36 0.52 -1.30 0.00 0.00 177.93 177.43 3hm1 h MET 517 N -0.10 0.63 -0.62 5.26 2.86 -0.72 -1.72 114.93 120.52 3hm1 h MET 517 Ca 0.03 -0.04 0.07 0.00 -2.06 0.00 0.00 59.70 57.70 3hm1 h MET 517 Cb 0.14 -0.14 -0.06 0.00 0.06 0.00 0.00 31.60 31.60 3hm1 h MET 517 CO -0.07 0.42 0.29 1.03 1.06 0.00 0.00 176.91 179.64 3hm1 h SER 518 N 0.65 0.39 -0.55 1.22 0.87 -1.00 0.37 113.55 115.50 3hm1 h SER 518 Ca 0.31 0.05 -0.08 0.00 -1.23 0.00 0.00 61.79 60.84 3hm1 h SER 518 Cb 0.25 -0.01 -0.02 0.00 -0.44 0.00 0.00 62.40 62.17 3hm1 h SER 518 CO -0.21 0.24 0.04 0.78 -0.53 0.00 0.00 176.83 177.15 3hm1 h ASN 519 N 0.53 0.94 -0.32 6.23 -0.26 -0.69 0.26 115.58 122.29 3hm1 h ASN 519 Ca 0.29 -0.24 -0.09 0.00 -0.56 0.00 0.00 56.30 55.71 3hm1 h ASN 519 Cb 0.27 -0.25 -0.01 0.00 -1.06 0.00 0.00 38.32 37.27 3hm1 h ASN 519 CO -0.23 0.98 -0.15 0.11 -1.06 0.00 0.00 177.43 177.08 3hm1 h LYS 520 N 0.91 0.66 -0.61 0.81 1.79 -0.88 -2.46 116.57 116.79 3hm1 h LYS 520 Ca 0.17 -0.28 -0.04 0.00 -2.18 0.00 0.00 60.65 58.32 3hm1 h LYS 520 Cb 0.47 -0.02 -0.03 0.00 -1.58 0.00 0.00 32.23 31.07 3hm1 h LYS 520 CO 0.02 0.87 0.23 0.78 -1.08 0.00 0.00 179.45 180.27 3hm1 h GLY 521 N 0.42 0.96 1.18 3.86 0.00 -0.02 -1.22 103.07 108.24 3hm1 h GLY 521 Ca 0.07 -0.50 -0.09 0.00 0.00 0.00 0.00 47.33 46.81 3hm1 h GLY 521 CO 0.04 0.47 -0.01 -0.33 0.00 0.00 0.00 176.54 176.72 3hm1 h MET 522 N 0.88 0.98 0.00 4.80 2.86 -0.43 -2.09 114.93 121.93 3hm1 h MET 522 Ca 0.20 -0.30 -0.13 0.00 -2.06 0.00 0.00 59.70 57.42 3hm1 h MET 522 Cb 0.19 -0.10 -0.02 0.00 0.06 0.00 0.00 31.60 31.74 3hm1 h MET 522 CO -0.02 0.97 -0.60 1.49 1.06 0.00 0.00 176.91 179.81 3hm1 h GLU 523 N 0.90 0.00 -0.18 1.72 4.57 -0.92 -2.08 114.58 118.59 3hm1 h GLU 523 Ca 0.16 0.00 -0.18 0.00 -1.18 0.00 0.00 59.36 58.16 3hm1 h GLU 523 Cb 0.53 0.00 0.01 0.00 -0.16 0.00 0.00 28.75 29.13 3hm1 h GLU 523 CO 0.03 0.60 -0.59 1.25 -1.18 0.00 0.00 179.01 179.12 3hm1 h HIS 524 N 0.00 0.94 -0.71 0.92 2.76 -1.10 -2.25 115.15 115.71 3hm1 h HIS 524 Ca -0.01 -0.38 -0.06 0.00 -2.20 0.00 0.00 60.37 57.72 3hm1 h HIS 524 Cb 1.10 -0.16 -0.03 0.00 1.55 0.00 0.00 27.41 29.87 3hm1 h HIS 524 CO 0.00 1.19 0.22 1.25 -1.30 0.00 0.00 177.93 179.29 3hm1 h LEU 525 N 0.42 1.04 -1.04 0.26 5.85 -1.31 -0.97 115.31 119.57 3hm1 h LEU 525 Ca -0.02 -0.21 -0.01 0.00 0.84 0.00 0.00 57.88 58.48 3hm1 h LEU 525 Cb 1.21 -0.27 -0.04 0.00 0.37 0.00 0.00 40.66 41.93 3hm1 h LEU 525 CO 0.12 0.97 0.47 0.22 -0.34 0.00 0.00 178.44 179.89 3hm1 h TYR 526 N 1.05 1.11 -0.09 1.25 5.03 -1.37 -1.37 116.97 122.59 3hm1 h TYR 526 Ca 0.23 -0.02 -0.01 0.00 2.58 0.00 0.00 58.73 61.52 3hm1 h TYR 526 Cb 0.31 -0.36 -0.00 0.00 1.55 0.00 0.00 36.73 38.22 3hm1 h TYR 526 CO 0.02 0.76 0.03 1.03 -1.32 0.00 0.00 178.16 178.68 3hm1 h SER 527 N 1.15 0.13 -0.62 -2.11 0.87 -0.80 -2.86 113.55 109.29 3hm1 h SER 527 Ca 0.29 -0.19 0.09 0.00 -1.23 0.00 0.00 61.79 60.76 3hm1 h SER 527 Cb -0.00 -0.03 -0.07 0.00 -0.44 0.00 0.00 62.40 61.86 3hm1 h SER 527 CO -0.05 0.28 0.25 0.24 -0.53 0.00 0.00 176.83 177.02 3hm1 h MET 528 N -0.04 0.43 -1.44 2.24 2.86 -0.89 -2.26 114.93 115.84 3hm1 h MET 528 Ca 0.03 -0.03 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 3hm1 h MET 528 Cb 0.20 -0.10 0.00 0.00 0.06 0.00 0.00 31.60 31.76 3hm1 h MET 528 CO -0.00 0.29 0.00 1.17 1.06 0.00 0.00 176.91 179.42 3hm1 n LYS 529 N -4.97 0.00 0.00 1.72 4.81 -0.54 -2.27 118.16 116.91 3hm1 n LYS 529 Ca 0.09 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.53 3hm1 n LYS 529 Cb 0.27 -1.34 0.00 0.00 0.02 0.00 0.00 35.03 33.98 3hm1 n LYS 529 CO 0.00 0.00 0.00 1.63 1.17 0.00 0.00 177.40 180.20 3hm1 n LYS 531 N 0.85 0.00 -4.13 1.64 5.02 -0.85 -4.60 118.16 116.09 3hm1 n LYS 531 Ca 0.00 0.00 -0.33 0.00 -2.02 0.00 0.00 58.31 55.96 3hm1 n LYS 531 Cb 0.00 0.00 -0.02 0.00 -0.02 0.00 0.00 35.03 34.99 3hm1 n LYS 531 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 3hm1 n ASN 532 N 0.00 -2.90 0.12 4.39 5.03 -1.06 -4.85 115.26 115.99 3hm1 n ASN 532 Ca 0.00 -0.98 0.03 0.00 0.87 0.00 0.00 54.58 54.51 3hm1 n ASN 532 Cb 0.00 -2.98 0.01 0.00 -1.02 0.00 0.00 39.78 35.79 3hm1 n ASN 532 CO 0.00 0.00 0.00 -0.37 -1.83 0.00 0.00 177.26 175.06 3hm1 h VAL 533 N -1.66 0.63 -2.22 2.41 -1.51 -1.71 -3.47 116.25 108.73 3hm1 h VAL 533 Ca -0.60 -1.96 -0.07 0.00 -1.23 0.00 0.00 66.70 62.84 3hm1 h VAL 533 Cb 1.38 2.22 -0.21 0.00 -2.13 0.00 0.00 31.29 32.56 3hm1 h VAL 533 CO 0.73 0.36 0.05 0.54 -1.23 0.00 0.00 177.57 178.03 3hm1 s VAL 534 N -3.00 0.01 0.67 7.19 0.11 -1.26 -4.55 120.40 119.56 3hm1 s VAL 534 Ca 0.02 -0.05 -0.12 0.00 -2.93 0.00 0.00 61.98 58.91 3hm1 s VAL 534 Cb 0.08 -0.89 -0.01 0.00 -1.53 0.00 0.00 36.38 34.03 3hm1 s VAL 534 CO 0.76 -0.03 1.05 -2.84 -3.33 0.00 0.00 175.10 170.72 3hm1 s PRO 535 N -0.36 3.09 -0.07 1.54 0.02 -1.26 -4.74 135.00 133.22 3hm1 s PRO 535 Ca -0.05 0.98 0.01 0.00 0.02 0.00 0.00 61.00 61.96 3hm1 s PRO 535 Cb -0.03 -2.01 0.02 0.00 0.02 0.00 0.00 34.50 32.50 3hm1 s PRO 535 CO 0.04 -0.98 -0.08 -0.51 -0.33 0.00 0.00 177.00 175.14 3hm1 s LEU 536 N -5.30 1.40 0.39 -5.54 1.43 -1.26 -5.00 118.68 104.80 3hm1 s LEU 536 Ca 0.59 -0.24 -0.24 0.00 -1.03 0.00 0.00 54.13 53.21 3hm1 s LEU 536 Cb -0.14 -0.70 -0.12 0.00 0.03 0.00 0.00 46.19 45.26 3hm1 s LEU 536 CO 0.51 -0.04 0.81 -1.54 0.23 0.00 0.00 176.35 176.32 3hm1 n SER 537 N 4.19 0.30 0.26 2.29 3.41 -1.26 -4.62 113.62 118.19 3hm1 n SER 537 Ca -0.20 1.01 0.18 0.00 -0.26 0.00 0.00 58.87 59.60 3hm1 n SER 537 Cb 0.51 -1.23 0.91 0.00 -0.26 0.00 0.00 64.21 64.14 3hm1 n SER 537 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 175.04 175.32 3hm1 h ASP 538 N 1.29 0.00 0.48 4.04 3.32 -1.99 -0.57 116.42 122.98 3hm1 h ASP 538 Ca -0.41 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 56.62 3hm1 h ASP 538 Cb 1.37 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.92 3hm1 h ASP 538 CO 0.55 0.00 -0.23 0.25 -1.72 0.00 0.00 179.24 178.09 3hm1 h LEU 539 N 0.00 -0.54 -0.92 1.55 5.85 -2.00 -2.58 115.31 116.67 3hm1 h LEU 539 Ca 0.05 -0.08 0.15 0.00 0.84 0.00 0.00 57.88 58.84 3hm1 h LEU 539 Cb 0.38 0.14 -0.10 0.00 0.37 0.00 0.00 40.66 41.46 3hm1 h LEU 539 CO -0.00 -0.17 0.52 -0.07 -0.34 0.00 0.00 178.44 178.38 3hm1 h LEU 540 N -0.98 0.68 -1.64 2.25 3.38 -1.56 -0.85 115.31 116.59 3hm1 h LEU 540 Ca -0.07 0.08 -0.00 0.00 0.09 0.00 0.00 57.88 57.99 3hm1 h LEU 540 Cb 0.59 -0.03 -0.02 0.00 0.09 0.00 0.00 40.66 41.29 3hm1 h LEU 540 CO 0.11 0.29 0.20 0.25 0.09 0.00 0.00 178.44 179.38 3hm1 h LEU 541 N 0.73 0.39 -0.06 1.67 5.85 -1.12 -1.14 115.31 121.64 3hm1 h LEU 541 Ca 0.50 -0.02 -0.20 0.00 0.84 0.00 0.00 57.88 59.00 3hm1 h LEU 541 Cb 0.69 -0.10 -0.03 0.00 0.37 0.00 0.00 40.66 41.59 3hm1 h LEU 541 CO -0.35 0.30 -0.97 1.05 -0.34 0.00 0.00 178.44 178.13 3hm1 h GLU 542 N 0.45 0.00 -0.08 1.25 -0.00 -0.76 -2.08 114.58 113.36 3hm1 h GLU 542 Ca 0.12 0.00 -0.01 0.00 -0.00 0.00 0.00 59.36 59.47 3hm1 h GLU 542 Cb -0.02 0.00 -0.00 0.00 -0.00 0.00 0.00 28.75 28.73 3hm1 h GLU 542 CO -0.02 0.97 0.02 0.52 -0.00 0.00 0.00 179.01 180.49 3hm1 h MET 543 N 0.00 0.13 -0.30 1.06 2.86 -0.72 -2.56 114.93 115.41 3hm1 h MET 543 Ca -0.01 -0.03 0.03 0.00 -2.06 0.00 0.00 59.70 57.63 3hm1 h MET 543 Cb 1.72 -0.02 -0.03 0.00 0.06 0.00 0.00 31.60 33.33 3hm1 h MET 543 CO 0.13 0.32 0.11 1.25 1.06 0.00 0.00 176.91 179.77 3hm1 h LEU 544 N -0.09 0.12 -1.79 1.22 7.12 -1.25 -2.80 115.31 117.84 3hm1 h LEU 544 Ca 0.02 0.03 0.06 0.00 0.13 0.00 0.00 57.88 58.12 3hm1 h LEU 544 Cb 0.25 0.01 -0.02 0.00 -0.53 0.00 0.00 40.66 40.37 3hm1 h LEU 544 CO 0.00 0.11 0.26 0.44 -0.13 0.00 0.00 178.44 179.12 3hm1 h ASP 545 N 0.24 0.23 -0.75 1.25 3.45 -1.32 0.65 116.42 120.17 3hm1 h ASP 545 Ca 0.13 0.00 0.05 0.00 0.43 0.00 0.00 57.03 57.65 3hm1 h ASP 545 Cb 0.09 -0.05 -0.06 0.00 -0.56 0.00 0.00 39.33 38.76 3hm1 h ASP 545 CO -0.13 0.15 0.45 0.00 -1.57 0.00 0.00 179.24 178.14 3hm1 h ALA 546 N 1.80 1.02 -2.45 3.45 0.00 -1.18 -3.40 119.26 118.50 3hm1 h ALA 546 Ca 0.17 -0.00 -0.49 0.00 0.00 0.00 0.00 54.91 54.58 3hm1 h ALA 546 Cb 0.34 -0.19 0.08 0.00 0.00 0.00 0.00 17.79 18.02 3hm1 h ALA 546 CO -0.03 0.17 0.40 -1.01 0.00 0.00 0.00 179.25 178.78 3hm1 s HIS 547 N -6.09 3.27 -0.04 0.00 3.76 0.22 -5.10 115.29 111.32 3hm1 s HIS 547 Ca -0.13 1.09 -0.01 0.00 -0.15 0.00 0.00 55.06 55.87 3hm1 s HIS 547 Cb 0.17 -3.05 0.03 0.00 1.11 0.00 0.00 32.58 30.84 3hm1 s HIS 547 CO 0.77 -1.23 0.03 1.03 -0.85 0.00 0.00 174.74 174.49 3hm1 s ARG 548 N -5.31 0.08 0.37 1.40 3.00 -1.26 -4.89 118.95 112.34 3hm1 s ARG 548 Ca 0.58 0.24 0.05 0.00 0.00 0.00 0.00 55.73 56.60 3hm1 s ARG 548 Cb -0.12 -0.48 -0.07 0.00 0.00 0.00 0.00 34.95 34.28 3hm1 s ARG 548 CO 0.52 -0.24 0.04 -0.51 0.00 0.00 0.00 175.30 175.11 3hm1 s LEU 549 N 1.62 2.48 0.00 2.53 2.01 -1.26 -5.15 118.68 120.91 3hm1 s LEU 549 Ca -0.02 -1.39 0.08 0.00 0.01 0.00 0.00 54.13 52.81 3hm1 s LEU 549 Cb -0.13 -0.61 0.07 0.00 0.01 0.00 0.00 46.19 45.53 3hm1 s LEU 549 CO -0.03 -0.56 0.76 1.57 1.01 0.00 0.00 176.35 179.11