#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1n6m n HIS 293 N 0.00 0.26 0.28 1.12 -0.00 -1.26 -3.59 115.22 112.04 1n6m n HIS 293 Ca 0.00 0.08 0.03 0.00 -0.00 0.00 0.00 57.72 57.83 1n6m n HIS 293 Cb 0.00 -0.69 0.15 0.00 -0.00 0.00 0.00 29.99 29.45 1n6m n HIS 293 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 1n6m n ALA 294 N -2.31 1.44 1.73 1.57 0.00 -1.26 -0.01 120.51 121.67 1n6m n ALA 294 Ca -0.07 -0.03 0.03 0.00 0.00 0.00 0.00 53.44 53.37 1n6m n ALA 294 Cb 0.65 -1.10 0.19 0.00 0.00 0.00 0.00 19.45 19.19 1n6m n ALA 294 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1n6m n ALA 295 N -1.33 2.40 1.40 0.00 0.00 -1.24 -1.59 120.51 120.16 1n6m n ALA 295 Ca 0.03 -0.04 0.14 0.00 0.00 0.00 0.00 53.44 53.56 1n6m n ALA 295 Cb 0.06 -1.10 0.44 0.00 0.00 0.00 0.00 19.45 18.85 1n6m n ALA 295 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 177.50 178.97 1n6m n LEU 296 N -0.61 1.78 0.01 0.00 -0.00 0.99 -2.88 117.00 116.27 1n6m n LEU 296 Ca 0.05 -0.59 0.12 0.00 -0.00 0.00 0.00 56.01 55.59 1n6m n LEU 296 Cb 0.02 -0.00 0.54 0.00 -0.00 0.00 0.00 43.42 43.98 1n6m n LEU 296 CO 0.04 0.30 0.91 -1.54 -0.00 0.00 0.00 177.39 177.09 1n6m n SER 297 N 0.39 0.04 -0.04 1.45 3.41 -0.62 -2.47 113.62 115.78 1n6m n SER 297 Ca 0.18 0.50 -0.12 0.00 -0.26 0.00 0.00 58.87 59.17 1n6m n SER 297 Cb 0.40 -0.52 -0.07 0.00 -0.26 0.00 0.00 64.21 63.77 1n6m n SER 297 CO 0.00 0.00 0.00 0.74 -0.16 0.00 0.00 175.04 175.62 1n6m h THR 298 N 0.00 1.28 0.00 6.66 2.02 -1.74 -2.44 112.91 118.68 1n6m h THR 298 Ca 0.00 -0.92 -0.05 0.00 0.77 0.00 0.00 66.41 66.21 1n6m h THR 298 Cb 0.45 1.65 -0.01 0.00 -1.74 0.00 0.00 68.15 68.51 1n6m h THR 298 CO 0.00 0.27 -0.22 1.05 0.37 0.00 0.00 175.52 176.98 1n6m h GLU 299 N -0.08 0.00 -0.24 6.66 4.11 -1.70 0.39 114.58 123.72 1n6m h GLU 299 Ca 0.03 0.00 -0.15 0.00 0.07 0.00 0.00 59.36 59.31 1n6m h GLU 299 Cb 0.42 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.66 1n6m h GLU 299 CO 0.01 0.22 -0.48 -0.24 0.07 0.00 0.00 179.01 178.60 1n6m h VAL 300 N 0.00 1.30 0.12 -1.06 3.04 -1.44 -1.14 116.25 117.07 1n6m h VAL 300 Ca -0.00 -1.69 -0.01 0.00 -1.01 0.00 0.00 66.70 64.00 1n6m h VAL 300 Cb 0.86 1.64 0.00 0.00 -2.01 0.00 0.00 31.29 31.78 1n6m h VAL 300 CO 0.03 0.53 -0.06 0.58 -1.01 0.00 0.00 177.57 177.64 1n6m h VAL 301 N 0.50 1.07 -0.70 1.51 2.07 -1.15 -0.95 116.25 118.59 1n6m h VAL 301 Ca 0.03 -1.02 0.14 0.00 0.82 0.00 0.00 66.70 66.67 1n6m h VAL 301 Cb 1.02 1.68 -0.04 0.00 -1.52 0.00 0.00 31.29 32.42 1n6m h VAL 301 CO 0.10 0.23 0.47 -0.74 0.02 0.00 0.00 177.57 177.65 1n6m h HIS 302 N -0.67 0.40 0.12 1.57 6.17 -0.92 -1.90 115.15 119.92 1n6m h HIS 302 Ca -0.02 0.01 -0.29 0.00 0.71 0.00 0.00 60.37 60.79 1n6m h HIS 302 Cb 0.51 -0.13 0.02 0.00 2.52 0.00 0.00 27.41 30.33 1n6m h HIS 302 CO 0.08 0.16 -1.23 -0.07 0.71 0.00 0.00 177.93 177.58 1n6m h LEU 303 N 0.35 0.71 -1.60 0.26 3.38 -1.11 -3.03 115.31 114.27 1n6m h LEU 303 Ca 0.34 -0.67 0.13 0.00 0.09 0.00 0.00 57.88 57.77 1n6m h LEU 303 Cb 0.84 -0.22 -0.04 0.00 0.09 0.00 0.00 40.66 41.32 1n6m h LEU 303 CO -0.09 1.50 0.47 0.03 0.09 0.00 0.00 178.44 180.43 1n6m h ARG 304 N 0.20 0.40 0.18 1.13 3.08 -0.35 0.18 114.38 119.20 1n6m h ARG 304 Ca -0.17 -0.02 -0.01 0.00 0.07 0.00 0.00 59.98 59.85 1n6m h ARG 304 Cb 1.91 -0.09 0.00 0.00 0.08 0.00 0.00 29.97 31.87 1n6m h ARG 304 CO 0.22 0.27 -0.09 1.96 -1.07 0.00 0.00 179.97 181.26 1n6m h GLN 305 N 0.41 -0.23 -0.98 0.04 4.20 -1.51 -1.08 115.11 115.96 1n6m h GLN 305 Ca 0.33 0.02 0.22 0.00 0.06 0.00 0.00 58.65 59.28 1n6m h GLN 305 Cb 0.73 0.05 -0.09 0.00 0.30 0.00 0.00 27.48 28.47 1n6m h GLN 305 CO -0.10 0.18 0.62 0.00 -0.67 0.00 0.00 178.83 178.87 1n6m h ARG 306 N -0.80 0.53 0.38 1.46 2.47 -1.22 0.94 114.38 118.14 1n6m h ARG 306 Ca -0.02 -0.03 -0.02 0.00 -1.26 0.00 0.00 59.98 58.64 1n6m h ARG 306 Cb 0.52 -0.12 0.00 0.00 -1.65 0.00 0.00 29.97 28.73 1n6m h ARG 306 CO 0.04 0.35 -0.18 1.15 0.56 0.00 0.00 179.97 181.89 1n6m h THR 307 N 0.55 0.62 0.00 2.04 2.02 -0.58 0.71 112.91 118.26 1n6m h THR 307 Ca 0.55 -0.36 0.00 0.00 0.77 0.00 0.00 66.41 67.37 1n6m h THR 307 Cb 1.15 0.80 0.00 0.00 -1.74 0.00 0.00 68.15 68.36 1n6m h THR 307 CO -0.29 0.07 0.00 -0.08 0.37 0.00 0.00 175.52 175.59 1n6m h GLU 308 N -0.72 0.00 0.24 6.66 4.57 0.15 -0.19 114.58 125.29 1n6m h GLU 308 Ca -0.05 0.00 -0.01 0.00 -1.18 0.00 0.00 59.36 58.12 1n6m h GLU 308 Cb 0.50 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.09 1n6m h GLU 308 CO 0.09 0.00 -0.11 1.49 -1.18 0.00 0.00 179.01 179.29 1n6m h GLU 309 N 0.00 -0.31 0.00 1.92 4.81 0.11 -2.23 114.58 118.89 1n6m h GLU 309 Ca 0.00 0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.25 1n6m h GLU 309 Cb 0.43 0.07 0.00 0.00 0.63 0.00 0.00 28.75 29.88 1n6m h GLU 309 CO 0.00 -0.20 0.00 -0.07 -0.73 0.00 0.00 179.01 178.01 1n6m h LEU 310 N -0.88 0.00 0.00 1.64 4.07 -0.79 0.05 115.31 119.40 1n6m h LEU 310 Ca -0.03 0.00 -0.00 0.00 0.08 0.00 0.00 57.88 57.93 1n6m h LEU 310 Cb 0.24 0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.98 1n6m h LEU 310 CO 0.05 0.00 -0.00 0.25 -1.08 0.00 0.00 178.44 177.66 1n6m h LEU 311 N 0.00 -0.00 -0.52 1.67 7.12 -1.03 -1.07 115.31 121.47 1n6m h LEU 311 Ca 0.00 -0.68 -0.05 0.00 0.13 0.00 0.00 57.88 57.28 1n6m h LEU 311 Cb 0.08 0.00 -0.02 0.00 -0.53 0.00 0.00 40.66 40.19 1n6m h LEU 311 CO 0.00 0.68 0.15 0.08 -0.13 0.00 0.00 178.44 179.22 1n6m h ARG 312 N -0.68 0.82 0.00 1.25 -0.00 -0.69 -2.25 114.38 112.84 1n6m h ARG 312 Ca -0.00 -0.19 -0.01 0.00 -0.00 0.00 0.00 59.98 59.78 1n6m h ARG 312 Cb 0.68 -0.11 -0.00 0.00 -0.00 0.00 0.00 29.97 30.54 1n6m h ARG 312 CO 0.00 0.77 -0.04 0.00 -0.00 0.00 0.00 179.97 180.70 1n6m h ASN 314 N 0.00 -0.33 0.27 0.00 -1.24 -0.62 -3.08 115.58 110.58 1n6m h ASN 314 Ca -0.00 -0.19 0.00 0.00 0.71 0.00 0.00 56.30 56.82 1n6m h ASN 314 Cb 0.36 0.09 0.00 0.00 0.73 0.00 0.00 38.32 39.49 1n6m h ASN 314 CO 0.01 0.13 0.00 1.21 -1.29 0.00 0.00 177.43 177.49 1n6m n GLU 315 N -5.06 0.13 0.01 6.67 2.13 -0.95 -2.26 120.64 121.31 1n6m n GLU 315 Ca -0.08 0.52 -0.21 0.00 0.66 0.00 0.00 57.16 58.04 1n6m n GLU 315 Cb 0.26 -1.84 -0.14 0.00 0.27 0.00 0.00 31.44 30.00 1n6m n GLU 315 CO 0.00 0.00 0.00 0.37 -0.41 0.00 0.00 177.13 177.09 1n6m h GLN 316 N 0.00 0.24 -0.03 5.31 -0.00 -1.23 -3.31 115.11 116.09 1n6m h GLN 316 Ca 0.00 -0.41 -0.10 0.00 -0.00 0.00 0.00 58.65 58.15 1n6m h GLN 316 Cb 0.14 0.15 -0.01 0.00 0.00 0.00 0.00 27.48 27.76 1n6m h GLN 316 CO 0.00 1.19 -0.43 1.96 0.00 0.00 0.00 178.83 181.55 1n6m h GLN 317 N -0.30 0.07 0.00 1.69 4.20 -1.39 -2.46 115.11 116.92 1n6m h GLN 317 Ca -0.31 -0.03 -0.02 0.00 0.06 0.00 0.00 58.65 58.34 1n6m h GLN 317 Cb 1.77 -0.00 -0.00 0.00 0.30 0.00 0.00 27.48 29.54 1n6m h GLN 317 CO 0.05 0.49 -0.10 0.00 -0.67 0.00 0.00 178.83 178.60 1n6m h ALA 318 N 1.51 1.05 0.12 3.87 0.00 -1.58 0.67 119.26 124.90 1n6m h ALA 318 Ca 0.00 -0.09 -0.32 0.00 0.00 0.00 0.00 54.91 54.49 1n6m h ALA 318 Cb 0.79 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.56 1n6m h ALA 318 CO 0.06 0.13 -1.67 0.00 0.00 0.00 0.00 179.25 177.77 1n6m h ALA 319 N 1.90 0.32 -0.16 0.00 0.00 -1.57 -2.94 119.26 116.81 1n6m h ALA 319 Ca -0.00 -1.19 -0.18 0.00 0.00 0.00 0.00 54.91 53.53 1n6m h ALA 319 Cb 0.55 0.40 -0.00 0.00 0.00 0.00 0.00 17.79 18.74 1n6m h ALA 319 CO 0.01 1.19 -0.65 1.49 0.00 0.00 0.00 179.25 181.29 1n6m h GLU 320 N 0.07 0.59 0.00 0.00 4.81 -1.22 -2.40 114.58 116.44 1n6m h GLU 320 Ca -0.30 -0.42 -0.03 0.00 -0.13 0.00 0.00 59.36 58.49 1n6m h GLU 320 Cb 2.04 0.07 -0.00 0.00 0.63 0.00 0.00 28.75 31.48 1n6m h GLU 320 CO 0.15 1.04 -0.12 1.25 -0.73 0.00 0.00 179.01 180.60 1n6m h LEU 321 N 0.43 0.00 0.21 1.64 5.85 -0.98 -0.63 115.31 121.83 1n6m h LEU 321 Ca -0.01 0.00 -0.28 0.00 0.84 0.00 0.00 57.88 58.42 1n6m h LEU 321 Cb 1.22 0.00 0.03 0.00 0.37 0.00 0.00 40.66 42.28 1n6m h LEU 321 CO 0.12 0.12 -1.26 -0.08 -0.34 0.00 0.00 178.44 177.01 1n6m h GLU 322 N 0.00 0.45 -0.50 1.25 4.81 -1.31 -2.76 114.58 116.52 1n6m h GLU 322 Ca -0.00 -0.76 -0.04 0.00 -0.13 0.00 0.00 59.36 58.43 1n6m h GLU 322 Cb 0.74 0.28 -0.02 0.00 0.63 0.00 0.00 28.75 30.38 1n6m h GLU 322 CO 0.02 1.37 0.17 1.15 -0.73 0.00 0.00 179.01 180.98 1n6m h THR 323 N -0.05 1.22 0.02 0.32 2.02 -1.33 -0.57 112.91 114.54 1n6m h THR 323 Ca -0.22 -0.73 0.00 0.00 0.77 0.00 0.00 66.41 66.23 1n6m h THR 323 Cb 1.98 0.77 -0.00 0.00 -1.74 0.00 0.00 68.15 69.15 1n6m h THR 323 CO 0.23 0.27 -0.02 0.00 0.37 0.00 0.00 175.52 176.36 1n6m h LYS 325 N -0.05 0.75 0.63 0.00 1.57 -1.43 0.45 116.57 118.49 1n6m h LYS 325 Ca 0.00 -0.19 -0.03 0.00 -1.87 0.00 0.00 60.65 58.56 1n6m h LYS 325 Cb 0.05 -0.09 0.00 0.00 0.08 0.00 0.00 32.23 32.27 1n6m h LYS 325 CO -0.01 0.75 -0.32 1.49 -0.57 0.00 0.00 179.45 180.79 1n6m h GLU 326 N 0.70 -0.84 -0.49 3.15 4.22 -0.50 -1.67 114.58 119.15 1n6m h GLU 326 Ca 0.14 0.06 0.08 0.00 0.08 0.00 0.00 59.36 59.72 1n6m h GLU 326 Cb 0.42 0.19 -0.07 0.00 0.50 0.00 0.00 28.75 29.79 1n6m h GLU 326 CO 0.02 -0.56 0.11 1.96 -2.18 0.00 0.00 179.01 178.35 1n6m h GLN 327 N -0.88 0.25 -0.78 1.92 1.08 0.58 -1.02 115.11 116.26 1n6m h GLN 327 Ca -0.09 -0.01 0.14 0.00 -1.45 0.00 0.00 58.65 57.24 1n6m h GLN 327 Cb 0.68 -0.06 -0.05 0.00 -0.05 0.00 0.00 27.48 28.00 1n6m h GLN 327 CO 0.13 0.16 0.52 1.25 -0.95 0.00 0.00 178.83 179.94 1n6m h LEU 328 N 0.25 0.46 -0.75 1.46 5.85 -0.04 0.25 115.31 122.79 1n6m h LEU 328 Ca 0.24 0.03 -0.08 0.00 0.84 0.00 0.00 57.88 58.91 1n6m h LEU 328 Cb 0.31 -0.07 -0.01 0.00 0.37 0.00 0.00 40.66 41.27 1n6m h LEU 328 CO -0.31 0.24 -0.37 0.15 -0.34 0.00 0.00 178.44 177.82 1n6m h PHE 329 N 0.49 0.00 0.20 1.25 3.57 -0.21 -1.72 116.94 120.52 1n6m h PHE 329 Ca 0.38 0.00 -0.32 0.00 3.53 0.00 0.00 57.97 61.57 1n6m h PHE 329 Cb 0.79 0.00 0.02 0.00 2.79 0.00 0.00 35.95 39.56 1n6m h PHE 329 CO -0.00 0.37 -1.44 0.37 -2.23 0.00 0.00 178.31 175.37 1n6m h GLN 330 N 0.00 0.42 0.00 1.11 4.15 -0.16 -2.99 115.11 117.64 1n6m h GLN 330 Ca -0.00 -0.72 -0.01 0.00 0.77 0.00 0.00 58.65 58.68 1n6m h GLN 330 Cb 0.98 0.27 -0.00 0.00 0.21 0.00 0.00 27.48 28.94 1n6m h GLN 330 CO 0.05 1.34 -0.06 1.03 -1.93 0.00 0.00 178.83 179.25 1n6m h SER 331 N 0.12 0.00 0.28 -0.69 0.87 -0.55 -2.37 113.55 111.21 1n6m h SER 331 Ca -0.23 0.00 -0.34 0.00 -1.23 0.00 0.00 61.79 60.00 1n6m h SER 331 Cb 2.10 0.00 0.02 0.00 -0.44 0.00 0.00 62.40 64.08 1n6m h SER 331 CO 0.24 0.06 -1.57 -1.13 -0.53 0.00 0.00 176.83 173.90 1n6m h ASN 332 N 0.00 0.70 0.46 6.23 -1.24 -1.32 -3.12 115.58 117.29 1n6m h ASN 332 Ca -0.00 -0.85 -0.02 0.00 0.71 0.00 0.00 56.30 56.13 1n6m h ASN 332 Cb 0.51 -0.23 0.00 0.00 0.73 0.00 0.00 38.32 39.34 1n6m h ASN 332 CO 0.01 1.69 -0.22 0.24 -1.29 0.00 0.00 177.43 177.86 1n6m h MET 333 N 0.12 -0.60 -0.58 6.67 2.86 -1.35 -1.97 114.93 120.08 1n6m h MET 333 Ca -0.28 0.04 0.11 0.00 -2.06 0.00 0.00 59.70 57.52 1n6m h MET 333 Cb 2.12 0.14 -0.09 0.00 0.06 0.00 0.00 31.60 33.83 1n6m h MET 333 CO 0.23 -0.37 0.07 0.93 1.06 0.00 0.00 176.91 178.83 1n6m h GLU 334 N -0.67 0.18 -0.84 1.72 5.08 -1.58 -1.03 114.58 117.45 1n6m h GLU 334 Ca -0.06 -0.01 0.02 0.00 -1.00 0.00 0.00 59.36 58.31 1n6m h GLU 334 Cb 0.50 -0.04 -0.05 0.00 0.50 0.00 0.00 28.75 29.66 1n6m h GLU 334 CO 0.10 0.12 0.55 -0.09 -1.00 0.00 0.00 179.01 178.69 1n6m h ARG 335 N 0.19 1.05 0.00 2.33 2.43 -1.47 -0.04 114.38 118.87 1n6m h ARG 335 Ca 0.31 -0.06 -0.11 0.00 -0.81 0.00 0.00 59.98 59.30 1n6m h ARG 335 Cb 0.47 -0.24 -0.02 0.00 -0.42 0.00 0.00 29.97 29.77 1n6m h ARG 335 CO -0.44 0.70 -0.54 0.87 -1.51 0.00 0.00 179.97 179.05 1n6m h LYS 336 N 1.08 0.00 0.24 0.20 1.57 -0.48 -1.75 116.57 117.43 1n6m h LYS 336 Ca 0.32 0.00 -0.32 0.00 -1.87 0.00 0.00 60.65 58.78 1n6m h LYS 336 Cb -0.05 0.00 0.04 0.00 0.08 0.00 0.00 32.23 32.30 1n6m h LYS 336 CO -0.10 0.54 -1.43 0.93 -0.57 0.00 0.00 179.45 178.82 1n6m h GLU 337 N 0.00 0.51 -0.30 3.15 5.08 -0.86 -2.78 114.58 119.39 1n6m h GLU 337 Ca -0.01 -0.87 -0.06 0.00 -1.00 0.00 0.00 59.36 57.42 1n6m h GLU 337 Cb 1.09 0.32 -0.02 0.00 0.50 0.00 0.00 28.75 30.65 1n6m h GLU 337 CO 0.07 1.42 -0.08 -0.07 -1.00 0.00 0.00 179.01 179.34 1n6m h LEU 338 N 0.08 0.46 -1.71 1.33 3.38 -1.03 -1.52 115.31 116.30 1n6m h LEU 338 Ca -0.25 -0.11 -0.04 0.00 0.09 0.00 0.00 57.88 57.57 1n6m h LEU 338 Cb 2.11 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 42.73 1n6m h LEU 338 CO 0.26 0.59 -0.18 -0.74 0.09 0.00 0.00 178.44 178.46 1n6m h HIS 339 N 0.45 0.00 0.02 1.13 2.76 -1.30 -0.99 115.15 117.23 1n6m h HIS 339 Ca 0.09 0.00 -0.05 0.00 -2.20 0.00 0.00 60.37 58.21 1n6m h HIS 339 Cb 0.43 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.39 1n6m h HIS 339 CO 0.01 0.18 -0.21 -0.91 -1.30 0.00 0.00 177.93 175.71 1n6m h ASN 340 N 0.00 0.15 -0.86 3.26 2.35 -1.04 -2.80 115.58 116.64 1n6m h ASN 340 Ca -0.00 -0.87 0.15 0.00 -0.55 0.00 0.00 56.30 55.03 1n6m h ASN 340 Cb 0.39 -0.05 -0.07 0.00 0.05 0.00 0.00 38.32 38.65 1n6m h ASN 340 CO 0.02 1.00 0.56 0.74 -1.65 0.00 0.00 177.43 178.11 1n6m h THR 341 N -0.68 0.82 -0.04 2.81 2.02 -0.93 0.26 112.91 117.17 1n6m h THR 341 Ca -0.03 -0.22 -0.01 0.00 0.77 0.00 0.00 66.41 66.92 1n6m h THR 341 Cb 1.05 0.14 -0.00 0.00 -1.74 0.00 0.00 68.15 67.60 1n6m h THR 341 CO 0.04 0.12 -0.03 0.58 0.37 0.00 0.00 175.52 176.59 1n6m h VAL 342 N 0.63 1.37 -0.47 3.16 2.07 -1.23 0.11 116.25 121.89 1n6m h VAL 342 Ca 0.43 -1.17 -0.06 0.00 0.82 0.00 0.00 66.70 66.72 1n6m h VAL 342 Cb 0.75 2.08 -0.02 0.00 -1.52 0.00 0.00 31.29 32.58 1n6m h VAL 342 CO -0.19 0.31 0.04 0.24 0.02 0.00 0.00 177.57 178.00 1n6m h MET 343 N -0.36 0.76 -0.06 1.57 2.07 -1.10 -1.90 114.93 115.91 1n6m h MET 343 Ca 0.01 -0.18 -0.16 0.00 -2.07 0.00 0.00 59.70 57.30 1n6m h MET 343 Cb 0.53 -0.10 -0.01 0.00 -1.87 0.00 0.00 31.60 30.14 1n6m h MET 343 CO 0.01 0.74 -0.66 -0.44 1.07 0.00 0.00 176.91 177.63 1n6m h ASP 344 N 0.72 0.29 0.26 1.22 3.45 -0.49 -2.94 116.42 118.92 1n6m h ASP 344 Ca 0.15 -0.18 -0.14 0.00 0.43 0.00 0.00 57.03 57.29 1n6m h ASP 344 Cb 0.38 -0.08 -0.01 0.00 -0.56 0.00 0.00 39.33 39.06 1n6m h ASP 344 CO 0.01 0.87 -0.56 -0.07 -1.57 0.00 0.00 179.24 177.92 1n6m h LEU 345 N 0.17 0.36 0.00 1.55 4.07 -0.29 -3.39 115.31 117.78 1n6m h LEU 345 Ca -0.01 -0.19 0.00 0.00 0.08 0.00 0.00 57.88 57.75 1n6m h LEU 345 Cb 1.20 -0.10 0.00 0.00 1.08 0.00 0.00 40.66 42.83 1n6m h LEU 345 CO 0.10 0.85 -0.49 -2.11 -1.08 0.00 0.00 178.44 175.71 1n6m n ARG 346 N -3.92 0.41 -2.49 1.13 1.85 -0.76 -5.07 116.66 107.82 1n6m n ARG 346 Ca -0.02 0.49 -0.06 0.00 -1.00 0.00 0.00 57.85 57.25 1n6m n ARG 346 Cb 0.59 -1.59 -0.01 0.00 -1.05 0.00 0.00 32.46 30.40 1n6m n ARG 346 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 1n6m n GLY 347 N 1.62 4.04 0.22 2.89 0.00 -1.11 -5.04 105.19 107.81 1n6m n GLY 347 Ca -0.07 -2.15 0.09 0.00 0.00 0.00 0.00 46.02 43.89 1n6m n GLY 347 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1n6m n ASN 348 N -1.34 2.08 -3.66 1.61 5.15 -1.26 -4.52 115.26 113.31 1n6m n ASN 348 Ca -0.03 -3.19 -0.09 0.00 -0.60 0.00 0.00 54.58 50.66 1n6m n ASN 348 Cb 0.12 -0.44 -0.10 0.00 -0.53 0.00 0.00 39.78 38.83 1n6m n ASN 348 CO 0.00 0.00 0.00 -0.51 1.40 0.00 0.00 177.26 178.15 1n6m s ILE 349 N -2.78 -0.55 0.05 -1.44 2.07 -1.26 -2.22 121.20 115.09 1n6m s ILE 349 Ca 0.32 0.17 -0.00 0.00 -1.41 0.00 0.00 60.65 59.73 1n6m s ILE 349 Cb 0.29 -0.63 -0.04 0.00 0.13 0.00 0.00 42.46 42.21 1n6m s ILE 349 CO 0.00 0.07 0.21 -0.13 -1.91 0.00 0.00 174.94 173.19 1n6m s ARG 350 N 2.44 3.44 -0.08 3.50 3.00 -1.08 -5.00 118.95 125.17 1n6m s ARG 350 Ca -0.02 -0.42 -0.00 0.00 0.00 0.00 0.00 55.73 55.28 1n6m s ARG 350 Cb -0.12 -3.04 0.02 0.00 0.00 0.00 0.00 34.95 31.81 1n6m s ARG 350 CO -0.12 0.62 -0.06 0.08 0.00 0.00 0.00 175.30 175.82 1n6m s VAL 351 N -1.49 0.77 0.08 3.52 1.01 -1.26 -1.55 120.40 121.48 1n6m s VAL 351 Ca 0.34 -0.17 0.10 0.00 0.00 0.00 0.00 61.98 62.25 1n6m s VAL 351 Cb -0.13 -0.82 -0.03 0.00 0.00 0.00 0.00 36.38 35.40 1n6m s VAL 351 CO 0.27 0.31 -0.27 -0.36 0.00 0.00 0.00 175.10 175.06 1n6m s PHE 352 N 1.50 2.32 -0.05 5.22 2.99 -0.37 -0.79 117.98 128.80 1n6m s PHE 352 Ca -0.00 -0.40 0.05 0.00 0.00 0.00 0.00 56.93 56.57 1n6m s PHE 352 Cb -0.13 -1.34 -0.02 0.00 0.00 0.00 0.00 43.02 41.53 1n6m s PHE 352 CO -0.04 0.21 -0.19 0.00 -0.00 0.00 0.00 175.22 175.20 1n6m s ARG 354 N -0.49 1.33 -0.23 0.00 3.00 0.79 -0.72 118.95 122.63 1n6m s ARG 354 Ca 0.06 -0.22 -0.06 0.00 -1.00 0.00 0.00 55.73 54.52 1n6m s ARG 354 Cb -0.12 -1.34 -0.02 0.00 0.00 0.00 0.00 34.95 33.47 1n6m s ARG 354 CO 0.01 -0.18 0.03 0.42 0.00 0.00 0.00 175.30 175.59 1n6m s ILE 355 N 1.38 4.07 0.20 4.11 -1.09 -0.99 -1.87 121.20 127.01 1n6m s ILE 355 Ca -0.02 -0.26 -0.21 0.00 -2.23 0.00 0.00 60.65 57.93 1n6m s ILE 355 Cb -0.14 -2.87 -0.08 0.00 -1.58 0.00 0.00 42.46 37.79 1n6m s ILE 355 CO -0.04 0.39 0.73 0.00 -1.23 0.00 0.00 174.94 174.79 1n6m s ARG 356 N 1.34 4.32 0.84 2.79 1.70 -1.07 -2.92 118.95 125.95 1n6m s ARG 356 Ca 0.05 0.93 -0.11 0.00 -0.47 0.00 0.00 55.73 56.12 1n6m s ARG 356 Cb -0.15 -2.98 0.09 0.00 -0.57 0.00 0.00 34.95 31.34 1n6m s ARG 356 CO 0.02 0.45 1.09 -1.25 -1.08 0.00 0.00 175.30 174.53 1n6m s PRO 357 N -1.74 1.73 0.16 3.89 0.04 -1.25 -4.28 135.00 133.55 1n6m s PRO 357 Ca 0.41 0.85 -0.31 0.00 0.04 0.00 0.00 61.00 61.99 1n6m s PRO 357 Cb -0.18 -1.86 -0.09 0.00 0.04 0.00 0.00 34.50 32.41 1n6m s PRO 357 CO 0.22 -1.93 1.47 -2.14 0.04 0.00 0.00 177.00 174.67 1n6m s PRO 358 N -4.98 4.27 0.51 0.56 0.02 -1.26 -4.96 135.00 129.16 1n6m s PRO 358 Ca 0.62 2.23 -0.22 0.00 0.02 0.00 0.00 61.00 63.65 1n6m s PRO 358 Cb -0.17 -3.19 -0.06 0.00 0.02 0.00 0.00 34.50 31.11 1n6m s PRO 358 CO 0.56 -0.50 1.25 -1.17 -0.33 0.00 0.00 177.00 176.81 1n6m s LEU 359 N 0.87 3.91 0.00 -5.54 2.96 -1.26 -4.82 118.68 114.80 1n6m s LEU 359 Ca 0.66 2.52 0.00 0.00 -0.22 0.00 0.00 54.13 57.09 1n6m s LEU 359 Cb -0.41 -4.29 0.00 0.00 0.50 0.00 0.00 46.19 42.00 1n6m s LEU 359 CO 0.33 -1.27 0.50 -0.62 -1.32 0.00 0.00 176.35 173.97 1n6m n GLU 360 N -0.82 0.00 -0.01 1.98 -0.58 -1.26 -0.12 120.64 119.83 1n6m n GLU 360 Ca 0.09 0.12 0.01 0.00 -0.42 0.00 0.00 57.16 56.97 1n6m n GLU 360 Cb 0.47 -1.59 0.02 0.00 -0.57 0.00 0.00 31.44 29.77 1n6m n GLU 360 CO 0.00 0.00 0.00 -1.13 -0.48 0.00 0.00 177.13 175.52 1n6m n SER 361 N -1.00 1.53 -2.21 1.62 3.41 -1.26 -4.75 113.62 110.96 1n6m n SER 361 Ca 0.00 -1.38 -0.28 0.00 -0.26 0.00 0.00 58.87 56.96 1n6m n SER 361 Cb 0.09 -0.02 0.03 0.00 -0.26 0.00 0.00 64.21 64.05 1n6m n SER 361 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1n6m n GLU 362 N 0.04 3.34 0.00 4.33 1.02 0.83 -4.71 120.64 125.49 1n6m n GLU 362 Ca 0.02 -4.00 0.07 0.00 -0.02 0.00 0.00 57.16 53.23 1n6m n GLU 362 Cb 0.14 -2.28 0.32 0.00 -0.02 0.00 0.00 31.44 29.60 1n6m n GLU 362 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 1n6m n GLU 363 N -0.71 0.13 0.00 3.49 1.02 -1.26 -2.34 120.64 120.97 1n6m n GLU 363 Ca 0.48 0.20 0.08 0.00 -0.02 0.00 0.00 57.16 57.90 1n6m n GLU 363 Cb 0.81 -1.50 -0.07 0.00 -0.02 0.00 0.00 31.44 30.66 1n6m n GLU 363 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 1n6m n ASN 364 N -1.36 1.00 -4.73 1.62 5.03 -1.26 -4.94 115.26 110.62 1n6m n ASN 364 Ca 0.05 -1.00 -0.40 0.00 0.87 0.00 0.00 54.58 54.10 1n6m n ASN 364 Cb 0.12 0.88 -0.05 0.00 -1.02 0.00 0.00 39.78 39.72 1n6m n ASN 364 CO 0.00 0.00 0.00 -0.13 -1.83 0.00 0.00 177.26 175.30 1n6m s ARG 365 N -2.45 4.56 0.44 3.52 0.52 -0.99 -5.03 118.95 119.52 1n6m s ARG 365 Ca 0.08 1.20 -0.21 0.00 -0.52 0.00 0.00 55.73 56.28 1n6m s ARG 365 Cb 0.13 -3.39 -0.10 0.00 0.52 0.00 0.00 34.95 32.11 1n6m s ARG 365 CO 0.63 0.20 0.98 1.41 0.02 0.00 0.00 175.30 178.55 1n6m s MET 366 N 0.16 4.09 0.28 3.54 1.75 -1.26 -5.00 119.30 122.87 1n6m s MET 366 Ca 0.42 1.22 0.09 0.00 -1.25 0.00 0.00 55.69 56.18 1n6m s MET 366 Cb -0.21 -2.18 -0.04 0.00 2.84 0.00 0.00 34.83 35.23 1n6m s MET 366 CO 0.25 -0.16 0.02 0.00 -0.65 0.00 0.00 175.02 174.48 1n6m s THR 369 N -2.65 4.66 -0.02 0.00 -4.23 -0.44 -4.92 115.64 108.05 1n6m s THR 369 Ca 0.57 0.62 -0.15 0.00 -1.18 0.00 0.00 61.69 61.55 1n6m s THR 369 Cb -0.10 -4.29 -0.05 0.00 1.34 0.00 0.00 72.50 69.40 1n6m s THR 369 CO 0.37 -0.63 0.40 0.26 -0.54 0.00 0.00 174.62 174.48 1n6m s TRP 370 N 3.26 3.69 -0.06 3.99 0.52 -1.26 -0.84 118.94 128.25 1n6m s TRP 370 Ca 0.31 0.95 0.01 0.00 0.02 0.00 0.00 56.10 57.39 1n6m s TRP 370 Cb -0.12 -2.30 0.02 0.00 -1.15 0.00 0.00 33.47 29.91 1n6m s TRP 370 CO 0.21 0.58 -0.08 0.99 0.02 0.00 0.00 176.95 178.67 1n6m s THR 371 N -0.84 0.82 -0.20 2.01 2.01 0.86 -4.98 115.64 115.32 1n6m s THR 371 Ca 0.23 -0.28 -0.04 0.00 0.31 0.00 0.00 61.69 61.90 1n6m s THR 371 Cb -0.16 -0.80 -0.02 0.00 0.01 0.00 0.00 72.50 71.53 1n6m s THR 371 CO 0.12 0.29 -0.02 -0.31 -0.69 0.00 0.00 174.62 174.02 1n6m s TYR 372 N 0.86 3.01 -0.19 4.92 2.02 -1.26 -0.08 117.35 126.63 1n6m s TYR 372 Ca -0.12 -0.58 0.16 0.00 -0.37 0.00 0.00 57.07 56.16 1n6m s TYR 372 Cb -0.15 -2.08 -0.23 0.00 -0.40 0.00 0.00 41.96 39.10 1n6m s TYR 372 CO 0.01 -0.32 0.05 0.72 -1.57 0.00 0.00 175.55 174.44 1n6m n HIS 373 N 4.36 0.00 -3.07 2.71 8.25 -0.30 -5.02 115.22 122.14 1n6m n HIS 373 Ca -0.17 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.29 1n6m n HIS 373 Cb 0.52 -0.93 0.00 0.00 1.12 0.00 0.00 29.99 30.70 1n6m n HIS 373 CO 0.00 0.00 0.00 -0.25 0.64 0.00 0.00 176.34 176.73 1n6m n ASP 374 N -2.72 0.00 -0.03 0.41 8.00 -1.21 -4.96 116.55 116.03 1n6m n ASP 374 Ca -0.31 -0.12 0.12 0.00 0.71 0.00 0.00 54.79 55.19 1n6m n ASP 374 Cb 1.10 0.00 0.25 0.00 -0.02 0.00 0.00 41.12 42.45 1n6m n ASP 374 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1n6m n GLU 375 N 0.00 0.10 0.00 -1.24 -0.58 -1.26 -4.16 120.64 113.50 1n6m n GLU 375 Ca 0.00 -0.06 0.00 0.00 -0.42 0.00 0.00 57.16 56.68 1n6m n GLU 375 Cb 0.00 -1.50 0.00 0.00 -0.57 0.00 0.00 31.44 29.37 1n6m n GLU 375 CO 0.00 0.00 0.00 -1.13 -0.48 0.00 0.00 177.13 175.52 1n6m n SER 376 N -1.40 0.34 -3.96 1.62 3.41 -1.26 0.44 113.62 112.81 1n6m n SER 376 Ca 0.06 -1.16 -0.29 0.00 -0.26 0.00 0.00 58.87 57.22 1n6m n SER 376 Cb 0.34 0.00 -0.16 0.00 -0.26 0.00 0.00 64.21 64.12 1n6m n SER 376 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 1n6m s THR 377 N -0.16 1.38 0.05 6.66 2.01 -1.26 0.05 115.64 124.37 1n6m s THR 377 Ca 0.00 -0.67 0.05 0.00 0.31 0.00 0.00 61.69 61.38 1n6m s THR 377 Cb 0.00 -1.42 -0.02 0.00 0.01 0.00 0.00 72.50 71.07 1n6m s THR 377 CO 0.00 0.29 -0.14 0.54 -0.69 0.00 0.00 174.62 174.61 1n6m s VAL 378 N 1.54 1.13 0.03 3.82 0.11 -0.28 -1.15 120.40 125.59 1n6m s VAL 378 Ca 0.02 -1.10 0.03 0.00 -2.93 0.00 0.00 61.98 58.00 1n6m s VAL 378 Cb -0.14 -1.04 -0.02 0.00 -1.53 0.00 0.00 36.38 33.65 1n6m s VAL 378 CO -0.09 -0.06 -0.09 -0.70 -3.33 0.00 0.00 175.10 170.83 1n6m s GLU 379 N -1.32 0.66 -0.04 1.54 2.12 0.89 0.04 118.70 122.58 1n6m s GLU 379 Ca 0.01 -0.58 0.05 0.00 0.36 0.00 0.00 54.97 54.81 1n6m s GLU 379 Cb -0.09 -0.58 -0.01 0.00 0.26 0.00 0.00 34.13 33.72 1n6m s GLU 379 CO 0.02 0.14 -0.19 -0.48 -0.54 0.00 0.00 175.26 174.20 1n6m s LEU 380 N -0.95 1.97 -0.08 2.70 2.34 0.25 -0.09 118.68 124.82 1n6m s LEU 380 Ca -0.02 -0.38 0.03 0.00 0.06 0.00 0.00 54.13 53.82 1n6m s LEU 380 Cb -0.07 -1.05 0.00 0.00 -0.56 0.00 0.00 46.19 44.51 1n6m s LEU 380 CO 0.00 0.19 -0.19 -1.10 -1.06 0.00 0.00 176.35 174.19 1n6m s GLN 381 N -0.13 2.45 0.87 1.48 -0.21 -0.02 -4.00 119.66 120.10 1n6m s GLN 381 Ca -0.01 -0.69 -0.11 0.00 0.02 0.00 0.00 55.36 54.57 1n6m s GLN 381 Cb -0.11 -1.92 0.12 0.00 1.00 0.00 0.00 33.01 32.10 1n6m s GLN 381 CO 0.02 0.14 1.15 0.45 -2.12 0.00 0.00 175.29 174.92 1n6m s SER 382 N 0.41 3.30 0.28 5.90 0.15 -1.26 -1.32 113.70 121.17 1n6m s SER 382 Ca -0.16 2.15 0.14 0.00 0.70 0.00 0.00 55.95 58.78 1n6m s SER 382 Cb -0.17 -2.56 0.32 0.00 -1.71 0.00 0.00 66.02 61.90 1n6m s SER 382 CO 0.06 -2.85 1.56 0.40 1.20 0.00 0.00 173.24 173.62 1n6m h ILE 383 N -1.58 1.18 -2.93 6.45 1.08 -1.93 -3.44 117.51 116.35 1n6m h ILE 383 Ca -0.44 -2.16 -0.62 0.00 -0.39 0.00 0.00 64.86 61.25 1n6m h ILE 383 Cb 1.27 2.25 -0.06 0.00 -3.07 0.00 0.00 36.82 37.21 1n6m h ILE 383 CO 0.44 0.57 -0.28 1.51 -0.69 0.00 0.00 178.15 179.70 1n6m s ASP 384 N -6.60 6.68 0.15 1.72 1.47 -1.26 -5.03 116.67 113.80 1n6m s ASP 384 Ca 0.01 0.82 -0.21 0.00 1.18 0.00 0.00 52.55 54.34 1n6m s ASP 384 Cb 0.11 -2.19 0.03 0.00 -0.34 0.00 0.00 42.92 40.52 1n6m s ASP 384 CO 0.74 0.33 1.65 0.00 0.68 0.00 0.00 175.17 178.57 1n6m h ALA 385 N 4.65 -0.00 0.00 2.11 0.00 -2.02 -1.29 119.26 122.71 1n6m h ALA 385 Ca -0.52 0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.48 1n6m h ALA 385 Cb 1.22 0.38 0.00 0.00 0.00 0.00 0.00 17.79 19.39 1n6m h ALA 385 CO 0.61 -0.59 0.07 1.04 0.00 0.00 0.00 179.25 180.39 1n6m n GLN 386 N -5.33 0.00 0.07 0.00 6.02 -1.26 -1.30 117.38 115.58 1n6m n GLN 386 Ca -0.01 0.43 -0.10 0.00 -0.01 0.00 0.00 57.00 57.31 1n6m n GLN 386 Cb 0.25 -1.59 -0.13 0.00 1.02 0.00 0.00 30.24 29.79 1n6m n GLN 386 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1n6m h ALA 387 N 1.71 0.28 -0.11 -1.58 0.00 -1.62 -3.03 119.26 114.91 1n6m h ALA 387 Ca 0.00 -0.93 0.00 0.00 0.00 0.00 0.00 54.91 53.98 1n6m h ALA 387 Cb 0.15 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.87 1n6m h ALA 387 CO 0.00 1.17 0.00 1.63 0.00 0.00 0.00 179.25 182.05 1n6m n LYS 388 N -3.40 1.28 0.04 0.00 5.02 -0.42 -3.31 118.16 117.37 1n6m n LYS 388 Ca -0.04 -0.42 0.13 0.00 -2.02 0.00 0.00 58.31 55.96 1n6m n LYS 388 Cb 0.97 -1.10 0.35 0.00 -0.02 0.00 0.00 35.03 35.23 1n6m n LYS 388 CO 0.00 0.00 0.00 0.43 -0.52 0.00 0.00 177.40 177.31 1n6m n SER 389 N -0.16 0.52 -3.79 4.39 7.64 -1.14 -3.98 113.62 117.10 1n6m n SER 389 Ca 0.04 0.23 -0.28 0.00 1.01 0.00 0.00 58.87 59.87 1n6m n SER 389 Cb 0.11 -0.20 -0.16 0.00 -1.01 0.00 0.00 64.21 62.95 1n6m n SER 389 CO 0.00 0.00 0.00 -0.54 -3.01 0.00 0.00 175.04 171.49 1n6m s LYS 390 N -3.07 0.91 -1.60 1.43 -0.14 -1.21 -4.81 119.74 111.24 1n6m s LYS 390 Ca 0.10 -0.60 -0.12 0.00 -1.36 0.00 0.00 55.97 53.99 1n6m s LYS 390 Cb 0.15 -2.24 0.10 0.00 -1.68 0.00 0.00 37.83 34.17 1n6m s LYS 390 CO 0.64 -0.64 0.64 -1.33 -0.76 0.00 0.00 175.35 173.90 1n6m n MET 391 N 4.94 -3.13 0.00 1.68 2.81 -1.26 -4.69 117.12 117.47 1n6m n MET 391 Ca -0.09 0.37 0.00 0.00 -1.81 0.00 0.00 57.70 56.17 1n6m n MET 391 Cb 0.46 -4.85 0.00 0.00 -0.71 0.00 0.00 33.22 28.12 1n6m n MET 391 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1n6m n GLY 392 N -1.65 0.00 2.71 3.03 0.00 -1.26 -4.37 105.19 103.66 1n6m n GLY 392 Ca -0.06 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.66 1n6m n GLY 392 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1n6m s GLN 393 N -0.28 0.70 -0.78 1.61 0.74 -1.26 -4.92 119.66 115.47 1n6m s GLN 393 Ca 0.00 -1.10 -0.12 0.00 0.05 0.00 0.00 55.36 54.20 1n6m s GLN 393 Cb 0.00 -1.93 0.21 0.00 1.10 0.00 0.00 33.01 32.39 1n6m s GLN 393 CO 0.00 -1.01 0.69 -0.65 -0.55 0.00 0.00 175.29 173.78 1n6m s GLN 394 N 1.56 3.37 -0.08 1.67 -1.52 -1.26 -5.03 119.66 118.38 1n6m s GLN 394 Ca 0.10 -2.47 0.00 0.00 -1.95 0.00 0.00 55.36 51.05 1n6m s GLN 394 Cb -0.18 -4.28 0.02 0.00 -0.22 0.00 0.00 33.01 28.36 1n6m s GLN 394 CO -0.24 -1.27 -0.07 -1.50 -0.25 0.00 0.00 175.29 171.96 1n6m s ILE 395 N 0.13 0.88 0.15 1.08 2.07 -1.26 -0.58 121.20 123.67 1n6m s ILE 395 Ca 0.17 -0.26 0.08 0.00 -1.41 0.00 0.00 60.65 59.24 1n6m s ILE 395 Cb -0.13 -0.89 -0.04 0.00 0.13 0.00 0.00 42.46 41.53 1n6m s ILE 395 CO -0.08 0.33 -0.18 -0.36 -1.91 0.00 0.00 174.94 172.74 1n6m s PHE 396 N 1.32 1.75 -0.08 3.50 0.40 0.11 -4.97 117.98 120.02 1n6m s PHE 396 Ca -0.03 -0.48 0.05 0.00 -0.60 0.00 0.00 56.93 55.87 1n6m s PHE 396 Cb -0.14 -0.89 -0.01 0.00 0.51 0.00 0.00 43.02 42.50 1n6m s PHE 396 CO -0.03 0.29 -0.23 -1.12 0.70 0.00 0.00 175.22 174.83 1n6m s SER 397 N -2.56 3.25 0.27 1.36 0.01 -1.26 -1.12 113.70 113.65 1n6m s SER 397 Ca 0.14 -0.48 0.04 0.00 1.31 0.00 0.00 55.95 56.95 1n6m s SER 397 Cb -0.06 -1.11 -0.01 0.00 0.21 0.00 0.00 66.02 65.05 1n6m s SER 397 CO 0.06 0.22 0.13 0.49 0.41 0.00 0.00 173.24 174.55 1n6m n PHE 398 N 3.15 -0.12 0.56 2.43 3.01 0.11 -4.80 117.46 121.81 1n6m n PHE 398 Ca -0.18 -1.86 0.13 0.00 1.01 0.00 0.00 57.45 56.55 1n6m n PHE 398 Cb 0.52 0.06 0.42 0.00 -0.01 0.00 0.00 39.48 40.48 1n6m n PHE 398 CO 0.00 0.00 0.00 -0.25 1.01 0.00 0.00 176.76 177.52 1n6m n ASP 399 N -1.82 0.81 -3.63 4.37 8.00 0.03 -4.63 116.55 119.67 1n6m n ASP 399 Ca -0.01 0.60 -0.07 0.00 0.71 0.00 0.00 54.79 56.02 1n6m n ASP 399 Cb 0.42 -0.81 -0.06 0.00 -0.02 0.00 0.00 41.12 40.65 1n6m n ASP 399 CO 0.00 0.00 0.00 -1.58 -0.39 0.00 0.00 177.20 175.23 1n6m s GLN 400 N -3.16 0.35 -0.09 -1.24 2.00 -1.23 -4.83 119.66 111.46 1n6m s GLN 400 Ca 0.09 0.30 0.03 0.00 -2.00 0.00 0.00 55.36 53.78 1n6m s GLN 400 Cb 0.11 0.17 0.00 0.00 0.80 0.00 0.00 33.01 34.10 1n6m s GLN 400 CO 0.55 -0.07 -0.20 0.08 -0.50 0.00 0.00 175.29 175.15 1n6m s VAL 401 N -0.23 1.80 -0.24 1.34 1.01 0.17 -1.31 120.40 122.94 1n6m s VAL 401 Ca 0.04 -0.86 -0.07 0.00 0.00 0.00 0.00 61.98 61.08 1n6m s VAL 401 Cb -0.04 -1.58 -0.03 0.00 0.00 0.00 0.00 36.38 34.74 1n6m s VAL 401 CO -0.07 0.50 0.07 -0.36 0.00 0.00 0.00 175.10 175.24 1n6m s PHE 402 N 0.48 3.10 0.80 5.22 0.40 0.11 -4.82 117.98 123.26 1n6m s PHE 402 Ca -0.17 -0.37 -0.13 0.00 -0.60 0.00 0.00 56.93 55.66 1n6m s PHE 402 Cb -0.17 -2.22 0.08 0.00 0.51 0.00 0.00 43.02 41.22 1n6m s PHE 402 CO 0.06 -0.31 1.17 -1.58 0.70 0.00 0.00 175.22 175.27 1n6m s HIS 403 N 1.48 1.96 -0.49 0.36 2.46 -1.26 -2.35 115.29 117.44 1n6m s HIS 403 Ca 0.06 1.66 0.17 0.00 0.47 0.00 0.00 55.06 57.42 1n6m s HIS 403 Cb -0.15 -3.38 0.85 0.00 -0.13 0.00 0.00 32.58 29.76 1n6m s HIS 403 CO 0.04 -2.59 1.52 -0.35 -2.47 0.00 0.00 174.74 170.89 1n6m n PRO 404 N -3.32 0.11 -0.90 2.88 -0.04 -1.15 -1.45 135.00 131.13 1n6m n PRO 404 Ca 0.12 0.53 -0.05 0.00 -0.04 0.00 0.00 63.50 64.07 1n6m n PRO 404 Cb 0.51 -1.81 0.28 0.00 -0.04 0.00 0.00 33.50 32.44 1n6m n PRO 404 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 1n6m n LEU 405 N -2.04 5.60 -4.68 1.53 4.77 -1.26 -3.89 117.00 117.04 1n6m n LEU 405 Ca 0.00 -2.91 -0.40 0.00 -0.03 0.00 0.00 56.01 52.67 1n6m n LEU 405 Cb 0.08 -0.72 -0.05 0.00 -2.33 0.00 0.00 43.42 40.41 1n6m n LEU 405 CO 0.10 0.74 0.45 -0.44 -1.33 0.00 0.00 177.39 176.91 1n6m s SER 406 N -0.81 6.88 0.55 -1.43 0.01 -0.53 -5.04 113.70 113.33 1n6m s SER 406 Ca 0.48 1.07 -0.19 0.00 1.31 0.00 0.00 55.95 58.62 1n6m s SER 406 Cb 0.39 -2.40 -0.05 0.00 0.21 0.00 0.00 66.02 64.16 1n6m s SER 406 CO 0.12 -0.25 1.10 -0.94 0.41 0.00 0.00 173.24 173.69 1n6m s SER 407 N 1.03 5.78 0.62 2.44 1.04 -1.26 -4.90 113.70 118.44 1n6m s SER 407 Ca 0.35 2.07 0.31 0.00 0.48 0.00 0.00 55.95 59.16 1n6m s SER 407 Cb -0.17 -2.57 1.75 0.00 0.10 0.00 0.00 66.02 65.14 1n6m s SER 407 CO 0.14 -1.18 2.09 1.56 0.98 0.00 0.00 173.24 176.83 1n6m h GLN 408 N 1.06 0.00 0.08 4.02 1.08 -1.96 0.17 115.11 119.55 1n6m h GLN 408 Ca -0.49 0.00 -0.26 0.00 -1.45 0.00 0.00 58.65 56.45 1n6m h GLN 408 Cb 1.25 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 28.67 1n6m h GLN 408 CO 0.57 0.00 -1.22 1.03 -0.95 0.00 0.00 178.83 178.26 1n6m h SER 409 N 0.00 0.26 -0.55 1.46 0.87 -1.91 -2.85 113.55 110.83 1n6m h SER 409 Ca 0.07 -0.29 -0.06 0.00 -1.23 0.00 0.00 61.79 60.28 1n6m h SER 409 Cb 0.51 -0.08 -0.02 0.00 -0.44 0.00 0.00 62.40 62.37 1n6m h SER 409 CO -0.00 1.23 0.12 0.44 -0.53 0.00 0.00 176.83 178.09 1n6m h ASP 410 N 0.04 0.85 0.05 6.23 3.45 -1.04 -1.87 116.42 124.14 1n6m h ASP 410 Ca -0.11 -0.24 -0.00 0.00 0.43 0.00 0.00 57.03 57.10 1n6m h ASP 410 Cb 1.91 -0.23 0.00 0.00 -0.56 0.00 0.00 39.33 40.46 1n6m h ASP 410 CO 0.17 0.88 -0.02 0.40 -1.57 0.00 0.00 179.24 179.09 1n6m h ILE 411 N 0.79 0.00 -1.30 0.35 1.08 -1.46 -3.09 117.51 113.88 1n6m h ILE 411 Ca 0.17 -0.01 0.38 0.00 -0.39 0.00 0.00 64.86 65.01 1n6m h ILE 411 Cb 0.37 0.00 -0.05 0.00 -3.07 0.00 0.00 36.82 34.07 1n6m h ILE 411 CO 0.01 0.00 1.05 0.15 -0.69 0.00 0.00 178.15 178.66 1n6m h PHE 412 N -0.07 0.00 0.00 1.37 3.57 -1.56 0.24 116.94 120.49 1n6m h PHE 412 Ca -0.01 0.00 -0.00 0.00 3.53 0.00 0.00 57.97 61.49 1n6m h PHE 412 Cb 0.05 0.00 -0.00 0.00 2.79 0.00 0.00 35.95 38.79 1n6m h PHE 412 CO 0.18 0.00 -0.02 1.49 -2.23 0.00 0.00 178.31 177.73 1n6m h GLU 413 N 0.00 0.00 0.05 1.11 4.81 -1.25 0.52 114.58 119.82 1n6m h GLU 413 Ca 0.62 0.00 -0.28 0.00 -0.13 0.00 0.00 59.36 59.57 1n6m h GLU 413 Cb 2.70 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 32.06 1n6m h GLU 413 CO -0.01 0.02 -1.45 1.98 -0.73 0.00 0.00 179.01 178.82 1n6m h MET 414 N 0.00 0.10 -0.07 1.92 4.05 -0.62 -3.35 114.93 116.97 1n6m h MET 414 Ca -0.00 -0.17 -0.11 0.00 -0.28 0.00 0.00 59.70 59.14 1n6m h MET 414 Cb 0.08 0.06 0.01 0.00 -0.80 0.00 0.00 31.60 30.95 1n6m h MET 414 CO 0.00 0.89 -0.39 0.28 0.23 0.00 0.00 176.91 177.93 1n6m h VAL 415 N 0.03 1.41 -0.14 -5.77 2.07 -1.10 -3.37 116.25 109.39 1n6m h VAL 415 Ca -0.20 -1.78 0.01 0.00 0.82 0.00 0.00 66.70 65.56 1n6m h VAL 415 Cb 1.95 2.31 -0.02 0.00 -1.52 0.00 0.00 31.29 34.01 1n6m h VAL 415 CO 0.12 0.52 -0.08 -0.24 0.02 0.00 0.00 177.57 177.91 1n6m n SER 416 N -4.36 -0.15 -0.10 0.57 2.88 0.16 0.58 113.62 113.21 1n6m n SER 416 Ca -0.08 0.31 0.26 0.00 -1.33 0.00 0.00 58.87 58.02 1n6m n SER 416 Cb 0.54 -0.06 0.57 0.00 -0.75 0.00 0.00 64.21 64.50 1n6m n SER 416 CO 0.00 0.00 0.00 -0.65 -1.23 0.00 0.00 175.04 173.16 1n6m h PRO 417 N 0.00 0.00 0.00 -1.46 0.11 -1.79 0.43 132.00 129.29 1n6m h PRO 417 Ca 0.02 0.00 -0.23 0.00 0.11 0.00 0.00 66.00 65.91 1n6m h PRO 417 Cb 0.06 0.00 -0.04 0.00 0.11 0.00 0.00 31.00 31.13 1n6m h PRO 417 CO -0.13 0.00 -1.28 -0.07 -0.21 0.00 0.00 178.00 176.31 1n6m h LEU 418 N 0.00 0.00 -0.09 2.35 3.38 -0.13 -3.24 115.31 117.58 1n6m h LEU 418 Ca 0.38 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.34 1n6m h LEU 418 Cb 2.22 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 42.97 1n6m h LEU 418 CO -0.00 0.90 -0.01 0.40 0.09 0.00 0.00 178.44 179.82 1n6m h ILE 419 N 0.00 1.26 0.00 1.22 5.03 -0.96 -2.40 117.51 121.66 1n6m h ILE 419 Ca -0.14 -0.84 0.00 0.00 -0.12 0.00 0.00 64.86 63.77 1n6m h ILE 419 Cb 1.81 1.63 0.00 0.00 -3.03 0.00 0.00 36.82 37.23 1n6m h ILE 419 CO 0.09 0.24 0.00 1.56 -0.68 0.00 0.00 178.15 179.36 1n6m h GLN 420 N -0.12 0.00 0.01 2.37 4.20 -1.68 -1.54 115.11 118.34 1n6m h GLN 420 Ca 0.03 0.00 -0.21 0.00 0.06 0.00 0.00 58.65 58.53 1n6m h GLN 420 Cb 0.37 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 28.12 1n6m h GLN 420 CO 0.01 0.00 -0.98 1.03 -0.67 0.00 0.00 178.83 178.22 1n6m h SER 421 N 0.00 0.03 -0.86 1.46 0.87 -1.45 -3.29 113.55 110.30 1n6m h SER 421 Ca 0.00 -0.03 0.02 0.00 -1.23 0.00 0.00 61.79 60.55 1n6m h SER 421 Cb 0.15 -0.01 -0.05 0.00 -0.44 0.00 0.00 62.40 62.05 1n6m h SER 421 CO 0.00 0.99 0.57 0.00 -0.53 0.00 0.00 176.83 177.85 1n6m h ALA 422 N 1.01 1.10 0.00 6.23 0.00 -1.07 -0.63 119.26 125.90 1n6m h ALA 422 Ca -0.02 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.84 1n6m h ALA 422 Cb 1.72 -0.34 0.00 0.00 0.00 0.00 0.00 17.79 19.17 1n6m h ALA 422 CO 0.13 0.47 0.00 1.28 0.00 0.00 0.00 179.25 181.13 1n6m n LEU 423 N -4.50 0.00 -0.97 0.00 4.32 -1.24 -1.12 117.00 113.50 1n6m n LEU 423 Ca 0.10 0.23 0.09 0.00 -0.02 0.00 0.00 56.01 56.41 1n6m n LEU 423 Cb 0.03 -0.23 0.21 0.00 -1.62 0.00 0.00 43.42 41.81 1n6m n LEU 423 CO 0.36 -0.13 0.67 0.47 -1.22 0.00 0.00 177.39 177.54 1n6m n ASP 424 N -1.23 3.29 0.00 -1.43 9.92 -0.25 -4.98 116.55 121.87 1n6m n ASP 424 Ca 0.07 -1.95 0.00 0.00 -0.53 0.00 0.00 54.79 52.38 1n6m n ASP 424 Cb 0.10 -0.30 0.00 0.00 -0.64 0.00 0.00 41.12 40.28 1n6m n ASP 424 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1n6m n GLY 425 N 1.11 0.66 4.00 0.44 0.00 -0.27 -5.05 105.19 106.08 1n6m n GLY 425 Ca 0.17 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.98 1n6m n GLY 425 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1n6m s TYR 426 N -2.00 1.86 -0.46 1.61 2.02 -1.20 -4.63 117.35 114.55 1n6m s TYR 426 Ca 0.00 -0.38 0.00 0.00 -0.37 0.00 0.00 57.07 56.33 1n6m s TYR 426 Cb 0.00 -2.67 0.12 0.00 -0.40 0.00 0.00 41.96 39.01 1n6m s TYR 426 CO 0.00 -1.29 0.23 -0.80 -1.57 0.00 0.00 175.55 172.11 1n6m s ASN 427 N -4.63 4.95 0.48 2.29 -0.87 -1.26 -2.70 114.94 113.19 1n6m s ASN 427 Ca 0.62 -2.43 -0.20 0.00 -1.57 0.00 0.00 52.86 49.29 1n6m s ASN 427 Cb -0.07 -1.75 -0.09 0.00 -0.02 0.00 0.00 41.25 39.33 1n6m s ASN 427 CO 0.41 -0.40 1.00 -0.63 -2.57 0.00 0.00 177.10 174.90 1n6m s ILE 428 N 0.55 4.12 -0.20 0.60 1.09 -1.25 -3.25 121.20 122.85 1n6m s ILE 428 Ca 0.12 1.25 -0.04 0.00 -1.10 0.00 0.00 60.65 60.88 1n6m s ILE 428 Cb -0.22 -3.54 0.09 0.00 -1.06 0.00 0.00 42.46 37.73 1n6m s ILE 428 CO -0.04 -0.35 0.18 0.00 -0.10 0.00 0.00 174.94 174.63 1n6m s ILE 430 N 2.26 5.11 0.17 0.00 -1.09 -1.23 0.91 121.20 127.33 1n6m s ILE 430 Ca 0.06 0.07 0.08 0.00 -2.23 0.00 0.00 60.65 58.63 1n6m s ILE 430 Cb -0.16 -3.27 -0.04 0.00 -1.58 0.00 0.00 42.46 37.41 1n6m s ILE 430 CO -0.14 0.52 -0.16 -0.36 -1.23 0.00 0.00 174.94 173.58 1n6m s PHE 431 N -0.22 1.69 -0.05 3.97 0.08 -0.10 -0.42 117.98 122.92 1n6m s PHE 431 Ca 0.09 -0.53 0.02 0.00 0.12 0.00 0.00 56.93 56.64 1n6m s PHE 431 Cb -0.12 -0.83 0.01 0.00 -0.57 0.00 0.00 43.02 41.52 1n6m s PHE 431 CO 0.01 0.30 -0.10 0.00 -0.10 0.00 0.00 175.22 175.33 1n6m s ALA 432 N -2.43 1.09 0.02 5.36 0.00 -1.10 -1.06 121.76 123.64 1n6m s ALA 432 Ca 0.17 -0.33 0.00 0.00 0.00 0.00 0.00 51.96 51.80 1n6m s ALA 432 Cb -0.04 -0.49 -0.02 0.00 0.00 0.00 0.00 23.12 22.57 1n6m s ALA 432 CO 0.06 0.10 -0.03 -0.47 0.00 0.00 0.00 175.76 175.43 1n6m s TYR 433 N 0.61 0.22 0.00 0.00 5.04 -0.03 -3.05 117.35 120.14 1n6m s TYR 433 Ca -0.12 -0.41 0.00 0.00 -2.44 0.00 0.00 57.07 54.10 1n6m s TYR 433 Cb -0.14 -0.16 0.00 0.00 0.35 0.00 0.00 41.96 42.01 1n6m s TYR 433 CO 0.02 -0.14 0.00 0.41 -1.34 0.00 0.00 175.55 174.50 1n6m n GLY 434 N 1.93 0.56 2.40 8.97 0.00 -1.26 0.20 105.19 117.99 1n6m n GLY 434 Ca -0.21 -1.58 -0.18 0.00 0.00 0.00 0.00 46.02 44.05 1n6m n GLY 434 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1n6m n GLN 435 N -1.47 -0.71 -2.66 1.61 10.64 -1.26 -0.39 117.38 123.15 1n6m n GLN 435 Ca 0.00 -1.32 -0.41 0.00 -1.83 0.00 0.00 57.00 53.44 1n6m n GLN 435 Cb 0.00 -0.81 -0.04 0.00 -0.86 0.00 0.00 30.24 28.54 1n6m n GLN 435 CO 0.00 0.00 0.00 0.99 -1.83 0.00 0.00 177.06 176.22 1n6m s THR 436 N -2.70 4.39 0.00 -0.39 2.01 -1.26 -3.35 115.64 114.33 1n6m s THR 436 Ca 0.46 1.92 0.00 0.00 0.31 0.00 0.00 61.69 64.39 1n6m s THR 436 Cb -0.01 -4.23 0.00 0.00 0.01 0.00 0.00 72.50 68.27 1n6m s THR 436 CO 0.32 0.27 0.00 0.61 -0.69 0.00 0.00 174.62 175.13 1n6m n GLY 437 N 2.39 0.65 0.09 4.40 0.00 -1.26 -4.99 105.19 106.47 1n6m n GLY 437 Ca 0.04 -0.72 -0.15 0.00 0.00 0.00 0.00 46.02 45.19 1n6m n GLY 437 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1n6m n SER 438 N 1.37 1.87 0.00 1.61 7.64 -1.21 -4.80 113.62 120.10 1n6m n SER 438 Ca 0.00 0.48 0.00 0.00 1.01 0.00 0.00 58.87 60.36 1n6m n SER 438 Cb 0.08 -0.88 0.00 0.00 -1.01 0.00 0.00 64.21 62.41 1n6m n SER 438 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1n6m n GLY 439 N 1.48 -0.35 0.00 0.23 0.00 -1.26 -4.38 105.19 100.90 1n6m n GLY 439 Ca -0.23 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.79 1n6m n GLY 439 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1n6m n LYS 440 N 0.00 0.00 -0.19 1.61 5.02 -1.26 -0.72 118.16 122.62 1n6m n LYS 440 Ca 0.00 0.60 0.00 0.00 -2.02 0.00 0.00 58.31 56.89 1n6m n LYS 440 Cb 0.00 -1.48 0.10 0.00 -0.02 0.00 0.00 35.03 33.63 1n6m n LYS 440 CO 0.00 0.00 0.00 1.15 -0.52 0.00 0.00 177.40 178.03 1n6m h THR 441 N 0.00 0.68 -0.04 -0.18 2.02 -1.95 0.14 112.91 113.57 1n6m h THR 441 Ca 0.00 -0.10 0.01 0.00 0.77 0.00 0.00 66.41 67.10 1n6m h THR 441 Cb 0.00 0.37 -0.00 0.00 -1.74 0.00 0.00 68.15 66.78 1n6m h THR 441 CO 0.00 0.05 0.04 0.22 0.37 0.00 0.00 175.52 176.20 1n6m h TYR 442 N 0.28 0.00 0.00 3.16 5.03 -1.85 0.12 116.97 123.71 1n6m h TYR 442 Ca 0.30 0.00 -0.12 0.00 2.58 0.00 0.00 58.73 61.50 1n6m h TYR 442 Cb 0.43 0.00 -0.02 0.00 1.55 0.00 0.00 36.73 38.69 1n6m h TYR 442 CO -0.23 0.00 -0.66 1.15 -1.32 0.00 0.00 178.16 177.10 1n6m h THR 443 N 0.00 1.17 0.17 1.81 2.02 0.14 -3.06 112.91 115.17 1n6m h THR 443 Ca 0.02 -2.13 -0.01 0.00 0.77 0.00 0.00 66.41 65.06 1n6m h THR 443 Cb 0.10 2.46 0.00 0.00 -1.74 0.00 0.00 68.15 68.98 1n6m h THR 443 CO -0.00 0.40 -0.08 0.24 0.37 0.00 0.00 175.52 176.45 1n6m h MET 444 N -1.00 -0.22 0.00 6.66 2.86 -0.82 -2.51 114.93 119.90 1n6m h MET 444 Ca -0.18 0.02 0.00 0.00 -2.06 0.00 0.00 59.70 57.48 1n6m h MET 444 Cb 1.08 0.05 0.00 0.00 0.06 0.00 0.00 31.60 32.79 1n6m h MET 444 CO -0.11 0.04 0.00 -0.25 1.06 0.00 0.00 176.91 177.65 1n6m n ASP 445 N -5.08 0.00 0.00 1.22 10.43 0.39 -0.02 116.55 123.48 1n6m n ASP 445 Ca -0.09 0.00 0.00 0.00 2.57 0.00 0.00 54.79 57.27 1n6m n ASP 445 Cb 0.20 0.00 0.00 0.00 1.84 0.00 0.00 41.12 43.16 1n6m n ASP 445 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 1n6m n GLY 446 N 2.59 0.29 3.13 0.44 0.00 -1.01 0.10 105.19 110.74 1n6m n GLY 446 Ca 0.00 -2.16 -0.23 0.00 0.00 0.00 0.00 46.02 43.63 1n6m n GLY 446 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1n6m s VAL 447 N 0.00 1.22 0.59 1.61 -7.23 0.94 -4.80 120.40 112.73 1n6m s VAL 447 Ca 0.00 -0.66 0.31 0.00 -1.81 0.00 0.00 61.98 59.82 1n6m s VAL 447 Cb 0.00 -1.01 0.45 0.00 0.56 0.00 0.00 36.38 36.37 1n6m s VAL 447 CO 0.00 0.34 1.55 1.55 -0.31 0.00 0.00 175.10 178.23 1n6m h PRO 448 N 5.75 0.00 0.14 4.82 0.13 -2.00 1.67 132.00 142.52 1n6m h PRO 448 Ca -0.35 0.00 -0.30 0.00 -0.87 0.00 0.00 66.00 64.48 1n6m h PRO 448 Cb 1.16 0.00 0.03 0.00 0.13 0.00 0.00 31.00 32.31 1n6m h PRO 448 CO 0.49 0.00 -1.28 1.05 -0.23 0.00 0.00 178.00 178.03 1n6m h GLU 449 N 0.00 0.55 -4.17 0.86 4.11 -2.03 -3.42 114.58 110.49 1n6m h GLU 449 Ca 0.48 -0.79 -0.62 0.00 0.07 0.00 0.00 59.36 58.50 1n6m h GLU 449 Cb 2.48 0.27 -0.39 0.00 0.50 0.00 0.00 28.75 31.61 1n6m h GLU 449 CO -0.01 1.36 -0.75 -1.12 0.07 0.00 0.00 179.01 178.56 1n6m s SER 450 N -7.41 4.22 0.42 3.06 0.01 0.57 -5.12 113.70 109.45 1n6m s SER 450 Ca -0.08 -1.68 -0.23 0.00 1.31 0.00 0.00 55.95 55.26 1n6m s SER 450 Cb 0.06 -1.21 -0.08 0.00 0.21 0.00 0.00 66.02 64.99 1n6m s SER 450 CO 0.93 -0.35 1.08 0.68 0.41 0.00 0.00 173.24 175.99 1n6m s VAL 451 N 1.31 3.55 0.00 3.43 -7.23 -1.13 -0.04 120.40 120.29 1n6m s VAL 451 Ca 0.06 1.16 0.00 0.00 -1.81 0.00 0.00 61.98 61.39 1n6m s VAL 451 Cb -0.18 -3.59 0.00 0.00 0.56 0.00 0.00 36.38 33.17 1n6m s VAL 451 CO -0.14 -0.02 0.00 0.61 -0.31 0.00 0.00 175.10 175.25 1n6m n GLY 452 N 0.33 2.38 0.26 2.32 0.00 0.28 -4.82 105.19 105.94 1n6m n GLY 452 Ca 0.06 -1.95 -0.14 0.00 0.00 0.00 0.00 46.02 43.99 1n6m n GLY 452 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1n6m h VAL 453 N 0.00 0.52 -0.56 1.61 2.07 -1.06 -1.38 116.25 117.44 1n6m h VAL 453 Ca 0.00 -0.43 0.11 0.00 0.82 0.00 0.00 66.70 67.21 1n6m h VAL 453 Cb 0.00 0.70 -0.10 0.00 -1.52 0.00 0.00 31.29 30.37 1n6m h VAL 453 CO 0.00 0.07 -0.10 0.40 0.02 0.00 0.00 177.57 177.96 1n6m h ILE 454 N -0.85 0.46 0.58 4.57 2.04 -0.70 0.18 117.51 123.79 1n6m h ILE 454 Ca -0.06 -0.01 -0.03 0.00 1.00 0.00 0.00 64.86 65.76 1n6m h ILE 454 Cb 0.56 0.43 0.01 0.00 -0.74 0.00 0.00 36.82 37.07 1n6m h ILE 454 CO 0.10 0.01 -0.28 -0.65 0.00 0.00 0.00 178.15 177.32 1n6m h PRO 455 N 0.03 -0.75 -1.00 2.37 0.11 -1.76 -3.26 132.00 127.74 1n6m h PRO 455 Ca 0.28 0.05 0.38 0.00 0.11 0.00 0.00 66.00 66.81 1n6m h PRO 455 Cb 0.43 0.17 -0.17 0.00 0.11 0.00 0.00 31.00 31.54 1n6m h PRO 455 CO -0.55 -0.50 0.51 0.00 -0.21 0.00 0.00 178.00 177.25 1n6m h ARG 456 N -1.07 0.10 0.00 1.05 3.08 -0.85 -1.37 114.38 115.33 1n6m h ARG 456 Ca -0.08 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 59.96 1n6m h ARG 456 Cb 0.60 -0.02 0.00 0.00 0.08 0.00 0.00 29.97 30.62 1n6m h ARG 456 CO 0.13 0.06 0.00 0.25 -1.07 0.00 0.00 179.97 179.35 1n6m n THR 457 N -5.21 0.00 0.00 2.04 -2.24 0.59 -2.92 114.28 106.54 1n6m n THR 457 Ca 0.35 1.33 0.00 0.00 -2.27 0.00 0.00 64.05 63.46 1n6m n THR 457 Cb 1.15 -2.19 0.00 0.00 -2.10 0.00 0.00 70.33 67.19 1n6m n THR 457 CO 0.00 0.00 0.00 0.52 -0.57 0.00 0.00 175.07 175.02 1n6m n VAL 458 N -1.74 0.00 -0.25 2.28 0.31 -0.52 0.99 118.33 119.40 1n6m n VAL 458 Ca 0.00 0.00 -0.07 0.00 -0.01 0.00 0.00 64.34 64.26 1n6m n VAL 458 Cb 0.00 0.00 -0.06 0.00 -0.91 0.00 0.00 33.84 32.87 1n6m n VAL 458 CO 0.00 0.00 0.00 0.47 -1.32 0.00 0.00 176.83 175.98 1n6m n ASP 459 N -2.19 -0.64 -0.11 4.52 9.92 -1.15 -0.51 116.55 126.39 1n6m n ASP 459 Ca 0.00 1.39 -0.02 0.00 -0.53 0.00 0.00 54.79 55.62 1n6m n ASP 459 Cb 0.00 -0.29 0.22 0.00 -0.64 0.00 0.00 41.12 40.41 1n6m n ASP 459 CO 0.00 0.00 0.00 0.25 0.13 0.00 0.00 177.20 177.58 1n6m h LEU 460 N 0.00 0.72 -1.30 0.64 5.85 0.64 -1.74 115.31 120.12 1n6m h LEU 460 Ca 0.10 -0.12 0.20 0.00 0.84 0.00 0.00 57.88 58.90 1n6m h LEU 460 Cb 0.25 -0.19 -0.08 0.00 0.37 0.00 0.00 40.66 41.01 1n6m h LEU 460 CO -0.57 0.71 0.61 0.25 -0.34 0.00 0.00 178.44 179.10 1n6m h LEU 461 N 0.75 0.57 0.00 2.25 5.85 0.58 -1.31 115.31 124.00 1n6m h LEU 461 Ca 0.17 0.06 -0.04 0.00 0.84 0.00 0.00 57.88 58.92 1n6m h LEU 461 Cb 0.28 -0.04 -0.01 0.00 0.37 0.00 0.00 40.66 41.26 1n6m h LEU 461 CO -0.00 0.21 -0.24 -0.26 -0.34 0.00 0.00 178.44 177.82 1n6m h PHE 462 N 0.56 0.00 0.00 1.25 0.04 -0.81 -3.24 116.94 114.74 1n6m h PHE 462 Ca 0.52 0.00 0.00 0.00 2.80 0.00 0.00 57.97 61.29 1n6m h PHE 462 Cb 1.07 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.22 1n6m h PHE 462 CO -0.00 0.75 0.37 -0.25 -0.60 0.00 0.00 178.31 178.58 1n6m n ASP 463 N -4.63 0.10 -0.05 2.17 8.00 -0.70 0.14 116.55 121.58 1n6m n ASP 463 Ca -0.11 0.31 -0.22 0.00 0.71 0.00 0.00 54.79 55.48 1n6m n ASP 463 Cb 0.38 -0.26 -0.13 0.00 -0.02 0.00 0.00 41.12 41.09 1n6m n ASP 463 CO 0.00 0.00 0.00 0.28 -0.39 0.00 0.00 177.20 177.09 1n6m h SER 464 N 0.00 0.20 0.24 -2.24 0.02 -1.33 -3.35 113.55 107.09 1n6m h SER 464 Ca 0.00 -0.72 -0.03 0.00 -0.84 0.00 0.00 61.79 60.21 1n6m h SER 464 Cb 0.73 -0.06 -0.00 0.00 0.14 0.00 0.00 62.40 63.21 1n6m h SER 464 CO 0.00 1.65 -0.12 0.40 -1.14 0.00 0.00 176.83 177.62 1n6m h ILE 465 N -0.52 0.78 0.00 3.27 2.04 0.12 0.33 117.51 123.53 1n6m h ILE 465 Ca -0.37 -0.48 0.00 0.00 1.00 0.00 0.00 64.86 65.01 1n6m h ILE 465 Cb 1.63 1.28 0.00 0.00 -0.74 0.00 0.00 36.82 39.00 1n6m h ILE 465 CO -0.07 0.12 0.00 -2.11 0.00 0.00 0.00 178.15 176.09 1n6m n ARG 466 N -3.94 0.59 -0.01 2.37 1.85 -0.28 -1.95 116.66 115.29 1n6m n ARG 466 Ca -0.02 0.00 0.03 0.00 -1.00 0.00 0.00 57.85 56.86 1n6m n ARG 466 Cb 0.21 -1.49 -0.06 0.00 -1.05 0.00 0.00 32.46 30.07 1n6m n ARG 466 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 1n6m n GLY 467 N 0.17 -0.36 0.35 2.89 0.00 0.11 -4.45 105.19 103.90 1n6m n GLY 467 Ca 0.14 -0.18 0.12 0.00 0.00 0.00 0.00 46.02 46.10 1n6m n GLY 467 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1n6m n TYR 468 N -1.84 0.00 -1.54 1.61 4.01 -0.92 -3.94 117.16 114.54 1n6m n TYR 468 Ca -0.03 0.00 -0.36 0.00 -0.16 0.00 0.00 57.90 57.35 1n6m n TYR 468 Cb 0.27 -0.07 0.07 0.00 -0.31 0.00 0.00 39.34 39.30 1n6m n TYR 468 CO 0.00 0.00 0.00 0.54 -0.46 0.00 0.00 176.86 176.94 1n6m n ARG 469 N -0.39 2.74 0.00 -0.72 1.74 -0.82 -1.86 116.66 117.34 1n6m n ARG 469 Ca 0.11 -3.39 0.00 0.00 -0.77 0.00 0.00 57.85 53.80 1n6m n ARG 469 Cb 0.40 -2.28 0.00 0.00 -1.02 0.00 0.00 32.46 29.55 1n6m n ARG 469 CO 0.00 0.00 0.00 -1.71 -1.52 0.00 0.00 177.63 174.40 1n6m n ASN 470 N -0.79 0.00 -0.30 0.55 5.15 -1.25 -4.61 115.26 114.01 1n6m n ASN 470 Ca 0.59 0.00 0.13 0.00 -0.60 0.00 0.00 54.58 54.70 1n6m n ASN 470 Cb 0.53 -0.40 0.35 0.00 -0.53 0.00 0.00 39.78 39.73 1n6m n ASN 470 CO 0.00 0.00 0.00 -0.11 1.40 0.00 0.00 177.26 178.55 1n6m n LEU 471 N -2.40 1.18 0.00 1.20 -0.00 -1.26 -4.99 117.00 110.72 1n6m n LEU 471 Ca 0.00 -0.34 0.00 0.00 -0.00 0.00 0.00 56.01 55.67 1n6m n LEU 471 Cb 0.00 -0.10 0.00 0.00 -0.00 0.00 0.00 43.42 43.32 1n6m n LEU 471 CO 0.00 0.22 0.00 0.61 -0.00 0.00 0.00 177.39 178.22 1n6m n GLY 472 N 1.33 3.35 0.00 -3.96 0.00 -1.25 -4.75 105.19 99.91 1n6m n GLY 472 Ca 0.13 -1.22 0.00 0.00 0.00 0.00 0.00 46.02 44.93 1n6m n GLY 472 CO 0.00 0.00 0.00 1.87 0.00 0.00 0.00 173.32 175.19 1n6m n TRP 473 N 0.50 0.00 -4.69 1.61 -0.00 -0.78 -1.64 117.44 112.44 1n6m n TRP 473 Ca 0.00 0.00 -0.26 0.00 -0.00 0.00 0.00 57.50 57.24 1n6m n TRP 473 Cb 0.00 0.00 -0.14 0.00 -0.00 0.00 0.00 31.31 31.17 1n6m n TRP 473 CO 0.00 0.00 0.00 -1.21 -0.00 0.00 0.00 177.69 176.48 1n6m s GLU 474 N -1.01 1.43 0.11 5.87 0.41 -0.68 -4.23 118.70 120.59 1n6m s GLU 474 Ca 0.00 -0.92 0.08 0.00 -0.41 0.00 0.00 54.97 53.72 1n6m s GLU 474 Cb 0.00 -1.53 -0.04 0.00 -1.78 0.00 0.00 34.13 30.79 1n6m s GLU 474 CO 0.00 0.39 -0.19 0.71 -0.49 0.00 0.00 175.26 175.68 1n6m s TYR 475 N -0.77 1.72 -0.27 1.61 2.02 -1.25 -1.94 117.35 118.47 1n6m s TYR 475 Ca 0.08 -0.44 -0.01 0.00 -0.37 0.00 0.00 57.07 56.33 1n6m s TYR 475 Cb -0.09 -0.92 0.08 0.00 -0.40 0.00 0.00 41.96 40.63 1n6m s TYR 475 CO 0.01 0.21 0.06 -2.00 -1.57 0.00 0.00 175.55 172.27 1n6m s GLU 476 N -2.12 0.86 -0.71 -0.62 2.56 -0.85 -4.97 118.70 112.85 1n6m s GLU 476 Ca 0.08 -0.93 -0.26 0.00 0.00 0.00 0.00 54.97 53.85 1n6m s GLU 476 Cb -0.09 -2.16 -0.00 0.00 2.00 0.00 0.00 34.13 33.88 1n6m s GLU 476 CO 0.04 -0.84 1.65 0.42 -0.56 0.00 0.00 175.26 175.97 1n6m s ILE 477 N 1.61 3.52 -0.88 -3.70 1.09 -1.26 -3.70 121.20 117.88 1n6m s ILE 477 Ca 0.05 0.15 -0.23 0.00 -1.10 0.00 0.00 60.65 59.52 1n6m s ILE 477 Cb -0.18 -4.35 0.06 0.00 -1.06 0.00 0.00 42.46 36.94 1n6m s ILE 477 CO -0.17 -1.30 1.27 -0.75 -0.10 0.00 0.00 174.94 173.89 1n6m s LYS 478 N 6.47 3.43 0.64 2.79 2.20 0.33 -1.36 119.74 134.23 1n6m s LYS 478 Ca 0.55 -1.00 -0.10 0.00 -0.36 0.00 0.00 55.97 55.07 1n6m s LYS 478 Cb -0.10 -4.82 -0.01 0.00 -1.51 0.00 0.00 37.83 31.39 1n6m s LYS 478 CO 0.15 -2.05 1.01 0.00 -0.36 0.00 0.00 175.35 174.09 1n6m s ALA 479 N 4.57 3.08 -0.16 3.13 0.00 -1.25 -1.35 121.76 129.78 1n6m s ALA 479 Ca 0.37 -0.36 -0.28 0.00 0.00 0.00 0.00 51.96 51.70 1n6m s ALA 479 Cb -0.05 -2.92 0.07 0.00 0.00 0.00 0.00 23.12 20.22 1n6m s ALA 479 CO -0.01 -0.87 0.70 0.99 0.00 0.00 0.00 175.76 176.57 1n6m s THR 480 N -3.18 0.00 -0.08 0.00 2.01 -0.17 -3.74 115.64 110.48 1n6m s THR 480 Ca 0.55 -0.00 -0.03 0.00 0.31 0.00 0.00 61.69 62.52 1n6m s THR 480 Cb -0.11 -1.00 0.05 0.00 0.01 0.00 0.00 72.50 71.45 1n6m s THR 480 CO 0.50 -0.00 0.17 -0.36 -0.69 0.00 0.00 174.62 174.24 1n6m s PHE 481 N -0.37 -0.19 0.00 4.92 0.40 -1.26 -2.54 117.98 118.93 1n6m s PHE 481 Ca -0.05 0.62 0.00 0.00 -0.60 0.00 0.00 56.93 56.89 1n6m s PHE 481 Cb -0.03 -0.21 0.00 0.00 0.51 0.00 0.00 43.02 43.29 1n6m s PHE 481 CO 0.05 -0.26 0.00 1.47 0.70 0.00 0.00 175.22 177.18 1n6m n LEU 482 N 5.13 0.00 0.00 -0.37 -0.00 -1.25 -2.43 117.00 118.08 1n6m n LEU 482 Ca -0.09 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 55.92 1n6m n LEU 482 Cb 0.50 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.92 1n6m n LEU 482 CO 0.07 0.00 0.00 1.21 -0.00 0.00 0.00 177.39 178.67 1n6m n GLU 483 N 0.00 -2.78 -3.67 1.47 2.13 -1.26 -4.12 120.64 112.41 1n6m n GLU 483 Ca 0.00 0.00 -0.12 0.00 0.66 0.00 0.00 57.16 57.70 1n6m n GLU 483 Cb 0.00 0.00 -0.06 0.00 0.27 0.00 0.00 31.44 31.65 1n6m n GLU 483 CO 0.00 0.00 0.00 0.42 -0.41 0.00 0.00 177.13 177.14 1n6m s ILE 484 N -2.14 0.06 0.01 6.31 1.01 -1.20 -3.34 121.20 121.92 1n6m s ILE 484 Ca 0.00 -0.52 0.00 0.00 0.00 0.00 0.00 60.65 60.13 1n6m s ILE 484 Cb 0.00 -1.00 0.00 0.00 0.01 0.00 0.00 42.46 41.47 1n6m s ILE 484 CO 0.00 -0.29 0.00 0.00 0.00 0.00 0.00 174.94 174.65 1n6m n TYR 485 N 0.36 -0.09 -3.03 3.97 9.36 -1.26 -2.50 117.16 123.96 1n6m n TYR 485 Ca -0.18 0.02 -0.21 0.00 3.32 0.00 0.00 57.90 60.84 1n6m n TYR 485 Cb 0.61 0.30 -0.03 0.00 -0.63 0.00 0.00 39.34 39.59 1n6m n TYR 485 CO 0.00 0.00 0.00 -1.71 0.22 0.00 0.00 176.86 175.37 1n6m n ASN 486 N -2.56 2.40 -1.77 2.98 2.85 -1.26 -4.63 115.26 113.27 1n6m n ASN 486 Ca 0.00 -3.28 -0.14 0.00 -0.11 0.00 0.00 54.58 51.05 1n6m n ASN 486 Cb 0.00 -0.59 0.00 0.00 1.24 0.00 0.00 39.78 40.44 1n6m n ASN 486 CO 0.00 0.00 0.00 -0.62 -2.11 0.00 0.00 177.26 174.53 1n6m n GLU 487 N 0.03 -1.90 -3.60 1.20 -0.58 -1.26 -4.99 120.64 109.55 1n6m n GLU 487 Ca 0.27 0.65 -0.29 0.00 -0.42 0.00 0.00 57.16 57.37 1n6m n GLU 487 Cb 0.57 -4.91 -0.13 0.00 -0.57 0.00 0.00 31.44 26.40 1n6m n GLU 487 CO 0.00 0.00 0.00 0.54 -0.48 0.00 0.00 177.13 177.19 1n6m s VAL 488 N -2.79 0.75 0.13 2.62 0.11 -1.26 -4.94 120.40 115.02 1n6m s VAL 488 Ca 0.07 -2.04 -0.31 0.00 -2.93 0.00 0.00 61.98 56.78 1n6m s VAL 488 Cb -0.03 -1.54 -0.09 0.00 -1.53 0.00 0.00 36.38 33.18 1n6m s VAL 488 CO 0.09 -0.92 1.59 -1.48 -3.33 0.00 0.00 175.10 171.05 1n6m s LEU 489 N 0.82 4.37 0.00 2.54 0.05 -1.26 -4.02 118.68 121.18 1n6m s LEU 489 Ca 0.17 2.56 0.00 0.00 0.05 0.00 0.00 54.13 56.91 1n6m s LEU 489 Cb -0.23 -3.58 0.00 0.00 -2.05 0.00 0.00 46.19 40.33 1n6m s LEU 489 CO -0.02 -0.84 0.00 -1.22 -0.55 0.00 0.00 176.35 173.72 1n6m n TYR 490 N 4.50 0.00 -3.65 3.48 0.53 -1.21 -5.00 117.16 115.81 1n6m n TYR 490 Ca 0.14 0.00 -0.11 0.00 -1.02 0.00 0.00 57.90 56.92 1n6m n TYR 490 Cb 0.39 0.00 -0.07 0.00 -1.03 0.00 0.00 39.34 38.63 1n6m n TYR 490 CO 0.00 0.00 0.00 0.34 -1.02 0.00 0.00 176.86 176.18 1n6m s ASP 491 N -0.61 -0.80 0.00 7.72 2.15 -1.26 -4.42 116.67 119.45 1n6m s ASP 491 Ca 0.00 1.40 0.28 0.00 0.43 0.00 0.00 52.55 54.66 1n6m s ASP 491 Cb 0.00 1.34 1.04 0.00 -0.30 0.00 0.00 42.92 45.00 1n6m s ASP 491 CO 0.00 -0.23 1.74 0.18 -0.17 0.00 0.00 175.17 176.69 1n6m n LEU 492 N 3.56 0.78 0.00 -1.34 4.77 -1.02 -4.50 117.00 119.25 1n6m n LEU 492 Ca -0.17 -0.15 0.00 0.00 -0.03 0.00 0.00 56.01 55.65 1n6m n LEU 492 Cb 0.57 -0.13 0.00 0.00 -2.33 0.00 0.00 43.42 41.53 1n6m n LEU 492 CO 0.02 0.14 0.00 0.18 -1.33 0.00 0.00 177.39 176.40 1n6m n LEU 493 N -0.72 0.08 -4.97 2.23 4.77 -1.26 -4.17 117.00 112.97 1n6m n LEU 493 Ca 0.14 0.03 -0.21 0.00 -0.03 0.00 0.00 56.01 55.94 1n6m n LEU 493 Cb 0.31 -0.35 0.01 0.00 -2.33 0.00 0.00 43.42 41.06 1n6m n LEU 493 CO 0.24 -0.35 0.21 -0.94 -1.33 0.00 0.00 177.39 175.22 1n6m s SER 494 N -3.03 5.85 -0.03 -1.43 1.04 -1.26 -5.00 113.70 109.83 1n6m s SER 494 Ca 0.00 0.10 0.08 0.00 0.48 0.00 0.00 55.95 56.62 1n6m s SER 494 Cb 0.00 -1.39 0.31 0.00 0.10 0.00 0.00 66.02 65.04 1n6m s SER 494 CO 0.00 -0.63 1.17 0.59 0.98 0.00 0.00 173.24 175.34 1n6m n ASN 495 N -1.94 2.16 -0.05 7.02 5.03 -1.26 -4.66 115.26 121.55 1n6m n ASN 495 Ca 0.01 -2.14 0.00 0.00 0.87 0.00 0.00 54.58 53.33 1n6m n ASN 495 Cb 0.58 -0.34 0.00 0.00 -1.02 0.00 0.00 39.78 39.00 1n6m n ASN 495 CO 0.00 0.00 0.00 -0.62 -1.83 0.00 0.00 177.26 174.81 1n6m n GLU 496 N 0.38 0.00 0.00 3.52 -0.58 -1.26 -5.09 120.64 117.61 1n6m n GLU 496 Ca 0.11 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.85 1n6m n GLU 496 Cb 0.40 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 31.27 1n6m n GLU 496 CO 0.00 0.00 0.00 2.41 -0.48 0.00 0.00 177.13 179.06 1n6m n THR 518 N 0.00 0.00 -3.65 2.62 -1.04 -1.26 -5.04 114.28 105.91 1n6m n THR 518 Ca 0.00 0.00 -0.37 0.00 -2.04 0.00 0.00 64.05 61.64 1n6m n THR 518 Cb 0.34 0.00 -0.11 0.00 -1.82 0.00 0.00 70.33 68.74 1n6m n THR 518 CO 0.00 0.00 0.00 -1.83 -0.64 0.00 0.00 175.07 172.60 1n6m s GLU 519 N 0.00 3.95 -0.18 -2.82 4.04 -1.26 -4.67 118.70 117.75 1n6m s GLU 519 Ca 0.00 -0.33 0.01 0.00 0.04 0.00 0.00 54.97 54.69 1n6m s GLU 519 Cb 0.00 -3.56 0.03 0.00 0.02 0.00 0.00 34.13 30.62 1n6m s GLU 519 CO 0.00 -0.09 -0.14 -1.83 -1.84 0.00 0.00 175.26 171.36 1n6m s GLU 520 N 1.48 2.35 1.21 -4.83 1.03 -1.25 -5.00 118.70 113.70 1n6m s GLU 520 Ca 0.07 -0.76 -0.16 0.00 0.03 0.00 0.00 54.97 54.15 1n6m s GLU 520 Cb -0.15 -2.36 0.26 0.00 -0.80 0.00 0.00 34.13 31.08 1n6m s GLU 520 CO 0.08 -0.32 0.70 0.25 -1.33 0.00 0.00 175.26 174.64 1n6m n THR 521 N 4.69 0.00 -5.01 1.83 -2.24 -1.26 -3.82 114.28 108.46 1n6m n THR 521 Ca -0.17 -0.38 -0.30 0.00 -2.27 0.00 0.00 64.05 60.94 1n6m n THR 521 Cb 0.48 -0.88 -0.17 0.00 -2.10 0.00 0.00 70.33 67.67 1n6m n THR 521 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 1n6m s VAL 522 N -2.30 1.76 -0.09 2.28 1.01 -0.46 -4.85 120.40 117.74 1n6m s VAL 522 Ca 0.64 -0.84 0.16 0.00 0.00 0.00 0.00 61.98 61.94 1n6m s VAL 522 Cb -0.20 -1.54 0.34 0.00 0.00 0.00 0.00 36.38 34.98 1n6m s VAL 522 CO 0.64 0.49 1.16 0.18 0.00 0.00 0.00 175.10 177.57 1n6m n LEU 523 N 3.62 1.66 -3.38 3.92 4.32 -1.26 -4.22 117.00 121.65 1n6m n LEU 523 Ca -0.20 -2.69 0.02 0.00 -0.02 0.00 0.00 56.01 53.12 1n6m n LEU 523 Cb 0.53 -0.25 -0.04 0.00 -1.62 0.00 0.00 43.42 42.04 1n6m n LEU 523 CO 0.27 0.81 0.55 -0.62 -1.22 0.00 0.00 177.39 177.19 1n6m s ASP 524 N -2.42 -0.66 0.18 -1.43 2.15 -1.26 -5.03 116.67 108.20 1n6m s ASP 524 Ca 0.30 0.81 -0.24 0.00 0.43 0.00 0.00 52.55 53.85 1n6m s ASP 524 Cb 0.31 1.71 0.07 0.00 -0.30 0.00 0.00 42.92 44.71 1n6m s ASP 524 CO -0.08 -0.13 1.57 -0.65 -0.17 0.00 0.00 175.17 175.71 1n6m h PRO 525 N 7.63 -0.16 0.00 4.34 0.11 -2.00 0.45 132.00 142.36 1n6m h PRO 525 Ca -0.16 0.01 -0.02 0.00 0.11 0.00 0.00 66.00 65.94 1n6m h PRO 525 Cb 1.12 0.04 -0.00 0.00 0.11 0.00 0.00 31.00 32.27 1n6m h PRO 525 CO 0.07 -0.11 -0.08 -0.97 -0.21 0.00 0.00 178.00 176.70 1n6m h ASN 526 N -0.17 0.00 -0.21 -2.05 -1.24 -1.98 -1.25 115.58 108.69 1n6m h ASN 526 Ca 0.21 0.00 -0.03 0.00 0.71 0.00 0.00 56.30 57.19 1n6m h ASN 526 Cb 0.56 0.00 -0.01 0.00 0.73 0.00 0.00 38.32 39.60 1n6m h ASN 526 CO -0.75 0.08 0.02 -0.74 -1.29 0.00 0.00 177.43 174.75 1n6m h HIS 527 N 0.00 0.39 -0.34 0.67 -0.00 -0.59 0.27 115.15 115.55 1n6m h HIS 527 Ca -0.00 -0.06 -0.06 0.00 -0.00 0.00 0.00 60.37 60.25 1n6m h HIS 527 Cb 0.31 -0.10 -0.02 0.00 -0.00 0.00 0.00 27.41 27.60 1n6m h HIS 527 CO 0.00 0.52 -0.04 1.25 -0.00 0.00 0.00 177.93 179.67 1n6m h LEU 528 N 0.14 0.51 -1.30 0.26 5.85 -0.47 -0.90 115.31 119.40 1n6m h LEU 528 Ca 0.06 -0.11 0.00 0.00 0.84 0.00 0.00 57.88 58.67 1n6m h LEU 528 Cb 0.36 -0.13 0.00 0.00 0.37 0.00 0.00 40.66 41.25 1n6m h LEU 528 CO 0.01 0.61 0.00 -0.09 -0.34 0.00 0.00 178.44 178.63 1n6m h ARG 529 N 0.51 0.00 0.00 1.25 2.43 -0.45 -2.87 114.38 115.25 1n6m h ARG 529 Ca 0.10 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.27 1n6m h ARG 529 Cb 0.39 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.94 1n6m h ARG 529 CO 0.02 0.00 -0.05 1.25 -1.51 0.00 0.00 179.97 179.67 1n6m h HIS 530 N 0.00 0.00 0.00 2.20 2.76 0.94 -2.90 115.15 118.15 1n6m h HIS 530 Ca 0.00 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.17 1n6m h HIS 530 Cb 0.52 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.48 1n6m h HIS 530 CO 0.00 0.00 0.22 1.37 -1.30 0.00 0.00 177.93 178.22 1n6m h LEU 531 N -0.61 0.00 0.17 0.26 8.10 -1.59 0.59 115.31 122.23 1n6m h LEU 531 Ca 0.00 0.00 -0.01 0.00 0.11 0.00 0.00 57.88 57.98 1n6m h LEU 531 Cb 0.05 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 40.28 1n6m h LEU 531 CO 0.00 0.00 -0.08 -0.03 -4.11 0.00 0.00 178.44 174.22 1n6m h MET 532 N 0.00 -0.22 0.00 0.17 4.05 -1.58 -1.34 114.93 116.01 1n6m h MET 532 Ca 0.00 0.01 -0.09 0.00 -0.28 0.00 0.00 59.70 59.34 1n6m h MET 532 Cb 0.45 0.05 -0.01 0.00 -0.80 0.00 0.00 31.60 31.28 1n6m h MET 532 CO 0.00 0.20 -0.44 0.45 0.23 0.00 0.00 176.91 177.35 1n6m h HIS 533 N -0.87 0.00 -0.16 1.39 3.86 -0.32 -0.34 115.15 118.71 1n6m h HIS 533 Ca -0.02 0.00 -0.00 0.00 -1.16 0.00 0.00 60.37 59.18 1n6m h HIS 533 Cb 0.52 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 28.98 1n6m h HIS 533 CO 0.08 0.44 0.09 1.15 0.86 0.00 0.00 177.93 180.55 1n6m h THR 534 N 0.00 1.09 -0.63 2.45 2.02 -0.04 0.24 112.91 118.04 1n6m h THR 534 Ca -0.00 -0.23 -0.01 0.00 0.77 0.00 0.00 66.41 66.93 1n6m h THR 534 Cb 0.83 0.95 -0.03 0.00 -1.74 0.00 0.00 68.15 68.16 1n6m h THR 534 CO 0.06 0.08 0.35 0.00 0.37 0.00 0.00 175.52 176.38 1n6m h ALA 535 N 1.00 0.81 -0.35 6.16 0.00 -0.81 1.74 119.26 127.80 1n6m h ALA 535 Ca 0.06 -0.10 0.05 0.00 0.00 0.00 0.00 54.91 54.92 1n6m h ALA 535 Cb 0.05 -0.25 -0.05 0.00 0.00 0.00 0.00 17.79 17.54 1n6m h ALA 535 CO -0.01 0.32 0.05 -0.22 0.00 0.00 0.00 179.25 179.39 1n6m h LYS 536 N 0.86 0.16 -0.09 0.00 1.63 -0.48 0.41 116.57 119.07 1n6m h LYS 536 Ca 0.22 -0.01 -0.08 0.00 -0.85 0.00 0.00 60.65 59.94 1n6m h LYS 536 Cb 0.04 -0.04 0.00 0.00 -0.60 0.00 0.00 32.23 31.63 1n6m h LYS 536 CO -0.04 0.11 -0.25 0.00 -3.45 0.00 0.00 179.45 175.82 1n6m h MET 537 N 0.16 0.33 0.00 1.90 -0.00 0.12 -2.47 114.93 114.97 1n6m h MET 537 Ca 0.17 -0.23 0.00 0.00 -0.00 0.00 0.00 59.70 59.63 1n6m h MET 537 Cb 0.20 0.04 0.00 0.00 -0.00 0.00 0.00 31.60 31.84 1n6m h MET 537 CO -0.23 0.85 0.00 -1.71 -0.00 0.00 0.00 176.91 175.81 1n6m n ASN 538 N -4.48 0.00 -4.12 -0.10 2.85 0.59 -2.68 115.26 107.32 1n6m n ASN 538 Ca -0.08 0.40 -0.43 0.00 -0.11 0.00 0.00 54.58 54.36 1n6m n ASN 538 Cb 0.45 -0.41 0.00 0.00 1.24 0.00 0.00 39.78 41.07 1n6m n ASN 538 CO 0.00 0.00 0.00 -1.14 -2.11 0.00 0.00 177.26 174.01 1n6m n ARG 539 N -1.41 3.64 -2.38 1.20 3.00 0.14 -4.91 116.66 115.95 1n6m n ARG 539 Ca 0.00 -3.84 -0.43 0.00 -0.00 0.00 0.00 57.85 53.58 1n6m n ARG 539 Cb 0.01 -2.88 0.00 0.00 0.00 0.00 0.00 32.46 29.59 1n6m n ARG 539 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1n6m n ALA 540 N 4.03 4.39 -3.87 5.13 0.00 -1.09 -4.92 120.51 124.19 1n6m n ALA 540 Ca 0.36 -3.99 -0.30 0.00 0.00 0.00 0.00 53.44 49.51 1n6m n ALA 540 Cb 0.38 -3.41 -0.16 0.00 0.00 0.00 0.00 19.45 16.26 1n6m n ALA 540 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1n6m s THR 541 N 2.98 1.24 0.15 0.00 -4.23 -1.26 -5.05 115.64 109.46 1n6m s THR 541 Ca 0.48 -1.10 -0.05 0.00 -1.18 0.00 0.00 61.69 59.84 1n6m s THR 541 Cb 0.06 -1.62 -0.06 0.00 1.34 0.00 0.00 72.50 72.23 1n6m s THR 541 CO 0.01 -0.20 0.39 0.00 -0.54 0.00 0.00 174.62 174.28 1n6m s ALA 542 N 1.52 3.78 -0.38 3.99 0.00 -1.26 -4.89 121.76 124.51 1n6m s ALA 542 Ca -0.03 -0.54 -0.29 0.00 0.00 0.00 0.00 51.96 51.11 1n6m s ALA 542 Cb -0.18 -2.15 -0.13 0.00 0.00 0.00 0.00 23.12 20.66 1n6m s ALA 542 CO -0.08 0.66 1.50 0.43 0.00 0.00 0.00 175.76 178.26 1n6m n SER 543 N 0.10 0.46 -1.81 0.00 7.64 -1.26 -1.48 113.62 117.27 1n6m n SER 543 Ca -0.02 0.41 -0.16 0.00 1.01 0.00 0.00 58.87 60.11 1n6m n SER 543 Cb 0.52 -0.61 -0.05 0.00 -1.01 0.00 0.00 64.21 63.06 1n6m n SER 543 CO 0.00 0.00 0.00 0.41 -3.01 0.00 0.00 175.04 172.44 1n6m n THR 544 N 4.48 -0.27 0.00 0.44 -1.04 -1.26 -4.92 114.28 111.71 1n6m n THR 544 Ca 0.38 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.39 1n6m n THR 544 Cb -0.02 -1.84 0.00 0.00 -1.82 0.00 0.00 70.33 66.65 1n6m n THR 544 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1n6m n ALA 545 N -0.17 0.00 0.00 2.41 0.00 -0.55 -4.99 120.51 117.21 1n6m n ALA 545 Ca -0.18 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.26 1n6m n ALA 545 Cb 0.58 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.03 1n6m n ALA 545 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1n6m n SER 550 N -0.84 0.00 0.00 0.00 2.88 -1.26 -5.12 113.62 109.28 1n6m n SER 550 Ca 0.00 0.00 0.11 0.00 -1.33 0.00 0.00 58.87 57.65 1n6m n SER 550 Cb 0.00 0.00 0.48 0.00 -0.75 0.00 0.00 64.21 63.94 1n6m n SER 550 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 1n6m n SER 551 N 0.00 0.00 -0.02 -3.46 3.41 -1.26 -3.42 113.62 108.87 1n6m n SER 551 Ca 0.00 0.45 0.00 0.00 -0.26 0.00 0.00 58.87 59.07 1n6m n SER 551 Cb 0.00 -0.48 0.00 0.00 -0.26 0.00 0.00 64.21 63.47 1n6m n SER 551 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1n6m n ARG 552 N -1.48 1.33 -3.86 4.33 3.00 -1.26 -2.57 116.66 116.15 1n6m n ARG 552 Ca 0.06 -1.01 -0.37 0.00 -0.01 0.00 0.00 57.85 56.52 1n6m n ARG 552 Cb 0.25 -0.74 -0.06 0.00 0.00 0.00 0.00 32.46 31.91 1n6m n ARG 552 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.63 176.09 1n6m s SER 553 N -0.54 6.39 -0.50 0.55 1.04 -1.22 -4.41 113.70 115.01 1n6m s SER 553 Ca 0.01 0.47 -0.13 0.00 0.48 0.00 0.00 55.95 56.78 1n6m s SER 553 Cb 0.01 -2.08 0.11 0.00 0.10 0.00 0.00 66.02 64.16 1n6m s SER 553 CO 0.00 0.40 0.41 -1.00 0.98 0.00 0.00 173.24 174.03 1n6m s HIS 554 N -0.97 3.30 -1.12 5.02 3.76 -1.04 -3.32 115.29 120.92 1n6m s HIS 554 Ca 0.15 -1.40 -0.21 0.00 -0.15 0.00 0.00 55.06 53.45 1n6m s HIS 554 Cb -0.12 -3.51 0.06 0.00 1.11 0.00 0.00 32.58 30.12 1n6m s HIS 554 CO 0.04 -0.95 1.54 0.00 -0.85 0.00 0.00 174.74 174.52 1n6m s ALA 555 N 1.53 2.96 0.78 -1.40 0.00 -0.86 -3.25 121.76 121.50 1n6m s ALA 555 Ca 0.04 -2.52 -0.11 0.00 0.00 0.00 0.00 51.96 49.37 1n6m s ALA 555 Cb -0.27 -4.55 0.07 0.00 0.00 0.00 0.00 23.12 18.36 1n6m s ALA 555 CO 0.03 -3.48 1.14 0.08 0.00 0.00 0.00 175.76 173.53 1n6m s VAL 556 N 4.61 2.26 -0.42 0.00 1.01 -1.26 -1.72 120.40 124.88 1n6m s VAL 556 Ca 0.48 0.02 0.02 0.00 0.00 0.00 0.00 61.98 62.50 1n6m s VAL 556 Cb 0.01 -3.07 0.19 0.00 0.00 0.00 0.00 36.38 33.51 1n6m s VAL 556 CO -0.04 -0.09 0.81 -0.89 0.00 0.00 0.00 175.10 174.90 1n6m s THR 557 N -3.49 -0.73 0.55 3.92 2.01 -0.50 -3.86 115.64 113.54 1n6m s THR 557 Ca 0.61 -0.34 -0.20 0.00 0.31 0.00 0.00 61.69 62.07 1n6m s THR 557 Cb -0.11 0.00 -0.05 0.00 0.01 0.00 0.00 72.50 72.35 1n6m s THR 557 CO 0.49 0.00 1.16 -0.54 -0.69 0.00 0.00 174.62 175.04 1n6m s LYS 558 N 1.43 3.26 -0.44 4.92 1.02 -1.05 -3.50 119.74 125.38 1n6m s LYS 558 Ca 0.21 1.71 0.07 0.00 0.02 0.00 0.00 55.97 57.99 1n6m s LYS 558 Cb 0.01 -2.02 0.33 0.00 -0.52 0.00 0.00 37.83 35.63 1n6m s LYS 558 CO -0.08 -0.95 1.02 -0.11 -0.92 0.00 0.00 175.35 174.31 1n6m n LEU 559 N -1.32 -1.58 -4.75 3.17 0.00 -0.76 -1.00 117.00 110.76 1n6m n LEU 559 Ca 0.12 -4.02 -0.36 0.00 0.00 0.00 0.00 56.01 51.75 1n6m n LEU 559 Cb 0.50 0.88 0.04 0.00 0.00 0.00 0.00 43.42 44.84 1n6m n LEU 559 CO 0.44 2.13 0.83 -0.70 0.00 0.00 0.00 177.39 180.09 1n6m s GLU 560 N -0.38 2.90 0.13 1.96 -6.30 -0.46 -3.56 118.70 112.99 1n6m s GLU 560 Ca 0.27 1.80 0.03 0.00 -2.50 0.00 0.00 54.97 54.56 1n6m s GLU 560 Cb 0.30 -1.92 -0.04 0.00 0.00 0.00 0.00 34.13 32.47 1n6m s GLU 560 CO -0.06 -1.26 -0.06 -0.51 0.02 0.00 0.00 175.26 173.39 1n6m s LEU 561 N -4.19 2.45 -0.16 2.70 1.43 -1.24 -0.51 118.68 119.15 1n6m s LEU 561 Ca 0.77 -1.04 -0.12 0.00 -1.03 0.00 0.00 54.13 52.71 1n6m s LEU 561 Cb -0.30 -0.15 0.05 0.00 0.03 0.00 0.00 46.19 45.82 1n6m s LEU 561 CO 0.34 -0.44 0.42 0.27 0.23 0.00 0.00 176.35 177.17 1n6m s ILE 562 N -3.54 -0.01 -0.04 -0.59 -0.00 -1.24 -1.84 121.20 113.94 1n6m s ILE 562 Ca 0.15 0.04 -0.02 0.00 -0.00 0.00 0.00 60.65 60.82 1n6m s ILE 562 Cb 0.05 -0.60 0.03 0.00 -0.00 0.00 0.00 42.46 41.94 1n6m s ILE 562 CO -0.02 0.02 0.09 -0.83 -0.00 0.00 0.00 174.94 174.20 1n6m s GLY 563 N 0.71 0.03 -0.16 6.27 0.00 0.03 -2.01 107.32 112.19 1n6m s GLY 563 Ca -0.04 0.50 0.02 0.00 0.00 0.00 0.00 44.72 45.20 1n6m s GLY 563 CO -0.05 0.84 -0.20 1.09 0.00 0.00 0.00 173.10 174.78 1n6m s ARG 564 N 1.09 3.03 -0.28 2.90 1.70 -0.82 0.78 118.95 127.36 1n6m s ARG 564 Ca -0.09 -0.83 -0.35 0.00 -0.47 0.00 0.00 55.73 53.99 1n6m s ARG 564 Cb -0.12 -2.51 -0.11 0.00 -0.57 0.00 0.00 34.95 31.64 1n6m s ARG 564 CO -0.04 -0.08 2.09 1.58 -1.08 0.00 0.00 175.30 177.76 1n6m n HIS 565 N 4.27 1.82 -1.29 5.89 -0.00 -1.26 -1.69 115.22 122.95 1n6m n HIS 565 Ca -0.20 0.22 -0.29 0.00 -0.00 0.00 0.00 57.72 57.45 1n6m n HIS 565 Cb 0.51 -2.57 0.04 0.00 -0.00 0.00 0.00 29.99 27.98 1n6m n HIS 565 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 1n6m n ALA 566 N 8.95 5.99 0.00 1.57 0.00 -0.65 -4.75 120.51 131.62 1n6m n ALA 566 Ca 0.35 -2.92 0.00 0.00 0.00 0.00 0.00 53.44 50.87 1n6m n ALA 566 Cb 0.25 -1.73 0.00 0.00 0.00 0.00 0.00 19.45 17.97 1n6m n ALA 566 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1n6m n GLU 570 N -0.23 0.00 -2.95 0.00 -0.58 -1.26 -4.06 120.64 111.57 1n6m n GLU 570 Ca 0.49 0.00 -0.15 0.00 -0.42 0.00 0.00 57.16 57.08 1n6m n GLU 570 Cb 0.56 0.00 -0.01 0.00 -0.57 0.00 0.00 31.44 31.43 1n6m n GLU 570 CO 0.00 0.00 0.00 0.44 -0.48 0.00 0.00 177.13 177.09 1n6m n ILE 571 N 0.00 -0.33 -1.50 -3.67 -5.35 -1.24 -4.37 119.36 102.90 1n6m n ILE 571 Ca 0.00 -2.64 -0.41 0.00 -0.27 0.00 0.00 62.75 59.43 1n6m n ILE 571 Cb 0.00 -0.09 -0.13 0.00 -1.74 0.00 0.00 39.64 37.68 1n6m n ILE 571 CO 0.00 0.00 0.00 -1.20 -1.76 0.00 0.00 176.55 173.59 1n6m n SER 572 N 1.56 0.55 -4.75 7.28 7.64 0.23 -4.30 113.62 121.84 1n6m n SER 572 Ca 0.15 0.11 -0.35 0.00 1.01 0.00 0.00 58.87 59.78 1n6m n SER 572 Cb 0.58 -1.00 -0.08 0.00 -1.01 0.00 0.00 64.21 62.71 1n6m n SER 572 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 1n6m s VAL 573 N 9.32 5.41 0.00 0.44 1.01 -1.26 -0.79 120.40 134.53 1n6m s VAL 573 Ca 1.31 0.22 0.00 0.00 0.00 0.00 0.00 61.98 63.51 1n6m s VAL 573 Cb -1.14 -3.47 0.00 0.00 0.00 0.00 0.00 36.38 31.77 1n6m s VAL 573 CO 0.47 0.46 0.00 0.61 0.00 0.00 0.00 175.10 176.64 1n6m n GLY 574 N 3.30 5.27 2.82 4.51 0.00 -0.76 -4.29 105.19 116.04 1n6m n GLY 574 Ca -0.16 -1.45 0.03 0.00 0.00 0.00 0.00 46.02 44.44 1n6m n GLY 574 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1n6m n SER 575 N 0.00 -0.72 -3.64 1.61 3.41 -1.10 -3.64 113.62 109.55 1n6m n SER 575 Ca 0.00 -1.03 -0.06 0.00 -0.26 0.00 0.00 58.87 57.52 1n6m n SER 575 Cb 0.00 1.09 -0.07 0.00 -0.26 0.00 0.00 64.21 64.97 1n6m n SER 575 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 1n6m s ILE 576 N -2.01 0.00 -0.35 -1.33 -1.09 -1.23 -4.08 121.20 111.10 1n6m s ILE 576 Ca 0.23 0.00 0.13 0.00 -2.23 0.00 0.00 60.65 58.78 1n6m s ILE 576 Cb -0.00 -1.00 0.45 0.00 -1.58 0.00 0.00 42.46 40.33 1n6m s ILE 576 CO -0.02 0.00 1.03 0.59 -1.23 0.00 0.00 174.94 175.31 1n6m n ASN 577 N 3.80 2.71 -4.60 3.58 3.02 -0.94 -1.82 115.26 121.00 1n6m n ASN 577 Ca -0.18 -3.05 -0.49 0.00 -0.03 0.00 0.00 54.58 50.83 1n6m n ASN 577 Cb 0.58 -0.49 -0.04 0.00 -0.61 0.00 0.00 39.78 39.21 1n6m n ASN 577 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 1n6m n LEU 578 N -0.27 1.92 -3.96 3.41 4.77 -1.23 -3.53 117.00 118.11 1n6m n LEU 578 Ca 0.21 1.13 -0.11 0.00 -0.03 0.00 0.00 56.01 57.21 1n6m n LEU 578 Cb 0.77 -1.26 -0.12 0.00 -2.33 0.00 0.00 43.42 40.48 1n6m n LEU 578 CO 0.28 -1.04 -0.37 -0.69 -1.33 0.00 0.00 177.39 174.24 1n6m s VAL 579 N 0.04 0.17 -0.59 4.08 1.01 0.43 -1.42 120.40 124.14 1n6m s VAL 579 Ca 0.75 -0.62 0.04 0.00 0.00 0.00 0.00 61.98 62.16 1n6m s VAL 579 Cb -0.83 -0.25 0.17 0.00 0.00 0.00 0.00 36.38 35.47 1n6m s VAL 579 CO 0.50 -0.29 0.43 -0.62 0.00 0.00 0.00 175.10 175.12 1n6m s ASP 580 N -0.95 3.57 1.15 3.32 -1.08 -0.70 -2.69 116.67 119.30 1n6m s ASP 580 Ca -0.09 -3.52 -0.15 0.00 -0.52 0.00 0.00 52.55 48.27 1n6m s ASP 580 Cb -0.06 -1.19 0.22 0.00 -1.46 0.00 0.00 42.92 40.43 1n6m s ASP 580 CO -0.00 -0.12 0.64 0.18 0.52 0.00 0.00 175.17 176.39 1n6m n LEU 581 N 2.36 -1.69 -4.87 -1.34 4.77 -1.17 -2.04 117.00 113.03 1n6m n LEU 581 Ca 0.23 -0.13 -0.31 0.00 -0.03 0.00 0.00 56.01 55.77 1n6m n LEU 581 Cb 0.39 -1.15 -0.03 0.00 -2.33 0.00 0.00 43.42 40.30 1n6m n LEU 581 CO 0.20 -3.22 0.51 0.00 -1.33 0.00 0.00 177.39 173.55 1n6m s ALA 582 N -2.35 3.27 -0.04 -1.18 0.00 -1.21 -4.84 121.76 115.41 1n6m s ALA 582 Ca 0.64 -0.10 -0.35 0.00 0.00 0.00 0.00 51.96 52.14 1n6m s ALA 582 Cb -0.21 -2.82 -0.17 0.00 0.00 0.00 0.00 23.12 19.92 1n6m s ALA 582 CO 0.66 -0.08 0.97 0.41 0.00 0.00 0.00 175.76 177.72 1n6m n GLY 583 N -1.39 -0.20 0.04 0.00 0.00 -1.06 -4.76 105.19 97.82 1n6m n GLY 583 Ca 0.03 0.68 0.13 0.00 0.00 0.00 0.00 46.02 46.87 1n6m n GLY 583 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1n6m n SER 584 N 1.51 0.36 -4.41 1.61 3.41 0.48 -4.91 113.62 111.67 1n6m n SER 584 Ca 0.18 -0.12 -0.29 0.00 -0.26 0.00 0.00 58.87 58.37 1n6m n SER 584 Cb 0.06 -0.08 0.15 0.00 -0.26 0.00 0.00 64.21 64.09 1n6m n SER 584 CO 0.00 0.00 0.00 -1.83 -0.16 0.00 0.00 175.04 173.05 1n6m s GLU 585 N -2.84 1.04 0.34 4.33 1.03 -1.26 -4.93 118.70 116.40 1n6m s GLU 585 Ca 0.17 -0.19 -0.27 0.00 0.03 0.00 0.00 54.97 54.72 1n6m s GLU 585 Cb 0.19 -1.87 -0.09 0.00 -0.80 0.00 0.00 34.13 31.55 1n6m s GLU 585 CO 0.58 -2.18 1.08 -1.12 -1.33 0.00 0.00 175.26 172.29 1n6m s SER 586 N -4.71 7.00 0.00 0.83 0.01 -1.26 -5.04 113.70 110.53 1n6m s SER 586 Ca 0.69 2.16 0.00 0.00 1.31 0.00 0.00 55.95 60.11 1n6m s SER 586 Cb -0.07 -2.61 0.00 0.00 0.21 0.00 0.00 66.02 63.55 1n6m s SER 586 CO 0.52 -0.33 0.00 -0.81 0.41 0.00 0.00 173.24 173.03 1n6m n PRO 587 N 0.55 0.47 0.00 12.44 -0.04 -1.26 -5.14 135.00 142.01 1n6m n PRO 587 Ca 0.02 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.48 1n6m n PRO 587 Cb 0.47 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.93 1n6m n PRO 587 CO 0.00 0.00 0.00 -1.71 -0.04 0.00 0.00 175.50 173.75 1n6m n ASN 598 N 0.00 0.00 0.02 3.54 4.05 -1.26 -5.29 115.26 116.32 1n6m n ASN 598 Ca 0.00 0.00 -0.07 0.00 0.45 0.00 0.00 54.58 54.96 1n6m n ASN 598 Cb 0.00 0.00 -0.04 0.00 1.23 0.00 0.00 39.78 40.97 1n6m n ASN 598 CO 0.00 0.00 0.00 0.40 -3.05 0.00 0.00 177.26 174.61 1n6m h ILE 599 N 0.00 0.00 -2.86 -1.44 2.04 -2.00 -3.44 117.51 109.81 1n6m h ILE 599 Ca 0.00 0.00 -0.06 0.00 1.00 0.00 0.00 64.86 65.80 1n6m h ILE 599 Cb 0.00 0.00 -0.02 0.00 -0.74 0.00 0.00 36.82 36.06 1n6m h ILE 599 CO 0.00 0.00 -0.06 0.29 0.00 0.00 0.00 178.15 178.38 1n6m n LYS 600 N -3.80 -1.68 0.13 2.37 4.01 -1.26 -4.71 118.16 113.22 1n6m n LYS 600 Ca -0.03 0.17 -0.02 0.00 -0.51 0.00 0.00 58.31 57.92 1n6m n LYS 600 Cb 0.17 -4.39 0.12 0.00 -0.51 0.00 0.00 35.03 30.43 1n6m n LYS 600 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 1n6m h ARG 601 N 0.00 0.00 -1.29 1.97 3.08 -1.98 -3.05 114.38 113.12 1n6m h ARG 601 Ca -0.06 0.00 0.37 0.00 0.07 0.00 0.00 59.98 60.36 1n6m h ARG 601 Cb 0.50 0.00 -0.07 0.00 0.08 0.00 0.00 29.97 30.47 1n6m h ARG 601 CO 0.09 0.67 0.89 0.77 -1.07 0.00 0.00 179.97 181.32 1n6m h SER 602 N 0.00 0.13 0.00 7.04 0.02 -1.90 1.53 113.55 120.38 1n6m h SER 602 Ca -0.01 0.04 -0.01 0.00 -0.84 0.00 0.00 61.79 60.98 1n6m h SER 602 Cb 1.22 0.02 -0.00 0.00 0.14 0.00 0.00 62.40 63.78 1n6m h SER 602 CO 0.09 -0.01 -0.04 -0.07 -1.14 0.00 0.00 176.83 175.66 1n6m h LEU 603 N 0.10 0.00 -2.07 5.07 4.07 -1.92 0.27 115.31 120.83 1n6m h LEU 603 Ca 0.66 -0.56 0.00 0.00 0.08 0.00 0.00 57.88 58.06 1n6m h LEU 603 Cb 2.36 0.00 0.00 0.00 1.08 0.00 0.00 40.66 44.10 1n6m h LEU 603 CO -0.13 0.80 0.05 0.77 -1.08 0.00 0.00 178.44 178.85 1n6m h SER 604 N -1.00 0.00 0.10 -0.43 4.64 -1.08 0.15 113.55 115.92 1n6m h SER 604 Ca -0.01 0.00 -0.30 0.00 -0.47 0.00 0.00 61.79 61.01 1n6m h SER 604 Cb 0.58 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.66 1n6m h SER 604 CO -0.00 0.00 -1.59 -0.08 -0.87 0.00 0.00 176.83 174.29 1n6m h GLU 605 N 0.00 0.20 -0.27 4.77 4.57 0.21 -3.23 114.58 120.83 1n6m h GLU 605 Ca 0.00 -0.35 0.03 0.00 -1.18 0.00 0.00 59.36 57.86 1n6m h GLU 605 Cb 0.11 0.13 -0.03 0.00 -0.16 0.00 0.00 28.75 28.80 1n6m h GLU 605 CO 0.00 1.17 0.10 1.25 -1.18 0.00 0.00 179.01 180.34 1n6m h LEU 606 N -0.31 0.11 -0.25 1.64 6.46 0.18 -0.60 115.31 122.54 1n6m h LEU 606 Ca -0.36 0.03 0.04 0.00 -0.12 0.00 0.00 57.88 57.48 1n6m h LEU 606 Cb 1.77 0.02 -0.07 0.00 -0.73 0.00 0.00 40.66 41.64 1n6m h LEU 606 CO 0.02 0.10 -0.51 0.71 -0.62 0.00 0.00 178.44 178.14 1n6m h THR 607 N 0.22 0.04 -0.13 1.05 1.35 -0.96 0.48 112.91 114.96 1n6m h THR 607 Ca 0.12 0.00 0.04 0.00 -0.55 0.00 0.00 66.41 66.02 1n6m h THR 607 Cb 0.09 0.04 -0.04 0.00 -1.73 0.00 0.00 68.15 66.51 1n6m h THR 607 CO -0.12 0.00 -0.12 0.78 -0.25 0.00 0.00 175.52 175.81 1n6m h ASN 608 N -0.48 -0.37 -0.95 5.36 2.35 -1.49 0.29 115.58 120.29 1n6m h ASN 608 Ca 0.07 0.07 0.09 0.00 -0.55 0.00 0.00 56.30 55.99 1n6m h ASN 608 Cb 0.64 0.18 -0.08 0.00 0.05 0.00 0.00 38.32 39.12 1n6m h ASN 608 CO -0.49 -0.16 0.59 0.58 -1.65 0.00 0.00 177.43 176.30 1n6m h VAL 609 N -0.14 0.98 -0.12 2.81 2.07 -0.41 0.11 116.25 121.55 1n6m h VAL 609 Ca 0.09 -0.34 -0.09 0.00 0.82 0.00 0.00 66.70 67.18 1n6m h VAL 609 Cb 0.26 -0.11 0.00 0.00 -1.52 0.00 0.00 31.29 29.93 1n6m h VAL 609 CO -0.21 0.18 -0.26 0.40 0.02 0.00 0.00 177.57 177.70 1n6m h ILE 610 N 1.00 1.38 -0.05 4.57 1.08 0.86 -1.75 117.51 124.60 1n6m h ILE 610 Ca 0.45 -1.56 -0.06 0.00 -0.39 0.00 0.00 64.86 63.30 1n6m h ILE 610 Cb 0.34 2.10 -0.01 0.00 -3.07 0.00 0.00 36.82 36.18 1n6m h ILE 610 CO -0.23 0.45 -0.26 -0.07 -0.69 0.00 0.00 178.15 177.35 1n6m h LEU 611 N -0.05 0.09 -0.49 1.44 3.38 -0.11 -1.29 115.31 118.29 1n6m h LEU 611 Ca -0.00 -0.02 -0.17 0.00 0.09 0.00 0.00 57.88 57.78 1n6m h LEU 611 Cb 0.86 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 41.58 1n6m h LEU 611 CO 0.06 0.36 -0.59 0.00 0.09 0.00 0.00 178.44 178.35 1n6m h ALA 612 N 1.65 0.67 -0.26 1.53 0.00 -0.74 -0.91 119.26 121.21 1n6m h ALA 612 Ca 0.01 -0.53 -0.08 0.00 0.00 0.00 0.00 54.91 54.31 1n6m h ALA 612 Cb 0.52 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.22 1n6m h ALA 612 CO 0.04 0.70 -0.16 -0.07 0.00 0.00 0.00 179.25 179.76 1n6m h LEU 613 N 0.39 0.59 -0.50 0.00 3.38 -0.78 -1.13 115.31 117.25 1n6m h LEU 613 Ca -0.00 -0.43 0.02 0.00 0.09 0.00 0.00 57.88 57.56 1n6m h LEU 613 Cb 1.14 -0.16 -0.03 0.00 0.09 0.00 0.00 40.66 41.70 1n6m h LEU 613 CO 0.11 0.89 0.30 -0.07 0.09 0.00 0.00 178.44 179.76 1n6m h LEU 614 N 0.29 0.49 -2.58 1.67 3.38 -1.20 0.49 115.31 117.86 1n6m h LEU 614 Ca 0.05 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.03 1n6m h LEU 614 Cb 0.68 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 41.33 1n6m h LEU 614 CO 0.04 0.35 0.01 1.56 0.09 0.00 0.00 178.44 180.50 1n6m h GLN 615 N 0.61 0.00 -6.04 1.13 4.20 -1.04 -3.47 115.11 110.49 1n6m h GLN 615 Ca 0.20 0.00 -0.07 0.00 0.06 0.00 0.00 58.65 58.84 1n6m h GLN 615 Cb 0.01 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.79 1n6m h GLN 615 CO -0.09 0.00 -1.00 1.63 -0.67 0.00 0.00 178.83 178.70 1n6m n LYS 616 N -2.87 -1.46 0.10 1.46 5.02 0.17 -5.07 118.16 115.52 1n6m n LYS 616 Ca -0.03 1.45 0.00 0.00 -2.02 0.00 0.00 58.31 57.72 1n6m n LYS 616 Cb 0.08 -2.53 0.00 0.00 -0.02 0.00 0.00 35.03 32.56 1n6m n LYS 616 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1n6m n GLN 617 N 0.79 0.00 0.00 1.97 10.64 -1.25 -5.06 117.38 124.48 1n6m n GLN 617 Ca -0.01 0.00 0.00 0.00 -1.83 0.00 0.00 57.00 55.16 1n6m n GLN 617 Cb 0.41 -0.10 0.00 0.00 -0.86 0.00 0.00 30.24 29.69 1n6m n GLN 617 CO 0.00 0.00 0.00 0.66 -1.83 0.00 0.00 177.06 175.89 1n6m n TYR 622 N -3.33 0.00 -1.47 2.61 4.02 -1.26 -5.13 117.16 112.59 1n6m n TYR 622 Ca 0.00 0.00 -0.40 0.00 -0.01 0.00 0.00 57.90 57.49 1n6m n TYR 622 Cb 0.00 0.00 -0.02 0.00 -0.02 0.00 0.00 39.34 39.30 1n6m n TYR 622 CO 0.00 0.00 0.00 -2.13 -1.01 0.00 0.00 176.86 173.72 1n6m n ARG 623 N -0.05 2.74 -0.02 -0.72 0.63 -1.26 -3.16 116.66 114.83 1n6m n ARG 623 Ca 0.00 -2.31 0.08 0.00 -0.92 0.00 0.00 57.85 54.70 1n6m n ARG 623 Cb 0.00 -3.07 -0.15 0.00 0.45 0.00 0.00 32.46 29.70 1n6m n ARG 623 CO 0.00 0.00 0.00 0.09 -2.51 0.00 0.00 177.63 175.21 1n6m n ASN 624 N 5.68 0.69 -4.01 6.15 3.02 -1.26 -4.94 115.26 120.59 1n6m n ASN 624 Ca 0.57 0.00 -0.10 0.00 -0.03 0.00 0.00 54.58 55.02 1n6m n ASN 624 Cb 0.34 1.76 -0.11 0.00 -0.61 0.00 0.00 39.78 41.17 1n6m n ASN 624 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 1n6m s SER 625 N -4.28 0.41 0.32 6.41 1.04 -1.26 -4.88 113.70 111.46 1n6m s SER 625 Ca -0.07 -0.58 0.05 0.00 0.48 0.00 0.00 55.95 55.83 1n6m s SER 625 Cb 0.11 0.10 0.55 0.00 0.10 0.00 0.00 66.02 66.88 1n6m s SER 625 CO 0.78 -0.32 1.80 0.50 0.98 0.00 0.00 173.24 176.97 1n6m h LYS 626 N 4.40 0.39 0.06 4.02 1.63 -1.92 -3.08 116.57 122.07 1n6m h LYS 626 Ca -0.33 -0.12 -0.00 0.00 -0.85 0.00 0.00 60.65 59.34 1n6m h LYS 626 Cb 1.20 -0.04 0.00 0.00 -0.60 0.00 0.00 32.23 32.79 1n6m h LYS 626 CO 0.44 0.57 -0.03 1.25 -3.45 0.00 0.00 179.45 178.24 1n6m h LEU 627 N 0.35 -0.07 -0.50 5.20 5.85 -1.95 -1.12 115.31 123.08 1n6m h LEU 627 Ca 0.06 0.00 0.05 0.00 0.84 0.00 0.00 57.88 58.83 1n6m h LEU 627 Cb 0.55 0.02 -0.06 0.00 0.37 0.00 0.00 40.66 41.54 1n6m h LEU 627 CO 0.04 -0.04 -0.30 0.71 -0.34 0.00 0.00 178.44 178.50 1n6m h THR 628 N -0.09 0.00 -0.72 1.05 1.35 -1.84 0.71 112.91 113.38 1n6m h THR 628 Ca -0.01 0.00 0.13 0.00 -0.55 0.00 0.00 66.41 65.98 1n6m h THR 628 Cb 0.06 0.00 -0.13 0.00 -1.73 0.00 0.00 68.15 66.35 1n6m h THR 628 CO 0.01 0.00 -0.29 -0.74 -0.25 0.00 0.00 175.52 174.25 1n6m h HIS 629 N -0.01 -0.75 -0.96 4.73 -0.00 -1.49 0.18 115.15 116.84 1n6m h HIS 629 Ca 0.08 0.08 0.15 0.00 -0.00 0.00 0.00 60.37 60.68 1n6m h HIS 629 Cb 0.21 0.44 -0.08 0.00 -0.00 0.00 0.00 27.41 27.98 1n6m h HIS 629 CO -0.97 -0.37 0.61 1.25 -0.00 0.00 0.00 177.93 178.45 1n6m h LEU 630 N -0.08 0.77 -3.37 0.26 5.85 0.45 -2.56 115.31 116.63 1n6m h LEU 630 Ca 0.30 0.06 -0.27 0.00 0.84 0.00 0.00 57.88 58.81 1n6m h LEU 630 Cb 0.56 -0.09 -0.20 0.00 0.37 0.00 0.00 40.66 41.30 1n6m h LEU 630 CO -0.77 0.36 -0.61 0.00 -0.34 0.00 0.00 178.44 177.09 1n6m n LEU 631 N -4.63 3.86 -0.66 2.25 -0.00 -0.40 -4.80 117.00 112.61 1n6m n LEU 631 Ca 0.20 -4.29 -0.00 0.00 -0.00 0.00 0.00 56.01 51.91 1n6m n LEU 631 Cb 0.47 -0.45 0.00 0.00 -0.00 0.00 0.00 43.42 43.44 1n6m n LEU 631 CO 0.27 1.72 0.33 1.15 -0.00 0.00 0.00 177.39 180.86 1n6m n MET 632 N -0.93 1.03 0.00 1.47 0.00 0.49 -3.46 117.12 115.72 1n6m n MET 632 Ca 0.32 -0.03 0.00 0.00 0.00 0.00 0.00 57.70 57.99 1n6m n MET 632 Cb 0.83 -1.35 0.00 0.00 0.00 0.00 0.00 33.22 32.70 1n6m n MET 632 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 175.97 175.62 1n6m n PRO 633 N 0.15 0.16 -1.06 3.17 -0.04 -1.26 -4.77 135.00 131.35 1n6m n PRO 633 Ca 0.00 0.00 -0.15 0.00 -0.04 0.00 0.00 63.50 63.31 1n6m n PRO 633 Cb 0.34 -0.56 -0.08 0.00 -0.04 0.00 0.00 33.50 33.15 1n6m n PRO 633 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 1n6m n SER 634 N -1.30 5.79 0.00 3.54 7.64 -1.22 -4.54 113.62 123.52 1n6m n SER 634 Ca 0.00 -2.77 0.00 0.00 1.01 0.00 0.00 58.87 57.11 1n6m n SER 634 Cb 0.06 -1.27 0.00 0.00 -1.01 0.00 0.00 64.21 61.99 1n6m n SER 634 CO 0.00 0.00 0.00 -0.11 -3.01 0.00 0.00 175.04 171.92 1n6m n LEU 635 N 1.58 0.00 0.00 -3.43 -0.00 -1.25 -4.68 117.00 109.22 1n6m n LEU 635 Ca 0.37 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.38 1n6m n LEU 635 Cb 0.70 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 44.12 1n6m n LEU 635 CO 0.20 0.00 0.00 0.61 -0.00 0.00 0.00 177.39 178.20 1n6m n GLY 636 N 0.00 2.88 3.91 -3.96 0.00 -1.26 -4.39 105.19 102.37 1n6m n GLY 636 Ca 0.00 -0.29 -0.29 0.00 0.00 0.00 0.00 46.02 45.44 1n6m n GLY 636 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1n6m s GLY 637 N -0.28 2.01 -1.84 -0.02 0.00 -1.26 -4.42 107.32 101.51 1n6m s GLY 637 Ca 0.00 -0.71 0.00 0.00 0.00 0.00 0.00 44.72 44.01 1n6m s GLY 637 CO 0.00 -0.65 0.00 -2.01 0.00 0.00 0.00 173.10 170.44 1n6m n ASN 638 N -0.29 -5.22 -3.98 1.64 2.85 -1.26 -4.99 115.26 104.00 1n6m n ASN 638 Ca -0.04 0.34 -0.24 0.00 -0.11 0.00 0.00 54.58 54.53 1n6m n ASN 638 Cb 0.53 -4.32 -0.17 0.00 1.24 0.00 0.00 39.78 37.07 1n6m n ASN 638 CO 0.00 0.00 0.00 -0.55 -2.11 0.00 0.00 177.26 174.60 1n6m s SER 639 N -2.65 1.61 -0.38 1.20 0.15 -1.26 -4.51 113.70 107.85 1n6m s SER 639 Ca 0.00 -0.26 -0.23 0.00 0.70 0.00 0.00 55.95 56.16 1n6m s SER 639 Cb 0.00 -0.74 0.01 0.00 -1.71 0.00 0.00 66.02 63.58 1n6m s SER 639 CO 0.00 0.00 0.80 -0.54 1.20 0.00 0.00 173.24 174.70 1n6m s LYS 640 N 0.79 3.69 0.38 5.44 1.02 -1.20 -4.81 119.74 125.05 1n6m s LYS 640 Ca -0.12 0.25 0.08 0.00 0.02 0.00 0.00 55.97 56.19 1n6m s LYS 640 Cb -0.15 -3.84 -0.02 0.00 -0.52 0.00 0.00 37.83 33.30 1n6m s LYS 640 CO 0.02 -0.92 0.38 0.95 -0.92 0.00 0.00 175.35 174.87 1n6m s THR 641 N 3.18 3.19 -0.17 2.17 -4.23 -0.94 -1.95 115.64 116.90 1n6m s THR 641 Ca 0.32 -1.27 -0.15 0.00 -1.18 0.00 0.00 61.69 59.41 1n6m s THR 641 Cb -0.13 -3.11 0.05 0.00 1.34 0.00 0.00 72.50 70.64 1n6m s THR 641 CO 0.18 -0.08 0.45 -0.22 -0.54 0.00 0.00 174.62 174.41 1n6m s LEU 642 N -4.12 0.23 -0.03 4.79 2.96 0.26 -2.62 118.68 120.15 1n6m s LEU 642 Ca 0.46 0.91 0.04 0.00 -0.22 0.00 0.00 54.13 55.32 1n6m s LEU 642 Cb -0.06 1.53 -0.00 0.00 0.50 0.00 0.00 46.19 48.16 1n6m s LEU 642 CO 0.28 -0.16 -0.14 -0.32 -1.32 0.00 0.00 176.35 174.69 1n6m s MET 643 N 0.38 1.38 -0.10 1.98 -2.45 -0.59 -0.93 119.30 118.97 1n6m s MET 643 Ca -0.01 -0.49 -0.03 0.00 -1.25 0.00 0.00 55.69 53.91 1n6m s MET 643 Cb -0.04 -1.25 -0.03 0.00 1.25 0.00 0.00 34.83 34.76 1n6m s MET 643 CO -0.01 0.22 0.01 -0.06 1.05 0.00 0.00 175.02 176.22 1n6m s PHE 644 N 0.00 3.17 -0.26 4.11 0.40 -0.22 -1.24 117.98 123.94 1n6m s PHE 644 Ca -0.01 0.15 0.00 0.00 -0.60 0.00 0.00 56.93 56.47 1n6m s PHE 644 Cb -0.09 -1.83 0.04 0.00 0.51 0.00 0.00 43.02 41.65 1n6m s PHE 644 CO 0.01 0.41 -0.08 0.42 0.70 0.00 0.00 175.22 176.67 1n6m s ILE 645 N -0.67 2.53 -0.08 0.64 -1.09 -0.40 -0.85 121.20 121.28 1n6m s ILE 645 Ca 0.11 -1.35 -0.10 0.00 -2.23 0.00 0.00 60.65 57.08 1n6m s ILE 645 Cb -0.12 -2.38 -0.05 0.00 -1.58 0.00 0.00 42.46 38.33 1n6m s ILE 645 CO 0.02 0.07 0.23 0.20 -1.23 0.00 0.00 174.94 174.24 1n6m s ASN 646 N 1.21 6.53 0.04 3.58 -0.87 0.13 -0.15 114.94 125.42 1n6m s ASN 646 Ca -0.04 0.64 -0.02 0.00 -1.57 0.00 0.00 52.86 51.87 1n6m s ASN 646 Cb -0.18 -2.13 -0.03 0.00 -0.02 0.00 0.00 41.25 38.89 1n6m s ASN 646 CO -0.05 0.38 0.00 -0.69 -2.57 0.00 0.00 177.10 174.17 1n6m s VAL 647 N -1.03 0.16 -0.08 1.60 1.01 -0.78 -4.26 120.40 117.02 1n6m s VAL 647 Ca 0.18 -1.33 0.00 0.00 0.00 0.00 0.00 61.98 60.83 1n6m s VAL 647 Cb -0.14 -0.94 -0.03 0.00 0.00 0.00 0.00 36.38 35.27 1n6m s VAL 647 CO 0.07 -0.73 -0.06 -0.44 0.00 0.00 0.00 175.10 173.94 1n6m s SER 648 N -2.24 4.68 0.00 3.32 0.01 -1.26 -2.59 113.70 115.61 1n6m s SER 648 Ca -0.04 -0.03 0.00 0.00 1.31 0.00 0.00 55.95 57.19 1n6m s SER 648 Cb -0.00 -1.27 0.00 0.00 0.21 0.00 0.00 66.02 64.95 1n6m s SER 648 CO -0.06 0.33 0.69 -0.81 0.41 0.00 0.00 173.24 173.80 1n6m n PRO 649 N 2.42 0.84 -3.38 12.44 -0.04 -1.26 -4.85 135.00 141.17 1n6m n PRO 649 Ca -0.18 0.00 -0.36 0.00 -0.04 0.00 0.00 63.50 62.92 1n6m n PRO 649 Cb 0.53 -1.15 -0.06 0.00 -0.04 0.00 0.00 33.50 32.78 1n6m n PRO 649 CO 0.00 0.00 0.00 -0.06 -0.04 0.00 0.00 175.50 175.40 1n6m s PHE 650 N -1.63 3.64 0.46 0.54 0.08 -1.26 -1.63 117.98 118.18 1n6m s PHE 650 Ca 0.00 1.06 0.18 0.00 0.12 0.00 0.00 56.93 58.28 1n6m s PHE 650 Cb 0.00 -2.36 1.17 0.00 -0.57 0.00 0.00 43.02 41.26 1n6m s PHE 650 CO 0.00 0.47 2.04 0.37 -0.10 0.00 0.00 175.22 178.01 1n6m h GLN 651 N 3.78 0.00 -0.00 0.44 5.75 -1.49 -1.20 115.11 122.39 1n6m h GLN 651 Ca -0.49 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.01 1n6m h GLN 651 Cb 1.20 0.00 0.00 0.00 1.07 0.00 0.00 27.48 29.75 1n6m h GLN 651 CO 0.65 0.14 -0.04 -0.40 -2.65 0.00 0.00 178.83 176.53 1n6m n ASP 652 N -4.20 0.08 -0.00 -0.69 5.75 -1.26 -2.96 116.55 113.26 1n6m n ASP 652 Ca -0.02 0.04 0.10 0.00 -0.01 0.00 0.00 54.79 54.90 1n6m n ASP 652 Cb 0.21 -0.31 -0.13 0.00 -1.03 0.00 0.00 41.12 39.86 1n6m n ASP 652 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1n6m n PHE 654 N -1.80 0.14 0.04 0.00 -0.00 -1.07 0.42 117.46 115.20 1n6m n PHE 654 Ca 0.01 0.78 -0.06 0.00 -0.00 0.00 0.00 57.45 58.17 1n6m n PHE 654 Cb 0.42 -0.82 0.11 0.00 -0.00 0.00 0.00 39.48 39.20 1n6m n PHE 654 CO 0.00 0.00 0.00 1.96 -0.00 0.00 0.00 176.76 178.72 1n6m h GLN 655 N 0.00 0.41 -0.33 -4.13 4.20 -1.85 -0.47 115.11 112.93 1n6m h GLN 655 Ca 0.27 -0.24 -0.15 0.00 0.06 0.00 0.00 58.65 58.59 1n6m h GLN 655 Cb 0.43 0.02 -0.00 0.00 0.30 0.00 0.00 27.48 28.23 1n6m h GLN 655 CO -0.64 0.83 -0.36 1.49 -0.67 0.00 0.00 178.83 179.48 1n6m h GLU 656 N 0.32 0.83 0.84 1.46 4.57 -0.36 -0.64 114.58 121.60 1n6m h GLU 656 Ca 0.01 -0.45 -0.04 0.00 -1.18 0.00 0.00 59.36 57.70 1n6m h GLU 656 Cb 1.02 0.02 0.01 0.00 -0.16 0.00 0.00 28.75 29.64 1n6m h GLU 656 CO 0.09 1.09 -0.41 0.77 -1.18 0.00 0.00 179.01 179.37 1n6m h SER 657 N 0.62 -0.96 -0.76 1.04 0.02 -0.61 -0.40 113.55 112.49 1n6m h SER 657 Ca 0.05 0.03 0.22 0.00 -0.84 0.00 0.00 61.79 61.25 1n6m h SER 657 Cb 0.95 0.25 -0.03 0.00 0.14 0.00 0.00 62.40 63.71 1n6m h SER 657 CO 0.09 -0.69 0.56 0.58 -1.14 0.00 0.00 176.83 176.24 1n6m h VAL 658 N -1.13 0.58 -0.28 2.27 2.07 -1.06 0.72 116.25 119.43 1n6m h VAL 658 Ca -0.12 0.00 -0.16 0.00 0.82 0.00 0.00 66.70 67.24 1n6m h VAL 658 Cb 0.87 0.60 -0.01 0.00 -1.52 0.00 0.00 31.29 31.24 1n6m h VAL 658 CO 0.19 0.00 -0.47 0.50 0.02 0.00 0.00 177.57 177.81 1n6m h LYS 659 N 0.00 0.74 -0.09 1.57 3.11 -0.10 -1.44 116.57 120.35 1n6m h LYS 659 Ca 0.36 -0.43 -0.20 0.00 -2.81 0.00 0.00 60.65 57.58 1n6m h LYS 659 Cb 1.49 0.03 0.01 0.00 -1.00 0.00 0.00 32.23 32.76 1n6m h LYS 659 CO -0.00 1.05 -0.71 0.77 -2.81 0.00 0.00 179.45 177.74 1n6m h SER 660 N 0.59 0.79 -0.29 4.20 0.02 0.20 -2.62 113.55 116.44 1n6m h SER 660 Ca 0.03 -0.67 -0.13 0.00 -0.84 0.00 0.00 61.79 60.18 1n6m h SER 660 Cb 1.04 -0.24 -0.01 0.00 0.14 0.00 0.00 62.40 63.33 1n6m h SER 660 CO 0.10 1.34 -0.30 -0.07 -1.14 0.00 0.00 176.83 176.75 1n6m h LEU 661 N 0.30 0.84 0.06 5.07 3.38 -1.05 -2.31 115.31 121.59 1n6m h LEU 661 Ca -0.06 -0.34 0.02 0.00 0.09 0.00 0.00 57.88 57.59 1n6m h LEU 661 Cb 1.36 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 41.85 1n6m h LEU 661 CO 0.15 1.08 -0.21 0.03 0.09 0.00 0.00 178.44 179.57 1n6m h ARG 662 N 0.68 -0.36 0.30 1.13 -0.00 -1.27 0.22 114.38 115.09 1n6m h ARG 662 Ca 0.08 0.02 0.00 0.00 -0.50 0.00 0.00 59.98 59.58 1n6m h ARG 662 Cb 0.84 0.08 -0.03 0.00 0.00 0.00 0.00 29.97 30.86 1n6m h ARG 662 CO 0.07 -0.24 -0.48 0.35 0.00 0.00 0.00 179.97 179.67 1n6m h PHE 663 N -0.37 -1.35 -0.06 3.04 3.57 -1.34 0.13 116.94 120.56 1n6m h PHE 663 Ca 0.04 0.02 0.02 0.00 3.53 0.00 0.00 57.97 61.59 1n6m h PHE 663 Cb 0.42 0.55 -0.05 0.00 2.79 0.00 0.00 35.95 39.66 1n6m h PHE 663 CO -0.23 -0.61 -0.49 0.00 -2.23 0.00 0.00 178.31 174.75 1n6m h ALA 664 N -0.58 -0.89 -0.96 2.41 0.00 -1.21 0.47 119.26 118.51 1n6m h ALA 664 Ca -0.02 -0.07 0.30 0.00 0.00 0.00 0.00 54.91 55.12 1n6m h ALA 664 Cb 0.79 0.94 -0.15 0.00 0.00 0.00 0.00 17.79 19.37 1n6m h ALA 664 CO -0.16 -1.05 0.39 0.00 0.00 0.00 0.00 179.25 178.43 1n6m h ALA 665 N -0.47 1.66 -0.78 0.00 0.00 -0.29 0.98 119.26 120.37 1n6m h ALA 665 Ca 0.02 0.23 0.15 0.00 0.00 0.00 0.00 54.91 55.30 1n6m h ALA 665 Cb 0.64 0.28 -0.05 0.00 0.00 0.00 0.00 17.79 18.66 1n6m h ALA 665 CO -0.36 -0.59 0.51 1.03 0.00 0.00 0.00 179.25 179.85 1n6m h SER 666 N 0.21 0.44 -0.44 0.00 0.87 0.15 1.10 113.55 115.88 1n6m h SER 666 Ca 0.67 0.02 -0.13 0.00 -1.23 0.00 0.00 61.79 61.13 1n6m h SER 666 Cb 1.51 -0.06 -0.01 0.00 -0.44 0.00 0.00 62.40 63.39 1n6m h SER 666 CO -0.68 0.23 -0.23 0.58 -0.53 0.00 0.00 176.83 176.20 1n6m h VAL 667 N 0.47 1.27 0.00 2.23 2.07 0.13 -3.51 116.25 118.92 1n6m h VAL 667 Ca 0.38 -1.39 0.00 0.00 0.82 0.00 0.00 66.70 66.51 1n6m h VAL 667 Cb 0.81 1.21 0.00 0.00 -1.52 0.00 0.00 31.29 31.79 1n6m h VAL 667 CO -0.13 0.47 0.00 -3.20 0.02 0.00 0.00 177.57 174.73