#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qkp s LEU 314 N 0.00 -0.63 1.04 1.04 2.96 -1.26 -5.17 118.68 116.67 2qkp s LEU 314 Ca 0.00 1.24 -0.15 0.00 -0.22 0.00 0.00 54.13 55.00 2qkp s LEU 314 Cb 0.00 1.90 0.21 0.00 0.50 0.00 0.00 46.19 48.80 2qkp s LEU 314 CO 0.00 -0.22 1.14 1.51 -1.32 0.00 0.00 176.35 177.46 2qkp s ASP 315 N 1.78 2.34 0.22 3.68 1.47 -1.26 -4.94 116.67 119.96 2qkp s ASP 315 Ca -0.09 0.80 0.26 0.00 1.18 0.00 0.00 52.55 54.70 2qkp s ASP 315 Cb -0.08 -1.21 0.85 0.00 -0.34 0.00 0.00 42.92 42.14 2qkp s ASP 315 CO -0.17 -3.26 1.76 0.54 0.68 0.00 0.00 175.17 174.73 2qkp n ARG 316 N -4.21 0.25 0.00 2.11 1.74 -1.26 -3.57 116.66 111.72 2qkp n ARG 316 Ca 0.10 0.26 0.06 0.00 -0.77 0.00 0.00 57.85 57.49 2qkp n ARG 316 Cb 0.59 -1.82 0.02 0.00 -1.02 0.00 0.00 32.46 30.23 2qkp n ARG 316 CO 0.00 0.00 0.00 0.25 -1.52 0.00 0.00 177.63 176.36 2qkp n THR 317 N -2.26 0.00 -3.11 0.55 -2.24 -1.26 -1.00 114.28 104.97 2qkp n THR 317 Ca 0.05 -0.43 -0.39 0.00 -2.27 0.00 0.00 64.05 61.01 2qkp n THR 317 Cb 0.39 1.18 -0.06 0.00 -2.10 0.00 0.00 70.33 69.75 2qkp n THR 317 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 2qkp s THR 318 N -1.29 4.71 0.41 4.28 2.01 -1.23 -4.78 115.64 119.74 2qkp s THR 318 Ca 0.11 1.45 -0.27 0.00 0.31 0.00 0.00 61.69 63.30 2qkp s THR 318 Cb 0.10 -4.02 -0.09 0.00 0.01 0.00 0.00 72.50 68.49 2qkp s THR 318 CO 0.23 0.45 1.41 -1.10 -0.69 0.00 0.00 174.62 174.92 2qkp s GLN 319 N -0.52 3.93 0.13 4.92 -1.52 -1.26 -4.28 119.66 121.06 2qkp s GLN 319 Ca 0.34 2.39 -0.11 0.00 -1.95 0.00 0.00 55.36 56.03 2qkp s GLN 319 Cb -0.20 -2.81 0.00 0.00 -0.22 0.00 0.00 33.01 29.78 2qkp s GLN 319 CO 0.21 -0.61 0.28 1.14 -0.25 0.00 0.00 175.29 176.07 2qkp s GLN 320 N -2.24 1.04 0.30 2.91 -2.07 -0.25 -4.91 119.66 114.45 2qkp s GLN 320 Ca 0.57 -0.99 -0.30 0.00 -1.82 0.00 0.00 55.36 52.81 2qkp s GLN 320 Cb -0.43 0.39 -0.11 0.00 -1.09 0.00 0.00 33.01 31.77 2qkp s GLN 320 CO 0.56 -0.37 1.58 -2.14 -1.32 0.00 0.00 175.29 173.60 2qkp s PRO 321 N -3.89 4.12 -0.05 9.60 0.02 -1.26 -1.29 135.00 142.25 2qkp s PRO 321 Ca 0.10 2.57 -0.03 0.00 0.02 0.00 0.00 61.00 63.65 2qkp s PRO 321 Cb 0.03 -3.02 0.02 0.00 0.02 0.00 0.00 34.50 31.56 2qkp s PRO 321 CO -0.06 -0.61 0.12 -0.06 -0.33 0.00 0.00 177.00 176.05 2qkp s PHE 322 N -0.15 -0.12 0.00 6.54 0.08 -0.46 -4.77 117.98 119.10 2qkp s PHE 322 Ca 0.62 0.36 0.00 0.00 0.12 0.00 0.00 56.93 58.03 2qkp s PHE 322 Cb -0.47 -0.04 0.00 0.00 -0.57 0.00 0.00 43.02 41.93 2qkp s PHE 322 CO 0.50 -0.11 0.00 0.41 -0.10 0.00 0.00 175.22 175.92 2qkp n GLY 323 N 3.66 3.20 1.22 4.36 0.00 -1.26 -1.24 105.19 115.13 2qkp n GLY 323 Ca -0.20 -0.19 0.09 0.00 0.00 0.00 0.00 46.02 45.72 2qkp n GLY 323 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2qkp n ASN 324 N 2.95 3.56 0.00 1.61 3.02 -1.26 -4.92 115.26 120.22 2qkp n ASN 324 Ca 0.00 -2.13 0.00 0.00 -0.03 0.00 0.00 54.58 52.42 2qkp n ASN 324 Cb 0.00 -0.45 0.00 0.00 -0.61 0.00 0.00 39.78 38.72 2qkp n ASN 324 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2qkp n GLY 325 N 1.31 3.47 2.96 7.41 0.00 -0.37 -5.18 105.19 114.78 2qkp n GLY 325 Ca 0.21 -0.23 -0.12 0.00 0.00 0.00 0.00 46.02 45.88 2qkp n GLY 325 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2qkp s TYR 326 N 2.58 -0.05 0.05 1.61 1.51 -1.25 -1.35 117.35 120.45 2qkp s TYR 326 Ca 0.00 0.13 -0.09 0.00 -1.01 0.00 0.00 57.07 56.10 2qkp s TYR 326 Cb 0.00 0.01 0.00 0.00 -0.11 0.00 0.00 41.96 41.86 2qkp s TYR 326 CO 0.00 -0.06 0.18 -0.51 -1.11 0.00 0.00 175.55 174.05 2qkp s LEU 327 N -0.15 1.44 0.57 -1.29 1.43 -0.41 -4.82 118.68 115.45 2qkp s LEU 327 Ca -0.02 -0.45 -0.05 0.00 -1.03 0.00 0.00 54.13 52.58 2qkp s LEU 327 Cb -0.02 0.92 0.00 0.00 0.03 0.00 0.00 46.19 47.13 2qkp s LEU 327 CO 0.00 -0.58 0.88 -0.94 0.23 0.00 0.00 176.35 175.94 2qkp s SER 328 N -2.24 5.66 0.25 2.29 1.04 -1.26 -1.09 113.70 118.36 2qkp s SER 328 Ca -0.03 0.71 -0.03 0.00 0.48 0.00 0.00 55.95 57.08 2qkp s SER 328 Cb 0.00 -1.74 0.43 0.00 0.10 0.00 0.00 66.02 64.81 2qkp s SER 328 CO -0.05 -1.00 1.82 0.58 0.98 0.00 0.00 173.24 175.56 2qkp h VAL 329 N -0.11 0.92 -0.67 5.02 2.07 -1.71 -0.28 116.25 121.48 2qkp h VAL 329 Ca -0.46 -0.29 0.03 0.00 0.82 0.00 0.00 66.70 66.80 2qkp h VAL 329 Cb 1.25 -0.00 -0.04 0.00 -1.52 0.00 0.00 31.29 30.98 2qkp h VAL 329 CO 0.60 0.15 0.42 -0.08 0.02 0.00 0.00 177.57 178.69 2qkp h GLU 330 N 0.85 0.80 -0.30 1.57 4.81 -1.44 0.74 114.58 121.61 2qkp h GLU 330 Ca 0.42 -0.05 -0.18 0.00 -0.13 0.00 0.00 59.36 59.43 2qkp h GLU 330 Cb 0.38 -0.18 -0.00 0.00 0.63 0.00 0.00 28.75 29.58 2qkp h GLU 330 CO -0.25 0.53 -0.51 1.96 -0.73 0.00 0.00 179.01 180.02 2qkp h GLN 331 N 0.83 0.85 -0.51 1.92 4.20 -1.67 -0.52 115.11 120.20 2qkp h GLN 331 Ca 0.27 -0.51 -0.03 0.00 0.06 0.00 0.00 58.65 58.43 2qkp h GLN 331 Cb 0.01 0.05 -0.02 0.00 0.30 0.00 0.00 27.48 27.82 2qkp h GLN 331 CO -0.10 1.15 0.18 0.00 -0.67 0.00 0.00 178.83 179.39 2qkp h ALA 332 N 0.75 0.67 -0.35 3.87 0.00 -0.67 -0.22 119.26 123.30 2qkp h ALA 332 Ca 0.03 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.77 2qkp h ALA 332 Cb 1.10 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.68 2qkp h ALA 332 CO 0.11 0.30 0.23 -0.97 0.00 0.00 0.00 179.25 178.92 2qkp h ASN 333 N 0.69 0.41 -0.81 0.00 -1.24 -0.74 -1.37 115.58 112.52 2qkp h ASN 333 Ca 0.17 -0.01 0.05 0.00 0.71 0.00 0.00 56.30 57.22 2qkp h ASN 333 Cb 0.23 -0.10 -0.06 0.00 0.73 0.00 0.00 38.32 39.12 2qkp h ASN 333 CO -0.01 0.30 0.49 -0.07 -1.29 0.00 0.00 177.43 176.85 2qkp h LEU 334 N 0.48 0.78 -0.22 0.34 3.38 -0.75 -1.84 115.31 117.49 2qkp h LEU 334 Ca 0.13 0.01 -0.00 0.00 0.09 0.00 0.00 57.88 58.11 2qkp h LEU 334 Cb -0.05 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.54 2qkp h LEU 334 CO -0.03 0.51 0.12 0.40 0.09 0.00 0.00 178.44 179.53 2qkp h ILE 335 N 0.92 1.12 -0.42 1.22 2.04 -0.69 -1.48 117.51 120.21 2qkp h ILE 335 Ca 0.35 -0.32 0.01 0.00 1.00 0.00 0.00 64.86 65.90 2qkp h ILE 335 Cb 0.14 0.93 -0.02 0.00 -0.74 0.00 0.00 36.82 37.13 2qkp h ILE 335 CO -0.16 0.11 0.28 -0.07 0.00 0.00 0.00 178.15 178.31 2qkp h LEU 336 N 0.24 0.46 -0.09 1.44 3.38 -0.96 -1.35 115.31 118.43 2qkp h LEU 336 Ca 0.08 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.04 2qkp h LEU 336 Cb 0.08 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 40.71 2qkp h LEU 336 CO -0.01 0.33 0.00 0.78 0.09 0.00 0.00 178.44 179.63 2qkp h ASN 337 N 0.54 0.00 -0.01 -0.43 2.35 -0.86 -3.30 115.58 113.86 2qkp h ASN 337 Ca 0.16 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.91 2qkp h ASN 337 Cb -0.01 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.36 2qkp h ASN 337 CO -0.04 0.00 -0.31 1.41 -1.65 0.00 0.00 177.43 176.84 2qkp n HIS 338 N -2.66 0.00 -2.50 1.19 8.25 -0.55 -4.32 115.22 114.64 2qkp n HIS 338 Ca 0.05 0.00 -0.34 0.00 -0.26 0.00 0.00 57.72 57.17 2qkp n HIS 338 Cb 0.46 -0.01 -0.03 0.00 1.12 0.00 0.00 29.99 31.54 2qkp n HIS 338 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 2qkp s LEU 339 N -2.32 3.81 -0.17 2.41 1.43 -0.97 -4.92 118.68 117.94 2qkp s LEU 339 Ca 0.22 1.91 -0.04 0.00 -1.03 0.00 0.00 54.13 55.19 2qkp s LEU 339 Cb 0.19 -4.56 -0.08 0.00 0.03 0.00 0.00 46.19 41.77 2qkp s LEU 339 CO 0.48 -0.81 2.99 -0.81 0.23 0.00 0.00 176.35 178.43 2qkp n PRO 340 N -1.08 1.97 -3.88 1.29 -0.04 -1.26 -4.82 135.00 127.19 2qkp n PRO 340 Ca 0.09 -1.34 -0.11 0.00 -0.04 0.00 0.00 63.50 62.09 2qkp n PRO 340 Cb 0.53 -1.88 -0.12 0.00 -0.04 0.00 0.00 33.50 31.99 2qkp n PRO 340 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 2qkp s LEU 341 N -0.86 1.78 -0.27 1.53 1.43 -1.26 -4.57 118.68 116.46 2qkp s LEU 341 Ca 0.52 -0.05 -0.19 0.00 -1.03 0.00 0.00 54.13 53.39 2qkp s LEU 341 Cb 0.29 0.31 -0.02 0.00 0.03 0.00 0.00 46.19 46.80 2qkp s LEU 341 CO -0.07 -0.15 0.56 -1.61 0.23 0.00 0.00 176.35 175.31 2qkp s GLU 342 N -0.53 4.03 -0.06 1.70 2.02 -0.63 -4.80 118.70 120.43 2qkp s GLU 342 Ca -0.06 0.34 0.04 0.00 0.02 0.00 0.00 54.97 55.31 2qkp s GLU 342 Cb -0.04 -3.67 -0.02 0.00 0.10 0.00 0.00 34.13 30.50 2qkp s GLU 342 CO 0.00 -0.41 -0.16 0.42 0.02 0.00 0.00 175.26 175.13 2qkp s ILE 343 N 2.40 2.89 0.06 -1.63 1.01 -1.26 -1.05 121.20 123.62 2qkp s ILE 343 Ca 0.23 -0.78 0.03 0.00 0.00 0.00 0.00 60.65 60.13 2qkp s ILE 343 Cb -0.15 -2.13 -0.03 0.00 0.01 0.00 0.00 42.46 40.16 2qkp s ILE 343 CO 0.10 0.58 -0.09 0.42 0.00 0.00 0.00 174.94 175.94 2qkp s THR 344 N -0.53 0.73 -0.04 2.92 -4.23 0.15 -1.99 115.64 112.65 2qkp s THR 344 Ca 0.07 -1.25 0.01 0.00 -1.18 0.00 0.00 61.69 59.34 2qkp s THR 344 Cb -0.12 -0.87 0.02 0.00 1.34 0.00 0.00 72.50 72.87 2qkp s THR 344 CO 0.01 -0.40 -0.06 0.12 -0.54 0.00 0.00 174.62 173.76 2qkp s PHE 345 N -1.62 0.80 -0.12 3.99 5.36 -0.07 -1.17 117.98 125.15 2qkp s PHE 345 Ca -0.05 -0.22 0.01 0.00 -0.96 0.00 0.00 56.93 55.71 2qkp s PHE 345 Cb -0.08 -0.66 -0.01 0.00 -0.34 0.00 0.00 43.02 41.93 2qkp s PHE 345 CO 0.00 -0.17 -0.17 0.08 -1.46 0.00 0.00 175.22 173.51 2qkp s VAL 346 N 0.72 2.74 0.88 3.12 1.01 -0.62 -1.74 120.40 126.52 2qkp s VAL 346 Ca -0.10 -0.78 -0.11 0.00 0.00 0.00 0.00 61.98 61.00 2qkp s VAL 346 Cb -0.13 -2.12 0.20 0.00 0.00 0.00 0.00 36.38 34.32 2qkp s VAL 346 CO 0.01 0.54 1.21 -0.46 0.00 0.00 0.00 175.10 176.39 2qkp n ASN 347 N 3.52 0.54 0.02 3.32 0.23 -0.40 -0.70 115.26 121.79 2qkp n ASN 347 Ca -0.18 -1.71 0.06 0.00 -0.53 0.00 0.00 54.58 52.22 2qkp n ASN 347 Cb 0.53 -0.88 0.28 0.00 -2.08 0.00 0.00 39.78 37.62 2qkp n ASN 347 CO 0.00 0.00 0.00 2.29 -0.93 0.00 0.00 177.26 178.62 2qkp n LYS 348 N -3.46 0.02 -0.74 -3.83 2.85 -1.19 -1.42 118.16 110.39 2qkp n LYS 348 Ca 0.16 0.33 0.07 0.00 -1.05 0.00 0.00 58.31 57.83 2qkp n LYS 348 Cb 0.58 -1.55 0.36 0.00 -0.65 0.00 0.00 35.03 33.77 2qkp n LYS 348 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 177.40 177.10 2qkp n ASP 349 N -1.60 5.07 -1.26 -5.58 8.00 -1.26 -4.95 116.55 114.98 2qkp n ASP 349 Ca 0.03 -2.70 -0.16 0.00 0.71 0.00 0.00 54.79 52.66 2qkp n ASP 349 Cb 0.14 -0.63 -0.07 0.00 -0.02 0.00 0.00 41.12 40.54 2qkp n ASP 349 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 2qkp n ASP 350 N 0.76 -4.97 -4.65 -2.24 8.00 -0.51 -4.95 116.55 107.99 2qkp n ASP 350 Ca 0.25 0.40 -0.40 0.00 0.71 0.00 0.00 54.79 55.76 2qkp n ASP 350 Cb 1.03 -3.91 -0.07 0.00 -0.02 0.00 0.00 41.12 38.15 2qkp n ASP 350 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 2qkp s ILE 351 N -2.61 5.08 -0.41 0.53 -1.09 -1.26 -0.01 121.20 121.43 2qkp s ILE 351 Ca 0.00 0.96 -0.28 0.00 -2.23 0.00 0.00 60.65 59.10 2qkp s ILE 351 Cb 0.00 -3.85 -0.02 0.00 -1.58 0.00 0.00 42.46 37.01 2qkp s ILE 351 CO 0.00 0.13 1.79 0.12 -1.23 0.00 0.00 174.94 175.75 2qkp s PHE 352 N 1.93 1.81 -0.17 3.97 5.99 -0.07 -1.27 117.98 130.16 2qkp s PHE 352 Ca 0.24 0.69 0.13 0.00 0.00 0.00 0.00 56.93 57.99 2qkp s PHE 352 Cb -0.15 -4.13 -0.23 0.00 0.00 0.00 0.00 43.02 38.50 2qkp s PHE 352 CO 0.09 -2.69 0.16 1.04 -0.00 0.00 0.00 175.22 173.82 2qkp n GLN 353 N 8.59 0.68 -3.66 10.12 6.02 -0.71 -0.25 117.38 138.16 2qkp n GLN 353 Ca 0.22 0.09 -0.14 0.00 -0.01 0.00 0.00 57.00 57.16 2qkp n GLN 353 Cb 0.48 -1.58 -0.08 0.00 1.02 0.00 0.00 30.24 30.08 2qkp n GLN 353 CO 0.00 0.00 0.00 -0.47 -1.01 0.00 0.00 177.06 175.58 2qkp s TYR 354 N -2.52 -0.69 0.01 1.08 5.04 -1.18 -4.67 117.35 114.41 2qkp s TYR 354 Ca -0.13 1.68 -0.04 0.00 -2.44 0.00 0.00 57.07 56.13 2qkp s TYR 354 Cb 0.07 0.24 -0.01 0.00 0.35 0.00 0.00 41.96 42.61 2qkp s TYR 354 CO 0.79 -0.33 0.06 1.52 -1.34 0.00 0.00 175.55 176.25 2qkp s TYR 355 N 0.37 0.12 0.86 4.97 -0.85 -1.26 -0.89 117.35 120.67 2qkp s TYR 355 Ca -0.00 -0.28 -0.12 0.00 -0.52 0.00 0.00 57.07 56.15 2qkp s TYR 355 Cb -0.04 -0.10 0.11 0.00 0.38 0.00 0.00 41.96 42.30 2qkp s TYR 355 CO 0.00 -0.23 1.16 0.54 -1.52 0.00 0.00 175.55 175.50 2qkp s ASN 356 N -1.32 3.97 -0.94 -0.18 4.22 -0.84 -4.99 114.94 114.86 2qkp s ASN 356 Ca -0.14 0.88 -0.02 0.00 -2.14 0.00 0.00 52.86 51.44 2qkp s ASN 356 Cb -0.08 -1.42 0.25 0.00 1.28 0.00 0.00 41.25 41.28 2qkp s ASN 356 CO 0.00 -2.25 0.99 -0.67 -2.04 0.00 0.00 177.10 173.14 2qkp n ASP 357 N -3.56 4.86 -0.04 3.54 2.03 -1.26 -4.85 116.55 117.28 2qkp n ASP 357 Ca 0.07 -3.22 -0.02 0.00 0.52 0.00 0.00 54.79 52.13 2qkp n ASP 357 Cb 0.60 -1.10 -0.01 0.00 -0.72 0.00 0.00 41.12 39.89 2qkp n ASP 357 CO 0.00 0.00 0.00 -1.54 -1.92 0.00 0.00 177.20 173.74 2qkp n SER 358 N 1.93 0.92 -4.52 1.67 3.41 -1.26 -4.74 113.62 111.04 2qkp n SER 358 Ca 0.24 0.43 -0.26 0.00 -0.26 0.00 0.00 58.87 59.02 2qkp n SER 358 Cb 0.37 -0.69 -0.10 0.00 -0.26 0.00 0.00 64.21 63.53 2qkp n SER 358 CO 0.00 0.00 0.00 0.68 -0.16 0.00 0.00 175.04 175.56 2qkp s VAL 359 N -1.64 2.86 0.53 -3.33 -7.23 -1.26 -5.00 120.40 105.32 2qkp s VAL 359 Ca -0.08 -1.87 -0.22 0.00 -1.81 0.00 0.00 61.98 58.00 2qkp s VAL 359 Cb 0.01 -2.42 -0.06 0.00 0.56 0.00 0.00 36.38 34.47 2qkp s VAL 359 CO 0.12 -0.16 1.29 -2.65 -0.31 0.00 0.00 175.10 173.39 2qkp n PRO 360 N -0.02 1.63 -0.34 4.82 -0.02 -1.26 -4.82 135.00 134.99 2qkp n PRO 360 Ca -0.10 0.60 0.24 0.00 -2.02 0.00 0.00 63.50 62.21 2qkp n PRO 360 Cb 0.56 -2.49 0.51 0.00 -0.02 0.00 0.00 33.50 32.07 2qkp n PRO 360 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2qkp h ALA 361 N 1.43 2.24 0.00 3.55 0.00 -1.99 0.12 119.26 124.61 2qkp h ALA 361 Ca -0.50 0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.49 2qkp h ALA 361 Cb 1.31 0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.15 2qkp h ALA 361 CO 0.57 -0.69 0.00 0.00 0.00 0.00 0.00 179.25 179.13 2qkp n ALA 362 N -2.46 2.01 -0.30 0.00 0.00 -1.26 -3.73 120.51 114.77 2qkp n ALA 362 Ca 0.27 0.01 0.06 0.00 0.00 0.00 0.00 53.44 53.79 2qkp n ALA 362 Cb 0.94 -1.42 0.18 0.00 0.00 0.00 0.00 19.45 19.15 2qkp n ALA 362 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 2qkp n GLU 363 N -2.15 2.90 -2.40 0.00 1.02 0.41 -5.02 120.64 115.40 2qkp n GLU 363 Ca 0.04 -2.21 -0.38 0.00 -0.02 0.00 0.00 57.16 54.59 2qkp n GLU 363 Cb 0.33 -1.37 -0.03 0.00 -0.02 0.00 0.00 31.44 30.35 2qkp n GLU 363 CO 0.00 0.00 0.00 -1.64 1.18 0.00 0.00 177.13 176.67 2qkp s MET 364 N -1.24 4.22 0.04 3.49 -1.94 -1.23 -4.93 119.30 117.71 2qkp s MET 364 Ca 0.28 1.75 -0.25 0.00 -1.71 0.00 0.00 55.69 55.77 2qkp s MET 364 Cb 0.16 -2.76 -0.17 0.00 2.01 0.00 0.00 34.83 34.06 2qkp s MET 364 CO 0.16 -0.15 1.51 0.28 -0.01 0.00 0.00 175.02 176.81 2qkp h VAL 365 N 2.48 1.12 -3.61 -6.03 2.07 -1.95 -3.38 116.25 106.95 2qkp h VAL 365 Ca -0.48 -0.51 -0.67 0.00 0.82 0.00 0.00 66.70 65.86 2qkp h VAL 365 Cb 1.22 1.45 -0.38 0.00 -1.52 0.00 0.00 31.29 32.07 2qkp h VAL 365 CO 0.63 0.13 -0.65 -0.36 0.02 0.00 0.00 177.57 177.34 2qkp s PHE 366 N -5.29 3.69 0.21 1.57 0.08 -1.26 -5.07 117.98 111.91 2qkp s PHE 366 Ca -0.14 -2.77 -0.32 0.00 0.12 0.00 0.00 56.93 53.81 2qkp s PHE 366 Cb 0.04 -3.05 -0.13 0.00 -0.57 0.00 0.00 43.02 39.31 2qkp s PHE 366 CO 0.66 -0.96 1.64 1.17 -0.10 0.00 0.00 175.22 177.63 2qkp n LYS 367 N 4.38 2.53 -4.29 0.44 3.00 -1.26 -5.00 118.16 117.95 2qkp n LYS 367 Ca 0.02 0.91 -0.23 0.00 -0.00 0.00 0.00 58.31 59.01 2qkp n LYS 367 Cb 0.42 -2.71 -0.12 0.00 0.00 0.00 0.00 35.03 32.61 2qkp n LYS 367 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.40 178.43 2qkp s ARG 368 N 0.77 1.15 0.09 1.64 1.81 -1.26 -5.15 118.95 118.01 2qkp s ARG 368 Ca 0.74 -1.23 0.04 0.00 -1.72 0.00 0.00 55.73 53.57 2qkp s ARG 368 Cb -0.57 -1.34 -0.03 0.00 -0.45 0.00 0.00 34.95 32.56 2qkp s ARG 368 CO 0.37 0.30 -0.12 0.95 -0.68 0.00 0.00 175.30 176.13 2qkp s THR 369 N -1.45 1.02 0.61 0.02 -4.23 -1.26 -5.03 115.64 105.32 2qkp s THR 369 Ca 0.09 -1.54 0.30 0.00 -1.18 0.00 0.00 61.69 59.36 2qkp s THR 369 Cb -0.09 -1.27 0.36 0.00 1.34 0.00 0.00 72.50 72.84 2qkp s THR 369 CO 0.05 -0.45 2.05 -0.65 -0.54 0.00 0.00 174.62 175.08 2qkp h PRO 370 N 3.78 0.00 0.00 3.99 0.11 -2.02 -1.18 132.00 136.68 2qkp h PRO 370 Ca -0.38 0.00 -0.06 0.00 0.11 0.00 0.00 66.00 65.67 2qkp h PRO 370 Cb 1.19 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.29 2qkp h PRO 370 CO 0.49 0.00 -0.28 0.77 -0.21 0.00 0.00 178.00 178.77 2qkp h SER 371 N 0.00 0.00 1.48 -2.05 0.02 -2.04 -2.59 113.55 108.37 2qkp h SER 371 Ca 0.09 0.00 -0.07 0.00 -0.84 0.00 0.00 61.79 60.97 2qkp h SER 371 Cb 0.63 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.16 2qkp h SER 371 CO -0.00 0.28 -0.34 1.56 -1.14 0.00 0.00 176.83 177.19 2qkp h GLN 372 N 0.00 0.00 -6.79 3.45 4.20 -1.63 -3.46 115.11 110.89 2qkp h GLN 372 Ca -0.00 0.00 -0.53 0.00 0.06 0.00 0.00 58.65 58.18 2qkp h GLN 372 Cb 0.58 0.00 0.08 0.00 0.30 0.00 0.00 27.48 28.44 2qkp h GLN 372 CO 0.04 0.34 0.86 0.08 -0.67 0.00 0.00 178.83 179.47 2qkp s VAL 373 N -3.16 2.20 0.00 -0.54 1.01 -0.98 -2.10 120.40 116.83 2qkp s VAL 373 Ca 0.04 0.17 0.00 0.00 0.00 0.00 0.00 61.98 62.19 2qkp s VAL 373 Cb 0.08 -3.11 0.00 0.00 0.00 0.00 0.00 36.38 33.35 2qkp s VAL 373 CO 0.71 0.03 0.00 0.61 0.00 0.00 0.00 175.10 176.44 2qkp n GLY 374 N 2.19 1.58 3.84 4.51 0.00 0.65 -5.03 105.19 112.93 2qkp n GLY 374 Ca 0.08 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.76 2qkp n GLY 374 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2qkp s ARG 375 N -0.50 4.04 0.46 1.61 0.52 -0.89 -4.80 118.95 119.39 2qkp s ARG 375 Ca 0.00 0.62 -0.24 0.00 -0.52 0.00 0.00 55.73 55.59 2qkp s ARG 375 Cb 0.00 -2.73 -0.08 0.00 0.52 0.00 0.00 34.95 32.66 2qkp s ARG 375 CO 0.00 0.33 1.25 -1.71 0.02 0.00 0.00 175.30 175.19 2qkp n ASN 376 N 0.29 2.36 0.21 0.23 2.85 -1.26 -0.89 115.26 119.05 2qkp n ASN 376 Ca -0.01 1.05 0.14 0.00 -0.11 0.00 0.00 54.58 55.65 2qkp n ASN 376 Cb 0.52 -1.50 0.77 0.00 1.24 0.00 0.00 39.78 40.81 2qkp n ASN 376 CO 0.00 0.00 0.00 1.62 -2.11 0.00 0.00 177.26 176.77 2qkp h VAL 377 N 1.78 0.68 0.00 3.44 3.04 -0.79 -1.27 116.25 123.14 2qkp h VAL 377 Ca -0.48 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.21 2qkp h VAL 377 Cb 1.30 0.90 0.00 0.00 -2.01 0.00 0.00 31.29 31.49 2qkp h VAL 377 CO 0.58 0.00 0.00 -0.62 -1.01 0.00 0.00 177.57 176.52 2qkp n GLU 378 N -4.13 0.07 0.00 4.17 1.02 -1.26 -1.05 120.64 119.46 2qkp n GLU 378 Ca 0.01 0.40 0.11 0.00 -0.02 0.00 0.00 57.16 57.66 2qkp n GLU 378 Cb 0.25 -1.65 0.07 0.00 -0.02 0.00 0.00 31.44 30.08 2qkp n GLU 378 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 2qkp n LEU 379 N -1.78 2.58 -0.81 -4.62 4.77 -0.48 -4.51 117.00 112.15 2qkp n LEU 379 Ca 0.02 -0.94 0.11 0.00 -0.03 0.00 0.00 56.01 55.17 2qkp n LEU 379 Cb 0.13 0.00 0.08 0.00 -2.33 0.00 0.00 43.42 41.29 2qkp n LEU 379 CO 0.11 0.45 0.55 0.00 -1.33 0.00 0.00 177.39 177.17 2qkp s HIS 381 N -1.90 0.15 0.75 0.00 3.76 -1.25 -5.10 115.29 111.71 2qkp s HIS 381 Ca 0.24 -0.32 -0.14 0.00 -0.15 0.00 0.00 55.06 54.69 2qkp s HIS 381 Cb 0.18 -0.12 0.05 0.00 1.11 0.00 0.00 32.58 33.80 2qkp s HIS 381 CO 0.31 -0.16 1.18 -1.25 -0.85 0.00 0.00 174.74 173.97 2qkp s PRO 382 N -1.10 2.04 0.29 8.40 0.04 -1.26 -4.66 135.00 138.75 2qkp s PRO 382 Ca -0.12 1.67 0.02 0.00 0.04 0.00 0.00 61.00 62.61 2qkp s PRO 382 Cb -0.07 -1.83 0.73 0.00 0.04 0.00 0.00 34.50 33.36 2qkp s PRO 382 CO -0.00 -1.89 1.62 -1.35 0.04 0.00 0.00 177.00 175.41 2qkp h PRO 383 N -0.54 0.11 -0.13 0.56 0.11 -1.99 -0.15 132.00 129.98 2qkp h PRO 383 Ca -0.47 -0.01 -0.22 0.00 0.11 0.00 0.00 66.00 65.42 2qkp h PRO 383 Cb 1.28 -0.03 0.01 0.00 0.11 0.00 0.00 31.00 32.38 2qkp h PRO 383 CO 0.49 0.08 -0.79 1.57 -0.21 0.00 0.00 178.00 179.14 2qkp h LYS 384 N 0.12 0.73 -0.42 1.05 -0.00 -2.02 -2.60 116.57 113.42 2qkp h LYS 384 Ca 0.57 -0.60 -0.04 0.00 -0.00 0.00 0.00 60.65 60.57 2qkp h LYS 384 Cb 1.17 0.13 -0.02 0.00 -0.00 0.00 0.00 32.23 33.51 2qkp h LYS 384 CO -0.75 1.21 0.11 0.28 -0.00 0.00 0.00 179.45 180.31 2qkp h VAL 385 N 0.49 1.23 -0.88 0.07 2.07 -1.83 -3.31 116.25 114.09 2qkp h VAL 385 Ca -0.05 -0.77 0.06 0.00 0.82 0.00 0.00 66.70 66.76 2qkp h VAL 385 Cb 1.41 0.93 -0.06 0.00 -1.52 0.00 0.00 31.29 32.06 2qkp h VAL 385 CO 0.16 0.27 0.55 0.25 0.02 0.00 0.00 177.57 178.82 2qkp h LEU 386 N 0.53 0.87 -0.94 2.57 5.85 -0.80 -1.82 115.31 121.57 2qkp h LEU 386 Ca 0.13 0.01 0.03 0.00 0.84 0.00 0.00 57.88 58.90 2qkp h LEU 386 Cb 0.30 -0.17 -0.06 0.00 0.37 0.00 0.00 40.66 41.10 2qkp h LEU 386 CO -0.00 0.57 0.61 0.44 -0.34 0.00 0.00 178.44 179.72 2qkp h ASP 387 N 1.01 1.03 -0.25 1.25 3.32 -1.56 0.52 116.42 121.74 2qkp h ASP 387 Ca 0.38 -0.01 -0.10 0.00 0.02 0.00 0.00 57.03 57.32 2qkp h ASP 387 Cb 0.14 -0.23 -0.00 0.00 0.22 0.00 0.00 39.33 39.45 2qkp h ASP 387 CO -0.16 0.70 -0.22 0.11 -1.72 0.00 0.00 179.24 177.95 2qkp h LYS 388 N 1.19 0.59 -0.70 3.56 1.57 -1.60 -2.87 116.57 118.32 2qkp h LYS 388 Ca 0.37 -0.30 0.07 0.00 -1.87 0.00 0.00 60.65 58.93 2qkp h LYS 388 Cb -0.00 0.00 -0.06 0.00 0.08 0.00 0.00 32.23 32.25 2qkp h LYS 388 CO -0.12 0.89 0.38 0.28 -0.57 0.00 0.00 179.45 180.31 2qkp h VAL 389 N 0.31 0.93 -0.79 0.50 2.07 -0.84 -1.86 116.25 116.56 2qkp h VAL 389 Ca 0.04 -0.24 -0.01 0.00 0.82 0.00 0.00 66.70 67.32 2qkp h VAL 389 Cb 0.76 0.19 -0.04 0.00 -1.52 0.00 0.00 31.29 30.68 2qkp h VAL 389 CO 0.06 0.13 0.46 0.11 0.02 0.00 0.00 177.57 178.35 2qkp h LYS 390 N 0.69 1.09 -0.56 1.57 1.57 -0.84 -0.70 116.57 119.38 2qkp h LYS 390 Ca 0.32 -0.11 -0.10 0.00 -1.87 0.00 0.00 60.65 58.89 2qkp h LYS 390 Cb 0.25 -0.22 -0.02 0.00 0.08 0.00 0.00 32.23 32.31 2qkp h LYS 390 CO -0.21 0.78 -0.05 0.87 -0.57 0.00 0.00 179.45 180.27 2qkp h LYS 391 N 1.09 1.01 -0.13 3.15 1.57 -1.22 -1.06 116.57 120.99 2qkp h LYS 391 Ca 0.28 -0.34 0.01 0.00 -1.87 0.00 0.00 60.65 58.74 2qkp h LYS 391 Cb -0.02 -0.08 -0.01 0.00 0.08 0.00 0.00 32.23 32.20 2qkp h LYS 391 CO -0.05 1.02 0.03 0.28 -0.57 0.00 0.00 179.45 180.16 2qkp h VAL 392 N 0.92 0.96 -0.68 0.50 2.07 -0.98 -2.27 116.25 116.75 2qkp h VAL 392 Ca 0.16 -0.03 -0.01 0.00 0.82 0.00 0.00 66.70 67.64 2qkp h VAL 392 Cb 0.60 0.86 -0.03 0.00 -1.52 0.00 0.00 31.29 31.19 2qkp h VAL 392 CO 0.04 0.02 0.39 -0.26 0.02 0.00 0.00 177.57 177.77 2qkp h PHE 393 N 0.09 0.91 -0.41 1.57 -1.00 -0.77 -2.03 116.94 115.30 2qkp h PHE 393 Ca 0.05 -0.01 -0.04 0.00 2.81 0.00 0.00 57.97 60.79 2qkp h PHE 393 Cb 0.04 -0.30 -0.02 0.00 3.61 0.00 0.00 35.95 39.29 2qkp h PHE 393 CO -0.11 0.63 0.11 1.49 -1.61 0.00 0.00 178.31 178.81 2qkp h GLU 394 N 0.95 0.66 -0.41 1.51 4.81 -1.02 -0.82 114.58 120.25 2qkp h GLU 394 Ca 0.24 -0.15 0.01 0.00 -0.13 0.00 0.00 59.36 59.34 2qkp h GLU 394 Cb 0.00 -0.09 -0.03 0.00 0.63 0.00 0.00 28.75 29.27 2qkp h GLU 394 CO -0.04 0.67 0.25 -0.07 -0.73 0.00 0.00 179.01 179.09 2qkp h LEU 395 N 0.53 0.42 -0.11 1.64 3.38 -1.03 -1.00 115.31 119.14 2qkp h LEU 395 Ca 0.13 -0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.08 2qkp h LEU 395 Cb 0.30 -0.09 -0.00 0.00 0.09 0.00 0.00 40.66 40.95 2qkp h LEU 395 CO -0.00 0.30 -0.01 -0.07 0.09 0.00 0.00 178.44 178.74 2qkp h LEU 396 N 0.51 0.21 -0.79 1.67 3.38 -1.27 -1.95 115.31 117.07 2qkp h LEU 396 Ca 0.16 -0.34 -0.04 0.00 0.09 0.00 0.00 57.88 57.75 2qkp h LEU 396 Cb -0.01 -0.06 -0.04 0.00 0.09 0.00 0.00 40.66 40.65 2qkp h LEU 396 CO -0.07 0.50 0.35 -0.09 0.09 0.00 0.00 178.44 179.22 2qkp h ARG 397 N -0.09 1.16 0.00 1.13 2.43 -1.06 -2.26 114.38 115.69 2qkp h ARG 397 Ca 0.03 -0.19 0.00 0.00 -0.81 0.00 0.00 59.98 59.01 2qkp h ARG 397 Cb 0.40 -0.20 0.00 0.00 -0.42 0.00 0.00 29.97 29.75 2qkp h ARG 397 CO 0.01 0.92 0.00 0.09 -1.51 0.00 0.00 179.97 179.48 2qkp n ASN 398 N -4.32 0.00 -0.29 -3.80 3.02 -0.39 -4.87 115.26 104.60 2qkp n ASN 398 Ca 0.07 -0.05 -0.04 0.00 -0.03 0.00 0.00 54.58 54.53 2qkp n ASN 398 Cb 0.16 -0.27 -0.01 0.00 -0.61 0.00 0.00 39.78 39.04 2qkp n ASN 398 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2qkp n GLY 399 N 0.56 0.59 0.22 7.41 0.00 -0.85 -4.93 105.19 108.20 2qkp n GLY 399 Ca 0.11 -0.89 -0.11 0.00 0.00 0.00 0.00 46.02 45.12 2qkp n GLY 399 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 2qkp h GLN 400 N 0.00 0.64 -4.11 1.61 4.20 -1.60 -3.45 115.11 112.40 2qkp h GLN 400 Ca -0.07 -0.42 -0.13 0.00 0.06 0.00 0.00 58.65 58.08 2qkp h GLN 400 Cb 0.36 0.06 -0.17 0.00 0.30 0.00 0.00 27.48 28.03 2qkp h GLN 400 CO 0.11 1.04 -0.65 1.03 -0.67 0.00 0.00 178.83 179.68 2qkp s ARG 401 N -3.98 0.54 0.09 1.46 0.52 -1.21 -5.05 118.95 111.33 2qkp s ARG 401 Ca -0.08 -1.00 0.19 0.00 -0.52 0.00 0.00 55.73 54.32 2qkp s ARG 401 Cb 0.11 0.19 -0.11 0.00 0.52 0.00 0.00 34.95 35.66 2qkp s ARG 401 CO 0.86 -0.11 0.83 -0.40 0.02 0.00 0.00 175.30 176.50 2qkp n ASP 402 N 0.55 0.73 -3.68 0.23 5.75 -1.26 -4.34 116.55 114.53 2qkp n ASP 402 Ca -0.17 0.30 -0.15 0.00 -0.01 0.00 0.00 54.79 54.76 2qkp n ASP 402 Cb 0.59 0.49 -0.08 0.00 -1.03 0.00 0.00 41.12 41.10 2qkp n ASP 402 CO 0.00 0.00 0.00 -1.59 -0.11 0.00 0.00 177.20 175.50 2qkp s LYS 403 N -3.13 0.81 -0.08 0.11 -2.85 -1.26 -0.96 119.74 112.38 2qkp s LYS 403 Ca -0.03 -0.07 0.04 0.00 -1.00 0.00 0.00 55.97 54.91 2qkp s LYS 403 Cb 0.09 0.37 0.00 0.00 -2.06 0.00 0.00 37.83 36.23 2qkp s LYS 403 CO 0.81 -0.24 -0.20 0.08 0.10 0.00 0.00 175.35 175.90 2qkp s VAL 404 N -1.37 1.75 0.05 1.79 1.01 0.15 -4.98 120.40 118.80 2qkp s VAL 404 Ca -0.12 -0.85 0.09 0.00 0.00 0.00 0.00 61.98 61.10 2qkp s VAL 404 Cb -0.03 -1.53 -0.03 0.00 0.00 0.00 0.00 36.38 34.79 2qkp s VAL 404 CO 0.06 0.49 -0.25 0.20 0.00 0.00 0.00 175.10 175.59 2qkp s ASN 405 N 0.39 3.26 0.06 3.32 -0.87 -1.26 -0.66 114.94 119.18 2qkp s ASN 405 Ca -0.16 -0.58 0.01 0.00 -1.57 0.00 0.00 52.86 50.56 2qkp s ASN 405 Cb -0.17 -0.33 -0.03 0.00 -0.02 0.00 0.00 41.25 40.70 2qkp s ASN 405 CO 0.07 0.26 -0.05 0.00 -2.57 0.00 0.00 177.10 174.80 2qkp s MET 406 N -1.30 0.64 0.02 -0.60 0.23 -0.57 -4.99 119.30 112.71 2qkp s MET 406 Ca 0.12 -1.08 -0.14 0.00 -1.03 0.00 0.00 55.69 53.56 2qkp s MET 406 Cb -0.10 -0.06 0.02 0.00 -1.53 0.00 0.00 34.83 33.15 2qkp s MET 406 CO 0.03 -0.03 0.30 1.67 -2.03 0.00 0.00 175.02 174.95 2qkp s TRP 407 N -2.94 -0.13 -0.02 3.16 -2.14 -1.26 0.19 118.94 115.80 2qkp s TRP 407 Ca 0.02 0.09 -0.28 0.00 2.66 0.00 0.00 56.10 58.58 2qkp s TRP 407 Cb 0.01 0.09 0.10 0.00 -3.10 0.00 0.00 33.47 30.56 2qkp s TRP 407 CO -0.05 -0.44 0.84 -0.59 -2.66 0.00 0.00 176.95 174.05 2qkp s PHE 408 N -1.98 -0.43 0.10 1.66 -0.12 -0.75 -5.01 117.98 111.46 2qkp s PHE 408 Ca -0.09 0.47 -0.28 0.00 -0.05 0.00 0.00 56.93 56.97 2qkp s PHE 408 Cb -0.03 0.50 -0.06 0.00 -0.63 0.00 0.00 43.02 42.80 2qkp s PHE 408 CO 0.00 -0.56 0.89 -0.65 -0.05 0.00 0.00 175.22 174.85 2qkp s GLN 409 N -2.46 4.64 -0.39 1.99 -1.52 -1.26 -0.71 119.66 119.95 2qkp s GLN 409 Ca 0.00 1.31 0.04 0.00 -1.95 0.00 0.00 55.36 54.77 2qkp s GLN 409 Cb -0.01 -3.36 0.11 0.00 -0.22 0.00 0.00 33.01 29.53 2qkp s GLN 409 CO -0.04 0.28 0.11 0.45 -0.25 0.00 0.00 175.29 175.84 2qkp s SER 410 N -0.17 4.68 0.26 5.90 0.15 0.31 -4.93 113.70 119.91 2qkp s SER 410 Ca 0.43 -2.37 0.01 0.00 0.70 0.00 0.00 55.95 54.72 2qkp s SER 410 Cb -0.23 -1.64 0.34 0.00 -1.71 0.00 0.00 66.02 62.78 2qkp s SER 410 CO 0.28 -0.35 1.68 -0.33 1.20 0.00 0.00 173.24 175.72 2qkp h GLU 411 N 7.35 0.54 -0.85 5.44 4.39 -1.97 -1.75 114.58 127.74 2qkp h GLU 411 Ca -0.05 -0.22 0.20 0.00 0.34 0.00 0.00 59.36 59.63 2qkp h GLU 411 Cb 0.99 -0.03 -0.15 0.00 -0.10 0.00 0.00 28.75 29.46 2qkp h GLU 411 CO 0.57 0.77 -0.02 -0.09 -1.16 0.00 0.00 179.01 179.07 2qkp h ARG 412 N 0.48 0.06 -0.01 2.33 2.43 -1.94 -2.84 114.38 114.89 2qkp h ARG 412 Ca 0.06 -0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.23 2qkp h ARG 412 Cb 0.72 -0.01 0.00 0.00 -0.42 0.00 0.00 29.97 30.26 2qkp h ARG 412 CO 0.06 0.04 -0.42 1.28 -1.51 0.00 0.00 179.97 179.41 2qkp n LEU 413 N -5.43 1.78 -2.83 3.80 4.32 -1.13 -4.96 117.00 112.55 2qkp n LEU 413 Ca 0.17 -0.75 -0.20 0.00 -0.02 0.00 0.00 56.01 55.20 2qkp n LEU 413 Cb 0.56 0.00 0.04 0.00 -1.62 0.00 0.00 43.42 42.40 2qkp n LEU 413 CO -0.01 0.34 0.06 0.61 -1.22 0.00 0.00 177.39 177.16 2qkp n GLY 414 N 1.28 -0.38 3.23 -0.72 0.00 -0.76 -5.01 105.19 102.83 2qkp n GLY 414 Ca 0.08 0.06 -0.21 0.00 0.00 0.00 0.00 46.02 45.94 2qkp n GLY 414 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2qkp s LYS 415 N -5.72 0.97 -0.28 1.61 1.02 -0.73 -4.99 119.74 111.63 2qkp s LYS 415 Ca 0.33 -1.05 -0.06 0.00 0.02 0.00 0.00 55.97 55.21 2qkp s LYS 415 Cb -0.15 -1.10 0.00 0.00 -0.52 0.00 0.00 37.83 36.06 2qkp s LYS 415 CO 0.41 0.25 0.06 0.12 -0.92 0.00 0.00 175.35 175.27 2qkp s PHE 416 N -1.21 3.12 -0.14 3.18 5.36 -1.26 -0.53 117.98 126.50 2qkp s PHE 416 Ca 0.02 -0.92 -0.12 0.00 -0.96 0.00 0.00 56.93 54.95 2qkp s PHE 416 Cb -0.10 -2.23 -0.05 0.00 -0.34 0.00 0.00 43.02 40.30 2qkp s PHE 416 CO 0.03 -0.55 0.25 0.08 -1.46 0.00 0.00 175.22 173.58 2qkp s VAL 417 N 1.51 5.32 -0.14 3.12 1.01 0.12 -0.79 120.40 130.54 2qkp s VAL 417 Ca 0.03 0.46 0.02 0.00 0.00 0.00 0.00 61.98 62.50 2qkp s VAL 417 Cb -0.17 -3.58 0.01 0.00 0.00 0.00 0.00 36.38 32.65 2qkp s VAL 417 CO 0.02 0.46 -0.21 -0.47 0.00 0.00 0.00 175.10 174.89 2qkp s TYR 418 N 0.04 2.63 -0.09 5.22 5.04 -0.09 -1.81 117.35 128.29 2qkp s TYR 418 Ca 0.16 -1.36 0.02 0.00 -2.44 0.00 0.00 57.07 53.44 2qkp s TYR 418 Cb -0.13 -1.80 -0.02 0.00 0.35 0.00 0.00 41.96 40.36 2qkp s TYR 418 CO 0.04 -0.63 -0.15 0.08 -1.34 0.00 0.00 175.55 173.54 2qkp s VAL 419 N 0.90 2.91 -0.05 3.14 1.01 0.13 -1.19 120.40 127.25 2qkp s VAL 419 Ca -0.05 -0.74 0.03 0.00 0.00 0.00 0.00 61.98 61.22 2qkp s VAL 419 Cb -0.15 -2.17 0.00 0.00 0.00 0.00 0.00 36.38 34.06 2qkp s VAL 419 CO -0.04 0.56 -0.15 -0.89 0.00 0.00 0.00 175.10 174.58 2qkp s THR 420 N -0.10 1.27 -0.21 3.92 2.01 -0.12 -1.52 115.64 120.89 2qkp s THR 420 Ca -0.02 -0.60 -0.05 0.00 0.31 0.00 0.00 61.69 61.32 2qkp s THR 420 Cb -0.14 -1.12 -0.02 0.00 0.01 0.00 0.00 72.50 71.23 2qkp s THR 420 CO 0.04 0.38 -0.00 -0.31 -0.69 0.00 0.00 174.62 174.03 2qkp s TYR 421 N 0.27 3.03 0.01 4.92 2.02 0.16 -1.22 117.35 126.54 2qkp s TYR 421 Ca -0.08 -0.52 0.07 0.00 -0.37 0.00 0.00 57.07 56.17 2qkp s TYR 421 Cb -0.13 -2.10 -0.02 0.00 -0.40 0.00 0.00 41.96 39.32 2qkp s TYR 421 CO 0.03 -0.29 -0.20 0.00 -1.57 0.00 0.00 175.55 173.51 2qkp s ALA 422 N 1.11 1.72 0.05 3.71 0.00 0.80 -0.67 121.76 128.47 2qkp s ALA 422 Ca 0.02 -0.96 -0.30 0.00 0.00 0.00 0.00 51.96 50.71 2qkp s ALA 422 Cb -0.14 -0.38 -0.05 0.00 0.00 0.00 0.00 23.12 22.54 2qkp s ALA 422 CO 0.01 0.40 1.16 0.00 0.00 0.00 0.00 175.76 177.33 2qkp s ALA 423 N -0.64 3.35 -0.31 0.00 0.00 -0.13 -0.80 121.76 123.23 2qkp s ALA 423 Ca 0.08 0.78 -0.15 0.00 0.00 0.00 0.00 51.96 52.67 2qkp s ALA 423 Cb -0.08 -3.43 -0.03 0.00 0.00 0.00 0.00 23.12 19.59 2qkp s ALA 423 CO 0.00 -0.40 0.35 0.08 0.00 0.00 0.00 175.76 175.79 2qkp s VAL 424 N 1.08 5.18 0.05 0.00 1.01 -0.14 -4.89 120.40 122.70 2qkp s VAL 424 Ca 0.57 0.26 0.06 0.00 0.00 0.00 0.00 61.98 62.88 2qkp s VAL 424 Cb -0.28 -3.74 -0.03 0.00 0.00 0.00 0.00 36.38 32.33 2qkp s VAL 424 CO 0.29 0.04 -0.18 -0.13 0.00 0.00 0.00 175.10 175.12 2qkp s ARG 425 N 2.02 1.16 0.83 2.72 0.52 -1.26 -0.08 118.95 124.85 2qkp s ARG 425 Ca 0.13 -0.91 -0.14 0.00 -0.52 0.00 0.00 55.73 54.29 2qkp s ARG 425 Cb -0.16 -1.25 0.19 0.00 0.52 0.00 0.00 34.95 34.25 2qkp s ARG 425 CO 0.11 0.31 1.13 -0.40 0.02 0.00 0.00 175.30 176.48 2qkp n ASP 426 N 1.73 0.14 -0.33 0.23 5.68 -0.86 -4.88 116.55 118.26 2qkp n ASP 426 Ca -0.18 -1.44 0.09 0.00 -0.50 0.00 0.00 54.79 52.76 2qkp n ASP 426 Cb 0.54 -0.86 0.29 0.00 -1.14 0.00 0.00 41.12 39.94 2qkp n ASP 426 CO 0.00 0.00 0.00 -0.61 -1.33 0.00 0.00 177.20 175.26 2qkp h GLN 427 N 0.00 0.86 0.00 0.11 4.15 -2.02 -1.29 115.11 116.93 2qkp h GLN 427 Ca -0.37 -0.05 0.00 0.00 0.77 0.00 0.00 58.65 59.00 2qkp h GLN 427 Cb 1.02 -0.19 0.00 0.00 0.21 0.00 0.00 27.48 28.52 2qkp h GLN 427 CO 0.26 0.57 0.00 0.00 -1.93 0.00 0.00 178.83 177.74 2qkp h ALA 428 N 1.57 1.00 0.00 3.38 0.00 -2.06 -3.46 119.26 119.69 2qkp h ALA 428 Ca 0.49 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.40 2qkp h ALA 428 Cb 0.58 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.37 2qkp h ALA 428 CO -0.25 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.41 2qkp n GLY 429 N -0.15 0.89 3.81 0.00 0.00 -0.48 -5.08 105.19 104.17 2qkp n GLY 429 Ca 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.68 2qkp n GLY 429 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2qkp s ASP 430 N -2.12 7.06 -0.11 1.61 1.01 -1.26 -4.79 116.67 118.07 2qkp s ASP 430 Ca 0.00 1.63 -0.29 0.00 0.71 0.00 0.00 52.55 54.61 2qkp s ASP 430 Cb 0.00 -2.51 -0.01 0.00 1.01 0.00 0.00 42.92 41.41 2qkp s ASP 430 CO 0.00 -0.18 0.97 0.12 0.21 0.00 0.00 175.17 176.29 2qkp s PHE 431 N -1.87 3.51 -0.41 4.23 5.36 -1.26 -2.02 117.98 125.52 2qkp s PHE 431 Ca 0.54 1.55 0.05 0.00 -0.96 0.00 0.00 56.93 58.11 2qkp s PHE 431 Cb -0.13 -3.15 -0.02 0.00 -0.34 0.00 0.00 43.02 39.38 2qkp s PHE 431 CO 0.18 -0.20 0.38 1.04 -1.46 0.00 0.00 175.22 175.16 2qkp n GLN 432 N 4.92 3.31 -0.24 10.12 1.13 0.88 -4.87 117.38 132.64 2qkp n GLN 432 Ca 0.08 -0.31 0.00 0.00 -1.94 0.00 0.00 57.00 54.83 2qkp n GLN 432 Cb 0.49 -0.87 0.00 0.00 0.11 0.00 0.00 30.24 29.97 2qkp n GLN 432 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2qkp n GLY 433 N 0.83 0.86 3.22 1.08 0.00 -1.21 -3.18 105.19 106.79 2qkp n GLY 433 Ca 0.02 -1.87 -0.32 0.00 0.00 0.00 0.00 46.02 43.85 2qkp n GLY 433 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2qkp s VAL 434 N -2.09 2.07 -0.24 1.61 1.01 0.12 -0.96 120.40 121.92 2qkp s VAL 434 Ca 0.00 -1.02 -0.09 0.00 0.00 0.00 0.00 61.98 60.88 2qkp s VAL 434 Cb 0.00 -1.79 -0.04 0.00 0.00 0.00 0.00 36.38 34.56 2qkp s VAL 434 CO 0.00 0.56 0.11 -0.22 0.00 0.00 0.00 175.10 175.55 2qkp s LEU 435 N 0.34 3.74 -0.14 3.92 2.96 0.02 -1.59 118.68 127.93 2qkp s LEU 435 Ca -0.19 -0.06 -0.03 0.00 -0.22 0.00 0.00 54.13 53.63 2qkp s LEU 435 Cb -0.18 -2.00 -0.03 0.00 0.50 0.00 0.00 46.19 44.48 2qkp s LEU 435 CO 0.09 0.01 -0.05 -0.70 -1.32 0.00 0.00 176.35 174.38 2qkp s GLU 436 N 1.34 3.56 -0.01 1.98 2.12 -0.31 -0.14 118.70 127.23 2qkp s GLU 436 Ca 0.06 -0.54 0.01 0.00 0.36 0.00 0.00 54.97 54.86 2qkp s GLU 436 Cb -0.15 -2.86 0.01 0.00 0.26 0.00 0.00 34.13 31.39 2qkp s GLU 436 CO 0.05 0.28 -0.04 1.52 -0.54 0.00 0.00 175.26 176.54 2qkp s TYR 437 N 0.24 0.43 -0.08 5.30 -0.85 -0.36 -0.67 117.35 121.35 2qkp s TYR 437 Ca -0.03 -0.08 0.05 0.00 -0.52 0.00 0.00 57.07 56.49 2qkp s TYR 437 Cb -0.14 -0.34 -0.01 0.00 0.38 0.00 0.00 41.96 41.86 2qkp s TYR 437 CO 0.03 -0.05 -0.24 0.08 -1.52 0.00 0.00 175.55 173.85 2qkp s VAL 438 N 0.22 2.10 0.04 -3.49 1.01 -0.21 -0.95 120.40 119.12 2qkp s VAL 438 Ca -0.02 -1.03 0.04 0.00 0.00 0.00 0.00 61.98 60.98 2qkp s VAL 438 Cb -0.05 -1.78 -0.02 0.00 0.00 0.00 0.00 36.38 34.52 2qkp s VAL 438 CO -0.00 0.56 -0.13 -1.58 0.00 0.00 0.00 175.10 173.95 2qkp s GLN 439 N 0.09 0.86 -0.24 2.72 0.74 -0.34 -1.60 119.66 121.90 2qkp s GLN 439 Ca -0.11 -0.74 -0.21 0.00 0.05 0.00 0.00 55.36 54.35 2qkp s GLN 439 Cb -0.16 -0.85 -0.02 0.00 1.10 0.00 0.00 33.01 33.08 2qkp s GLN 439 CO 0.06 0.21 0.64 0.34 -0.55 0.00 0.00 175.29 175.99 2qkp s ASP 440 N -1.17 6.62 0.00 6.67 2.15 -1.26 -0.91 116.67 128.77 2qkp s ASP 440 Ca 0.00 0.76 0.15 0.00 0.43 0.00 0.00 52.55 53.89 2qkp s ASP 440 Cb -0.08 -2.35 0.11 0.00 -0.30 0.00 0.00 42.92 40.30 2qkp s ASP 440 CO 0.01 -0.36 0.96 2.30 -0.17 0.00 0.00 175.17 177.91 2qkp n ILE 441 N 5.09 0.00 -0.26 4.11 -5.35 0.03 -4.58 119.36 118.39 2qkp n ILE 441 Ca -0.00 -0.48 0.05 0.00 -0.27 0.00 0.00 62.75 62.05 2qkp n ILE 441 Cb 0.49 1.30 0.19 0.00 -1.74 0.00 0.00 39.64 39.88 2qkp n ILE 441 CO 0.00 0.00 0.00 0.50 -1.76 0.00 0.00 176.55 175.29 2qkp h LYS 442 N 2.83 0.49 -0.50 6.28 3.64 -1.91 -1.35 116.57 126.05 2qkp h LYS 442 Ca 0.00 -0.03 0.14 0.00 -1.27 0.00 0.00 60.65 59.49 2qkp h LYS 442 Cb 0.62 -0.11 -0.02 0.00 -0.41 0.00 0.00 32.23 32.31 2qkp h LYS 442 CO 0.00 0.32 0.38 -1.35 -2.27 0.00 0.00 179.45 176.53 2qkp h PRO 443 N 0.50 0.00 0.00 1.90 0.11 -1.94 -1.98 132.00 130.59 2qkp h PRO 443 Ca 0.41 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 66.50 2qkp h PRO 443 Cb 0.59 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.70 2qkp h PRO 443 CO -0.37 0.00 -0.13 0.74 -0.21 0.00 0.00 178.00 178.03 2qkp h PHE 444 N 0.00 0.00 0.00 0.65 0.04 -1.57 -3.15 116.94 112.90 2qkp h PHE 444 Ca 0.24 0.00 0.00 0.00 2.80 0.00 0.00 57.97 61.01 2qkp h PHE 444 Cb 0.99 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.14 2qkp h PHE 444 CO 0.00 0.13 0.00 0.74 -0.60 0.00 0.00 178.31 178.58 2qkp h PHE 445 N 0.00 0.00 0.00 -0.55 0.05 -1.41 -2.11 116.94 112.92 2qkp h PHE 445 Ca -0.00 0.00 -0.14 0.00 3.82 0.00 0.00 57.97 61.65 2qkp h PHE 445 Cb 0.86 0.00 -0.02 0.00 2.00 0.00 0.00 35.95 38.79 2qkp h PHE 445 CO 0.00 0.00 -0.66 0.93 -0.18 0.00 0.00 178.31 178.40 2qkp h GLU 446 N 0.00 0.00 -0.01 1.51 3.07 -1.72 -3.24 114.58 114.20 2qkp h GLU 446 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 2qkp h GLU 446 Cb 0.23 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.14 2qkp h GLU 446 CO 0.00 0.66 0.00 1.28 -1.40 0.00 0.00 179.01 179.55 2qkp n LEU 447 N -3.52 0.35 -0.29 1.33 4.77 -0.79 -3.56 117.00 115.29 2qkp n LEU 447 Ca -0.00 -0.12 0.10 0.00 -0.03 0.00 0.00 56.01 55.96 2qkp n LEU 447 Cb 0.70 -0.00 0.26 0.00 -2.33 0.00 0.00 43.42 42.05 2qkp n LEU 447 CO 0.42 0.06 0.99 -0.78 -1.33 0.00 0.00 177.39 176.75 2qkp h ASP 448 N 0.54 0.18 0.16 -1.43 3.58 -1.67 -2.41 116.42 115.37 2qkp h ASP 448 Ca 0.00 0.16 -0.04 0.00 0.42 0.00 0.00 57.03 57.56 2qkp h ASP 448 Cb 0.11 0.17 -0.01 0.00 1.72 0.00 0.00 39.33 41.33 2qkp h ASP 448 CO 0.00 -0.03 -0.18 0.77 -2.88 0.00 0.00 179.24 176.92 2qkp h SER 449 N 0.34 0.06 -0.02 2.28 4.64 -1.86 -3.54 113.55 115.45 2qkp h SER 449 Ca 0.51 -0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.82 2qkp h SER 449 Cb 0.93 -0.02 0.00 0.00 -0.31 0.00 0.00 62.40 63.01 2qkp h SER 449 CO -0.54 0.25 0.00 -0.62 -0.87 0.00 0.00 176.83 175.05