#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qkp n ARG 316 N 0.00 0.18 0.00 -0.67 1.74 -1.26 -2.58 116.66 114.07 2qkp n ARG 316 Ca 0.00 0.37 0.10 0.00 -0.77 0.00 0.00 57.85 57.55 2qkp n ARG 316 Cb 0.00 -1.82 0.00 0.00 -1.02 0.00 0.00 32.46 29.63 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 -2.14 0.00 -2.60 0.55 -2.24 -1.26 -0.63 114.28 105.95 2qkp n THR 317 Ca 0.03 -0.30 -0.41 0.00 -2.27 0.00 0.00 64.05 61.09 2qkp n THR 317 Cb 0.25 1.25 -0.04 0.00 -2.10 0.00 0.00 70.33 69.69 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 -2.25 4.30 0.15 4.28 2.01 -1.06 -4.79 115.64 118.28 2qkp s THR 318 Ca 0.17 1.82 -0.31 0.00 0.31 0.00 0.00 61.69 63.68 2qkp s THR 318 Cb 0.16 -4.16 -0.09 0.00 0.01 0.00 0.00 72.50 68.43 2qkp s THR 318 CO 0.50 0.24 1.42 -1.10 -0.69 0.00 0.00 174.62 174.98 2qkp s GLN 319 N 0.29 4.30 0.09 4.92 -1.52 -1.26 -4.14 119.66 122.35 2qkp s GLN 319 Ca 0.51 2.15 0.06 0.00 -1.95 0.00 0.00 55.36 56.13 2qkp s GLN 319 Cb -0.26 -3.20 -0.03 0.00 -0.22 0.00 0.00 33.01 29.30 2qkp s GLN 319 CO 0.31 -0.44 -0.15 -0.65 -0.25 0.00 0.00 175.29 174.11 2qkp s GLN 320 N 0.74 0.92 0.20 2.91 -0.21 -0.20 -4.92 119.66 119.10 2qkp s GLN 320 Ca 0.64 -1.07 -0.32 0.00 0.02 0.00 0.00 55.36 54.63 2qkp s GLN 320 Cb -0.39 -0.94 -0.12 0.00 1.00 0.00 0.00 33.01 32.56 2qkp s GLN 320 CO 0.33 0.20 1.70 -2.30 -2.12 0.00 0.00 175.29 173.10 2qkp n PRO 321 N 1.04 2.68 -3.74 2.91 -0.02 -1.26 -1.26 135.00 135.35 2qkp n PRO 321 Ca -0.19 0.97 -0.14 0.00 -2.02 0.00 0.00 63.50 62.12 2qkp n PRO 321 Cb 0.55 -2.80 -0.14 0.00 -0.02 0.00 0.00 33.50 31.08 2qkp n PRO 321 CO 0.00 0.00 0.00 -0.06 1.98 0.00 0.00 175.50 177.42 2qkp s PHE 322 N 1.11 -0.20 0.00 6.00 0.08 -0.81 -4.83 117.98 119.32 2qkp s PHE 322 Ca 0.75 0.55 0.00 0.00 0.12 0.00 0.00 56.93 58.36 2qkp s PHE 322 Cb -0.53 -0.07 0.00 0.00 -0.57 0.00 0.00 43.02 41.85 2qkp s PHE 322 CO 0.33 -0.19 0.00 0.41 -0.10 0.00 0.00 175.22 175.68 2qkp n GLY 323 N 4.28 3.44 1.86 4.36 0.00 -1.26 -1.38 105.19 116.48 2qkp n GLY 323 Ca -0.25 0.03 -0.04 0.00 0.00 0.00 0.00 46.02 45.76 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 4.82 4.70 0.00 1.61 3.02 -1.26 -4.95 115.26 123.20 2qkp n ASN 324 Ca 0.00 -3.22 0.00 0.00 -0.03 0.00 0.00 54.58 51.33 2qkp n ASN 324 Cb 0.00 -0.72 0.00 0.00 -0.61 0.00 0.00 39.78 38.45 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 -0.19 2.58 2.91 7.41 0.00 -0.48 -5.18 105.19 112.25 2qkp n GLY 325 Ca 0.38 0.13 -0.11 0.00 0.00 0.00 0.00 46.02 46.42 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 1.35 0.10 0.03 1.61 1.51 -1.25 -1.93 117.35 118.76 2qkp s TYR 326 Ca 0.00 -0.20 -0.03 0.00 -1.01 0.00 0.00 57.07 55.83 2qkp s TYR 326 Cb 0.00 -0.07 -0.02 0.00 -0.11 0.00 0.00 41.96 41.76 2qkp s TYR 326 CO 0.00 -0.07 0.04 -0.51 -1.11 0.00 0.00 175.55 173.90 2qkp s LEU 327 N -0.56 1.99 0.63 -1.29 1.43 -0.39 -4.84 118.68 115.65 2qkp s LEU 327 Ca -0.06 -0.52 -0.09 0.00 -1.03 0.00 0.00 54.13 52.43 2qkp s LEU 327 Cb -0.04 0.39 -0.00 0.00 0.03 0.00 0.00 46.19 46.57 2qkp s LEU 327 CO -0.00 -0.43 0.99 -0.94 0.23 0.00 0.00 176.35 176.20 2qkp s SER 328 N -1.87 5.72 0.24 2.29 1.04 -1.26 -1.04 113.70 118.82 2qkp s SER 328 Ca -0.09 1.03 -0.06 0.00 0.48 0.00 0.00 55.95 57.31 2qkp s SER 328 Cb -0.04 -1.99 0.32 0.00 0.10 0.00 0.00 66.02 64.41 2qkp s SER 328 CO -0.03 -1.09 1.86 0.58 0.98 0.00 0.00 173.24 175.54 2qkp h VAL 329 N -0.35 1.07 -0.24 5.02 2.07 -1.68 0.78 116.25 122.92 2qkp h VAL 329 Ca -0.45 -0.35 0.04 0.00 0.82 0.00 0.00 66.70 66.76 2qkp h VAL 329 Cb 1.24 -0.03 -0.04 0.00 -1.52 0.00 0.00 31.29 30.94 2qkp h VAL 329 CO 0.62 0.18 -0.00 -0.08 0.02 0.00 0.00 177.57 178.32 2qkp h GLU 330 N 1.01 0.07 -0.45 1.57 4.81 -1.25 0.23 114.58 120.58 2qkp h GLU 330 Ca 0.37 -0.00 -0.08 0.00 -0.13 0.00 0.00 59.36 59.52 2qkp h GLU 330 Cb 0.13 -0.02 -0.02 0.00 0.63 0.00 0.00 28.75 29.48 2qkp h GLU 330 CO -0.16 0.05 -0.03 1.96 -0.73 0.00 0.00 179.01 180.10 2qkp h GLN 331 N 0.07 0.80 -0.78 1.92 4.20 -1.68 -1.34 115.11 118.31 2qkp h GLN 331 Ca 0.11 -0.27 0.01 0.00 0.06 0.00 0.00 58.65 58.57 2qkp h GLN 331 Cb 0.15 -0.07 -0.04 0.00 0.30 0.00 0.00 27.48 27.82 2qkp h GLN 331 CO -0.19 0.88 0.51 0.00 -0.67 0.00 0.00 178.83 179.36 2qkp h ALA 332 N 0.90 0.99 -0.20 3.87 0.00 -0.57 0.07 119.26 124.31 2qkp h ALA 332 Ca 0.12 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 54.98 2qkp h ALA 332 Cb 0.54 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 2qkp h ALA 332 CO 0.03 0.38 0.12 -0.97 0.00 0.00 0.00 179.25 178.81 2qkp h ASN 333 N 1.04 0.24 -0.56 0.00 -1.24 -0.85 -1.26 115.58 112.96 2qkp h ASN 333 Ca 0.29 -0.06 0.07 0.00 0.71 0.00 0.00 56.30 57.31 2qkp h ASN 333 Cb -0.10 -0.06 -0.06 0.00 0.73 0.00 0.00 38.32 38.83 2qkp h ASN 333 CO -0.07 0.23 0.23 -0.07 -1.29 0.00 0.00 177.43 176.46 2qkp h LEU 334 N 0.23 0.26 -0.03 0.34 3.38 -0.80 -1.13 115.31 117.57 2qkp h LEU 334 Ca 0.07 0.06 -0.00 0.00 0.09 0.00 0.00 57.88 58.10 2qkp h LEU 334 Cb 0.04 0.03 -0.00 0.00 0.09 0.00 0.00 40.66 40.81 2qkp h LEU 334 CO -0.01 0.17 0.01 0.40 0.09 0.00 0.00 178.44 179.10 2qkp h ILE 335 N 0.42 1.06 -0.59 1.22 2.04 -0.74 -0.79 117.51 120.13 2qkp h ILE 335 Ca 0.27 -0.17 0.00 0.00 1.00 0.00 0.00 64.86 65.96 2qkp h ILE 335 Cb 0.28 1.13 -0.03 0.00 -0.74 0.00 0.00 36.82 37.46 2qkp h ILE 335 CO -0.25 0.05 0.38 -0.07 0.00 0.00 0.00 178.15 178.26 2qkp h LEU 336 N -0.03 0.68 0.00 1.44 3.38 -0.96 -1.20 115.31 118.63 2qkp h LEU 336 Ca 0.01 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.96 2qkp h LEU 336 Cb 0.07 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 40.64 2qkp h LEU 336 CO -0.00 0.50 0.00 0.59 0.09 0.00 0.00 178.44 179.62 2qkp n ASN 337 N -4.44 0.00 -0.11 -0.43 3.02 -0.45 -3.53 115.26 109.32 2qkp n ASN 337 Ca 0.06 0.42 0.09 0.00 -0.03 0.00 0.00 54.58 55.12 2qkp n ASN 337 Cb 0.05 -0.47 -0.08 0.00 -0.61 0.00 0.00 39.78 38.66 2qkp n ASN 337 CO 0.00 0.00 0.00 1.41 -2.62 0.00 0.00 177.26 176.05 2qkp n HIS 338 N -1.47 0.00 -2.43 3.10 8.25 -0.34 -3.91 115.22 118.41 2qkp n HIS 338 Ca 0.08 0.00 -0.40 0.00 -0.26 0.00 0.00 57.72 57.13 2qkp n HIS 338 Cb 0.31 0.00 -0.04 0.00 1.12 0.00 0.00 29.99 31.38 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 -2.76 4.52 -0.86 2.41 1.43 -0.95 -4.91 118.68 117.55 2qkp s LEU 339 Ca 0.10 2.31 -0.07 0.00 -1.03 0.00 0.00 54.13 55.43 2qkp s LEU 339 Cb 0.15 -3.66 -0.13 0.00 0.03 0.00 0.00 46.19 42.58 2qkp s LEU 339 CO 0.72 -0.21 3.16 -0.81 0.23 0.00 0.00 176.35 179.44 2qkp n PRO 340 N 1.07 3.01 -3.87 1.29 -0.04 -1.26 -4.77 135.00 130.43 2qkp n PRO 340 Ca -0.01 -1.86 -0.11 0.00 -0.04 0.00 0.00 63.50 61.48 2qkp n PRO 340 Cb 0.45 -2.41 -0.12 0.00 -0.04 0.00 0.00 33.50 31.37 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 -0.31 1.74 -0.24 1.53 1.43 -1.26 -4.64 118.68 116.92 2qkp s LEU 341 Ca 0.66 -0.01 -0.24 0.00 -1.03 0.00 0.00 54.13 53.51 2qkp s LEU 341 Cb 0.25 0.35 -0.01 0.00 0.03 0.00 0.00 46.19 46.81 2qkp s LEU 341 CO -0.05 -0.15 0.81 -1.61 0.23 0.00 0.00 176.35 175.58 2qkp s GLU 342 N -0.50 4.18 -0.09 1.70 2.02 -0.40 -4.67 118.70 120.94 2qkp s GLU 342 Ca -0.06 0.90 0.03 0.00 0.02 0.00 0.00 54.97 55.87 2qkp s GLU 342 Cb -0.04 -3.64 -0.01 0.00 0.10 0.00 0.00 34.13 30.54 2qkp s GLU 342 CO 0.00 -0.50 -0.20 0.42 0.02 0.00 0.00 175.26 175.00 2qkp s ILE 343 N 2.79 2.46 0.00 -1.63 1.01 -1.26 -0.64 121.20 123.93 2qkp s ILE 343 Ca 0.34 -0.90 0.03 0.00 0.00 0.00 0.00 60.65 60.12 2qkp s ILE 343 Cb -0.15 -1.96 -0.01 0.00 0.01 0.00 0.00 42.46 40.35 2qkp s ILE 343 CO 0.07 0.56 -0.10 -0.89 0.00 0.00 0.00 174.94 174.58 2qkp s THR 344 N 0.05 0.79 -0.05 2.92 2.01 -0.03 -1.82 115.64 119.52 2qkp s THR 344 Ca -0.08 -0.54 0.03 0.00 0.31 0.00 0.00 61.69 61.41 2qkp s THR 344 Cb -0.15 -0.69 0.00 0.00 0.01 0.00 0.00 72.50 71.67 2qkp s THR 344 CO 0.05 0.14 -0.15 0.12 -0.69 0.00 0.00 174.62 174.10 2qkp s PHE 345 N -0.39 1.55 -0.09 4.92 5.36 -0.26 -1.11 117.98 127.95 2qkp s PHE 345 Ca 0.02 -0.48 0.03 0.00 -0.96 0.00 0.00 56.93 55.55 2qkp s PHE 345 Cb -0.05 -1.08 0.00 0.00 -0.34 0.00 0.00 43.02 41.56 2qkp s PHE 345 CO -0.00 -0.20 -0.21 0.08 -1.46 0.00 0.00 175.22 173.44 2qkp s VAL 346 N 0.25 1.82 0.90 3.12 1.01 -0.55 -1.66 120.40 125.28 2qkp s VAL 346 Ca -0.07 -0.88 -0.11 0.00 0.00 0.00 0.00 61.98 60.92 2qkp s VAL 346 Cb -0.12 -1.59 0.20 0.00 0.00 0.00 0.00 36.38 34.86 2qkp s VAL 346 CO 0.03 0.51 1.22 -0.46 0.00 0.00 0.00 175.10 176.39 2qkp n ASN 347 N 3.62 0.50 0.00 3.32 0.23 -0.23 -0.48 115.26 122.22 2qkp n ASN 347 Ca -0.20 -1.69 0.07 0.00 -0.53 0.00 0.00 54.58 52.23 2qkp n ASN 347 Cb 0.53 -0.90 0.31 0.00 -2.08 0.00 0.00 39.78 37.64 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 -3.50 0.02 -0.84 -3.83 2.85 -1.04 -1.34 118.16 110.49 2qkp n LYS 348 Ca 0.17 0.24 0.07 0.00 -1.05 0.00 0.00 58.31 57.74 2qkp n LYS 348 Cb 0.58 -1.50 0.39 0.00 -0.65 0.00 0.00 35.03 33.85 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 -1.48 5.51 -2.17 -5.58 8.00 -1.26 -4.95 116.55 114.63 2qkp n ASP 349 Ca 0.04 -2.83 -0.21 0.00 0.71 0.00 0.00 54.79 52.50 2qkp n ASP 349 Cb 0.16 -0.67 -0.03 0.00 -0.02 0.00 0.00 41.12 40.56 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 0.72 -5.82 -4.73 -2.24 8.00 -0.45 -4.96 116.55 107.07 2qkp n ASP 350 Ca 0.27 0.14 -0.37 0.00 0.71 0.00 0.00 54.79 55.54 2qkp n ASP 350 Cb 1.13 -4.93 -0.06 0.00 -0.02 0.00 0.00 41.12 37.24 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 -2.97 5.23 -0.58 0.53 -1.09 -1.26 -0.69 121.20 120.39 2qkp s ILE 351 Ca 0.00 0.77 -0.28 0.00 -2.23 0.00 0.00 60.65 58.91 2qkp s ILE 351 Cb 0.00 -3.73 0.02 0.00 -1.58 0.00 0.00 42.46 37.17 2qkp s ILE 351 CO 0.00 0.37 1.38 0.12 -1.23 0.00 0.00 174.94 175.58 2qkp s PHE 352 N 0.47 2.32 -0.11 3.97 5.99 -0.14 -1.07 117.98 129.40 2qkp s PHE 352 Ca 0.22 0.43 0.09 0.00 0.00 0.00 0.00 56.93 57.66 2qkp s PHE 352 Cb -0.14 -4.42 -0.24 0.00 0.00 0.00 0.00 43.02 38.22 2qkp s PHE 352 CO 0.08 -1.94 0.40 1.04 -0.00 0.00 0.00 175.22 174.80 2qkp n GLN 353 N 8.69 0.67 -3.65 10.12 6.02 -0.67 0.21 117.38 138.78 2qkp n GLN 353 Ca 0.11 0.21 -0.14 0.00 -0.01 0.00 0.00 57.00 57.17 2qkp n GLN 353 Cb 0.49 -1.70 -0.08 0.00 1.02 0.00 0.00 30.24 29.98 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 -2.56 -0.66 0.02 1.08 5.04 -1.18 -4.65 117.35 114.44 2qkp s TYR 354 Ca -0.12 1.54 -0.01 0.00 -2.44 0.00 0.00 57.07 56.04 2qkp s TYR 354 Cb 0.07 0.25 -0.02 0.00 0.35 0.00 0.00 41.96 42.61 2qkp s TYR 354 CO 0.79 -0.37 -0.01 1.52 -1.34 0.00 0.00 175.55 176.15 2qkp s TYR 355 N 0.06 0.27 0.68 4.97 -0.85 -1.26 -1.11 117.35 120.12 2qkp s TYR 355 Ca -0.02 -0.57 -0.11 0.00 -0.52 0.00 0.00 57.07 55.85 2qkp s TYR 355 Cb -0.04 -0.20 0.15 0.00 0.38 0.00 0.00 41.96 42.25 2qkp s TYR 355 CO 0.02 -0.24 0.93 0.27 -1.52 0.00 0.00 175.55 175.01 2qkp n ASN 356 N 1.33 0.16 -2.23 -0.18 6.94 -0.76 -5.01 115.26 115.52 2qkp n ASN 356 Ca -0.22 -1.39 -0.18 0.00 -0.02 0.00 0.00 54.58 52.76 2qkp n ASN 356 Cb 0.56 -0.70 0.03 0.00 -2.36 0.00 0.00 39.78 37.31 2qkp n ASN 356 CO 0.00 0.00 0.00 -0.67 -1.03 0.00 0.00 177.26 175.56 2qkp n ASP 357 N -3.54 4.12 0.00 0.53 2.03 -1.26 -4.83 116.55 113.60 2qkp n ASP 357 Ca 0.12 -3.34 -0.12 0.00 0.52 0.00 0.00 54.79 51.97 2qkp n ASP 357 Cb 0.41 -0.38 -0.14 0.00 -0.72 0.00 0.00 41.12 40.30 2qkp n ASP 357 CO 0.00 0.00 0.00 -1.28 -1.92 0.00 0.00 177.20 174.00 2qkp h SER 358 N 2.30 0.14 -3.82 1.67 0.87 -1.83 -3.46 113.55 109.42 2qkp h SER 358 Ca 0.25 -0.26 -0.68 0.00 -1.23 0.00 0.00 61.79 59.86 2qkp h SER 358 Cb 1.46 -0.04 -0.23 0.00 -0.44 0.00 0.00 62.40 63.14 2qkp h SER 358 CO 0.63 1.23 -0.75 0.54 -0.53 0.00 0.00 176.83 177.94 2qkp s VAL 359 N -2.60 3.21 0.51 2.23 0.11 -1.26 -5.01 120.40 117.59 2qkp s VAL 359 Ca -0.08 -0.65 -0.22 0.00 -2.93 0.00 0.00 61.98 58.10 2qkp s VAL 359 Cb 0.08 -2.29 -0.07 0.00 -1.53 0.00 0.00 36.38 32.57 2qkp s VAL 359 CO 0.82 0.58 1.11 -2.65 -3.33 0.00 0.00 175.10 171.63 2qkp n PRO 360 N 2.54 1.36 -0.19 1.54 -0.02 -1.26 -4.76 135.00 134.20 2qkp n PRO 360 Ca -0.17 0.50 0.16 0.00 -2.02 0.00 0.00 63.50 61.96 2qkp n PRO 360 Cb 0.52 -2.26 0.49 0.00 -0.02 0.00 0.00 33.50 32.23 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 1.23 2.09 0.00 3.55 0.00 -1.99 -0.43 119.26 123.71 2qkp h ALA 361 Ca -0.48 0.00 -0.10 0.00 0.00 0.00 0.00 54.91 54.34 2qkp h ALA 361 Cb 1.33 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 19.04 2qkp h ALA 361 CO 0.55 -0.31 -0.47 0.00 0.00 0.00 0.00 179.25 179.02 2qkp h ALA 362 N 1.63 0.99 -0.01 0.00 0.00 -2.03 -3.08 119.26 116.76 2qkp h ALA 362 Ca 0.40 -0.43 0.00 0.00 0.00 0.00 0.00 54.91 54.88 2qkp h ALA 362 Cb 0.88 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.60 2qkp h ALA 362 CO -0.14 0.59 -0.29 0.39 0.00 0.00 0.00 179.25 179.80 2qkp n GLU 363 N -3.64 1.22 -2.05 0.00 1.02 -0.21 -4.94 120.64 112.05 2qkp n GLU 363 Ca -0.01 -0.89 -0.41 0.00 -0.02 0.00 0.00 57.16 55.83 2qkp n GLU 363 Cb 0.55 -1.48 -0.03 0.00 -0.02 0.00 0.00 31.44 30.47 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 -2.39 4.29 -0.00 3.49 -1.94 -0.97 -4.94 119.30 116.84 2qkp s MET 364 Ca 0.24 2.25 -0.23 0.00 -1.71 0.00 0.00 55.69 56.24 2qkp s MET 364 Cb 0.19 -3.14 -0.18 0.00 2.01 0.00 0.00 34.83 33.71 2qkp s MET 364 CO 0.50 -0.41 1.24 0.28 -0.01 0.00 0.00 175.02 176.62 2qkp h VAL 365 N 3.66 1.41 -3.57 -6.03 2.07 -1.92 -3.40 116.25 108.47 2qkp h VAL 365 Ca -0.45 -1.43 -0.67 0.00 0.82 0.00 0.00 66.70 64.96 2qkp h VAL 365 Cb 1.22 2.18 -0.27 0.00 -1.52 0.00 0.00 31.29 32.90 2qkp h VAL 365 CO 0.79 0.40 -0.65 -0.36 0.02 0.00 0.00 177.57 177.77 2qkp s PHE 366 N -3.98 3.11 0.00 1.57 0.08 -1.26 -5.08 117.98 112.43 2qkp s PHE 366 Ca -0.15 -1.02 -0.30 0.00 0.12 0.00 0.00 56.93 55.58 2qkp s PHE 366 Cb 0.03 -2.21 -0.06 0.00 -0.57 0.00 0.00 43.02 40.21 2qkp s PHE 366 CO 0.73 -0.58 1.48 0.15 -0.10 0.00 0.00 175.22 176.90 2qkp s LYS 367 N 1.48 4.25 -0.09 0.44 -0.14 -1.26 -5.01 119.74 119.41 2qkp s LYS 367 Ca 0.03 2.06 -0.02 0.00 -1.36 0.00 0.00 55.97 56.68 2qkp s LYS 367 Cb -0.17 -3.63 -0.03 0.00 -1.68 0.00 0.00 37.83 32.32 2qkp s LYS 367 CO 0.01 -0.65 0.00 1.03 -0.76 0.00 0.00 175.35 174.98 2qkp s ARG 368 N 2.68 3.05 -0.08 1.68 1.81 -1.26 -5.11 118.95 121.71 2qkp s ARG 368 Ca 0.67 -0.41 0.04 0.00 -1.72 0.00 0.00 55.73 54.31 2qkp s ARG 368 Cb -0.33 -2.81 -0.01 0.00 -0.45 0.00 0.00 34.95 31.34 2qkp s ARG 368 CO 0.28 0.67 -0.20 0.95 -0.68 0.00 0.00 175.30 176.31 2qkp s THR 369 N -0.79 2.44 0.42 0.02 -4.23 -1.26 -5.01 115.64 107.23 2qkp s THR 369 Ca 0.12 -0.91 0.22 0.00 -1.18 0.00 0.00 61.69 59.95 2qkp s THR 369 Cb -0.11 -1.94 0.42 0.00 1.34 0.00 0.00 72.50 72.21 2qkp s THR 369 CO 0.02 0.56 1.73 -0.65 -0.54 0.00 0.00 174.62 175.75 2qkp h PRO 370 N 6.24 0.28 -0.78 3.99 0.11 -1.99 0.23 132.00 140.08 2qkp h PRO 370 Ca -0.30 -0.02 0.21 0.00 0.11 0.00 0.00 66.00 66.01 2qkp h PRO 370 Cb 1.19 -0.06 -0.04 0.00 0.11 0.00 0.00 31.00 32.20 2qkp h PRO 370 CO 0.50 0.18 0.55 0.77 -0.21 0.00 0.00 178.00 179.79 2qkp h SER 371 N 0.29 0.09 1.58 -2.05 0.02 -2.04 -1.74 113.55 109.70 2qkp h SER 371 Ca 0.65 0.01 -0.02 0.00 -0.84 0.00 0.00 61.79 61.59 2qkp h SER 371 Cb 1.83 -0.01 -0.00 0.00 0.14 0.00 0.00 62.40 64.36 2qkp h SER 371 CO -0.32 0.04 -0.11 1.56 -1.14 0.00 0.00 176.83 176.86 2qkp h GLN 372 N 0.09 0.00 -6.51 3.45 4.20 -0.94 -3.45 115.11 111.96 2qkp h GLN 372 Ca 0.38 0.00 -0.53 0.00 0.06 0.00 0.00 58.65 58.56 2qkp h GLN 372 Cb 1.37 0.00 0.03 0.00 0.30 0.00 0.00 27.48 29.18 2qkp h GLN 372 CO -0.04 0.11 0.93 0.08 -0.67 0.00 0.00 178.83 179.24 2qkp s VAL 373 N -3.32 2.94 0.00 -0.54 1.01 -0.66 -1.59 120.40 118.24 2qkp s VAL 373 Ca 0.04 0.53 0.00 0.00 0.00 0.00 0.00 61.98 62.55 2qkp s VAL 373 Cb 0.07 -3.34 0.00 0.00 0.00 0.00 0.00 36.38 33.11 2qkp s VAL 373 CO 0.65 0.02 0.00 0.61 0.00 0.00 0.00 175.10 176.38 2qkp n GLY 374 N 3.86 0.80 3.94 4.51 0.00 0.13 -5.02 105.19 113.40 2qkp n GLY 374 Ca 0.15 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.90 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 -0.43 3.46 0.38 1.61 0.52 -0.62 -4.82 118.95 119.06 2qkp s ARG 375 Ca 0.00 -0.51 -0.27 0.00 -0.52 0.00 0.00 55.73 54.43 2qkp s ARG 375 Cb 0.00 -2.94 -0.10 0.00 0.52 0.00 0.00 34.95 32.43 2qkp s ARG 375 CO 0.00 0.50 1.37 1.21 0.02 0.00 0.00 175.30 178.41 2qkp s ASN 376 N -3.11 6.40 0.53 0.23 3.84 -1.26 -0.97 114.94 120.59 2qkp s ASN 376 Ca 0.36 2.81 0.22 0.00 0.21 0.00 0.00 52.86 56.46 2qkp s ASN 376 Cb -0.11 -2.65 1.35 0.00 -0.55 0.00 0.00 41.25 39.29 2qkp s ASN 376 CO 0.28 -0.81 2.06 0.58 -2.79 0.00 0.00 177.10 176.43 2qkp h VAL 377 N 2.76 0.83 -0.78 -5.21 2.07 -1.26 -1.70 116.25 112.96 2qkp h VAL 377 Ca -0.50 0.00 0.21 0.00 0.82 0.00 0.00 66.70 67.23 2qkp h VAL 377 Cb 1.24 0.84 -0.04 0.00 -1.52 0.00 0.00 31.29 31.82 2qkp h VAL 377 CO 0.64 0.00 0.55 -0.33 0.02 0.00 0.00 177.57 178.45 2qkp h GLU 378 N 0.00 0.11 -0.02 1.57 5.08 -1.91 -0.87 114.58 118.54 2qkp h GLU 378 Ca 0.15 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.50 2qkp h GLU 378 Cb 0.59 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.82 2qkp h GLU 378 CO -0.00 0.08 -0.11 1.28 -1.00 0.00 0.00 179.01 179.26 2qkp n LEU 379 N -4.37 2.20 -0.44 1.33 4.77 -0.64 -4.29 117.00 115.56 2qkp n LEU 379 Ca 0.16 -0.74 0.08 0.00 -0.03 0.00 0.00 56.01 55.49 2qkp n LEU 379 Cb 0.77 -0.01 0.01 0.00 -2.33 0.00 0.00 43.42 41.86 2qkp n LEU 379 CO 0.36 0.37 0.31 0.00 -1.33 0.00 0.00 177.39 177.11 2qkp s HIS 381 N -1.89 0.17 0.74 0.00 3.76 -1.24 -5.11 115.29 111.72 2qkp s HIS 381 Ca 0.15 -0.36 -0.13 0.00 -0.15 0.00 0.00 55.06 54.57 2qkp s HIS 381 Cb 0.14 -0.13 0.04 0.00 1.11 0.00 0.00 32.58 33.74 2qkp s HIS 381 CO 0.39 -0.18 1.13 -1.25 -0.85 0.00 0.00 174.74 173.98 2qkp s PRO 382 N -1.22 2.29 0.14 8.40 0.04 -1.26 -4.70 135.00 138.69 2qkp s PRO 382 Ca -0.13 1.42 -0.31 0.00 0.04 0.00 0.00 61.00 62.02 2qkp s PRO 382 Cb -0.08 -1.88 -0.08 0.00 0.04 0.00 0.00 34.50 32.49 2qkp s PRO 382 CO -0.00 -1.65 1.52 -1.35 0.04 0.00 0.00 177.00 175.56 2qkp h PRO 383 N -0.61 -0.15 0.00 0.56 0.11 -1.97 0.25 132.00 130.19 2qkp h PRO 383 Ca -0.45 0.01 -0.01 0.00 0.11 0.00 0.00 66.00 65.65 2qkp h PRO 383 Cb 1.25 0.03 -0.00 0.00 0.11 0.00 0.00 31.00 32.40 2qkp h PRO 383 CO 0.51 -0.10 -0.06 1.57 -0.21 0.00 0.00 178.00 179.71 2qkp h LYS 384 N -0.15 0.00 0.05 1.05 5.09 -1.99 0.50 116.57 121.12 2qkp h LYS 384 Ca 0.12 0.00 -0.13 0.00 0.09 0.00 0.00 60.65 60.73 2qkp h LYS 384 Cb 0.47 0.00 0.01 0.00 0.10 0.00 0.00 32.23 32.81 2qkp h LYS 384 CO -0.77 0.06 -0.52 0.28 -2.09 0.00 0.00 179.45 176.40 2qkp h VAL 385 N 0.00 1.53 -0.70 0.07 2.07 -1.71 -3.24 116.25 114.26 2qkp h VAL 385 Ca -0.00 -2.23 -0.05 0.00 0.82 0.00 0.00 66.70 65.24 2qkp h VAL 385 Cb 0.40 2.93 -0.03 0.00 -1.52 0.00 0.00 31.29 33.07 2qkp h VAL 385 CO 0.01 0.63 0.25 0.25 0.02 0.00 0.00 177.57 178.72 2qkp h LEU 386 N -0.39 0.98 -0.37 2.57 5.85 0.22 -1.47 115.31 122.71 2qkp h LEU 386 Ca -0.08 -0.16 0.08 0.00 0.84 0.00 0.00 57.88 58.56 2qkp h LEU 386 Cb 1.32 -0.26 -0.09 0.00 0.37 0.00 0.00 40.66 42.00 2qkp h LEU 386 CO 0.10 0.90 -0.26 -0.78 -0.34 0.00 0.00 178.44 178.06 2qkp h ASP 387 N 1.03 -0.85 -0.25 1.25 1.82 -0.15 0.15 116.42 119.43 2qkp h ASP 387 Ca 0.23 0.17 -0.01 0.00 -0.39 0.00 0.00 57.03 57.03 2qkp h ASP 387 Cb 0.24 0.42 -0.01 0.00 0.68 0.00 0.00 39.33 40.66 2qkp h ASP 387 CO -0.01 -0.28 0.10 0.11 -1.61 0.00 0.00 179.24 177.55 2qkp h LYS 388 N -0.20 0.37 -0.42 0.28 1.79 -1.48 -2.87 116.57 114.03 2qkp h LYS 388 Ca 0.18 -0.06 0.03 0.00 -2.18 0.00 0.00 60.65 58.62 2qkp h LYS 388 Cb 0.48 -0.06 -0.04 0.00 -1.58 0.00 0.00 32.23 31.04 2qkp h LYS 388 CO -0.49 0.40 0.21 0.28 -1.08 0.00 0.00 179.45 178.77 2qkp h VAL 389 N 0.25 0.97 -0.57 0.50 2.07 -0.85 -1.89 116.25 116.74 2qkp h VAL 389 Ca 0.08 -0.15 0.11 0.00 0.82 0.00 0.00 66.70 67.57 2qkp h VAL 389 Cb 0.16 0.51 -0.11 0.00 -1.52 0.00 0.00 31.29 30.33 2qkp h VAL 389 CO -0.01 0.08 -0.18 0.11 0.02 0.00 0.00 177.57 177.59 2qkp h LYS 390 N 0.43 -0.04 -0.20 1.57 1.57 -0.64 0.54 116.57 119.79 2qkp h LYS 390 Ca 0.18 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.95 2qkp h LYS 390 Cb 0.08 0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.40 2qkp h LYS 390 CO -0.13 -0.03 0.06 0.87 -0.57 0.00 0.00 179.45 179.66 2qkp h LYS 391 N -0.04 0.32 0.14 3.15 1.57 -1.14 -1.32 116.57 119.25 2qkp h LYS 391 Ca 0.27 -0.07 0.01 0.00 -1.87 0.00 0.00 60.65 58.99 2qkp h LYS 391 Cb 0.46 -0.05 -0.03 0.00 0.08 0.00 0.00 32.23 32.70 2qkp h LYS 391 CO -0.61 0.43 -0.23 0.28 -0.57 0.00 0.00 179.45 178.74 2qkp h VAL 392 N 0.16 0.48 -0.96 0.50 2.07 -1.17 -2.59 116.25 114.74 2qkp h VAL 392 Ca 0.07 0.00 0.06 0.00 0.82 0.00 0.00 66.70 67.64 2qkp h VAL 392 Cb 0.24 0.48 -0.06 0.00 -1.52 0.00 0.00 31.29 30.43 2qkp h VAL 392 CO -0.00 0.00 0.62 -0.26 0.02 0.00 0.00 177.57 177.95 2qkp h PHE 393 N -0.45 1.14 -0.30 1.57 -1.00 -0.76 -1.83 116.94 115.32 2qkp h PHE 393 Ca 0.02 0.03 -0.00 0.00 2.81 0.00 0.00 57.97 60.83 2qkp h PHE 393 Cb 0.46 -0.38 -0.01 0.00 3.61 0.00 0.00 35.95 39.63 2qkp h PHE 393 CO -0.20 0.61 0.17 1.49 -1.61 0.00 0.00 178.31 178.76 2qkp h GLU 394 N 1.13 0.41 -0.93 1.51 4.81 -1.11 0.16 114.58 120.57 2qkp h GLU 394 Ca 0.41 -0.04 0.01 0.00 -0.13 0.00 0.00 59.36 59.60 2qkp h GLU 394 Cb 0.14 -0.08 -0.05 0.00 0.63 0.00 0.00 28.75 29.40 2qkp h GLU 394 CO -0.15 0.34 0.60 -0.07 -0.73 0.00 0.00 179.01 179.00 2qkp h LEU 395 N 0.37 1.08 -0.07 1.64 3.38 -1.00 0.12 115.31 120.82 2qkp h LEU 395 Ca 0.11 -0.04 -0.02 0.00 0.09 0.00 0.00 57.88 58.02 2qkp h LEU 395 Cb 0.05 -0.27 -0.00 0.00 0.09 0.00 0.00 40.66 40.52 2qkp h LEU 395 CO -0.02 0.79 -0.02 -0.07 0.09 0.00 0.00 178.44 179.22 2qkp h LEU 396 N 1.26 0.14 -0.99 1.67 3.38 -1.10 -1.85 115.31 117.82 2qkp h LEU 396 Ca 0.34 -0.37 0.03 0.00 0.09 0.00 0.00 57.88 57.97 2qkp h LEU 396 Cb -0.12 -0.04 -0.06 0.00 0.09 0.00 0.00 40.66 40.54 2qkp h LEU 396 CO -0.07 0.47 0.65 -0.09 0.09 0.00 0.00 178.44 179.49 2qkp h ARG 397 N -0.20 1.24 0.00 1.13 2.43 -0.41 -2.88 114.38 115.69 2qkp h ARG 397 Ca 0.02 -0.07 0.00 0.00 -0.81 0.00 0.00 59.98 59.11 2qkp h ARG 397 Cb 0.41 -0.28 0.00 0.00 -0.42 0.00 0.00 29.97 29.68 2qkp h ARG 397 CO 0.01 0.82 0.00 0.09 -1.51 0.00 0.00 179.97 179.37 2qkp n ASN 398 N -4.44 0.76 0.00 -3.80 3.02 0.00 -4.90 115.26 105.90 2qkp n ASN 398 Ca 0.13 0.59 0.00 0.00 -0.03 0.00 0.00 54.58 55.27 2qkp n ASN 398 Cb 0.07 -0.79 0.00 0.00 -0.61 0.00 0.00 39.78 38.45 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 1.02 0.72 0.12 7.41 0.00 -1.09 -4.95 105.19 108.43 2qkp n GLY 399 Ca 0.05 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.03 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 2.58 0.04 -4.90 1.61 4.20 -1.61 -3.45 115.11 113.58 2qkp h GLN 400 Ca 0.00 -0.04 -0.36 0.00 0.06 0.00 0.00 58.65 58.31 2qkp h GLN 400 Cb 0.00 0.01 -0.23 0.00 0.30 0.00 0.00 27.48 27.56 2qkp h GLN 400 CO 0.00 0.77 -0.76 1.03 -0.67 0.00 0.00 178.83 179.20 2qkp s ARG 401 N -3.32 0.69 -0.13 1.46 1.81 -0.94 -5.03 118.95 113.48 2qkp s ARG 401 Ca -0.01 -0.71 0.10 0.00 -1.72 0.00 0.00 55.73 53.39 2qkp s ARG 401 Cb 0.12 -0.60 -0.23 0.00 -0.45 0.00 0.00 34.95 33.78 2qkp s ARG 401 CO 0.79 0.14 0.31 -0.25 -0.68 0.00 0.00 175.30 175.61 2qkp n ASP 402 N 1.78 0.92 -3.81 0.23 8.00 -1.26 -4.22 116.55 118.18 2qkp n ASP 402 Ca -0.20 0.18 -0.12 0.00 0.71 0.00 0.00 54.79 55.36 2qkp n ASP 402 Cb 0.55 0.12 -0.10 0.00 -0.02 0.00 0.00 41.12 41.67 2qkp n ASP 402 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 2qkp s LYS 403 N -2.55 0.52 -0.07 -1.24 1.02 -1.26 -0.61 119.74 115.55 2qkp s LYS 403 Ca -0.13 -0.17 0.03 0.00 0.02 0.00 0.00 55.97 55.72 2qkp s LYS 403 Cb 0.07 0.23 0.00 0.00 -0.52 0.00 0.00 37.83 37.61 2qkp s LYS 403 CO 0.79 -0.12 -0.17 0.08 -0.92 0.00 0.00 175.35 175.01 2qkp s VAL 404 N -1.06 1.48 0.08 3.17 1.01 0.25 -4.98 120.40 120.36 2qkp s VAL 404 Ca -0.11 -0.70 0.09 0.00 0.00 0.00 0.00 61.98 61.26 2qkp s VAL 404 Cb -0.06 -1.30 -0.04 0.00 0.00 0.00 0.00 36.38 34.99 2qkp s VAL 404 CO 0.02 0.43 -0.21 0.20 0.00 0.00 0.00 175.10 175.54 2qkp s ASN 405 N 0.38 3.61 0.05 3.32 -0.87 -1.26 -0.68 114.94 119.49 2qkp s ASN 405 Ca -0.12 -0.56 -0.05 0.00 -1.57 0.00 0.00 52.86 50.55 2qkp s ASN 405 Cb -0.15 -0.45 -0.02 0.00 -0.02 0.00 0.00 41.25 40.61 2qkp s ASN 405 CO 0.05 0.22 0.08 0.00 -2.57 0.00 0.00 177.10 174.87 2qkp s MET 406 N -1.75 0.62 -0.01 -0.60 0.23 -0.36 -5.00 119.30 112.43 2qkp s MET 406 Ca 0.15 -0.88 -0.15 0.00 -1.03 0.00 0.00 55.69 53.78 2qkp s MET 406 Cb -0.10 0.24 0.02 0.00 -1.53 0.00 0.00 34.83 33.46 2qkp s MET 406 CO 0.06 -0.15 0.30 1.67 -2.03 0.00 0.00 175.02 174.88 2qkp s TRP 407 N -3.03 -0.17 0.05 3.16 -2.14 -1.26 0.01 118.94 115.56 2qkp s TRP 407 Ca -0.01 0.23 -0.27 0.00 2.66 0.00 0.00 56.10 58.71 2qkp s TRP 407 Cb 0.01 0.09 0.09 0.00 -3.10 0.00 0.00 33.47 30.56 2qkp s TRP 407 CO -0.07 -0.40 0.76 -0.59 -2.66 0.00 0.00 176.95 174.00 2qkp s PHE 408 N -1.42 -0.45 0.18 1.66 -0.12 -0.49 -5.00 117.98 112.34 2qkp s PHE 408 Ca -0.13 0.35 -0.30 0.00 -0.05 0.00 0.00 56.93 56.80 2qkp s PHE 408 Cb -0.05 0.53 -0.07 0.00 -0.63 0.00 0.00 43.02 42.80 2qkp s PHE 408 CO 0.04 -0.66 1.02 -1.14 -0.05 0.00 0.00 175.22 174.43 2qkp s GLN 409 N -3.13 4.69 -0.64 1.99 2.00 -1.26 -0.01 119.66 123.29 2qkp s GLN 409 Ca 0.02 1.59 0.05 0.00 -2.00 0.00 0.00 55.36 55.02 2qkp s GLN 409 Cb -0.01 -3.30 0.16 0.00 0.80 0.00 0.00 33.01 30.66 2qkp s GLN 409 CO -0.09 0.22 0.43 0.45 -0.50 0.00 0.00 175.29 175.81 2qkp s SER 410 N -0.37 4.52 0.25 6.67 0.15 0.55 -4.89 113.70 120.58 2qkp s SER 410 Ca 0.46 -3.60 -0.06 0.00 0.70 0.00 0.00 55.95 53.45 2qkp s SER 410 Cb -0.27 -1.56 0.25 0.00 -1.71 0.00 0.00 66.02 62.73 2qkp s SER 410 CO 0.33 -0.12 1.92 -0.08 1.20 0.00 0.00 173.24 176.49 2qkp h GLU 411 N 5.68 1.31 -0.80 5.44 4.81 -1.96 0.86 114.58 129.92 2qkp h GLU 411 Ca 0.10 -0.09 0.10 0.00 -0.13 0.00 0.00 59.36 59.34 2qkp h GLU 411 Cb 0.80 -0.29 -0.06 0.00 0.63 0.00 0.00 28.75 29.83 2qkp h GLU 411 CO 0.69 0.88 0.52 -0.09 -0.73 0.00 0.00 179.01 180.28 2qkp h ARG 412 N 1.35 0.70 0.00 1.92 2.43 -1.94 -2.30 114.38 116.54 2qkp h ARG 412 Ca 0.36 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.49 2qkp h ARG 412 Cb -0.14 -0.16 0.00 0.00 -0.42 0.00 0.00 29.97 29.25 2qkp h ARG 412 CO -0.08 0.46 -0.97 1.28 -1.51 0.00 0.00 179.97 179.15 2qkp n LEU 413 N -4.51 0.86 -2.13 3.80 4.32 -0.85 -4.97 117.00 113.52 2qkp n LEU 413 Ca 0.14 -0.38 -0.16 0.00 -0.02 0.00 0.00 56.01 55.58 2qkp n LEU 413 Cb 0.35 -0.04 0.02 0.00 -1.62 0.00 0.00 43.42 42.12 2qkp n LEU 413 CO 0.32 0.21 -0.06 0.61 -1.22 0.00 0.00 177.39 177.25 2qkp n GLY 414 N 1.48 -0.23 3.40 -0.72 0.00 0.23 -5.02 105.19 104.34 2qkp n GLY 414 Ca 0.04 -0.15 -0.27 0.00 0.00 0.00 0.00 46.02 45.64 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 -5.20 1.45 -0.24 1.61 1.02 -0.82 -5.00 119.74 112.55 2qkp s LYS 415 Ca 0.15 -1.44 -0.02 0.00 0.02 0.00 0.00 55.97 54.68 2qkp s LYS 415 Cb -0.07 -1.81 0.02 0.00 -0.52 0.00 0.00 37.83 35.45 2qkp s LYS 415 CO 0.19 0.41 -0.06 0.12 -0.92 0.00 0.00 175.35 175.09 2qkp s PHE 416 N -1.46 3.04 -0.13 3.18 5.36 -1.26 -0.33 117.98 126.38 2qkp s PHE 416 Ca 0.18 -1.44 -0.16 0.00 -0.96 0.00 0.00 56.93 54.55 2qkp s PHE 416 Cb -0.09 -2.07 -0.05 0.00 -0.34 0.00 0.00 43.02 40.48 2qkp s PHE 416 CO 0.08 -0.70 0.38 0.08 -1.46 0.00 0.00 175.22 173.61 2qkp s VAL 417 N 1.36 5.23 -0.16 3.12 1.01 0.98 -0.45 120.40 131.49 2qkp s VAL 417 Ca 0.01 0.75 0.01 0.00 0.00 0.00 0.00 61.98 62.76 2qkp s VAL 417 Cb -0.16 -3.72 0.02 0.00 0.00 0.00 0.00 36.38 32.52 2qkp s VAL 417 CO -0.04 0.38 -0.19 -0.47 0.00 0.00 0.00 175.10 174.77 2qkp s TYR 418 N 0.40 2.57 -0.07 5.22 5.04 0.01 -1.39 117.35 129.12 2qkp s TYR 418 Ca 0.21 -1.42 0.03 0.00 -2.44 0.00 0.00 57.07 53.45 2qkp s TYR 418 Cb -0.14 -1.79 -0.02 0.00 0.35 0.00 0.00 41.96 40.36 2qkp s TYR 418 CO 0.07 -0.70 -0.14 0.08 -1.34 0.00 0.00 175.55 173.53 2qkp s VAL 419 N 1.15 3.04 -0.05 3.14 1.01 0.10 -0.74 120.40 128.05 2qkp s VAL 419 Ca 0.00 -0.71 0.02 0.00 0.00 0.00 0.00 61.98 61.29 2qkp s VAL 419 Cb -0.14 -2.21 0.01 0.00 0.00 0.00 0.00 36.38 34.04 2qkp s VAL 419 CO -0.08 0.57 -0.09 -0.89 0.00 0.00 0.00 175.10 174.60 2qkp s THR 420 N -0.39 0.89 -0.25 3.92 2.01 -0.60 -1.22 115.64 120.00 2qkp s THR 420 Ca 0.04 -0.36 -0.07 0.00 0.31 0.00 0.00 61.69 61.62 2qkp s THR 420 Cb -0.12 -0.83 -0.02 0.00 0.01 0.00 0.00 72.50 71.53 2qkp s THR 420 CO 0.02 0.30 0.06 -0.31 -0.69 0.00 0.00 174.62 173.99 2qkp s TYR 421 N 0.62 3.07 -0.04 4.92 2.02 0.14 -1.42 117.35 126.66 2qkp s TYR 421 Ca -0.11 -0.53 0.07 0.00 -0.37 0.00 0.00 57.07 56.13 2qkp s TYR 421 Cb -0.14 -2.22 -0.02 0.00 -0.40 0.00 0.00 41.96 39.18 2qkp s TYR 421 CO 0.02 -0.40 -0.25 0.00 -1.57 0.00 0.00 175.55 173.35 2qkp s ALA 422 N 1.59 2.20 0.07 3.71 0.00 0.90 -0.58 121.76 129.64 2qkp s ALA 422 Ca 0.06 -1.08 -0.31 0.00 0.00 0.00 0.00 51.96 50.64 2qkp s ALA 422 Cb -0.15 -0.64 -0.06 0.00 0.00 0.00 0.00 23.12 22.27 2qkp s ALA 422 CO 0.03 0.48 1.23 0.00 0.00 0.00 0.00 175.76 177.49 2qkp s ALA 423 N -0.41 3.42 -0.27 0.00 0.00 0.22 -1.16 121.76 123.57 2qkp s ALA 423 Ca 0.04 0.88 -0.14 0.00 0.00 0.00 0.00 51.96 52.74 2qkp s ALA 423 Cb -0.12 -3.46 -0.04 0.00 0.00 0.00 0.00 23.12 19.50 2qkp s ALA 423 CO 0.01 -0.47 0.32 0.08 0.00 0.00 0.00 175.76 175.70 2qkp s VAL 424 N 1.11 5.22 0.05 0.00 1.01 -0.37 -4.91 120.40 122.52 2qkp s VAL 424 Ca 0.60 0.46 0.05 0.00 0.00 0.00 0.00 61.98 63.08 2qkp s VAL 424 Cb -0.30 -3.65 -0.02 0.00 0.00 0.00 0.00 36.38 32.40 2qkp s VAL 424 CO 0.29 0.20 -0.13 -0.13 0.00 0.00 0.00 175.10 175.32 2qkp s ARG 425 N 1.88 0.85 0.91 2.72 0.52 -1.26 0.15 118.95 124.72 2qkp s ARG 425 Ca 0.13 -0.81 -0.14 0.00 -0.52 0.00 0.00 55.73 54.39 2qkp s ARG 425 Cb -0.16 -0.84 0.21 0.00 0.52 0.00 0.00 34.95 34.68 2qkp s ARG 425 CO 0.10 0.20 1.24 -0.40 0.02 0.00 0.00 175.30 176.46 2qkp n ASP 426 N 1.68 0.26 0.23 0.23 5.68 -0.42 -4.86 116.55 119.34 2qkp n ASP 426 Ca -0.19 -1.55 0.16 0.00 -0.50 0.00 0.00 54.79 52.71 2qkp n ASP 426 Cb 0.55 -0.93 0.72 0.00 -1.14 0.00 0.00 41.12 40.31 2qkp n ASP 426 CO 0.00 0.00 0.00 1.56 -1.33 0.00 0.00 177.20 177.43 2qkp h GLN 427 N 0.00 0.00 0.00 0.11 1.08 -2.02 0.54 115.11 114.82 2qkp h GLN 427 Ca -0.40 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 56.80 2qkp h GLN 427 Cb 1.15 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.58 2qkp h GLN 427 CO 0.30 0.00 -0.04 0.00 -0.95 0.00 0.00 178.83 178.14 2qkp h ALA 428 N 2.08 0.97 0.00 3.87 0.00 -2.06 -3.47 119.26 120.66 2qkp h ALA 428 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2qkp h ALA 428 Cb 0.28 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.07 2qkp h ALA 428 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.66 2qkp n GLY 429 N 1.29 0.67 3.74 0.00 0.00 0.18 -5.06 105.19 106.00 2qkp n GLY 429 Ca 0.05 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.67 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 -2.84 7.43 0.13 1.61 1.01 -1.26 -4.75 116.67 118.00 2qkp s ASP 430 Ca 0.00 1.71 -0.31 0.00 0.71 0.00 0.00 52.55 54.66 2qkp s ASP 430 Cb 0.00 -2.55 -0.10 0.00 1.01 0.00 0.00 42.92 41.28 2qkp s ASP 430 CO 0.00 -0.01 1.68 0.12 0.21 0.00 0.00 175.17 177.17 2qkp s PHE 431 N -0.19 2.62 -0.14 4.23 5.36 -1.26 -1.31 117.98 127.29 2qkp s PHE 431 Ca 0.44 0.33 0.03 0.00 -0.96 0.00 0.00 56.93 56.77 2qkp s PHE 431 Cb -0.23 -4.03 -0.02 0.00 -0.34 0.00 0.00 43.02 38.40 2qkp s PHE 431 CO 0.28 -4.03 0.16 1.04 -1.46 0.00 0.00 175.22 171.21 2qkp n GLN 432 N 4.89 5.40 -1.25 10.12 1.13 0.12 -4.86 117.38 132.93 2qkp n GLN 432 Ca 0.16 -0.08 0.00 0.00 -1.94 0.00 0.00 57.00 55.14 2qkp n GLN 432 Cb 0.39 -0.67 0.00 0.00 0.11 0.00 0.00 30.24 30.07 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 0.96 0.36 3.28 1.08 0.00 -1.19 -2.49 105.19 107.18 2qkp n GLY 433 Ca 0.01 -1.68 -0.32 0.00 0.00 0.00 0.00 46.02 44.03 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 -2.59 2.45 -0.24 1.61 1.01 0.37 -1.24 120.40 121.77 2qkp s VAL 434 Ca 0.00 -0.88 -0.09 0.00 0.00 0.00 0.00 61.98 61.01 2qkp s VAL 434 Cb 0.00 -1.98 -0.04 0.00 0.00 0.00 0.00 36.38 34.36 2qkp s VAL 434 CO 0.00 0.55 0.13 -0.22 0.00 0.00 0.00 175.10 175.56 2qkp s LEU 435 N 0.35 3.87 -0.12 3.92 2.96 -0.31 -1.49 118.68 127.87 2qkp s LEU 435 Ca -0.16 -0.01 -0.01 0.00 -0.22 0.00 0.00 54.13 53.74 2qkp s LEU 435 Cb -0.17 -2.04 -0.02 0.00 0.50 0.00 0.00 46.19 44.45 2qkp s LEU 435 CO 0.08 0.03 -0.08 -0.70 -1.32 0.00 0.00 176.35 174.35 2qkp s GLU 436 N 1.27 3.31 -0.01 1.98 2.12 -0.27 -0.07 118.70 127.04 2qkp s GLU 436 Ca 0.06 -0.59 0.00 0.00 0.36 0.00 0.00 54.97 54.81 2qkp s GLU 436 Cb -0.14 -2.72 0.01 0.00 0.26 0.00 0.00 34.13 31.53 2qkp s GLU 436 CO 0.05 0.35 -0.00 1.52 -0.54 0.00 0.00 175.26 176.64 2qkp s TYR 437 N 0.03 0.09 -0.10 5.30 -0.85 -0.51 -0.85 117.35 120.47 2qkp s TYR 437 Ca -0.02 0.01 0.03 0.00 -0.52 0.00 0.00 57.07 56.57 2qkp s TYR 437 Cb -0.14 -0.11 -0.01 0.00 0.38 0.00 0.00 41.96 42.09 2qkp s TYR 437 CO 0.03 -0.02 -0.21 0.08 -1.52 0.00 0.00 175.55 173.91 2qkp s VAL 438 N 0.22 2.31 0.03 -3.49 1.01 0.19 -1.55 120.40 119.12 2qkp s VAL 438 Ca -0.02 -0.94 0.06 0.00 0.00 0.00 0.00 61.98 61.08 2qkp s VAL 438 Cb -0.03 -1.90 -0.02 0.00 0.00 0.00 0.00 36.38 34.43 2qkp s VAL 438 CO -0.01 0.55 -0.17 -1.58 0.00 0.00 0.00 175.10 173.90 2qkp s GLN 439 N 0.24 1.16 -0.34 2.72 0.74 0.08 -1.28 119.66 122.98 2qkp s GLN 439 Ca -0.14 -0.77 -0.22 0.00 0.05 0.00 0.00 55.36 54.27 2qkp s GLN 439 Cb -0.17 -1.19 0.00 0.00 1.10 0.00 0.00 33.01 32.75 2qkp s GLN 439 CO 0.07 0.31 0.73 0.34 -0.55 0.00 0.00 175.29 176.19 2qkp s ASP 440 N -0.98 6.54 0.00 6.67 2.15 -1.26 -0.81 116.67 128.98 2qkp s ASP 440 Ca 0.05 0.38 0.20 0.00 0.43 0.00 0.00 52.55 53.61 2qkp s ASP 440 Cb -0.08 -2.37 0.14 0.00 -0.30 0.00 0.00 42.92 40.31 2qkp s ASP 440 CO 0.01 -0.64 1.12 2.30 -0.17 0.00 0.00 175.17 177.79 2qkp n ILE 441 N 5.64 0.00 -0.26 4.11 -5.35 0.40 -4.53 119.36 119.36 2qkp n ILE 441 Ca 0.02 -0.48 0.04 0.00 -0.27 0.00 0.00 62.75 62.06 2qkp n ILE 441 Cb 0.48 1.40 0.18 0.00 -1.74 0.00 0.00 39.64 39.96 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 3.75 0.53 -0.69 6.28 3.64 -1.91 -0.83 116.57 127.34 2qkp h LYS 442 Ca 0.00 -0.03 0.16 0.00 -1.27 0.00 0.00 60.65 59.51 2qkp h LYS 442 Cb 0.82 -0.12 -0.04 0.00 -0.41 0.00 0.00 32.23 32.48 2qkp h LYS 442 CO 0.00 0.35 0.47 -1.35 -2.27 0.00 0.00 179.45 176.66 2qkp h PRO 443 N 0.55 0.22 0.00 1.90 0.11 -1.94 -1.42 132.00 131.42 2qkp h PRO 443 Ca 0.41 -0.01 -0.03 0.00 0.11 0.00 0.00 66.00 66.47 2qkp h PRO 443 Cb 0.54 -0.05 -0.00 0.00 0.11 0.00 0.00 31.00 31.60 2qkp h PRO 443 CO -0.34 0.15 -0.14 0.74 -0.21 0.00 0.00 178.00 178.19 2qkp h PHE 444 N 0.23 0.00 0.00 0.65 0.04 -1.47 -3.02 116.94 113.36 2qkp h PHE 444 Ca 0.33 0.00 -0.03 0.00 2.80 0.00 0.00 57.97 61.07 2qkp h PHE 444 Cb 0.99 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 39.13 2qkp h PHE 444 CO -0.00 0.14 -0.15 0.74 -0.60 0.00 0.00 178.31 178.44 2qkp h PHE 445 N 0.00 0.00 0.00 -0.55 0.05 -1.28 -1.30 116.94 113.86 2qkp h PHE 445 Ca -0.00 0.00 -0.00 0.00 3.82 0.00 0.00 57.97 61.79 2qkp h PHE 445 Cb 0.60 0.00 -0.00 0.00 2.00 0.00 0.00 35.95 38.55 2qkp h PHE 445 CO 0.00 0.15 -0.00 0.93 -0.18 0.00 0.00 178.31 179.21 2qkp h GLU 446 N 0.00 0.00 -0.44 1.51 5.08 -1.67 -2.72 114.58 116.34 2qkp h GLU 446 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 2qkp h GLU 446 Cb 0.33 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.58 2qkp h GLU 446 CO 0.02 0.00 0.00 1.28 -1.00 0.00 0.00 179.01 179.31 2qkp n LEU 447 N -3.13 2.26 0.00 1.33 4.77 -0.49 -5.21 117.00 116.54 2qkp n LEU 447 Ca -0.02 -1.13 0.00 0.00 -0.03 0.00 0.00 56.01 54.82 2qkp n LEU 447 Cb 0.12 -0.30 0.00 0.00 -2.33 0.00 0.00 43.42 40.91 2qkp n LEU 447 CO 0.22 0.52 0.00 -0.90 -1.33 0.00 0.00 177.39 175.90