#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3dob s ASP 396 N 0.00 6.68 0.10 0.00 1.01 -1.26 -5.03 116.67 118.17 3dob s ASP 396 Ca 0.00 1.87 -0.06 0.00 0.71 0.00 0.00 52.55 55.08 3dob s ASP 396 Cb 0.00 -2.56 -0.02 0.00 1.01 0.00 0.00 42.92 41.35 3dob s ASP 396 CO 0.00 -0.54 0.14 0.68 0.21 0.00 0.00 175.17 175.65 3dob s VAL 397 N -1.95 0.14 -0.28 -1.27 -7.23 -1.26 -1.97 120.40 106.59 3dob s VAL 397 Ca 0.62 -1.49 -0.29 0.00 -1.81 0.00 0.00 61.98 59.01 3dob s VAL 397 Cb -0.15 -1.61 -0.01 0.00 0.56 0.00 0.00 36.38 35.17 3dob s VAL 397 CO 0.20 -0.62 1.37 0.00 -0.31 0.00 0.00 175.10 175.73 3dob s ALA 398 N -3.93 3.36 0.18 1.32 0.00 -0.11 -4.82 121.76 117.75 3dob s ALA 398 Ca 0.11 0.20 0.21 0.00 0.00 0.00 0.00 51.96 52.49 3dob s ALA 398 Cb 0.06 -3.78 0.84 0.00 0.00 0.00 0.00 23.12 20.23 3dob s ALA 398 CO -0.06 -1.78 1.80 -1.00 0.00 0.00 0.00 175.76 174.72 3dob h PRO 399 N 9.54 0.00 -5.63 0.00 0.13 -1.93 0.32 132.00 134.44 3dob h PRO 399 Ca -0.28 0.00 -0.46 0.00 -0.87 0.00 0.00 66.00 64.39 3dob h PRO 399 Cb 1.11 0.00 -0.20 0.00 0.13 0.00 0.00 31.00 32.04 3dob h PRO 399 CO 1.02 0.29 -0.78 -0.51 -0.23 0.00 0.00 178.00 177.79 3dob s LEU 400 N -7.00 2.34 0.46 1.56 1.43 -1.26 -4.61 118.68 111.61 3dob s LEU 400 Ca -0.00 -0.72 -0.25 0.00 -1.03 0.00 0.00 54.13 52.13 3dob s LEU 400 Cb 0.11 -0.65 -0.08 0.00 0.03 0.00 0.00 46.19 45.61 3dob s LEU 400 CO 0.66 -0.06 1.38 -0.44 0.23 0.00 0.00 176.35 178.12 3dob s SER 401 N -2.11 5.84 -0.07 2.29 0.01 -1.26 -4.09 113.70 114.31 3dob s SER 401 Ca 0.05 2.83 0.03 0.00 1.31 0.00 0.00 55.95 60.17 3dob s SER 401 Cb -0.08 -2.65 0.01 0.00 0.21 0.00 0.00 66.02 63.51 3dob s SER 401 CO 0.03 -1.19 -0.15 -0.76 0.41 0.00 0.00 173.24 171.58 3dob s LEU 402 N -2.84 1.79 0.00 2.44 1.43 0.55 -1.02 118.68 121.02 3dob s LEU 402 Ca 0.62 -0.36 0.00 0.00 -1.03 0.00 0.00 54.13 53.37 3dob s LEU 402 Cb -0.42 -0.96 0.00 0.00 0.03 0.00 0.00 46.19 44.84 3dob s LEU 402 CO 0.53 0.08 0.00 0.61 0.23 0.00 0.00 176.35 177.80 3dob n GLY 403 N 3.62 2.28 3.32 -3.19 0.00 -0.58 -0.23 105.19 110.42 3dob n GLY 403 Ca -0.21 -0.80 -0.17 0.00 0.00 0.00 0.00 46.02 44.83 3dob n GLY 403 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 3dob s ILE 404 N -2.80 1.54 -0.03 -0.61 -4.36 -0.05 -0.83 121.20 114.06 3dob s ILE 404 Ca 0.00 -2.16 -0.30 0.00 -0.26 0.00 0.00 60.65 57.93 3dob s ILE 404 Cb 0.00 -2.03 -0.03 0.00 1.25 0.00 0.00 42.46 41.65 3dob s ILE 404 CO 0.00 -0.61 1.02 -0.70 0.24 0.00 0.00 174.94 174.90 3dob s GLU 405 N -3.69 4.49 0.33 0.37 2.12 -0.59 -1.10 118.70 120.63 3dob s GLU 405 Ca 0.22 1.46 0.07 0.00 0.36 0.00 0.00 54.97 57.08 3dob s GLU 405 Cb 0.01 -3.48 -0.03 0.00 0.26 0.00 0.00 34.13 30.89 3dob s GLU 405 CO 0.05 -0.18 0.29 0.95 -0.54 0.00 0.00 175.26 175.83 3dob s THR 406 N 1.42 3.63 -0.12 -1.70 -4.23 -0.19 -4.74 115.64 109.72 3dob s THR 406 Ca 0.52 -1.36 -0.36 0.00 -1.18 0.00 0.00 61.69 59.31 3dob s THR 406 Cb -0.21 -3.21 -0.17 0.00 1.34 0.00 0.00 72.50 70.25 3dob s THR 406 CO 0.24 -0.19 1.03 0.00 -0.54 0.00 0.00 174.62 175.17 3dob n ALA 407 N -1.37 -2.62 -0.38 3.99 0.00 0.32 -2.05 120.51 118.40 3dob n ALA 407 Ca -0.02 0.49 0.00 0.00 0.00 0.00 0.00 53.44 53.90 3dob n ALA 407 Cb 0.59 -1.53 0.00 0.00 0.00 0.00 0.00 19.45 18.51 3dob n ALA 407 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3dob n GLY 408 N 1.86 0.79 2.04 0.00 0.00 -1.26 -4.22 105.19 104.40 3dob n GLY 408 Ca 0.20 -0.20 -0.01 0.00 0.00 0.00 0.00 46.02 46.00 3dob n GLY 408 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3dob n GLY 409 N -2.38 0.48 3.74 -0.02 0.00 -0.96 -5.02 105.19 101.02 3dob n GLY 409 Ca 0.00 -0.94 -0.40 0.00 0.00 0.00 0.00 46.02 44.68 3dob n GLY 409 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3dob s VAL 410 N -2.04 4.84 -0.10 1.61 1.01 -0.87 -0.70 120.40 124.15 3dob s VAL 410 Ca 0.00 1.59 -0.29 0.00 0.00 0.00 0.00 61.98 63.27 3dob s VAL 410 Cb 0.00 -4.10 -0.04 0.00 0.00 0.00 0.00 36.38 32.24 3dob s VAL 410 CO 0.00 0.32 1.48 -0.32 0.00 0.00 0.00 175.10 176.59 3dob s MET 411 N 0.25 4.20 -0.27 2.72 1.75 0.53 -1.02 119.30 127.47 3dob s MET 411 Ca 0.39 1.96 0.02 0.00 -1.25 0.00 0.00 55.69 56.81 3dob s MET 411 Cb -0.20 -3.89 0.06 0.00 2.84 0.00 0.00 34.83 33.64 3dob s MET 411 CO 0.22 -0.79 -0.10 0.99 -0.65 0.00 0.00 175.02 174.70 3dob s THR 412 N 3.80 2.27 0.35 10.11 2.01 -0.26 -4.91 115.64 129.01 3dob s THR 412 Ca 0.65 -1.61 -0.28 0.00 0.31 0.00 0.00 61.69 60.76 3dob s THR 412 Cb -0.28 -2.34 -0.10 0.00 0.01 0.00 0.00 72.50 69.79 3dob s THR 412 CO 0.23 -0.04 1.28 0.20 -0.69 0.00 0.00 174.62 175.59 3dob s ASN 413 N 1.12 6.68 -0.13 3.53 -0.87 -1.26 -0.87 114.94 123.13 3dob s ASN 413 Ca -0.08 2.62 0.03 0.00 -1.57 0.00 0.00 52.86 53.85 3dob s ASN 413 Cb -0.20 -2.64 -0.10 0.00 -0.02 0.00 0.00 41.25 38.29 3dob s ASN 413 CO -0.05 -0.59 -0.09 0.18 -2.57 0.00 0.00 177.10 173.99 3dob n LEU 414 N 0.60 2.35 -3.96 0.60 7.99 0.68 -4.92 117.00 120.35 3dob n LEU 414 Ca 0.01 -0.06 -0.28 0.00 -0.01 0.00 0.00 56.01 55.67 3dob n LEU 414 Cb 0.43 -0.32 -0.17 0.00 -0.11 0.00 0.00 43.42 43.25 3dob n LEU 414 CO 0.57 0.63 -0.46 -0.63 -1.51 0.00 0.00 177.39 175.99 3dob s ILE 415 N -2.27 1.28 0.35 -0.08 1.01 -0.73 -4.80 121.20 115.96 3dob s ILE 415 Ca -0.15 -0.45 -0.27 0.00 0.00 0.00 0.00 60.65 59.78 3dob s ILE 415 Cb 0.04 -1.24 -0.09 0.00 0.01 0.00 0.00 42.46 41.19 3dob s ILE 415 CO 0.34 0.41 1.10 -1.81 0.00 0.00 0.00 174.94 174.97 3dob s ASP 416 N 1.56 6.91 0.03 3.58 1.01 -1.26 -0.33 116.67 128.17 3dob s ASP 416 Ca 0.04 2.21 -0.36 0.00 0.71 0.00 0.00 52.55 55.15 3dob s ASP 416 Cb -0.13 -2.61 -0.19 0.00 1.01 0.00 0.00 42.92 41.01 3dob s ASP 416 CO -0.09 -0.39 0.93 -1.14 0.21 0.00 0.00 175.17 174.69 3dob n ARG 417 N 0.48 0.00 -0.75 8.23 0.63 -1.26 -2.44 116.66 121.55 3dob n ARG 417 Ca 0.02 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.95 3dob n ARG 417 Cb 0.47 -1.35 0.00 0.00 0.45 0.00 0.00 32.46 32.03 3dob n ARG 417 CO 0.00 0.00 0.00 0.09 -2.51 0.00 0.00 177.63 175.21 3dob n ASN 418 N 1.50 -2.20 -4.68 6.15 3.02 0.11 -4.90 115.26 114.26 3dob n ASN 418 Ca 0.19 0.00 -0.42 0.00 -0.03 0.00 0.00 54.58 54.31 3dob n ASN 418 Cb 0.10 -0.37 -0.03 0.00 -0.61 0.00 0.00 39.78 38.88 3dob n ASN 418 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 3dob s THR 419 N -2.03 4.21 0.41 3.41 2.01 -1.02 -4.78 115.64 117.84 3dob s THR 419 Ca 0.00 1.53 -0.25 0.00 0.31 0.00 0.00 61.69 63.28 3dob s THR 419 Cb 0.00 -3.99 -0.11 0.00 0.01 0.00 0.00 72.50 68.42 3dob s THR 419 CO 0.00 -0.02 1.12 0.54 -0.69 0.00 0.00 174.62 175.58 3dob n ARG 420 N 5.37 1.61 -4.23 4.92 5.12 -1.26 -0.94 116.66 127.24 3dob n ARG 420 Ca 0.11 0.57 -0.30 0.00 -1.93 0.00 0.00 57.85 56.31 3dob n ARG 420 Cb 0.46 -2.17 -0.10 0.00 -1.16 0.00 0.00 32.46 29.49 3dob n ARG 420 CO 0.00 0.00 0.00 0.96 -1.93 0.00 0.00 177.63 176.66 3dob s ILE 421 N -1.22 3.34 0.61 0.55 -4.36 -0.83 -4.27 121.20 115.02 3dob s ILE 421 Ca 0.62 -1.28 -0.17 0.00 -0.26 0.00 0.00 60.65 59.55 3dob s ILE 421 Cb -0.55 -2.56 -0.02 0.00 1.25 0.00 0.00 42.46 40.57 3dob s ILE 421 CO 0.58 0.11 1.11 -2.16 0.24 0.00 0.00 174.94 174.82 3dob s PRO 422 N -2.21 3.03 0.06 0.37 0.04 -1.26 -4.75 135.00 130.29 3dob s PRO 422 Ca 0.21 1.46 -0.20 0.00 0.04 0.00 0.00 61.00 62.51 3dob s PRO 422 Cb -0.11 -1.98 0.05 0.00 0.04 0.00 0.00 34.50 32.50 3dob s PRO 422 CO 0.14 -1.08 0.47 -0.08 0.04 0.00 0.00 177.00 176.49 3dob s THR 423 N -2.14 0.04 -0.06 1.26 -1.32 -0.46 -5.00 115.64 107.97 3dob s THR 423 Ca 0.69 -0.35 -0.04 0.00 -1.21 0.00 0.00 61.69 60.78 3dob s THR 423 Cb -0.21 -1.00 0.03 0.00 -1.51 0.00 0.00 72.50 69.80 3dob s THR 423 CO 0.36 -0.19 0.14 -0.75 -2.21 0.00 0.00 174.62 171.97 3dob s LYS 424 N -2.72 0.13 0.05 7.08 2.20 -1.26 0.02 119.74 125.23 3dob s LYS 424 Ca -0.04 0.28 -0.06 0.00 -0.36 0.00 0.00 55.97 55.79 3dob s LYS 424 Cb -0.00 -0.04 -0.01 0.00 -1.51 0.00 0.00 37.83 36.27 3dob s LYS 424 CO -0.04 -0.09 0.11 0.00 -0.36 0.00 0.00 175.35 174.97 3dob s ALA 425 N 0.58 -0.06 -0.14 3.13 0.00 -0.54 -5.02 121.76 119.71 3dob s ALA 425 Ca -0.04 -0.61 -0.14 0.00 0.00 0.00 0.00 51.96 51.17 3dob s ALA 425 Cb -0.06 0.29 0.04 0.00 0.00 0.00 0.00 23.12 23.39 3dob s ALA 425 CO -0.03 -0.36 0.41 0.00 0.00 0.00 0.00 175.76 175.78 3dob s LYS 427 N 0.11 0.58 -0.19 0.00 1.02 -0.80 -4.99 119.74 115.48 3dob s LYS 427 Ca -0.01 -0.86 -0.16 0.00 0.02 0.00 0.00 55.97 54.96 3dob s LYS 427 Cb -0.03 -0.28 -0.04 0.00 -0.52 0.00 0.00 37.83 36.96 3dob s LYS 427 CO 0.01 0.04 0.42 0.99 -0.92 0.00 0.00 175.35 175.89 3dob s THR 428 N -1.76 5.19 0.44 2.17 2.01 -1.26 -1.16 115.64 121.27 3dob s THR 428 Ca -0.06 0.77 0.07 0.00 0.31 0.00 0.00 61.69 62.77 3dob s THR 428 Cb -0.07 -3.75 -0.04 0.00 0.01 0.00 0.00 72.50 68.65 3dob s THR 428 CO -0.00 0.26 0.20 -0.36 -0.69 0.00 0.00 174.62 174.03 3dob s PHE 429 N 1.19 2.42 0.34 4.92 0.40 0.21 -4.91 117.98 122.56 3dob s PHE 429 Ca 0.21 -0.65 -0.04 0.00 -0.60 0.00 0.00 56.93 55.85 3dob s PHE 429 Cb -0.15 -1.93 0.00 0.00 0.51 0.00 0.00 43.02 41.45 3dob s PHE 429 CO 0.08 0.10 0.48 -0.08 0.70 0.00 0.00 175.22 176.50 3dob s THR 430 N -2.64 0.00 0.37 0.64 -1.32 -0.02 0.58 115.64 113.25 3dob s THR 430 Ca 0.37 -1.57 -0.21 0.00 -1.21 0.00 0.00 61.69 59.07 3dob s THR 430 Cb 0.03 -2.62 -0.10 0.00 -1.51 0.00 0.00 72.50 68.29 3dob s THR 430 CO 0.21 0.00 0.91 0.42 -2.21 0.00 0.00 174.62 173.94 3dob s THR 431 N -3.09 4.39 0.02 5.08 -4.23 -1.26 -0.11 115.64 116.44 3dob s THR 431 Ca 0.30 1.49 0.03 0.00 -1.18 0.00 0.00 61.69 62.33 3dob s THR 431 Cb -0.01 -3.73 -0.25 0.00 1.34 0.00 0.00 72.50 69.86 3dob s THR 431 CO 0.19 -0.15 0.90 0.22 -0.54 0.00 0.00 174.62 175.25 3dob h TYR 432 N 2.39 0.22 -3.95 3.99 3.20 -1.73 -1.95 116.97 119.14 3dob h TYR 432 Ca -0.48 -0.16 -0.61 0.00 3.14 0.00 0.00 58.73 60.62 3dob h TYR 432 Cb 1.18 -0.01 -0.22 0.00 1.54 0.00 0.00 36.73 39.22 3dob h TYR 432 CO 0.62 1.20 -0.84 0.00 -1.64 0.00 0.00 178.16 177.49 3dob s ALA 433 N -2.63 2.01 0.21 1.82 0.00 -1.26 -4.82 121.76 117.09 3dob s ALA 433 Ca -0.06 -1.31 -0.32 0.00 0.00 0.00 0.00 51.96 50.27 3dob s ALA 433 Cb 0.08 -0.30 -0.14 0.00 0.00 0.00 0.00 23.12 22.76 3dob s ALA 433 CO 0.83 0.43 1.35 -0.25 0.00 0.00 0.00 175.76 178.12 3dob n ASP 434 N 1.09 2.35 -1.37 0.00 8.00 -1.26 -2.23 116.55 123.13 3dob n ASP 434 Ca -0.19 1.14 -0.18 0.00 0.71 0.00 0.00 54.79 56.28 3dob n ASP 434 Cb 0.53 -1.36 -0.08 0.00 -0.02 0.00 0.00 41.12 40.19 3dob n ASP 434 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 3dob n ASN 435 N 2.19 -5.42 -4.68 -2.24 3.02 0.61 -4.87 115.26 103.88 3dob n ASN 435 Ca 0.13 0.43 -0.49 0.00 -0.03 0.00 0.00 54.58 54.62 3dob n ASN 435 Cb 0.29 -4.55 -0.05 0.00 -0.61 0.00 0.00 39.78 34.86 3dob n ASN 435 CO 0.00 0.00 0.00 1.67 -2.62 0.00 0.00 177.26 176.31 3dob n GLN 436 N -1.89 2.01 0.07 3.52 7.27 -0.95 -4.76 117.38 122.66 3dob n GLN 436 Ca -0.18 0.73 0.13 0.00 0.07 0.00 0.00 57.00 57.76 3dob n GLN 436 Cb 0.64 -2.54 0.39 0.00 2.41 0.00 0.00 30.24 31.15 3dob n GLN 436 CO 0.00 0.00 0.00 -0.35 0.07 0.00 0.00 177.06 176.78 3dob n PRO 437 N 5.66 0.19 -3.78 3.69 -0.04 -1.26 -4.73 135.00 134.74 3dob n PRO 437 Ca 0.22 0.13 -0.06 0.00 -0.04 0.00 0.00 63.50 63.74 3dob n PRO 437 Cb 0.27 -1.70 -0.02 0.00 -0.04 0.00 0.00 33.50 32.02 3dob n PRO 437 CO 0.00 0.00 0.00 0.20 -0.04 0.00 0.00 175.50 175.66 3dob s GLY 438 N -3.43 -0.18 0.09 0.55 0.00 -1.26 -1.06 107.32 102.02 3dob s GLY 438 Ca 0.11 -0.08 0.05 0.00 0.00 0.00 0.00 44.72 44.79 3dob s GLY 438 CO 0.61 -0.03 -0.13 -1.34 0.00 0.00 0.00 173.10 172.21 3dob s VAL 439 N -3.70 1.09 -0.29 1.40 -7.23 0.65 -4.93 120.40 107.38 3dob s VAL 439 Ca 0.10 -1.45 -0.08 0.00 -1.81 0.00 0.00 61.98 58.74 3dob s VAL 439 Cb -0.04 -1.20 -0.01 0.00 0.56 0.00 0.00 36.38 35.69 3dob s VAL 439 CO 0.04 -0.35 0.11 -0.55 -0.31 0.00 0.00 175.10 174.04 3dob s SER 440 N -2.03 5.34 -0.55 4.85 0.15 0.20 -1.16 113.70 120.50 3dob s SER 440 Ca 0.01 -0.50 -0.22 0.00 0.70 0.00 0.00 55.95 55.94 3dob s SER 440 Cb -0.07 -1.95 0.06 0.00 -1.71 0.00 0.00 66.02 62.34 3dob s SER 440 CO 0.02 -0.16 0.82 -0.63 1.20 0.00 0.00 173.24 174.49 3dob s ILE 441 N 1.58 4.58 -0.35 6.45 -1.09 0.14 -4.79 121.20 127.73 3dob s ILE 441 Ca 0.04 -0.18 -0.06 0.00 -2.23 0.00 0.00 60.65 58.22 3dob s ILE 441 Cb -0.17 -4.47 0.05 0.00 -1.58 0.00 0.00 42.46 36.29 3dob s ILE 441 CO 0.05 -1.06 0.12 -1.10 -1.23 0.00 0.00 174.94 171.71 3dob s GLN 442 N 3.41 2.58 -0.18 2.79 -0.21 -1.26 -0.84 119.66 125.95 3dob s GLN 442 Ca 0.22 -1.23 -0.21 0.00 0.02 0.00 0.00 55.36 54.16 3dob s GLN 442 Cb -0.16 -3.48 -0.03 0.00 1.00 0.00 0.00 33.01 30.34 3dob s GLN 442 CO 0.14 -0.71 0.64 0.08 -2.12 0.00 0.00 175.29 173.33 3dob s VAL 443 N 1.39 5.02 0.22 1.09 1.01 -0.18 -1.54 120.40 127.41 3dob s VAL 443 Ca -0.01 1.23 0.07 0.00 0.00 0.00 0.00 61.98 63.26 3dob s VAL 443 Cb -0.20 -3.96 -0.05 0.00 0.00 0.00 0.00 36.38 32.17 3dob s VAL 443 CO 0.02 0.12 -0.11 -0.31 0.00 0.00 0.00 175.10 174.83 3dob s TYR 444 N 1.80 1.70 -0.04 5.22 1.51 -0.01 -0.55 117.35 126.98 3dob s TYR 444 Ca 0.30 -0.66 0.01 0.00 -1.01 0.00 0.00 57.07 55.72 3dob s TYR 444 Cb -0.16 -0.86 0.02 0.00 -0.11 0.00 0.00 41.96 40.85 3dob s TYR 444 CO 0.11 0.27 -0.05 -2.00 -1.11 0.00 0.00 175.55 172.77 3dob s GLU 445 N -3.70 0.86 0.00 -0.62 2.12 0.18 -1.53 118.70 116.02 3dob s GLU 445 Ca 0.24 -0.14 0.00 0.00 0.36 0.00 0.00 54.97 55.43 3dob s GLU 445 Cb 0.01 -0.84 0.00 0.00 0.26 0.00 0.00 34.13 33.56 3dob s GLU 445 CO 0.07 -0.04 0.00 0.41 -0.54 0.00 0.00 175.26 175.16 3dob n GLY 446 N 3.89 2.38 0.39 -1.50 0.00 -0.19 -1.22 105.19 108.94 3dob n GLY 446 Ca -0.24 -1.85 0.04 0.00 0.00 0.00 0.00 46.02 43.97 3dob n GLY 446 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3dob n GLU 447 N -1.90 0.99 -2.90 1.61 -0.58 -1.26 -4.24 120.64 112.36 3dob n GLU 447 Ca 0.00 -1.28 -0.31 0.00 -0.42 0.00 0.00 57.16 55.15 3dob n GLU 447 Cb 0.00 -1.18 -0.04 0.00 -0.57 0.00 0.00 31.44 29.65 3dob n GLU 447 CO 0.00 0.00 0.00 1.03 -0.48 0.00 0.00 177.13 177.68 3dob s ARG 448 N -0.80 3.84 0.28 3.49 1.81 -1.26 -4.91 118.95 121.40 3dob s ARG 448 Ca 0.12 0.55 0.03 0.00 -1.72 0.00 0.00 55.73 54.71 3dob s ARG 448 Cb 0.08 -2.39 0.39 0.00 -0.45 0.00 0.00 34.95 32.59 3dob s ARG 448 CO 0.11 -0.00 1.69 0.00 -0.68 0.00 0.00 175.30 176.42 3dob h ALA 449 N 1.48 1.06 -3.45 2.13 0.00 -1.93 -3.43 119.26 115.12 3dob h ALA 449 Ca -0.47 -0.39 -0.67 0.00 0.00 0.00 0.00 54.91 53.39 3dob h ALA 449 Cb 1.18 -0.11 -0.19 0.00 0.00 0.00 0.00 17.79 18.68 3dob h ALA 449 CO 0.64 0.58 -0.67 -1.64 0.00 0.00 0.00 179.25 178.16 3dob s MET 450 N -4.32 3.16 0.61 0.00 -1.94 -1.26 -0.34 119.30 115.21 3dob s MET 450 Ca -0.06 -0.51 0.37 0.00 -1.71 0.00 0.00 55.69 53.78 3dob s MET 450 Cb 0.13 -2.76 1.96 0.00 2.01 0.00 0.00 34.83 36.17 3dob s MET 450 CO 0.79 0.50 2.23 1.79 -0.01 0.00 0.00 175.02 180.32 3dob h THR 451 N 4.59 0.22 0.00 2.05 1.35 -1.17 -2.28 112.91 117.67 3dob h THR 451 Ca -0.42 -0.19 -0.02 0.00 -0.55 0.00 0.00 66.41 65.23 3dob h THR 451 Cb 1.18 1.15 -0.00 0.00 -1.73 0.00 0.00 68.15 68.75 3dob h THR 451 CO 0.57 0.03 -0.08 0.08 -0.25 0.00 0.00 175.52 175.86 3dob h ARG 452 N 0.00 0.00 -0.39 4.72 0.11 -1.97 -1.55 114.38 115.31 3dob h ARG 452 Ca -0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 3dob h ARG 452 Cb 0.15 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.23 3dob h ARG 452 CO 0.00 0.08 0.00 -0.25 0.10 0.00 0.00 179.97 179.90 3dob n ASP 453 N -3.45 3.08 -4.75 0.08 8.00 -0.86 -4.91 116.55 113.75 3dob n ASP 453 Ca -0.02 -1.94 -0.27 0.00 0.71 0.00 0.00 54.79 53.27 3dob n ASP 453 Cb 0.22 -0.25 -0.02 0.00 -0.02 0.00 0.00 41.12 41.06 3dob n ASP 453 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 3dob n ASN 454 N 1.23 2.89 -4.42 -2.24 3.02 -0.58 -4.75 115.26 110.40 3dob n ASN 454 Ca 0.19 -2.94 -0.35 0.00 -0.03 0.00 0.00 54.58 51.45 3dob n ASN 454 Cb 0.54 0.06 -0.13 0.00 -0.61 0.00 0.00 39.78 39.63 3dob n ASN 454 CO 0.00 0.00 0.00 -2.28 -2.62 0.00 0.00 177.26 172.36 3dob s HIS 455 N -2.71 3.02 0.12 3.10 5.65 -0.36 -4.94 115.29 119.17 3dob s HIS 455 Ca 0.23 -0.53 -0.26 0.00 0.25 0.00 0.00 55.06 54.75 3dob s HIS 455 Cb -0.02 -2.08 -0.07 0.00 -1.18 0.00 0.00 32.58 29.23 3dob s HIS 455 CO 0.15 -0.29 0.80 0.50 -0.65 0.00 0.00 174.74 175.25 3dob s ARG 456 N 1.06 4.57 -0.06 2.88 3.52 -1.26 -0.65 118.95 129.01 3dob s ARG 456 Ca 0.02 1.17 0.14 0.00 -0.13 0.00 0.00 55.73 56.93 3dob s ARG 456 Cb -0.14 -3.31 -0.21 0.00 -1.56 0.00 0.00 34.95 29.72 3dob s ARG 456 CO 0.01 0.42 0.24 1.28 -0.81 0.00 0.00 175.30 176.45 3dob n LEU 457 N 2.17 0.00 0.00 -0.88 4.77 0.29 -4.96 117.00 118.39 3dob n LEU 457 Ca -0.03 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.95 3dob n LEU 457 Cb 0.49 0.11 0.00 0.00 -2.33 0.00 0.00 43.42 41.69 3dob n LEU 457 CO 0.47 0.11 0.00 0.61 -1.33 0.00 0.00 177.39 177.25 3dob n GLY 458 N 1.81 1.02 2.94 -0.72 0.00 -1.23 -4.99 105.19 104.02 3dob n GLY 458 Ca -0.09 -0.90 -0.11 0.00 0.00 0.00 0.00 46.02 44.92 3dob n GLY 458 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3dob s THR 459 N -2.00 0.03 0.06 2.61 2.01 -1.26 -1.01 115.64 116.09 3dob s THR 459 Ca 0.00 -0.28 -0.10 0.00 0.31 0.00 0.00 61.69 61.62 3dob s THR 459 Cb 0.00 -0.14 0.00 0.00 0.01 0.00 0.00 72.50 72.38 3dob s THR 459 CO 0.00 -0.15 0.21 0.72 -0.69 0.00 0.00 174.62 174.71 3dob s PHE 460 N -0.45 0.06 0.07 4.92 -0.12 -0.02 -5.00 117.98 117.43 3dob s PHE 460 Ca -0.05 -0.34 0.01 0.00 -0.05 0.00 0.00 56.93 56.49 3dob s PHE 460 Cb -0.03 -0.02 -0.04 0.00 -0.63 0.00 0.00 43.02 42.30 3dob s PHE 460 CO -0.00 -0.49 0.19 -1.21 -0.05 0.00 0.00 175.22 173.66 3dob s GLU 461 N -3.04 3.33 -0.14 1.99 0.41 -1.26 0.26 118.70 120.24 3dob s GLU 461 Ca -0.01 -0.50 -0.00 0.00 -0.41 0.00 0.00 54.97 54.05 3dob s GLU 461 Cb 0.01 -2.97 0.03 0.00 -1.78 0.00 0.00 34.13 29.42 3dob s GLU 461 CO -0.06 0.60 -0.10 -1.17 -0.49 0.00 0.00 175.26 174.04 3dob s LEU 462 N -2.53 1.53 0.00 1.80 2.96 -0.30 -4.85 118.68 117.29 3dob s LEU 462 Ca 0.34 -0.48 0.00 0.00 -0.22 0.00 0.00 54.13 53.76 3dob s LEU 462 Cb -0.13 -1.00 0.00 0.00 0.50 0.00 0.00 46.19 45.56 3dob s LEU 462 CO 0.27 -0.11 0.00 -1.54 -1.32 0.00 0.00 176.35 173.64 3dob n SER 463 N 4.85 1.73 -0.35 3.68 3.41 -1.26 -0.25 113.62 125.42 3dob n SER 463 Ca -0.14 -0.41 -0.05 0.00 -0.26 0.00 0.00 58.87 58.02 3dob n SER 463 Cb 0.49 0.00 -0.02 0.00 -0.26 0.00 0.00 64.21 64.42 3dob n SER 463 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3dob n GLY 464 N 4.31 0.67 3.67 5.00 0.00 -0.86 -4.90 105.19 113.07 3dob n GLY 464 Ca 0.00 -0.28 -0.42 0.00 0.00 0.00 0.00 46.02 45.32 3dob n GLY 464 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3dob s ILE 465 N -1.92 3.59 0.67 -0.61 1.01 -0.22 -4.98 121.20 118.74 3dob s ILE 465 Ca 0.00 0.81 -0.17 0.00 0.00 0.00 0.00 60.65 61.29 3dob s ILE 465 Cb 0.00 -3.52 0.00 0.00 0.01 0.00 0.00 42.46 38.95 3dob s ILE 465 CO 0.00 -0.05 1.25 -2.84 0.00 0.00 0.00 174.94 173.30 3dob s PRO 466 N 3.54 2.45 0.20 2.79 0.02 -1.26 -4.47 135.00 138.27 3dob s PRO 466 Ca 0.70 1.93 -0.32 0.00 0.02 0.00 0.00 61.00 63.33 3dob s PRO 466 Cb -0.33 -1.85 -0.14 0.00 0.02 0.00 0.00 34.50 32.20 3dob s PRO 466 CO 0.28 -1.64 1.42 -2.30 -0.33 0.00 0.00 177.00 174.43 3dob n PRO 467 N -2.16 1.93 -3.48 5.54 -0.02 -1.26 -4.87 135.00 130.68 3dob n PRO 467 Ca 0.15 0.69 -0.10 0.00 -2.02 0.00 0.00 63.50 62.21 3dob n PRO 467 Cb 0.49 -2.36 -0.03 0.00 -0.02 0.00 0.00 33.50 31.59 3dob n PRO 467 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3dob s ALA 468 N 0.20 -1.75 0.60 3.55 0.00 -1.26 -4.94 121.76 118.15 3dob s ALA 468 Ca 0.72 0.91 -0.19 0.00 0.00 0.00 0.00 51.96 53.40 3dob s ALA 468 Cb -0.69 0.45 -0.03 0.00 0.00 0.00 0.00 23.12 22.85 3dob s ALA 468 CO 0.47 -0.66 1.26 -2.14 0.00 0.00 0.00 175.76 174.69 3dob s PRO 469 N -3.02 2.87 0.33 0.00 0.02 -1.26 -0.28 135.00 133.65 3dob s PRO 469 Ca 0.02 1.97 -0.27 0.00 0.02 0.00 0.00 61.00 62.74 3dob s PRO 469 Cb -0.01 -1.96 -0.13 0.00 0.02 0.00 0.00 34.50 32.42 3dob s PRO 469 CO -0.08 -1.32 0.96 2.89 -0.33 0.00 0.00 177.00 179.11 3dob n ARG 470 N -1.59 1.25 -0.99 5.54 1.85 -1.26 -1.84 116.66 119.63 3dob n ARG 470 Ca 0.14 0.44 0.00 0.00 -1.00 0.00 0.00 57.85 57.43 3dob n ARG 470 Cb 0.48 -1.84 0.00 0.00 -1.05 0.00 0.00 32.46 30.06 3dob n ARG 470 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 3dob n GLY 471 N 1.28 0.66 0.13 2.89 0.00 -0.73 -4.91 105.19 104.51 3dob n GLY 471 Ca 0.10 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.90 3dob n GLY 471 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 3dob h VAL 472 N 0.00 0.72 -4.08 1.61 2.07 -1.67 -3.46 116.25 111.45 3dob h VAL 472 Ca 0.00 -2.32 -0.55 0.00 0.82 0.00 0.00 66.70 64.65 3dob h VAL 472 Cb 0.04 2.48 0.15 0.00 -1.52 0.00 0.00 31.29 32.43 3dob h VAL 472 CO 0.00 0.77 0.56 -2.84 0.02 0.00 0.00 177.57 176.08 3dob s PRO 473 N -2.52 2.86 -0.32 1.57 0.02 -1.26 -5.00 135.00 130.36 3dob s PRO 473 Ca -0.23 2.15 -0.01 0.00 0.02 0.00 0.00 61.00 62.93 3dob s PRO 473 Cb 0.06 -2.05 0.07 0.00 0.02 0.00 0.00 34.50 32.60 3dob s PRO 473 CO 0.74 -1.38 0.03 -0.65 -0.33 0.00 0.00 177.00 175.41 3dob s GLN 474 N -3.14 2.21 -0.37 5.54 -0.21 -1.26 -4.23 119.66 118.20 3dob s GLN 474 Ca 0.77 -1.46 -0.09 0.00 0.02 0.00 0.00 55.36 54.61 3dob s GLN 474 Cb -0.39 -3.23 0.04 0.00 1.00 0.00 0.00 33.01 30.43 3dob s GLN 474 CO 0.44 -0.74 0.17 0.42 -2.12 0.00 0.00 175.29 173.45 3dob s ILE 475 N 1.17 4.15 -0.14 1.08 -1.09 0.20 -1.07 121.20 125.50 3dob s ILE 475 Ca -0.01 -1.08 -0.24 0.00 -2.23 0.00 0.00 60.65 57.09 3dob s ILE 475 Cb -0.20 -3.37 -0.02 0.00 -1.58 0.00 0.00 42.46 37.28 3dob s ILE 475 CO -0.03 -0.26 0.78 -1.61 -1.23 0.00 0.00 174.94 172.59 3dob s GLU 476 N 1.46 4.34 -0.18 2.79 2.02 -0.42 0.64 118.70 129.35 3dob s GLU 476 Ca 0.00 0.95 -0.01 0.00 0.02 0.00 0.00 54.97 55.93 3dob s GLU 476 Cb -0.20 -3.53 -0.00 0.00 0.10 0.00 0.00 34.13 30.50 3dob s GLU 476 CO 0.04 -0.19 -0.12 0.08 0.02 0.00 0.00 175.26 175.09 3dob s VAL 477 N 1.68 2.85 -0.15 2.63 1.01 -0.31 -1.31 120.40 126.80 3dob s VAL 477 Ca 0.37 -0.68 -0.00 0.00 0.00 0.00 0.00 61.98 61.67 3dob s VAL 477 Cb -0.17 -2.25 -0.01 0.00 0.00 0.00 0.00 36.38 33.95 3dob s VAL 477 CO 0.15 0.48 -0.13 -0.89 0.00 0.00 0.00 175.10 174.71 3dob s THR 478 N 1.14 2.94 -0.21 3.92 2.01 0.87 -1.90 115.64 124.40 3dob s THR 478 Ca 0.01 -0.69 -0.07 0.00 0.31 0.00 0.00 61.69 61.25 3dob s THR 478 Cb -0.14 -2.25 -0.03 0.00 0.01 0.00 0.00 72.50 70.09 3dob s THR 478 CO -0.04 0.51 0.06 -0.36 -0.69 0.00 0.00 174.62 174.10 3dob s PHE 479 N 0.64 3.15 -0.12 4.92 0.40 -0.35 -0.51 117.98 126.11 3dob s PHE 479 Ca -0.07 -0.18 0.01 0.00 -0.60 0.00 0.00 56.93 56.10 3dob s PHE 479 Cb -0.16 -2.15 0.02 0.00 0.51 0.00 0.00 43.02 41.24 3dob s PHE 479 CO 0.03 -0.10 -0.14 1.21 0.70 0.00 0.00 175.22 176.91 3dob s ASN 480 N 0.98 2.50 -0.16 1.36 2.47 -0.28 -1.47 114.94 120.35 3dob s ASN 480 Ca 0.04 -0.44 -0.02 0.00 0.42 0.00 0.00 52.86 52.85 3dob s ASN 480 Cb -0.14 -1.10 -0.02 0.00 -1.45 0.00 0.00 41.25 38.54 3dob s ASN 480 CO 0.03 -0.02 -0.07 -0.63 -3.72 0.00 0.00 177.10 172.69 3dob s ILE 481 N 1.19 3.47 0.78 -5.21 1.01 0.10 -1.03 121.20 121.51 3dob s ILE 481 Ca -0.02 -0.50 -0.10 0.00 0.00 0.00 0.00 60.65 60.03 3dob s ILE 481 Cb -0.14 -2.51 0.17 0.00 0.01 0.00 0.00 42.46 39.99 3dob s ILE 481 CO -0.05 0.49 1.06 -0.90 0.00 0.00 0.00 174.94 175.54 3dob n ASP 482 N 3.78 0.46 0.29 3.58 5.68 -0.54 -1.35 116.55 128.46 3dob n ASP 482 Ca -0.18 -1.62 0.17 0.00 -0.50 0.00 0.00 54.79 52.67 3dob n ASP 482 Cb 0.52 -0.77 0.86 0.00 -1.14 0.00 0.00 41.12 40.59 3dob n ASP 482 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3dob h ALA 483 N -1.40 1.11 -0.07 2.12 0.00 -1.91 -1.56 119.26 117.56 3dob h ALA 483 Ca -0.34 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.52 3dob h ALA 483 Cb 1.04 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.82 3dob h ALA 483 CO 0.28 0.06 0.00 0.09 0.00 0.00 0.00 179.25 179.68 3dob n ASN 484 N -3.31 1.31 0.00 0.00 3.02 -1.26 -4.86 115.26 110.16 3dob n ASN 484 Ca -0.01 -1.52 0.00 0.00 -0.03 0.00 0.00 54.58 53.02 3dob n ASN 484 Cb 0.21 -0.04 0.00 0.00 -0.61 0.00 0.00 39.78 39.35 3dob n ASN 484 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3dob n GLY 485 N 1.12 0.71 3.71 7.41 0.00 -0.59 -4.82 105.19 112.73 3dob n GLY 485 Ca 0.18 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.78 3dob n GLY 485 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3dob s ILE 486 N -2.51 4.26 -0.23 -0.61 1.01 -1.26 -4.40 121.20 117.46 3dob s ILE 486 Ca 0.00 1.65 -0.08 0.00 0.00 0.00 0.00 60.65 62.23 3dob s ILE 486 Cb 0.00 -4.06 -0.04 0.00 0.01 0.00 0.00 42.46 38.38 3dob s ILE 486 CO 0.00 0.15 0.08 -0.22 0.00 0.00 0.00 174.94 174.95 3dob s LEU 487 N 0.89 3.65 -0.18 2.97 2.96 -0.73 -1.47 118.68 126.77 3dob s LEU 487 Ca 0.56 -0.07 -0.03 0.00 -0.22 0.00 0.00 54.13 54.36 3dob s LEU 487 Cb -0.27 -1.96 -0.02 0.00 0.50 0.00 0.00 46.19 44.44 3dob s LEU 487 CO 0.29 0.04 -0.05 0.20 -1.32 0.00 0.00 176.35 175.52 3dob s ASN 488 N 1.15 4.46 -0.17 3.68 0.01 -0.20 0.65 114.94 124.52 3dob s ASN 488 Ca 0.05 -0.28 -0.02 0.00 -0.71 0.00 0.00 52.86 51.90 3dob s ASN 488 Cb -0.14 -1.74 -0.02 0.00 0.41 0.00 0.00 41.25 39.76 3dob s ASN 488 CO 0.04 0.08 -0.07 -0.69 -1.51 0.00 0.00 177.10 174.95 3dob s VAL 489 N 0.87 3.40 0.03 1.60 1.01 -0.48 -1.13 120.40 125.70 3dob s VAL 489 Ca -0.01 -0.52 0.08 0.00 0.00 0.00 0.00 61.98 61.53 3dob s VAL 489 Cb -0.15 -2.49 -0.02 0.00 0.00 0.00 0.00 36.38 33.72 3dob s VAL 489 CO 0.01 0.48 -0.23 -0.44 0.00 0.00 0.00 175.10 174.92 3dob s SER 490 N 0.76 2.75 -0.01 3.32 0.01 0.33 -1.06 113.70 119.80 3dob s SER 490 Ca -0.03 -0.52 0.05 0.00 1.31 0.00 0.00 55.95 56.76 3dob s SER 490 Cb -0.15 -0.25 -0.01 0.00 0.21 0.00 0.00 66.02 65.82 3dob s SER 490 CO 0.02 0.22 -0.16 0.00 0.41 0.00 0.00 173.24 173.72 3dob s ALA 491 N -0.74 1.34 -0.05 1.44 0.00 -0.04 -0.09 121.76 123.61 3dob s ALA 491 Ca 0.09 -0.72 -0.04 0.00 0.00 0.00 0.00 51.96 51.29 3dob s ALA 491 Cb -0.09 -0.33 0.02 0.00 0.00 0.00 0.00 23.12 22.72 3dob s ALA 491 CO 0.01 0.32 0.13 -1.83 0.00 0.00 0.00 175.76 174.40 3dob s GLU 492 N -0.47 0.14 -0.21 0.00 -1.05 -0.43 -1.43 118.70 115.26 3dob s GLU 492 Ca 0.06 0.22 -0.29 0.00 -0.15 0.00 0.00 54.97 54.81 3dob s GLU 492 Cb -0.06 0.03 -0.00 0.00 -0.44 0.00 0.00 34.13 33.65 3dob s GLU 492 CO -0.00 -0.04 1.16 0.34 0.95 0.00 0.00 175.26 177.66 3dob s ASP 493 N 0.27 7.00 0.59 0.83 -1.08 -0.35 -1.30 116.67 122.63 3dob s ASP 493 Ca -0.02 1.51 0.33 0.00 -0.52 0.00 0.00 52.55 53.85 3dob s ASP 493 Cb -0.03 -2.54 1.88 0.00 -1.46 0.00 0.00 42.92 40.77 3dob s ASP 493 CO -0.01 -0.74 2.24 0.11 0.52 0.00 0.00 175.17 177.29 3dob h LYS 494 N 7.93 0.00 0.02 4.34 1.57 -1.44 0.10 116.57 129.09 3dob h LYS 494 Ca -0.23 0.00 -0.29 0.00 -1.87 0.00 0.00 60.65 58.26 3dob h LYS 494 Cb 1.08 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 33.36 3dob h LYS 494 CO 0.98 0.02 -1.58 0.45 -0.57 0.00 0.00 179.45 178.75 3dob n SER 495 N -3.62 1.92 0.00 0.86 2.88 -1.26 -4.29 113.62 110.11 3dob n SER 495 Ca -0.03 0.36 0.12 0.00 -1.33 0.00 0.00 58.87 57.99 3dob n SER 495 Cb 0.11 -0.92 0.20 0.00 -0.75 0.00 0.00 64.21 62.85 3dob n SER 495 CO 0.00 0.00 0.00 0.35 -1.23 0.00 0.00 175.04 174.16 3dob n THR 496 N -4.21 0.02 -0.85 2.46 -2.24 -1.21 -4.94 114.28 103.30 3dob n THR 496 Ca -0.35 -0.02 0.00 0.00 -2.27 0.00 0.00 64.05 61.41 3dob n THR 496 Cb 0.78 0.32 0.00 0.00 -2.10 0.00 0.00 70.33 69.33 3dob n THR 496 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3dob n GLY 497 N 1.49 0.19 3.74 3.38 0.00 0.36 -4.97 105.19 109.37 3dob n GLY 497 Ca 0.05 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.65 3dob n GLY 497 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3dob s LYS 498 N -1.16 4.12 0.04 1.61 1.02 -1.25 -4.71 119.74 119.42 3dob s LYS 498 Ca 0.00 2.59 0.03 0.00 0.02 0.00 0.00 55.97 58.61 3dob s LYS 498 Cb 0.00 -3.04 -0.02 0.00 -0.52 0.00 0.00 37.83 34.24 3dob s LYS 498 CO 0.00 -0.68 -0.10 -1.12 -0.92 0.00 0.00 175.35 172.53 3dob s SER 499 N 0.76 1.18 0.09 2.83 0.01 -1.26 -1.21 113.70 116.10 3dob s SER 499 Ca 0.68 -0.49 -0.17 0.00 1.31 0.00 0.00 55.95 57.28 3dob s SER 499 Cb -0.49 -0.02 0.03 0.00 0.21 0.00 0.00 66.02 65.75 3dob s SER 499 CO 0.42 -0.09 0.40 0.21 0.41 0.00 0.00 173.24 174.58 3dob s ASN 500 N -1.35 -0.24 -0.06 2.44 3.84 -0.51 -5.01 114.94 114.04 3dob s ASN 500 Ca -0.04 -0.21 -0.15 0.00 0.21 0.00 0.00 52.86 52.67 3dob s ASN 500 Cb -0.09 0.45 0.03 0.00 -0.55 0.00 0.00 41.25 41.09 3dob s ASN 500 CO 0.01 -0.77 0.36 -0.60 -2.79 0.00 0.00 177.10 173.30 3dob s ARG 501 N -3.27 0.60 0.09 0.43 3.52 -1.26 -0.86 118.95 118.20 3dob s ARG 501 Ca -0.00 0.10 0.08 0.00 -0.13 0.00 0.00 55.73 55.78 3dob s ARG 501 Cb 0.01 0.28 -0.03 0.00 -1.56 0.00 0.00 34.95 33.64 3dob s ARG 501 CO -0.08 -0.14 -0.21 0.96 -0.81 0.00 0.00 175.30 175.02 3dob s ILE 502 N -0.74 1.69 -0.22 4.11 -4.36 -0.22 -4.99 121.20 116.46 3dob s ILE 502 Ca -0.08 -1.48 -0.09 0.00 -0.26 0.00 0.00 60.65 58.74 3dob s ILE 502 Cb -0.04 -1.53 -0.05 0.00 1.25 0.00 0.00 42.46 42.10 3dob s ILE 502 CO 0.03 -0.02 0.12 -0.89 0.24 0.00 0.00 174.94 174.43 3dob s THR 503 N -1.10 5.11 -0.21 8.37 2.01 -1.26 -1.39 115.64 127.18 3dob s THR 503 Ca 0.06 0.09 -0.05 0.00 0.31 0.00 0.00 61.69 62.10 3dob s THR 503 Cb -0.10 -3.36 -0.03 0.00 0.01 0.00 0.00 72.50 69.03 3dob s THR 503 CO 0.04 0.38 0.01 -0.63 -0.69 0.00 0.00 174.62 173.73 3dob s ILE 504 N 0.86 4.03 0.42 1.82 1.01 0.21 -5.01 121.20 124.54 3dob s ILE 504 Ca 0.06 -0.28 -0.22 0.00 0.00 0.00 0.00 60.65 60.21 3dob s ILE 504 Cb -0.13 -2.83 -0.11 0.00 0.01 0.00 0.00 42.46 39.40 3dob s ILE 504 CO 0.03 0.42 0.95 -1.10 0.00 0.00 0.00 174.94 175.23 3dob s GLN 505 N 1.05 4.28 -0.54 2.79 -1.52 -1.26 -1.77 119.66 122.68 3dob s GLN 505 Ca 0.02 1.15 -0.26 0.00 -1.95 0.00 0.00 55.36 54.32 3dob s GLN 505 Cb -0.14 -2.26 0.03 0.00 -0.22 0.00 0.00 33.01 30.42 3dob s GLN 505 CO 0.02 0.01 1.06 1.21 -0.25 0.00 0.00 175.29 177.35 3dob s ASN 506 N -2.10 6.43 -0.76 5.90 3.04 -1.26 -4.89 114.94 121.30 3dob s ASN 506 Ca 0.60 -0.02 0.02 0.00 0.04 0.00 0.00 52.86 53.50 3dob s ASN 506 Cb -0.10 -2.50 0.35 0.00 -1.54 0.00 0.00 41.25 37.46 3dob s ASN 506 CO 0.14 -1.31 1.47 -0.62 -3.04 0.00 0.00 177.10 173.74 3dob n GLU 507 N 7.88 3.92 -1.68 0.43 1.02 -1.26 -5.02 120.64 125.93 3dob n GLU 507 Ca 0.06 -4.49 -0.65 0.00 -0.02 0.00 0.00 57.16 52.06 3dob n GLU 507 Cb 0.48 -2.32 -0.09 0.00 -0.02 0.00 0.00 31.44 29.49 3dob n GLU 507 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 3dob n LYS 508 N -0.28 0.00 0.00 3.49 5.02 -1.26 -0.73 118.16 124.40 3dob n LYS 508 Ca 0.42 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.71 3dob n LYS 508 Cb 0.36 -1.48 0.00 0.00 -0.02 0.00 0.00 35.03 33.90 3dob n LYS 508 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3dob n GLY 509 N 3.47 1.04 0.16 0.72 0.00 -1.26 -4.99 105.19 104.33 3dob n GLY 509 Ca 0.28 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.17 3dob n GLY 509 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 3dob h ARG 510 N 0.04 -0.31 -4.89 1.61 9.65 -1.37 -3.41 114.38 115.71 3dob h ARG 510 Ca 0.00 0.02 -0.67 0.00 -1.10 0.00 0.00 59.98 58.23 3dob h ARG 510 Cb 0.00 0.07 -0.31 0.00 -1.39 0.00 0.00 29.97 28.34 3dob h ARG 510 CO 0.00 0.03 -0.73 -1.17 2.80 0.00 0.00 179.97 180.90 3dob s LEU 511 N -9.48 3.29 0.67 3.80 0.20 -1.26 -5.10 118.68 110.80 3dob s LEU 511 Ca -0.14 -0.86 -0.08 0.00 0.69 0.00 0.00 54.13 53.74 3dob s LEU 511 Cb 0.02 -1.69 0.03 0.00 -0.43 0.00 0.00 46.19 44.12 3dob s LEU 511 CO 0.57 -0.14 1.00 0.42 -0.29 0.00 0.00 176.35 177.91 3dob s THR 512 N 1.34 3.01 0.49 3.68 -4.23 -1.26 -4.93 115.64 113.74 3dob s THR 512 Ca 0.00 -0.01 0.13 0.00 -1.18 0.00 0.00 61.69 60.64 3dob s THR 512 Cb -0.17 -3.26 0.27 0.00 1.34 0.00 0.00 72.50 70.68 3dob s THR 512 CO -0.03 -0.29 2.12 -0.61 -0.54 0.00 0.00 174.62 175.26 3dob h GLN 513 N -0.48 0.16 -0.31 3.99 5.75 -1.99 -1.87 115.11 120.37 3dob h GLN 513 Ca -0.45 -0.01 -0.16 0.00 -0.15 0.00 0.00 58.65 57.88 3dob h GLN 513 Cb 1.28 -0.04 -0.00 0.00 1.07 0.00 0.00 27.48 29.79 3dob h GLN 513 CO 0.62 0.11 -0.43 0.77 -2.65 0.00 0.00 178.83 177.24 3dob h SER 514 N 0.17 0.92 -0.41 -0.69 0.02 -1.98 0.84 113.55 112.41 3dob h SER 514 Ca 0.04 -0.50 0.08 0.00 -0.84 0.00 0.00 61.79 60.57 3dob h SER 514 Cb -0.01 -0.26 -0.08 0.00 0.14 0.00 0.00 62.40 62.19 3dob h SER 514 CO -0.01 1.24 -0.11 0.44 -1.14 0.00 0.00 176.83 177.25 3dob h ASP 515 N 0.62 -0.42 -0.53 3.07 3.32 -1.87 -1.96 116.42 118.66 3dob h ASP 515 Ca 0.03 0.13 -0.04 0.00 0.02 0.00 0.00 57.03 57.17 3dob h ASP 515 Cb 1.03 0.27 -0.02 0.00 0.22 0.00 0.00 39.33 40.83 3dob h ASP 515 CO 0.10 -0.15 0.17 0.40 -1.72 0.00 0.00 179.24 178.05 3dob h ILE 516 N -0.02 1.23 -0.78 0.35 2.04 -0.92 -0.90 117.51 118.51 3dob h ILE 516 Ca 0.20 -0.76 0.01 0.00 1.00 0.00 0.00 64.86 65.31 3dob h ILE 516 Cb 0.32 0.73 -0.04 0.00 -0.74 0.00 0.00 36.82 37.09 3dob h ILE 516 CO -0.43 0.28 0.52 0.44 0.00 0.00 0.00 178.15 178.96 3dob h ASP 517 N 0.72 0.90 -0.38 1.72 3.32 -0.77 -0.27 116.42 121.66 3dob h ASP 517 Ca 0.17 -0.02 -0.03 0.00 0.02 0.00 0.00 57.03 57.17 3dob h ASP 517 Cb 0.26 -0.22 -0.02 0.00 0.22 0.00 0.00 39.33 39.57 3dob h ASP 517 CO -0.01 0.65 0.14 -0.09 -1.72 0.00 0.00 179.24 178.21 3dob h ARG 518 N 1.06 0.58 -0.63 3.56 2.43 -0.88 -1.86 114.38 118.63 3dob h ARG 518 Ca 0.29 -0.11 -0.04 0.00 -0.81 0.00 0.00 59.98 59.30 3dob h ARG 518 Cb -0.12 -0.09 -0.03 0.00 -0.42 0.00 0.00 29.97 29.32 3dob h ARG 518 CO -0.06 0.57 0.23 0.52 -1.51 0.00 0.00 179.97 179.71 3dob h MET 519 N 0.47 0.96 -0.22 0.20 2.86 -0.61 -0.12 114.93 118.47 3dob h MET 519 Ca 0.12 -0.19 -0.13 0.00 -2.06 0.00 0.00 59.70 57.44 3dob h MET 519 Cb 0.22 -0.15 -0.01 0.00 0.06 0.00 0.00 31.60 31.72 3dob h MET 519 CO -0.01 0.83 -0.41 -0.39 1.06 0.00 0.00 176.91 178.00 3dob h VAL 520 N 0.90 1.30 -0.32 -2.22 -1.51 -1.02 -2.16 116.25 111.23 3dob h VAL 520 Ca 0.21 -1.57 -0.01 0.00 -1.23 0.00 0.00 66.70 64.10 3dob h VAL 520 Cb 0.25 1.58 -0.01 0.00 -2.13 0.00 0.00 31.29 30.97 3dob h VAL 520 CO -0.01 0.49 0.16 -0.74 -1.23 0.00 0.00 177.57 176.24 3dob h HIS 521 N 0.42 0.45 -0.70 5.19 -0.00 -1.20 -2.52 115.15 116.79 3dob h HIS 521 Ca 0.04 -0.02 -0.01 0.00 -0.00 0.00 0.00 60.37 60.37 3dob h HIS 521 Cb 0.89 -0.14 -0.03 0.00 -0.00 0.00 0.00 27.41 28.13 3dob h HIS 521 CO 0.03 0.38 0.38 0.93 -0.00 0.00 0.00 177.93 179.65 3dob h GLU 522 N 0.38 0.97 -0.75 5.26 5.08 -0.95 -0.52 114.58 124.06 3dob h GLU 522 Ca 0.11 -0.11 -0.01 0.00 -1.00 0.00 0.00 59.36 58.36 3dob h GLU 522 Cb 0.09 -0.19 -0.04 0.00 0.50 0.00 0.00 28.75 29.11 3dob h GLU 522 CO -0.02 0.72 0.45 0.00 -1.00 0.00 0.00 179.01 179.16 3dob h ALA 523 N 1.44 0.95 0.10 3.43 0.00 -1.31 0.39 119.26 124.26 3dob h ALA 523 Ca 0.25 -0.09 -0.00 0.00 0.00 0.00 0.00 54.91 55.06 3dob h ALA 523 Cb 0.03 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 17.53 3dob h ALA 523 CO -0.04 0.42 -0.05 -0.22 0.00 0.00 0.00 179.25 179.37 3dob h LYS 524 N 1.02 -0.13 -0.79 0.00 1.63 -1.12 -1.34 116.57 115.84 3dob h LYS 524 Ca 0.27 0.01 0.15 0.00 -0.85 0.00 0.00 60.65 60.22 3dob h LYS 524 Cb -0.03 0.03 -0.10 0.00 -0.60 0.00 0.00 32.23 31.54 3dob h LYS 524 CO -0.05 -0.01 0.36 1.96 -3.45 0.00 0.00 179.45 178.26 3dob h GLN 525 N -0.22 0.50 -0.60 1.90 4.20 -0.73 -2.74 115.11 117.43 3dob h GLN 525 Ca -0.01 -0.03 -0.01 0.00 0.06 0.00 0.00 58.65 58.65 3dob h GLN 525 Cb 0.18 -0.11 -0.01 0.00 0.30 0.00 0.00 27.48 27.84 3dob h GLN 525 CO 0.02 0.33 0.02 1.19 -0.67 0.00 0.00 178.83 179.72 3dob n PHE 526 N -4.95 2.09 -0.18 2.96 3.72 0.10 -4.64 117.46 116.54 3dob n PHE 526 Ca 0.16 -0.74 -0.09 0.00 -0.05 0.00 0.00 57.45 56.72 3dob n PHE 526 Cb 0.43 -0.52 0.01 0.00 -0.94 0.00 0.00 39.48 38.46 3dob n PHE 526 CO 0.00 0.00 0.00 1.05 -0.05 0.00 0.00 176.76 177.76 3dob h GLU 527 N 3.86 0.91 -0.14 -1.08 4.11 -0.92 0.61 114.58 121.93 3dob h GLU 527 Ca 0.02 -0.27 -0.00 0.00 0.07 0.00 0.00 59.36 59.17 3dob h GLU 527 Cb 1.99 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 31.14 3dob h GLU 527 CO 0.50 0.91 0.08 -0.22 0.07 0.00 0.00 179.01 180.35 3dob h LYS 528 N 0.78 0.19 -0.03 1.06 3.64 -1.84 0.58 116.57 120.96 3dob h LYS 528 Ca 0.15 -0.02 0.03 0.00 -1.27 0.00 0.00 60.65 59.54 3dob h LYS 528 Cb 0.48 -0.04 -0.04 0.00 -0.41 0.00 0.00 32.23 32.21 3dob h LYS 528 CO 0.02 0.21 -0.22 0.93 -2.27 0.00 0.00 179.45 178.12 3dob h GLU 529 N 0.13 -0.32 -0.28 1.90 3.07 -1.88 -2.34 114.58 114.86 3dob h GLU 529 Ca 0.05 0.02 0.08 0.00 -0.50 0.00 0.00 59.36 59.01 3dob h GLU 529 Cb 0.07 0.07 -0.01 0.00 -0.84 0.00 0.00 28.75 28.04 3dob h GLU 529 CO -0.01 -0.21 0.21 -0.44 -1.40 0.00 0.00 179.01 177.16 3dob h ASP 530 N -0.33 0.00 1.07 1.42 3.32 -0.73 -2.27 116.42 118.91 3dob h ASP 530 Ca 0.07 0.00 -0.15 0.00 0.02 0.00 0.00 57.03 56.97 3dob h ASP 530 Cb 0.42 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 39.95 3dob h ASP 530 CO -0.22 0.00 -0.71 1.23 -1.72 0.00 0.00 179.24 177.82 3dob h GLY 531 N 0.00 0.00 1.09 2.75 0.00 -0.38 -1.83 103.07 104.70 3dob h GLY 531 Ca 0.13 0.00 -0.24 0.00 0.00 0.00 0.00 47.33 47.22 3dob h GLY 531 CO -0.00 0.00 -0.95 0.83 0.00 0.00 0.00 176.54 176.42 3dob h GLU 532 N 0.00 0.62 0.00 4.80 5.08 -0.98 -3.29 114.58 120.80 3dob h GLU 532 Ca -0.01 -0.68 0.00 0.00 -1.00 0.00 0.00 59.36 57.67 3dob h GLU 532 Cb 1.44 0.20 0.00 0.00 0.50 0.00 0.00 28.75 30.89 3dob h GLU 532 CO 0.09 1.28 0.00 0.94 -1.00 0.00 0.00 179.01 180.32 3dob n GLN 533 N -3.95 0.19 -0.02 2.33 7.27 -0.90 -3.33 117.38 118.97 3dob n GLN 533 Ca -0.11 0.23 -0.16 0.00 0.07 0.00 0.00 57.00 57.03 3dob n GLN 533 Cb 0.84 -1.76 -0.09 0.00 2.41 0.00 0.00 30.24 31.64 3dob n GLN 533 CO 0.00 0.00 0.00 -0.09 0.07 0.00 0.00 177.06 177.04 3dob h ARG 534 N 0.00 0.48 0.00 3.69 2.43 -1.41 -3.31 114.38 116.25 3dob h ARG 534 Ca 0.00 -0.41 -0.04 0.00 -0.81 0.00 0.00 59.98 58.72 3dob h ARG 534 Cb 0.58 0.09 -0.01 0.00 -0.42 0.00 0.00 29.97 30.22 3dob h ARG 534 CO 0.00 1.05 -0.20 1.05 -1.51 0.00 0.00 179.97 180.35 3dob h GLU 535 N 0.04 0.00 0.00 0.20 4.11 -1.62 -3.24 114.58 114.06 3dob h GLU 535 Ca -0.04 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.39 3dob h GLU 535 Cb 1.17 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.42 3dob h GLU 535 CO 0.10 0.20 0.00 0.54 0.07 0.00 0.00 179.01 179.93 3dob n ARG 536 N -3.30 0.12 0.00 1.06 1.74 -1.22 -5.15 116.66 109.91 3dob n ARG 536 Ca 0.01 0.21 0.00 0.00 -0.77 0.00 0.00 57.85 57.30 3dob n ARG 536 Cb 0.46 -1.50 0.00 0.00 -1.02 0.00 0.00 32.46 30.40 3dob n ARG 536 CO 0.00 0.00 0.00 1.33 -1.52 0.00 0.00 177.63 177.44 3dob n VAL 537 N -1.34 0.00 -3.98 1.55 0.24 -1.23 -5.14 118.33 108.44 3dob n VAL 537 Ca 0.05 0.00 -0.10 0.00 -2.04 0.00 0.00 64.34 62.25 3dob n VAL 537 Cb 0.10 0.00 -0.06 0.00 -1.47 0.00 0.00 33.84 32.41 3dob n VAL 537 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3dob s ARG 540 N 4.09 1.36 -2.06 7.34 1.70 -1.26 -5.10 118.95 125.02 3dob s ARG 540 Ca 0.00 -1.22 0.00 0.00 -0.47 0.00 0.00 55.73 54.04 3dob s ARG 540 Cb 0.00 0.42 0.00 0.00 -0.57 0.00 0.00 34.95 34.80 3dob s ARG 540 CO 0.00 -0.53 0.00 0.09 -1.08 0.00 0.00 175.30 173.78 3dob n ASN 541 N -0.31 -5.61 -4.83 -2.89 4.13 -1.26 -4.95 115.26 99.54 3dob n ASN 541 Ca -0.04 0.34 -0.37 0.00 1.68 0.00 0.00 54.58 56.19 3dob n ASN 541 Cb 0.63 -4.84 -0.06 0.00 -1.54 0.00 0.00 39.78 33.97 3dob n ASN 541 CO 0.00 0.00 0.00 -1.10 0.28 0.00 0.00 177.26 176.44 3dob s GLN 542 N -4.16 3.79 -0.02 3.52 -0.21 -1.26 -0.84 119.66 120.49 3dob s GLN 542 Ca 0.00 0.12 0.07 0.00 0.02 0.00 0.00 55.36 55.57 3dob s GLN 542 Cb 0.00 -3.25 -0.02 0.00 1.00 0.00 0.00 33.01 30.74 3dob s GLN 542 CO 0.00 0.63 -0.25 -0.51 -2.12 0.00 0.00 175.29 173.05 3dob s LEU 543 N -0.74 2.05 0.00 2.90 1.43 0.84 -0.52 118.68 124.64 3dob s LEU 543 Ca 0.18 -0.45 0.29 0.00 -1.03 0.00 0.00 54.13 53.12 3dob s LEU 543 Cb -0.14 -1.28 1.25 0.00 0.03 0.00 0.00 46.19 46.06 3dob s LEU 543 CO 0.07 0.30 1.86 -0.62 0.23 0.00 0.00 176.35 178.19