#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2gwl h LYS 393 N 0.00 0.00 -0.11 4.33 3.64 -1.99 -1.54 116.57 120.90 2gwl h LYS 393 Ca 0.00 0.00 -0.11 0.00 -1.27 0.00 0.00 60.65 59.27 2gwl h LYS 393 Cb 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.82 2gwl h LYS 393 CO 0.00 0.01 -0.36 1.96 -2.27 0.00 0.00 179.45 178.79 2gwl h GLN 394 N 0.00 0.44 -0.77 1.90 7.50 -1.98 -0.53 115.11 121.68 2gwl h GLN 394 Ca -0.00 -0.33 -0.02 0.00 0.50 0.00 0.00 58.65 58.80 2gwl h GLN 394 Cb 0.02 0.06 -0.04 0.00 0.05 0.00 0.00 27.48 27.58 2gwl h GLN 394 CO 0.00 0.95 0.40 0.82 -1.50 0.00 0.00 178.83 179.50 2gwl h ILE 395 N 0.02 1.23 -0.83 2.54 1.08 -1.71 -1.73 117.51 118.11 2gwl h ILE 395 Ca -0.01 -0.60 -0.03 0.00 -0.39 0.00 0.00 64.86 63.83 2gwl h ILE 395 Cb 0.99 0.22 -0.04 0.00 -3.07 0.00 0.00 36.82 34.92 2gwl h ILE 395 CO 0.08 0.26 0.41 1.56 -0.69 0.00 0.00 178.15 179.78 2gwl h GLN 396 N 1.07 1.18 -0.54 2.37 4.20 -1.17 0.25 115.11 122.48 2gwl h GLN 396 Ca 0.27 -0.16 -0.06 0.00 0.06 0.00 0.00 58.65 58.76 2gwl h GLN 396 Cb 0.05 -0.22 -0.02 0.00 0.30 0.00 0.00 27.48 27.59 2gwl h GLN 396 CO -0.04 0.89 0.08 0.00 -0.67 0.00 0.00 178.83 179.09 2gwl h ALA 397 N 1.28 1.12 -0.44 3.87 0.00 -0.74 -1.83 119.26 122.52 2gwl h ALA 397 Ca 0.29 -0.24 -0.14 0.00 0.00 0.00 0.00 54.91 54.82 2gwl h ALA 397 Cb 0.09 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 2gwl h ALA 397 CO -0.04 0.58 -0.27 1.25 0.00 0.00 0.00 179.25 180.76 2gwl h LEU 398 N 0.82 1.00 -0.57 0.00 5.85 -0.82 0.39 115.31 121.98 2gwl h LEU 398 Ca 0.17 -0.42 0.05 0.00 0.84 0.00 0.00 57.88 58.51 2gwl h LEU 398 Cb 0.37 -0.28 -0.05 0.00 0.37 0.00 0.00 40.66 41.08 2gwl h LEU 398 CO 0.01 1.21 0.31 0.03 -0.34 0.00 0.00 178.44 179.65 2gwl h ARG 399 N 0.80 0.57 -0.46 1.25 3.08 -0.70 -1.23 114.38 117.69 2gwl h ARG 399 Ca 0.09 -0.03 -0.05 0.00 0.07 0.00 0.00 59.98 60.06 2gwl h ARG 399 Cb 0.86 -0.13 -0.02 0.00 0.08 0.00 0.00 29.97 30.76 2gwl h ARG 399 CO 0.08 0.38 0.09 -0.92 -1.07 0.00 0.00 179.97 178.52 2gwl h TYR 400 N 0.59 0.79 -0.45 3.04 3.20 -0.96 -1.61 116.97 121.57 2gwl h TYR 400 Ca 0.25 -0.10 0.09 0.00 3.14 0.00 0.00 58.73 62.10 2gwl h TYR 400 Cb 0.13 -0.22 -0.10 0.00 1.54 0.00 0.00 36.73 38.08 2gwl h TYR 400 CO -0.09 0.74 -0.25 -0.92 -1.64 0.00 0.00 178.16 176.00 2gwl h TYR 401 N 0.62 -0.66 -0.56 -3.82 3.20 -0.60 0.73 116.97 115.88 2gwl h TYR 401 Ca 0.14 0.05 0.05 0.00 3.14 0.00 0.00 58.73 62.11 2gwl h TYR 401 Cb 0.36 0.36 -0.05 0.00 1.54 0.00 0.00 36.73 38.94 2gwl h TYR 401 CO 0.02 -0.33 0.30 1.03 -1.64 0.00 0.00 178.16 177.54 2gwl h SER 402 N -0.16 0.43 -0.13 -2.11 0.87 -1.05 0.54 113.55 111.94 2gwl h SER 402 Ca 0.21 0.03 -0.11 0.00 -1.23 0.00 0.00 61.79 60.68 2gwl h SER 402 Cb 0.49 -0.06 0.00 0.00 -0.44 0.00 0.00 62.40 62.40 2gwl h SER 402 CO -0.55 0.29 -0.36 0.00 -0.53 0.00 0.00 176.83 175.68 2gwl h ALA 403 N 1.29 0.22 0.00 6.23 0.00 -0.81 -3.43 119.26 122.76 2gwl h ALA 403 Ca 0.25 -0.44 0.00 0.00 0.00 0.00 0.00 54.91 54.71 2gwl h ALA 403 Cb 0.14 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.90 2gwl h ALA 403 CO -0.16 0.30 0.00 0.00 0.00 0.00 0.00 179.25 179.39 2gwl n GLN 404 N -4.34 0.00 0.27 0.00 10.64 0.06 -4.96 117.38 119.05 2gwl n GLN 404 Ca -0.07 0.00 0.13 0.00 -1.83 0.00 0.00 57.00 55.23 2gwl n GLN 404 Cb 0.52 -0.22 0.73 0.00 -0.86 0.00 0.00 30.24 30.41 2gwl n GLN 404 CO 0.00 0.00 0.00 0.78 -1.83 0.00 0.00 177.06 176.01 2gwl h GLY 405 N 0.00 0.00 1.88 2.61 0.00 -0.81 -2.56 103.07 104.20 2gwl h GLY 405 Ca 0.00 0.00 0.01 0.00 0.00 0.00 0.00 47.33 47.34 2gwl h GLY 405 CO 0.00 0.00 0.05 0.10 0.00 0.00 0.00 176.54 176.69 2gwl h TYR 406 N 0.00 0.00 0.00 5.60 -0.00 -1.14 -1.42 116.97 120.01 2gwl h TYR 406 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 58.73 58.73 2gwl h TYR 406 Cb 0.34 0.00 0.00 0.00 0.00 0.00 0.00 36.73 37.07 2gwl h TYR 406 CO 0.00 0.00 0.00 -1.13 -0.00 0.00 0.00 178.16 177.03 2gwl n SER 407 N -3.55 0.27 -0.03 0.10 3.41 -0.96 -2.86 113.62 109.99 2gwl n SER 407 Ca -0.02 0.54 -0.04 0.00 -0.26 0.00 0.00 58.87 59.09 2gwl n SER 407 Cb 0.13 -0.61 -0.03 0.00 -0.26 0.00 0.00 64.21 63.45 2gwl n SER 407 CO 0.00 0.00 0.00 0.52 -0.16 0.00 0.00 175.04 175.40 2gwl n VAL 408 N -1.77 0.33 -0.08 -3.33 0.31 -0.62 -4.78 118.33 108.39 2gwl n VAL 408 Ca 0.05 -0.12 -0.14 0.00 -0.01 0.00 0.00 64.34 64.11 2gwl n VAL 408 Cb 0.28 -0.78 -0.03 0.00 -0.91 0.00 0.00 33.84 32.40 2gwl n VAL 408 CO 0.00 0.00 0.00 0.40 -1.32 0.00 0.00 176.83 175.91 2gwl h ILE 409 N -0.02 1.27 -0.34 2.52 1.08 -1.36 -1.93 117.51 118.74 2gwl h ILE 409 Ca -0.13 -1.71 -0.11 0.00 -0.39 0.00 0.00 64.86 62.52 2gwl h ILE 409 Cb 1.19 1.59 -0.01 0.00 -3.07 0.00 0.00 36.82 36.53 2gwl h ILE 409 CO -0.03 0.56 -0.22 0.78 -0.69 0.00 0.00 178.15 178.55 2gwl h ASN 410 N 0.68 0.77 -0.46 1.72 2.35 -1.78 -0.62 115.58 118.24 2gwl h ASN 410 Ca 0.02 -0.43 -0.02 0.00 -0.55 0.00 0.00 56.30 55.32 2gwl h ASN 410 Cb 1.13 -0.22 -0.02 0.00 0.05 0.00 0.00 38.32 39.26 2gwl h ASN 410 CO 0.12 1.04 0.21 0.11 -1.65 0.00 0.00 177.43 177.25 2gwl h LYS 411 N 0.52 0.68 0.23 0.81 1.57 -1.80 -0.96 116.57 117.61 2gwl h LYS 411 Ca 0.07 -0.11 0.01 0.00 -1.87 0.00 0.00 60.65 58.74 2gwl h LYS 411 Cb 0.77 -0.12 -0.03 0.00 0.08 0.00 0.00 32.23 32.94 2gwl h LYS 411 CO 0.06 0.59 -0.28 -0.92 -0.57 0.00 0.00 179.45 178.33 2gwl h TYR 412 N 0.61 -0.76 0.00 -1.35 3.20 -1.21 -0.88 116.97 116.58 2gwl h TYR 412 Ca 0.16 0.01 -0.02 0.00 3.14 0.00 0.00 58.73 62.02 2gwl h TYR 412 Cb 0.15 0.31 -0.00 0.00 1.54 0.00 0.00 36.73 38.72 2gwl h TYR 412 CO -0.00 -0.40 -0.09 -0.07 -1.64 0.00 0.00 178.16 175.95 2gwl h LEU 413 N -0.57 0.00 -0.19 2.82 3.38 -1.07 -2.43 115.31 117.26 2gwl h LEU 413 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2gwl h LEU 413 Cb 0.54 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.29 2gwl h LEU 413 CO -0.10 0.09 0.00 0.54 0.09 0.00 0.00 178.44 179.07 2gwl n ARG 414 N -4.27 0.24 -0.60 1.13 1.74 -0.37 -4.67 116.66 109.86 2gwl n ARG 414 Ca -0.03 0.27 0.00 0.00 -0.77 0.00 0.00 57.85 57.32 2gwl n ARG 414 Cb 0.17 -1.82 0.00 0.00 -1.02 0.00 0.00 32.46 29.79 2gwl n ARG 414 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2gwl n GLY 415 N 0.96 0.73 3.86 -0.13 0.00 -0.91 -5.06 105.19 104.64 2gwl n GLY 415 Ca 0.05 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.76 2gwl n GLY 415 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2gwl s ASP 416 N -2.27 6.05 0.21 1.61 1.01 -0.38 -5.00 116.67 117.89 2gwl s ASP 416 Ca 0.00 1.43 -0.31 0.00 0.71 0.00 0.00 52.55 54.37 2gwl s ASP 416 Cb 0.00 -2.44 -0.15 0.00 1.01 0.00 0.00 42.92 41.34 2gwl s ASP 416 CO 0.00 -0.99 1.15 -0.67 0.21 0.00 0.00 175.17 174.87 2gwl n ASP 417 N -2.83 1.44 -4.21 0.27 -0.08 -1.26 -4.40 116.55 105.48 2gwl n ASP 417 Ca 0.06 1.15 -0.12 0.00 -1.51 0.00 0.00 54.79 54.37 2gwl n ASP 417 Cb 0.54 -1.25 -0.10 0.00 2.34 0.00 0.00 41.12 42.65 2gwl n ASP 417 CO 0.00 0.00 0.00 -0.72 0.12 0.00 0.00 177.20 176.60 2gwl s TYR 418 N -0.38 1.10 -0.69 -0.67 -0.85 -1.26 -4.76 117.35 109.83 2gwl s TYR 418 Ca 0.69 -1.11 -0.27 0.00 -0.52 0.00 0.00 57.07 55.86 2gwl s TYR 418 Cb -0.80 -0.63 0.03 0.00 0.38 0.00 0.00 41.96 40.94 2gwl s TYR 418 CO 0.54 -0.33 1.28 -2.14 -1.52 0.00 0.00 175.55 173.37 2gwl s PRO 419 N -3.97 3.25 0.06 -3.49 0.02 -1.26 -4.88 135.00 124.72 2gwl s PRO 419 Ca 0.25 -0.08 -0.18 0.00 0.02 0.00 0.00 61.00 61.01 2gwl s PRO 419 Cb 0.07 -4.15 -0.14 0.00 0.02 0.00 0.00 34.50 30.30 2gwl s PRO 419 CO 0.04 -2.05 1.33 0.93 -0.33 0.00 0.00 177.00 176.91 2gwl h GLU 420 N 10.10 0.51 -0.85 5.54 5.08 -1.99 -1.77 114.58 131.19 2gwl h GLU 420 Ca -0.27 -0.31 -0.01 0.00 -1.00 0.00 0.00 59.36 57.77 2gwl h GLU 420 Cb 1.06 0.03 -0.04 0.00 0.50 0.00 0.00 28.75 30.30 2gwl h GLU 420 CO 1.25 0.90 0.48 1.15 -1.00 0.00 0.00 179.01 181.80 2gwl h THR 421 N 0.16 1.25 -0.59 1.13 2.02 -2.00 -1.98 112.91 112.89 2gwl h THR 421 Ca 0.02 -0.59 -0.09 0.00 0.77 0.00 0.00 66.41 66.52 2gwl h THR 421 Cb 0.86 0.08 -0.02 0.00 -1.74 0.00 0.00 68.15 67.33 2gwl h THR 421 CO 0.06 0.27 0.02 1.56 0.37 0.00 0.00 175.52 177.80 2gwl h GLN 422 N 1.19 1.04 -0.44 6.66 1.08 -1.93 -0.66 115.11 122.04 2gwl h GLN 422 Ca 0.30 -0.32 0.03 0.00 -1.45 0.00 0.00 58.65 57.21 2gwl h GLN 422 Cb 0.01 -0.10 -0.03 0.00 -0.05 0.00 0.00 27.48 27.30 2gwl h GLN 422 CO -0.05 1.01 0.24 0.00 -0.95 0.00 0.00 178.83 179.08 2gwl h ALA 423 N 0.99 0.56 -0.51 3.87 0.00 -0.97 -1.11 119.26 122.09 2gwl h ALA 423 Ca 0.17 0.01 -0.04 0.00 0.00 0.00 0.00 54.91 55.05 2gwl h ALA 423 Cb 0.53 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.21 2gwl h ALA 423 CO 0.03 -0.10 0.16 0.87 0.00 0.00 0.00 179.25 180.20 2gwl h LYS 424 N 0.48 0.79 -0.86 0.00 1.57 -1.05 -1.38 116.57 116.11 2gwl h LYS 424 Ca 0.18 -0.17 -0.02 0.00 -1.87 0.00 0.00 60.65 58.78 2gwl h LYS 424 Cb 0.06 -0.11 -0.04 0.00 0.08 0.00 0.00 32.23 32.22 2gwl h LYS 424 CO -0.11 0.73 0.46 0.93 -0.57 0.00 0.00 179.45 180.89 2gwl h GLU 425 N 0.69 1.21 -0.46 3.15 4.39 -0.81 -1.30 114.58 121.44 2gwl h GLU 425 Ca 0.16 -0.15 0.00 0.00 0.34 0.00 0.00 59.36 59.72 2gwl h GLU 425 Cb 0.27 -0.23 -0.02 0.00 -0.10 0.00 0.00 28.75 28.67 2gwl h GLU 425 CO -0.01 0.90 0.30 1.15 -1.16 0.00 0.00 179.01 180.19 2gwl h THR 426 N 1.21 1.13 -0.66 1.13 2.02 -0.98 0.28 112.91 117.03 2gwl h THR 426 Ca 0.30 -0.25 -0.02 0.00 0.77 0.00 0.00 66.41 67.22 2gwl h THR 426 Cb 0.05 0.46 -0.03 0.00 -1.74 0.00 0.00 68.15 66.89 2gwl h THR 426 CO -0.05 0.12 0.35 -0.07 0.37 0.00 0.00 175.52 176.24 2gwl h LEU 427 N 0.62 0.85 0.15 2.58 3.38 -0.81 -1.39 115.31 120.70 2gwl h LEU 427 Ca 0.17 -0.11 -0.01 0.00 0.09 0.00 0.00 57.88 58.02 2gwl h LEU 427 Cb -0.05 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 40.48 2gwl h LEU 427 CO -0.04 0.72 -0.07 -0.07 0.09 0.00 0.00 178.44 179.07 2gwl h LEU 428 N 0.91 -0.17 -0.94 1.67 3.38 -1.13 0.85 115.31 119.88 2gwl h LEU 428 Ca 0.23 -0.14 0.14 0.00 0.09 0.00 0.00 57.88 58.20 2gwl h LEU 428 Cb 0.07 0.04 -0.09 0.00 0.09 0.00 0.00 40.66 40.78 2gwl h LEU 428 CO -0.03 0.04 0.56 -1.28 0.09 0.00 0.00 178.44 177.81 2gwl h SER 429 N -0.38 0.76 -0.61 -0.43 0.87 -0.76 -1.25 113.55 111.74 2gwl h SER 429 Ca -0.02 0.07 0.00 0.00 -1.23 0.00 0.00 61.79 60.61 2gwl h SER 429 Cb 0.30 -0.07 0.00 0.00 -0.44 0.00 0.00 62.40 62.19 2gwl h SER 429 CO 0.03 0.37 0.00 0.54 -0.53 0.00 0.00 176.83 177.24 2gwl n ARG 430 N -4.73 2.58 -1.00 2.24 1.74 -0.54 -4.96 116.66 111.99 2gwl n ARG 430 Ca 0.19 -2.43 -0.00 0.00 -0.77 0.00 0.00 57.85 54.83 2gwl n ARG 430 Cb 0.41 -1.53 -0.00 0.00 -1.02 0.00 0.00 32.46 30.31 2gwl n ARG 430 CO 0.00 0.00 0.00 -0.25 -1.52 0.00 0.00 177.63 175.86 2gwl n ASP 431 N 1.52 -3.34 0.29 0.55 8.00 -0.47 -4.90 116.55 118.19 2gwl n ASP 431 Ca 0.22 0.00 0.16 0.00 0.71 0.00 0.00 54.79 55.89 2gwl n ASP 431 Cb 0.59 -0.85 0.84 0.00 -0.02 0.00 0.00 41.12 41.68 2gwl n ASP 431 CO 0.00 0.00 0.00 1.88 -0.39 0.00 0.00 177.20 178.69 2gwl h TYR 432 N 0.00 0.00 -4.12 1.24 0.05 -1.12 -3.42 116.97 109.59 2gwl h TYR 432 Ca -0.00 0.00 -0.47 0.00 0.05 0.00 0.00 58.73 58.30 2gwl h TYR 432 Cb 0.12 0.00 -0.27 0.00 1.01 0.00 0.00 36.73 37.59 2gwl h TYR 432 CO 0.07 0.06 -0.81 -0.51 -1.05 0.00 0.00 178.16 175.93 2gwl s LEU 433 N -6.71 2.11 -0.17 3.88 1.43 -1.00 -4.82 118.68 113.40 2gwl s LEU 433 Ca -0.02 -0.37 -0.12 0.00 -1.03 0.00 0.00 54.13 52.59 2gwl s LEU 433 Cb 0.12 -0.69 -0.07 0.00 0.03 0.00 0.00 46.19 45.58 2gwl s LEU 433 CO 0.53 0.11 -0.27 -1.54 0.23 0.00 0.00 176.35 175.41 2gwl n SER 434 N 2.27 1.60 -4.63 2.29 3.41 -1.26 -4.38 113.62 112.91 2gwl n SER 434 Ca -0.16 0.27 -0.48 0.00 -0.26 0.00 0.00 58.87 58.23 2gwl n SER 434 Cb 0.55 -0.63 -0.05 0.00 -0.26 0.00 0.00 64.21 63.82 2gwl n SER 434 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 175.04 175.29 2gwl n THR 435 N -4.07 0.09 1.62 6.66 -1.04 -1.26 -4.87 114.28 111.42 2gwl n THR 435 Ca -0.29 -0.02 0.05 0.00 -2.04 0.00 0.00 64.05 61.75 2gwl n THR 435 Cb 0.63 -1.23 0.22 0.00 -1.82 0.00 0.00 70.33 68.13 2gwl n THR 435 CO 0.00 0.00 0.00 -0.46 -0.64 0.00 0.00 175.07 173.97 2gwl n ASN 436 N 2.93 0.68 -3.21 8.00 2.04 -1.26 -4.09 115.26 120.36 2gwl n ASN 436 Ca 0.17 -1.82 -0.24 0.00 -0.44 0.00 0.00 54.58 52.26 2gwl n ASN 436 Cb 0.25 -0.07 -0.06 0.00 -2.53 0.00 0.00 39.78 37.36 2gwl n ASN 436 CO 0.00 0.00 0.00 -1.84 -0.44 0.00 0.00 177.26 174.98 2gwl n GLU 437 N -0.21 0.96 -2.21 -3.83 0.28 -1.26 -5.12 120.64 109.25 2gwl n GLU 437 Ca 0.08 -3.41 -0.39 0.00 -0.16 0.00 0.00 57.16 53.29 2gwl n GLU 437 Cb 0.13 -1.39 -0.02 0.00 1.43 0.00 0.00 31.44 31.59 2gwl n GLU 437 CO 0.00 0.00 0.00 -1.25 -0.16 0.00 0.00 177.13 175.72 2gwl s PRO 438 N -1.51 4.06 1.13 3.44 0.04 -1.26 -5.03 135.00 135.87 2gwl s PRO 438 Ca 0.36 1.96 -0.12 0.00 0.04 0.00 0.00 61.00 63.24 2gwl s PRO 438 Cb 0.19 -2.74 0.27 0.00 0.04 0.00 0.00 34.50 32.26 2gwl s PRO 438 CO -0.10 -0.35 1.04 -1.54 0.04 0.00 0.00 177.00 176.09 2gwl s SER 439 N -0.96 1.20 0.21 6.66 1.04 -1.26 -4.76 113.70 115.82 2gwl s SER 439 Ca 0.56 1.60 -0.10 0.00 0.48 0.00 0.00 55.95 58.49 2gwl s SER 439 Cb -0.34 -2.33 0.16 0.00 0.10 0.00 0.00 66.02 63.61 2gwl s SER 439 CO 0.43 -4.08 1.86 0.44 0.98 0.00 0.00 173.24 172.87 2gwl h ASP 440 N -2.54 0.92 0.07 7.02 3.32 -1.98 -0.48 116.42 122.75 2gwl h ASP 440 Ca -0.59 -0.05 0.02 0.00 0.02 0.00 0.00 57.03 56.42 2gwl h ASP 440 Cb 1.33 -0.23 -0.03 0.00 0.22 0.00 0.00 39.33 40.62 2gwl h ASP 440 CO 0.49 0.70 -0.17 -0.08 -1.72 0.00 0.00 179.24 178.47 2gwl h GLU 441 N 1.05 -0.30 -0.96 3.56 4.57 -1.99 -0.55 114.58 119.97 2gwl h GLU 441 Ca 0.28 0.02 0.02 0.00 -1.18 0.00 0.00 59.36 58.50 2gwl h GLU 441 Cb -0.06 0.07 -0.05 0.00 -0.16 0.00 0.00 28.75 28.55 2gwl h GLU 441 CO -0.05 -0.20 0.63 0.93 -1.18 0.00 0.00 179.01 179.14 2gwl h GLU 442 N -0.31 1.23 -0.06 1.92 5.08 -1.82 -0.43 114.58 120.19 2gwl h GLU 442 Ca 0.03 -0.07 -0.01 0.00 -1.00 0.00 0.00 59.36 58.31 2gwl h GLU 442 Cb 0.34 -0.28 -0.00 0.00 0.50 0.00 0.00 28.75 29.31 2gwl h GLU 442 CO -0.11 0.82 -0.01 0.35 -1.00 0.00 0.00 179.01 179.06 2gwl h PHE 443 N 1.27 0.12 -0.52 4.33 3.57 -1.04 -1.40 116.94 123.27 2gwl h PHE 443 Ca 0.36 -0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.83 2gwl h PHE 443 Cb -0.10 -0.03 -0.02 0.00 2.79 0.00 0.00 35.95 38.58 2gwl h PHE 443 CO -0.00 0.41 0.28 -0.22 -2.23 0.00 0.00 178.31 176.55 2gwl h LYS 444 N -0.20 0.73 -0.48 1.11 3.64 -0.79 -1.06 116.57 119.51 2gwl h LYS 444 Ca 0.02 -0.09 -0.03 0.00 -1.27 0.00 0.00 60.65 59.27 2gwl h LYS 444 Cb 0.37 -0.14 -0.02 0.00 -0.41 0.00 0.00 32.23 32.02 2gwl h LYS 444 CO 0.00 0.57 0.16 -0.91 -2.27 0.00 0.00 179.45 177.01 2gwl h ASN 445 N 0.70 0.64 -0.14 4.20 2.35 -1.02 -1.95 115.58 120.35 2gwl h ASN 445 Ca 0.18 -0.08 -0.18 0.00 -0.55 0.00 0.00 56.30 55.67 2gwl h ASN 445 Cb 0.06 -0.17 0.01 0.00 0.05 0.00 0.00 38.32 38.27 2gwl h ASN 445 CO -0.03 0.60 -0.61 0.00 -1.65 0.00 0.00 177.43 175.75 2gwl h ALA 446 N 1.49 0.27 -0.87 -0.83 0.00 -0.79 -2.38 119.26 116.15 2gwl h ALA 446 Ca 0.16 -0.54 0.05 0.00 0.00 0.00 0.00 54.91 54.58 2gwl h ALA 446 Cb 0.19 -0.02 -0.05 0.00 0.00 0.00 0.00 17.79 17.91 2gwl h ALA 446 CO -0.01 0.53 0.57 0.52 0.00 0.00 0.00 179.25 180.85 2gwl h MET 447 N 0.34 1.00 -0.39 0.00 2.86 -0.99 -1.52 114.93 116.23 2gwl h MET 447 Ca -0.04 -0.06 -0.02 0.00 -2.06 0.00 0.00 59.70 57.52 2gwl h MET 447 Cb 1.24 -0.23 -0.02 0.00 0.06 0.00 0.00 31.60 32.66 2gwl h MET 447 CO 0.13 0.66 0.17 0.77 1.06 0.00 0.00 176.91 179.70 2gwl h SER 448 N 1.03 0.54 -0.49 1.22 0.02 -1.15 0.17 113.55 114.89 2gwl h SER 448 Ca 0.36 -0.16 -0.03 0.00 -0.84 0.00 0.00 61.79 61.12 2gwl h SER 448 Cb 0.11 -0.14 -0.02 0.00 0.14 0.00 0.00 62.40 62.49 2gwl h SER 448 CO -0.12 0.55 0.20 0.58 -1.14 0.00 0.00 176.83 176.89 2gwl h VAL 449 N 0.49 1.21 -0.14 2.27 2.07 -1.05 -0.50 116.25 120.60 2gwl h VAL 449 Ca 0.13 -0.65 -0.00 0.00 0.82 0.00 0.00 66.70 67.01 2gwl h VAL 449 Cb 0.17 0.73 -0.01 0.00 -1.52 0.00 0.00 31.29 30.66 2gwl h VAL 449 CO -0.01 0.24 0.09 0.22 0.02 0.00 0.00 177.57 178.13 2gwl h TYR 450 N 0.64 0.18 -0.66 1.57 3.20 -1.00 0.15 116.97 121.06 2gwl h TYR 450 Ca 0.16 0.00 -0.03 0.00 3.14 0.00 0.00 58.73 62.01 2gwl h TYR 450 Cb 0.19 -0.06 -0.03 0.00 1.54 0.00 0.00 36.73 38.37 2gwl h TYR 450 CO 0.00 0.15 0.31 0.82 -1.64 0.00 0.00 178.16 177.81 2gwl h ILE 451 N 0.16 1.22 -0.58 1.81 2.04 -0.86 -2.04 117.51 119.27 2gwl h ILE 451 Ca 0.05 -0.64 -0.01 0.00 1.00 0.00 0.00 64.86 65.26 2gwl h ILE 451 Cb 0.02 0.43 -0.03 0.00 -0.74 0.00 0.00 36.82 36.50 2gwl h ILE 451 CO -0.01 0.26 0.30 0.78 0.00 0.00 0.00 178.15 179.48 2gwl h ASN 452 N 0.91 0.71 -0.25 1.72 2.35 -0.88 -0.83 115.58 119.31 2gwl h ASN 452 Ca 0.23 -0.06 -0.02 0.00 -0.55 0.00 0.00 56.30 55.89 2gwl h ASN 452 Cb 0.13 -0.18 -0.01 0.00 0.05 0.00 0.00 38.32 38.30 2gwl h ASN 452 CO -0.03 0.59 0.06 0.44 -1.65 0.00 0.00 177.43 176.85 2gwl h ASP 453 N 0.81 0.38 -0.35 5.81 3.32 -0.62 -0.71 116.42 125.06 2gwl h ASP 453 Ca 0.20 -0.23 0.01 0.00 0.02 0.00 0.00 57.03 57.04 2gwl h ASP 453 Cb 0.05 -0.10 -0.02 0.00 0.22 0.00 0.00 39.33 39.48 2gwl h ASP 453 CO -0.03 0.51 0.21 0.40 -1.72 0.00 0.00 179.24 178.61 2gwl h ILE 454 N 0.24 1.04 -0.77 0.35 2.04 -0.71 -0.99 117.51 118.70 2gwl h ILE 454 Ca 0.08 -0.14 -0.01 0.00 1.00 0.00 0.00 64.86 65.78 2gwl h ILE 454 Cb 0.28 0.58 -0.04 0.00 -0.74 0.00 0.00 36.82 36.91 2gwl h ILE 454 CO 0.00 0.08 0.44 0.00 0.00 0.00 0.00 178.15 178.66 2gwl h ALA 455 N 1.15 0.99 -0.48 1.87 0.00 -1.13 -0.89 119.26 120.78 2gwl h ALA 455 Ca 0.14 -0.11 -0.13 0.00 0.00 0.00 0.00 54.91 54.80 2gwl h ALA 455 Cb -0.00 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.46 2gwl h ALA 455 CO -0.06 0.48 -0.22 1.49 0.00 0.00 0.00 179.25 180.94 2gwl h GLU 456 N 1.06 0.98 -0.75 0.00 4.57 -0.94 -0.58 114.58 118.92 2gwl h GLU 456 Ca 0.27 -0.42 0.00 0.00 -1.18 0.00 0.00 59.36 58.03 2gwl h GLU 456 Cb 0.01 -0.03 -0.04 0.00 -0.16 0.00 0.00 28.75 28.53 2gwl h GLU 456 CO -0.05 1.10 0.47 0.78 -1.18 0.00 0.00 179.01 180.13 2gwl h GLY 457 N 0.88 1.08 0.88 1.92 0.00 -0.94 -1.81 103.07 105.07 2gwl h GLY 457 Ca 0.11 -0.43 0.01 0.00 0.00 0.00 0.00 47.33 47.02 2gwl h GLY 457 CO 0.07 0.42 0.03 -2.00 0.00 0.00 0.00 176.54 175.05 2gwl h LEU 458 N 1.02 0.02 -2.07 3.11 5.85 -0.93 -2.71 115.31 119.60 2gwl h LEU 458 Ca 0.27 0.02 0.02 0.00 0.84 0.00 0.00 57.88 59.03 2gwl h LEU 458 Cb -0.07 0.02 -0.00 0.00 0.37 0.00 0.00 40.66 40.98 2gwl h LEU 458 CO -0.05 0.03 0.05 -1.28 -0.34 0.00 0.00 178.44 176.85 2gwl h SER 459 N 0.08 0.00 1.11 1.25 0.87 -0.73 -1.42 113.55 114.72 2gwl h SER 459 Ca 0.05 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.61 2gwl h SER 459 Cb 0.04 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.00 2gwl h SER 459 CO -0.07 0.00 0.00 -1.54 -0.53 0.00 0.00 176.83 174.69 2gwl n SER 460 N -4.40 0.47 -4.81 6.23 3.41 -0.71 -4.84 113.62 108.97 2gwl n SER 460 Ca -0.01 0.56 -0.33 0.00 -0.26 0.00 0.00 58.87 58.83 2gwl n SER 460 Cb 0.16 -0.68 -0.01 0.00 -0.26 0.00 0.00 64.21 63.41 2gwl n SER 460 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 2gwl s LEU 461 N -3.93 3.66 0.36 1.04 1.43 -0.54 -4.99 118.68 115.71 2gwl s LEU 461 Ca 0.10 1.82 -0.28 0.00 -1.03 0.00 0.00 54.13 54.73 2gwl s LEU 461 Cb 0.13 -4.54 -0.11 0.00 0.03 0.00 0.00 46.19 41.71 2gwl s LEU 461 CO 0.51 -0.92 1.47 -2.84 0.23 0.00 0.00 176.35 174.80 2gwl s PRO 462 N -3.74 4.15 0.61 1.29 0.02 -1.26 -5.01 135.00 131.07 2gwl s PRO 462 Ca 0.64 2.51 -0.14 0.00 0.02 0.00 0.00 61.00 64.03 2gwl s PRO 462 Cb -0.15 -2.99 -0.03 0.00 0.02 0.00 0.00 34.50 31.34 2gwl s PRO 462 CO 0.29 -0.48 1.04 -1.21 -0.33 0.00 0.00 177.00 176.31 2gwl s GLU 463 N -1.83 3.34 0.32 5.54 2.02 -1.26 -4.50 118.70 122.33 2gwl s GLU 463 Ca 0.53 1.05 0.03 0.00 0.02 0.00 0.00 54.97 56.60 2gwl s GLU 463 Cb -0.45 -2.04 -0.05 0.00 0.10 0.00 0.00 34.13 31.69 2gwl s GLU 463 CO 0.59 -0.78 0.10 0.95 0.02 0.00 0.00 175.26 176.14 2gwl s THR 464 N -2.73 0.77 -1.74 3.63 -4.23 -1.26 -5.07 115.64 105.01 2gwl s THR 464 Ca 0.60 -2.00 0.12 0.00 -1.18 0.00 0.00 61.69 59.23 2gwl s THR 464 Cb -0.14 -2.63 0.38 0.00 1.34 0.00 0.00 72.50 71.46 2gwl s THR 464 CO 0.43 0.00 1.29 0.47 -0.54 0.00 0.00 174.62 176.27 2gwl n ASP 465 N -0.76 2.48 -4.73 3.99 8.00 -1.26 -4.96 116.55 119.31 2gwl n ASP 465 Ca -0.02 -2.09 -0.42 0.00 0.71 0.00 0.00 54.79 52.97 2gwl n ASP 465 Cb 0.66 -0.34 -0.02 0.00 -0.02 0.00 0.00 41.12 41.40 2gwl n ASP 465 CO 0.00 0.00 0.00 1.41 -0.39 0.00 0.00 177.20 178.22 2gwl n HIS 466 N 0.65 2.76 0.12 1.24 8.25 -1.26 -4.93 115.22 122.05 2gwl n HIS 466 Ca 0.14 0.25 0.01 0.00 -0.26 0.00 0.00 57.72 57.86 2gwl n HIS 466 Cb 0.43 -2.59 0.00 0.00 1.12 0.00 0.00 29.99 28.95 2gwl n HIS 466 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 2gwl n ARG 467 N 2.40 1.78 -3.76 -0.41 5.12 -1.26 -4.86 116.66 115.66 2gwl n ARG 467 Ca 0.10 -0.44 -0.13 0.00 -1.93 0.00 0.00 57.85 55.45 2gwl n ARG 467 Cb 0.36 -0.90 -0.09 0.00 -1.16 0.00 0.00 32.46 30.66 2gwl n ARG 467 CO 0.00 0.00 0.00 0.54 -1.93 0.00 0.00 177.63 176.24 2gwl s VAL 468 N -0.59 0.05 0.19 1.55 0.11 -1.26 -0.79 120.40 119.66 2gwl s VAL 468 Ca 0.03 -0.42 -0.02 0.00 -2.93 0.00 0.00 61.98 58.63 2gwl s VAL 468 Cb 0.02 -0.59 -0.04 0.00 -1.53 0.00 0.00 36.38 34.25 2gwl s VAL 468 CO 0.06 -0.23 0.14 0.68 -3.33 0.00 0.00 175.10 172.42 2gwl s VAL 469 N -1.14 0.02 0.08 2.04 -7.23 -0.21 -4.80 120.40 109.16 2gwl s VAL 469 Ca -0.12 -1.93 0.07 0.00 -1.81 0.00 0.00 61.98 58.19 2gwl s VAL 469 Cb -0.05 -2.37 -0.03 0.00 0.56 0.00 0.00 36.38 34.50 2gwl s VAL 469 CO 0.04 -0.11 -0.18 -0.31 -0.31 0.00 0.00 175.10 174.23 2gwl s TYR 470 N -4.12 1.56 -0.14 2.82 2.02 0.64 -0.97 117.35 119.16 2gwl s TYR 470 Ca 0.34 -0.41 -0.07 0.00 -0.37 0.00 0.00 57.07 56.56 2gwl s TYR 470 Cb 0.07 -0.88 0.05 0.00 -0.40 0.00 0.00 41.96 40.80 2gwl s TYR 470 CO 0.09 0.12 0.32 0.50 -1.57 0.00 0.00 175.55 175.01 2gwl s ARG 471 N -1.64 0.28 -0.11 -0.62 3.52 -0.85 -0.08 118.95 119.45 2gwl s ARG 471 Ca 0.04 0.67 -0.11 0.00 -0.13 0.00 0.00 55.73 56.20 2gwl s ARG 471 Cb -0.09 -0.06 -0.05 0.00 -1.56 0.00 0.00 34.95 33.19 2gwl s ARG 471 CO 0.03 -0.18 0.24 0.20 -0.81 0.00 0.00 175.30 174.78 2gwl s GLY 472 N 1.49 2.24 0.05 8.12 0.00 -1.26 0.12 107.32 118.08 2gwl s GLY 472 Ca -0.08 -0.50 0.03 0.00 0.00 0.00 0.00 44.72 44.18 2gwl s GLY 472 CO -0.10 -0.01 -0.10 1.08 0.00 0.00 0.00 173.10 173.96 2gwl s LEU 473 N -0.57 2.26 -0.47 0.66 1.43 0.13 -4.97 118.68 117.16 2gwl s LEU 473 Ca 0.17 -0.58 -0.14 0.00 -1.03 0.00 0.00 54.13 52.55 2gwl s LEU 473 Cb -0.13 -0.31 0.08 0.00 0.03 0.00 0.00 46.19 45.86 2gwl s LEU 473 CO 0.06 -0.15 0.38 -0.75 0.23 0.00 0.00 176.35 176.11 2gwl s LYS 474 N -1.64 2.88 0.00 1.70 2.20 -1.26 -1.63 119.74 121.98 2gwl s LYS 474 Ca -0.07 -1.44 0.12 0.00 -0.36 0.00 0.00 55.97 54.22 2gwl s LYS 474 Cb -0.10 -4.07 -0.04 0.00 -1.51 0.00 0.00 37.83 32.11 2gwl s LYS 474 CO 0.01 -1.06 0.62 1.28 -0.36 0.00 0.00 175.35 175.85 2gwl n LEU 475 N 5.13 1.06 -1.15 5.43 4.77 -1.26 -4.61 117.00 126.37 2gwl n LEU 475 Ca -0.12 -0.68 0.05 0.00 -0.03 0.00 0.00 56.01 55.24 2gwl n LEU 475 Cb 0.43 0.00 0.23 0.00 -2.33 0.00 0.00 43.42 41.75 2gwl n LEU 475 CO 0.46 0.22 0.65 0.47 -1.33 0.00 0.00 177.39 177.86 2gwl n ASP 476 N -0.56 3.33 -4.76 -1.43 8.00 -1.26 -4.60 116.55 115.28 2gwl n ASP 476 Ca 0.04 -2.35 -0.41 0.00 0.71 0.00 0.00 54.79 52.78 2gwl n ASP 476 Cb 0.22 -0.49 -0.03 0.00 -0.02 0.00 0.00 41.12 40.80 2gwl n ASP 476 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 2gwl s LYS 477 N -1.81 4.47 0.26 -1.24 1.02 -1.26 -4.96 119.74 116.22 2gwl s LYS 477 Ca 0.32 2.01 -0.01 0.00 0.02 0.00 0.00 55.97 58.31 2gwl s LYS 477 Cb 0.22 -3.16 0.56 0.00 -0.52 0.00 0.00 37.83 34.93 2gwl s LYS 477 CO 0.14 -0.06 1.74 -1.35 -0.92 0.00 0.00 175.35 174.90 2gwl h PRO 478 N 4.17 0.53 0.00 -1.68 0.11 -2.01 0.20 132.00 133.32 2gwl h PRO 478 Ca -0.47 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.61 2gwl h PRO 478 Cb 1.22 -0.12 0.00 0.00 0.11 0.00 0.00 31.00 32.21 2gwl h PRO 478 CO 0.69 0.35 0.00 0.00 -0.21 0.00 0.00 178.00 178.84 2gwl n ALA 479 N -2.45 1.32 -0.63 -0.75 0.00 -1.26 -1.82 120.51 114.92 2gwl n ALA 479 Ca 0.17 -0.02 0.07 0.00 0.00 0.00 0.00 53.44 53.66 2gwl n ALA 479 Cb 0.47 -1.11 0.22 0.00 0.00 0.00 0.00 19.45 19.03 2gwl n ALA 479 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2gwl n LEU 480 N -1.49 3.50 0.14 0.00 4.77 0.06 -4.70 117.00 119.29 2gwl n LEU 480 Ca 0.02 -2.56 0.06 0.00 -0.03 0.00 0.00 56.01 53.50 2gwl n LEU 480 Cb 0.08 -0.41 0.55 0.00 -2.33 0.00 0.00 43.42 41.31 2gwl n LEU 480 CO 0.06 0.70 1.11 0.77 -1.33 0.00 0.00 177.39 178.71 2gwl h SER 481 N 1.97 0.21 -0.10 -1.43 4.64 -1.38 0.20 113.55 117.66 2gwl h SER 481 Ca 0.00 -0.01 -0.05 0.00 -0.47 0.00 0.00 61.79 61.26 2gwl h SER 481 Cb 1.14 -0.05 -0.00 0.00 -0.31 0.00 0.00 62.40 63.18 2gwl h SER 481 CO 0.13 0.15 -0.15 -2.24 -0.87 0.00 0.00 176.83 173.85 2gwl h ASP 482 N 0.24 0.31 -0.58 4.97 2.03 -1.84 -2.05 116.42 119.49 2gwl h ASP 482 Ca 0.07 -0.53 -0.00 0.00 -0.73 0.00 0.00 57.03 55.84 2gwl h ASP 482 Cb -0.02 -0.09 -0.03 0.00 -0.83 0.00 0.00 39.33 38.36 2gwl h ASP 482 CO -0.01 0.78 0.36 0.58 -1.03 0.00 0.00 179.24 179.91 2gwl h VAL 483 N -0.15 1.17 -0.58 4.15 2.07 -1.65 -1.20 116.25 120.06 2gwl h VAL 483 Ca 0.01 -0.35 0.05 0.00 0.82 0.00 0.00 66.70 67.23 2gwl h VAL 483 Cb 0.71 0.36 -0.05 0.00 -1.52 0.00 0.00 31.29 30.79 2gwl h VAL 483 CO 0.03 0.17 0.30 0.25 0.02 0.00 0.00 177.57 178.35 2gwl h LEU 484 N 0.78 0.44 -0.65 2.57 5.85 -0.63 -1.40 115.31 122.28 2gwl h LEU 484 Ca 0.21 0.03 0.04 0.00 0.84 0.00 0.00 57.88 58.99 2gwl h LEU 484 Cb -0.04 -0.06 -0.04 0.00 0.37 0.00 0.00 40.66 40.89 2gwl h LEU 484 CO -0.04 0.30 0.39 0.50 -0.34 0.00 0.00 178.44 179.25 2gwl h LYS 485 N 0.58 0.73 -0.26 1.25 3.64 -0.79 -0.68 116.57 121.04 2gwl h LYS 485 Ca 0.26 -0.04 -0.01 0.00 -1.27 0.00 0.00 60.65 59.58 2gwl h LYS 485 Cb 0.15 -0.17 -0.01 0.00 -0.41 0.00 0.00 32.23 31.80 2gwl h LYS 485 CO -0.17 0.49 0.11 0.93 -2.27 0.00 0.00 179.45 178.54 2gwl h GLU 486 N 0.76 0.38 0.00 1.90 4.39 -0.78 -2.52 114.58 118.70 2gwl h GLU 486 Ca 0.27 -0.06 0.00 0.00 0.34 0.00 0.00 59.36 59.91 2gwl h GLU 486 Cb 0.06 -0.06 0.00 0.00 -0.10 0.00 0.00 28.75 28.65 2gwl h GLU 486 CO -0.12 0.39 0.00 1.88 -1.16 0.00 0.00 179.01 180.00 2gwl h TYR 487 N 0.27 0.00 -0.27 4.33 -1.99 -1.01 -3.09 116.97 115.22 2gwl h TYR 487 Ca 0.09 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.82 2gwl h TYR 487 Cb 0.15 0.00 0.00 0.00 2.00 0.00 0.00 36.73 38.88 2gwl h TYR 487 CO -0.01 0.00 0.00 0.25 -0.00 0.00 0.00 178.16 178.40 2gwl n THR 488 N -2.35 1.84 -3.18 -2.88 -2.24 -0.29 -4.89 114.28 100.28 2gwl n THR 488 Ca 0.03 -1.60 -0.43 0.00 -2.27 0.00 0.00 64.05 59.78 2gwl n THR 488 Cb 0.31 -0.00 -0.07 0.00 -2.10 0.00 0.00 70.33 68.47 2gwl n THR 488 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 2gwl s THR 489 N -2.21 4.91 0.42 4.28 2.01 -0.98 -5.01 115.64 119.06 2gwl s THR 489 Ca 0.35 -0.29 -0.26 0.00 0.31 0.00 0.00 61.69 61.79 2gwl s THR 489 Cb 0.26 -4.21 -0.09 0.00 0.01 0.00 0.00 72.50 68.47 2gwl s THR 489 CO 0.10 -0.66 1.46 -0.51 -0.69 0.00 0.00 174.62 174.33 2gwl s ILE 490 N 2.56 2.04 0.00 1.82 2.07 -1.26 -1.45 121.20 126.98 2gwl s ILE 490 Ca 0.16 0.04 0.00 0.00 -1.41 0.00 0.00 60.65 59.44 2gwl s ILE 490 Cb -0.17 -3.02 0.00 0.00 0.13 0.00 0.00 42.46 39.40 2gwl s ILE 490 CO 0.14 0.01 0.00 0.61 -1.91 0.00 0.00 174.94 173.79 2gwl n GLY 491 N 0.52 2.88 3.74 1.50 0.00 -0.08 -5.00 105.19 108.74 2gwl n GLY 491 Ca 0.03 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.69 2gwl n GLY 491 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2gwl s ASN 492 N -2.50 4.81 -0.18 1.61 2.47 -0.53 -4.62 114.94 115.99 2gwl s ASN 492 Ca 0.00 2.47 -0.01 0.00 0.42 0.00 0.00 52.86 55.74 2gwl s ASN 492 Cb 0.00 -2.60 0.00 0.00 -1.45 0.00 0.00 41.25 37.20 2gwl s ASN 492 CO 0.00 -1.86 -0.13 -0.63 -3.72 0.00 0.00 177.10 170.77 2gwl s ILE 493 N -1.58 2.78 -0.04 -5.21 1.01 -1.26 -0.77 121.20 116.12 2gwl s ILE 493 Ca 0.79 -0.71 0.05 0.00 0.00 0.00 0.00 60.65 60.78 2gwl s ILE 493 Cb -0.33 -2.21 -0.02 0.00 0.01 0.00 0.00 42.46 39.91 2gwl s ILE 493 CO 0.38 0.49 -0.19 -0.63 0.00 0.00 0.00 174.94 174.98 2gwl s ILE 494 N 1.11 2.61 -0.31 2.92 1.01 -0.08 -4.94 121.20 123.52 2gwl s ILE 494 Ca 0.00 -0.89 -0.07 0.00 0.00 0.00 0.00 60.65 59.70 2gwl s ILE 494 Cb -0.14 -1.99 0.02 0.00 0.01 0.00 0.00 42.46 40.36 2gwl s ILE 494 CO -0.04 0.58 0.09 -0.63 0.00 0.00 0.00 174.94 174.94 2gwl s ILE 495 N -0.58 3.93 -0.25 2.92 1.01 -1.26 -0.11 121.20 126.86 2gwl s ILE 495 Ca 0.08 -0.83 -0.24 0.00 0.00 0.00 0.00 60.65 59.67 2gwl s ILE 495 Cb -0.11 -3.09 -0.01 0.00 0.01 0.00 0.00 42.46 39.27 2gwl s ILE 495 CO 0.01 -0.00 0.80 -0.62 0.00 0.00 0.00 174.94 175.13 2gwl s ASP 496 N 1.47 6.79 0.37 3.58 -1.08 0.76 -4.92 116.67 123.64 2gwl s ASP 496 Ca 0.01 0.97 0.20 0.00 -0.52 0.00 0.00 52.55 53.21 2gwl s ASP 496 Cb -0.18 -2.42 0.23 0.00 -1.46 0.00 0.00 42.92 39.09 2gwl s ASP 496 CO 0.03 -0.51 1.52 0.11 0.52 0.00 0.00 175.17 176.84 2gwl h LYS 497 N 7.74 0.00 0.00 4.34 1.57 -1.87 0.29 116.57 128.64 2gwl h LYS 497 Ca -0.24 0.00 -0.42 0.00 -1.87 0.00 0.00 60.65 58.13 2gwl h LYS 497 Cb 1.10 0.00 0.10 0.00 0.08 0.00 0.00 32.23 33.51 2gwl h LYS 497 CO 0.86 0.16 0.18 0.00 -0.57 0.00 0.00 179.45 180.08 2gwl n ALA 498 N -2.15 -0.23 -1.77 3.86 0.00 -1.26 -4.00 120.51 114.97 2gwl n ALA 498 Ca 0.03 -1.74 -0.39 0.00 0.00 0.00 0.00 53.44 51.34 2gwl n ALA 498 Cb 0.60 0.20 -0.03 0.00 0.00 0.00 0.00 19.45 20.22 2gwl n ALA 498 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.50 177.44 2gwl s PHE 499 N -3.04 3.21 -0.28 0.00 0.08 -1.26 -3.85 117.98 112.84 2gwl s PHE 499 Ca 0.63 1.57 -0.04 0.00 0.12 0.00 0.00 56.93 59.21 2gwl s PHE 499 Cb -0.03 -3.40 0.02 0.00 -0.57 0.00 0.00 43.02 39.04 2gwl s PHE 499 CO 0.42 -1.17 0.02 1.41 -0.10 0.00 0.00 175.22 175.80 2gwl s MET 500 N -2.01 2.89 -0.15 0.44 -2.45 -0.23 -4.94 119.30 112.85 2gwl s MET 500 Ca 0.53 -0.97 -0.23 0.00 -1.25 0.00 0.00 55.69 53.77 2gwl s MET 500 Cb -0.32 -3.21 -0.03 0.00 1.25 0.00 0.00 34.83 32.52 2gwl s MET 500 CO 0.41 -0.46 0.70 0.45 1.05 0.00 0.00 175.02 177.17 2gwl s SER 501 N 1.40 6.84 0.22 1.11 0.15 -1.26 -0.85 113.70 121.31 2gwl s SER 501 Ca 0.01 1.02 0.02 0.00 0.70 0.00 0.00 55.95 57.69 2gwl s SER 501 Cb -0.17 -2.39 -0.05 0.00 -1.71 0.00 0.00 66.02 61.70 2gwl s SER 501 CO -0.01 -0.26 0.05 0.42 1.20 0.00 0.00 173.24 174.64 2gwl s THR 502 N 1.66 0.63 -0.07 6.45 -4.23 -0.39 -4.81 115.64 114.89 2gwl s THR 502 Ca 0.33 -1.99 0.05 0.00 -1.18 0.00 0.00 61.69 58.90 2gwl s THR 502 Cb -0.16 -2.40 -0.01 0.00 1.34 0.00 0.00 72.50 71.27 2gwl s THR 502 CO 0.13 -0.22 -0.23 -0.55 -0.54 0.00 0.00 174.62 173.21 2gwl s SER 503 N -3.25 2.85 0.10 3.99 0.15 0.88 -1.37 113.70 117.05 2gwl s SER 503 Ca 0.31 -0.48 0.26 0.00 0.70 0.00 0.00 55.95 56.74 2gwl s SER 503 Cb 0.07 -0.93 0.99 0.00 -1.71 0.00 0.00 66.02 64.44 2gwl s SER 503 CO 0.09 0.20 1.80 -0.81 1.20 0.00 0.00 173.24 175.72 2gwl n PRO 504 N 3.16 0.12 -0.08 5.44 -0.04 -1.26 -0.26 135.00 142.07 2gwl n PRO 504 Ca -0.18 0.15 -0.14 0.00 -0.04 0.00 0.00 63.50 63.28 2gwl n PRO 504 Cb 0.52 -1.65 -0.07 0.00 -0.04 0.00 0.00 33.50 32.27 2gwl n PRO 504 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 2gwl n ASP 505 N -1.86 1.98 -3.67 3.54 8.00 -1.26 -4.86 116.55 118.42 2gwl n ASP 505 Ca 0.06 0.06 -0.11 0.00 0.71 0.00 0.00 54.79 55.51 2gwl n ASP 505 Cb 0.35 -0.37 -0.05 0.00 -0.02 0.00 0.00 41.12 41.03 2gwl n ASP 505 CO 0.00 0.00 0.00 -1.59 -0.39 0.00 0.00 177.20 175.22 2gwl s LYS 506 N -2.31 1.01 -0.17 -1.24 -2.85 -1.26 -4.66 119.74 108.26 2gwl s LYS 506 Ca -0.22 -0.69 -0.11 0.00 -1.00 0.00 0.00 55.97 53.95 2gwl s LYS 506 Cb 0.07 0.44 -0.05 0.00 -2.06 0.00 0.00 37.83 36.24 2gwl s LYS 506 CO 0.32 -0.38 0.19 0.00 0.10 0.00 0.00 175.35 175.58 2gwl s ALA 507 N -3.60 3.69 -0.20 0.59 0.00 0.43 -4.53 121.76 118.13 2gwl s ALA 507 Ca 0.02 -0.60 -0.29 0.00 0.00 0.00 0.00 51.96 51.09 2gwl s ALA 507 Cb 0.02 -2.22 0.00 0.00 0.00 0.00 0.00 23.12 20.92 2gwl s ALA 507 CO -0.10 0.21 1.10 -1.58 0.00 0.00 0.00 175.76 175.38 2gwl s TRP 508 N 0.17 3.23 0.19 0.00 0.52 -1.26 0.05 118.94 121.84 2gwl s TRP 508 Ca 0.12 1.36 -0.32 0.00 0.02 0.00 0.00 56.10 57.28 2gwl s TRP 508 Cb -0.12 -3.33 -0.11 0.00 -1.15 0.00 0.00 33.47 28.77 2gwl s TRP 508 CO 0.01 -0.78 1.64 0.42 0.02 0.00 0.00 176.95 178.26 2gwl s ILE 509 N 3.17 2.30 0.35 2.03 1.01 -1.26 -4.03 121.20 124.77 2gwl s ILE 509 Ca 0.47 0.22 -0.10 0.00 0.00 0.00 0.00 60.65 61.24 2gwl s ILE 509 Cb -0.17 -3.14 0.04 0.00 0.01 0.00 0.00 42.46 39.20 2gwl s ILE 509 CO 0.09 0.02 0.64 -3.20 0.00 0.00 0.00 174.94 172.49 2gwl n ASN 510 N 3.86 -1.83 0.17 3.58 2.85 -1.26 -4.98 115.26 117.65 2gwl n ASN 510 Ca 0.14 -2.57 0.11 0.00 -0.11 0.00 0.00 54.58 52.15 2gwl n ASN 510 Cb 0.37 3.14 0.64 0.00 1.24 0.00 0.00 39.78 45.17 2gwl n ASN 510 CO 0.00 0.00 0.00 -2.24 -2.11 0.00 0.00 177.26 172.91 2gwl h ASP 511 N 1.83 0.03 -3.19 1.20 3.04 -1.72 -3.39 116.42 114.22 2gwl h ASP 511 Ca -0.29 -0.00 -0.61 0.00 -3.24 0.00 0.00 57.03 52.89 2gwl h ASP 511 Cb 1.13 -0.01 -0.35 0.00 -1.04 0.00 0.00 39.33 39.06 2gwl h ASP 511 CO 0.38 0.02 -0.84 -0.89 -2.04 0.00 0.00 179.24 175.86 2gwl s THR 512 N -5.08 1.61 -0.24 1.15 2.01 -0.65 -0.28 115.64 114.17 2gwl s THR 512 Ca -0.05 -0.69 -0.07 0.00 0.31 0.00 0.00 61.69 61.19 2gwl s THR 512 Cb 0.18 -1.48 -0.03 0.00 0.01 0.00 0.00 72.50 71.17 2gwl s THR 512 CO 0.69 0.46 0.07 -0.63 -0.69 0.00 0.00 174.62 174.53 2gwl s ILE 513 N 1.18 4.42 -0.17 1.82 -1.09 -0.45 0.17 121.20 127.08 2gwl s ILE 513 Ca -0.01 -0.14 -0.15 0.00 -2.23 0.00 0.00 60.65 58.12 2gwl s ILE 513 Cb -0.14 -3.05 -0.04 0.00 -1.58 0.00 0.00 42.46 37.64 2gwl s ILE 513 CO -0.06 0.36 0.34 -0.76 -1.23 0.00 0.00 174.94 173.59 2gwl s LEU 514 N 1.36 4.21 -0.39 2.97 1.43 0.12 -0.66 118.68 127.72 2gwl s LEU 514 Ca 0.05 0.52 -0.03 0.00 -1.03 0.00 0.00 54.13 53.63 2gwl s LEU 514 Cb -0.15 -2.44 0.09 0.00 0.03 0.00 0.00 46.19 43.73 2gwl s LEU 514 CO 0.04 0.03 0.17 0.21 0.23 0.00 0.00 176.35 177.02 2gwl s ASN 515 N 0.71 5.22 -0.35 2.29 2.47 -0.08 -2.01 114.94 123.20 2gwl s ASN 515 Ca 0.18 -1.82 -0.05 0.00 0.42 0.00 0.00 52.86 51.59 2gwl s ASN 515 Cb -0.14 -1.82 0.06 0.00 -1.45 0.00 0.00 41.25 37.90 2gwl s ASN 515 CO 0.06 -0.49 0.10 -0.63 -3.72 0.00 0.00 177.10 172.43 2gwl s ILE 516 N 1.19 3.51 0.32 -5.21 1.01 -0.14 -0.55 121.20 121.33 2gwl s ILE 516 Ca 0.05 -1.37 -0.26 0.00 0.00 0.00 0.00 60.65 59.07 2gwl s ILE 516 Cb -0.22 -3.07 -0.10 0.00 0.01 0.00 0.00 42.46 39.08 2gwl s ILE 516 CO -0.03 -0.27 0.94 -0.31 0.00 0.00 0.00 174.94 175.28 2gwl s TYR 517 N 1.32 3.69 0.02 3.97 2.02 -0.09 -1.04 117.35 127.24 2gwl s TYR 517 Ca -0.01 1.77 0.07 0.00 -0.37 0.00 0.00 57.07 58.54 2gwl s TYR 517 Cb -0.20 -2.92 -0.02 0.00 -0.40 0.00 0.00 41.96 38.42 2gwl s TYR 517 CO 0.00 0.21 -0.20 -0.51 -1.57 0.00 0.00 175.55 173.48 2gwl s LEU 518 N -2.07 2.12 0.22 -1.29 1.43 0.03 -1.00 118.68 118.13 2gwl s LEU 518 Ca 0.50 -0.47 0.05 0.00 -1.03 0.00 0.00 54.13 53.19 2gwl s LEU 518 Cb -0.18 -0.99 -0.03 0.00 0.03 0.00 0.00 46.19 45.01 2gwl s LEU 518 CO 0.23 0.19 0.25 -1.61 0.23 0.00 0.00 176.35 175.65 2gwl s GLU 519 N -0.94 3.16 0.36 1.70 0.41 -1.26 -4.75 118.70 117.39 2gwl s GLU 519 Ca 0.07 -0.86 -0.28 0.00 -0.41 0.00 0.00 54.97 53.49 2gwl s GLU 519 Cb -0.08 -2.74 -0.12 0.00 -1.78 0.00 0.00 34.13 29.41 2gwl s GLU 519 CO 0.01 0.44 1.38 1.63 -0.49 0.00 0.00 175.26 178.23 2gwl n LYS 520 N -1.03 2.38 -0.85 1.61 5.02 -1.26 -2.79 118.16 121.25 2gwl n LYS 520 Ca -0.08 0.83 0.00 0.00 -2.02 0.00 0.00 58.31 57.04 2gwl n LYS 520 Cb 0.56 -2.49 0.00 0.00 -0.02 0.00 0.00 35.03 33.09 2gwl n LYS 520 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2gwl n GLY 521 N 0.62 0.60 3.57 0.72 0.00 -1.26 -5.05 105.19 104.39 2gwl n GLY 521 Ca 0.03 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.76 2gwl n GLY 521 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 2gwl s HIS 522 N -2.13 1.58 -2.46 1.61 -3.43 -1.12 -4.95 115.29 104.40 2gwl s HIS 522 Ca 0.00 1.29 0.23 0.00 -0.80 0.00 0.00 55.06 55.78 2gwl s HIS 522 Cb 0.00 -3.17 0.62 0.00 -1.43 0.00 0.00 32.58 28.60 2gwl s HIS 522 CO 0.00 -3.42 1.49 1.63 -2.00 0.00 0.00 174.74 172.44 2gwl n LYS 523 N -4.61 2.03 -2.57 -0.38 5.02 -1.26 -4.94 118.16 111.45 2gwl n LYS 523 Ca 0.05 -1.54 -0.35 0.00 -2.02 0.00 0.00 58.31 54.45 2gwl n LYS 523 Cb 0.54 -1.45 -0.04 0.00 -0.02 0.00 0.00 35.03 34.06 2gwl n LYS 523 CO 0.00 0.00 0.00 0.20 -0.52 0.00 0.00 177.40 177.08 2gwl s GLY 524 N -1.65 2.60 -0.04 0.72 0.00 -1.26 -4.54 107.32 103.14 2gwl s GLY 524 Ca 0.34 0.63 -0.02 0.00 0.00 0.00 0.00 44.72 45.67 2gwl s GLY 524 CO 0.29 0.99 0.09 0.50 0.00 0.00 0.00 173.10 174.98 2gwl s ARG 525 N -2.90 0.06 0.10 2.90 1.81 -0.13 -4.86 118.95 115.94 2gwl s ARG 525 Ca 0.63 0.23 -0.31 0.00 -1.72 0.00 0.00 55.73 54.56 2gwl s ARG 525 Cb -0.18 -0.11 -0.09 0.00 -0.45 0.00 0.00 34.95 34.12 2gwl s ARG 525 CO 0.22 -0.11 1.57 0.42 -0.68 0.00 0.00 175.30 176.73 2gwl s ILE 526 N 0.72 2.97 0.07 1.52 -1.09 -1.26 -1.17 121.20 122.95 2gwl s ILE 526 Ca -0.06 0.57 -0.12 0.00 -2.23 0.00 0.00 60.65 58.81 2gwl s ILE 526 Cb -0.08 -3.36 -0.28 0.00 -1.58 0.00 0.00 42.46 37.16 2gwl s ILE 526 CO -0.03 0.02 1.13 -0.07 -1.23 0.00 0.00 174.94 174.76 2gwl h LEU 527 N 7.71 0.76 0.00 2.97 3.38 -1.27 -3.46 115.31 125.40 2gwl h LEU 527 Ca -0.42 -0.71 0.00 0.00 0.09 0.00 0.00 57.88 56.84 2gwl h LEU 527 Cb 1.20 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 41.71 2gwl h LEU 527 CO 0.91 1.53 0.00 0.61 0.09 0.00 0.00 178.44 181.58 2gwl n GLY 528 N 1.37 3.14 0.00 0.83 0.00 -1.26 -1.90 105.19 107.38 2gwl n GLY 528 Ca -0.12 -0.24 0.09 0.00 0.00 0.00 0.00 46.02 45.75 2gwl n GLY 528 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2gwl n ASP 529 N 2.44 0.00 0.25 1.61 9.92 -1.26 -1.41 116.55 128.10 2gwl n ASP 529 Ca 0.00 0.08 0.12 0.00 -0.53 0.00 0.00 54.79 54.47 2gwl n ASP 529 Cb 0.00 -0.31 0.61 0.00 -0.64 0.00 0.00 41.12 40.78 2gwl n ASP 529 CO 0.00 0.00 0.00 0.58 0.13 0.00 0.00 177.20 177.91 2gwl h VAL 530 N 0.00 0.46 -4.01 2.53 2.07 -1.77 -3.45 116.25 112.08 2gwl h VAL 530 Ca 0.00 -0.80 -0.51 0.00 0.82 0.00 0.00 66.70 66.21 2gwl h VAL 530 Cb 0.19 1.56 0.07 0.00 -1.52 0.00 0.00 31.29 31.60 2gwl h VAL 530 CO 0.00 0.15 0.49 0.00 0.02 0.00 0.00 177.57 178.23 2gwl s ALA 531 N -3.85 2.94 -0.04 1.67 0.00 -0.50 -4.41 121.76 117.57 2gwl s ALA 531 Ca -0.01 0.95 -0.19 0.00 0.00 0.00 0.00 51.96 52.71 2gwl s ALA 531 Cb 0.11 -3.39 -0.13 0.00 0.00 0.00 0.00 23.12 19.71 2gwl s ALA 531 CO 0.60 -0.71 0.80 1.25 0.00 0.00 0.00 175.76 177.69 2gwl h HIS 532 N 1.94 -0.30 -3.63 0.00 2.76 -1.84 -3.40 115.15 110.69 2gwl h HIS 532 Ca -0.49 -0.01 -0.64 0.00 -2.20 0.00 0.00 60.37 57.03 2gwl h HIS 532 Cb 1.25 0.10 -0.15 0.00 1.55 0.00 0.00 27.41 30.16 2gwl h HIS 532 CO 0.53 0.05 -0.10 -0.06 -1.30 0.00 0.00 177.93 177.04 2gwl s PHE 533 N -3.41 3.21 0.57 5.26 0.08 -1.26 -5.06 117.98 117.37 2gwl s PHE 533 Ca -0.11 0.29 0.09 0.00 0.12 0.00 0.00 56.93 57.33 2gwl s PHE 533 Cb 0.01 -2.79 0.09 0.00 -0.57 0.00 0.00 43.02 39.76 2gwl s PHE 533 CO 0.40 -0.42 0.77 1.63 -0.10 0.00 0.00 175.22 177.50 2gwl n LYS 534 N 5.59 0.62 -0.07 0.44 5.02 -1.26 -4.65 118.16 123.85 2gwl n LYS 534 Ca -0.06 -3.06 0.00 0.00 -2.02 0.00 0.00 58.31 53.17 2gwl n LYS 534 Cb 0.49 -0.21 0.00 0.00 -0.02 0.00 0.00 35.03 35.29 2gwl n LYS 534 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2gwl n GLY 535 N -1.88 1.89 3.21 0.72 0.00 -1.26 -4.98 105.19 102.88 2gwl n GLY 535 Ca 0.15 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.84 2gwl n GLY 535 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2gwl s GLU 536 N -0.33 3.12 0.57 1.61 0.41 -1.26 -5.12 118.70 117.69 2gwl s GLU 536 Ca 0.00 -0.80 -0.20 0.00 -0.41 0.00 0.00 54.97 53.56 2gwl s GLU 536 Cb 0.00 -2.55 -0.04 0.00 -1.78 0.00 0.00 34.13 29.76 2gwl s GLU 536 CO 0.00 -0.02 1.25 0.00 -0.49 0.00 0.00 175.26 176.00 2gwl s ALA 537 N 0.87 2.66 -0.11 5.21 0.00 -1.26 -5.01 121.76 124.12 2gwl s ALA 537 Ca -0.05 1.10 -0.04 0.00 0.00 0.00 0.00 51.96 52.97 2gwl s ALA 537 Cb -0.15 -3.48 0.05 0.00 0.00 0.00 0.00 23.12 19.54 2gwl s ALA 537 CO -0.02 -1.18 0.22 -2.00 0.00 0.00 0.00 175.76 172.78 2gwl s GLU 538 N -3.14 0.12 -0.31 0.00 2.12 -1.26 -4.53 118.70 111.70 2gwl s GLU 538 Ca 0.74 0.62 -0.11 0.00 0.36 0.00 0.00 54.97 56.59 2gwl s GLU 538 Cb -0.33 -0.13 -0.02 0.00 0.26 0.00 0.00 34.13 33.91 2gwl s GLU 538 CO 0.37 -0.26 0.20 1.41 -0.54 0.00 0.00 175.26 176.45 2gwl s MET 539 N 2.04 3.58 -0.03 4.30 -2.45 -0.47 -0.63 119.30 125.64 2gwl s MET 539 Ca -0.01 -0.57 -0.02 0.00 -1.25 0.00 0.00 55.69 53.84 2gwl s MET 539 Cb -0.12 -3.69 -0.04 0.00 1.25 0.00 0.00 34.83 32.24 2gwl s MET 539 CO -0.08 -0.36 0.10 -1.17 1.05 0.00 0.00 175.02 174.56 2gwl s LEU 540 N 1.70 4.00 0.07 4.11 2.96 -0.32 -1.26 118.68 129.95 2gwl s LEU 540 Ca 0.06 0.22 0.08 0.00 -0.22 0.00 0.00 54.13 54.27 2gwl s LEU 540 Cb -0.17 -2.27 -0.03 0.00 0.50 0.00 0.00 46.19 44.22 2gwl s LEU 540 CO 0.09 0.30 -0.21 -0.36 -1.32 0.00 0.00 176.35 174.85 2gwl s PHE 541 N -1.17 2.48 0.93 5.38 0.08 -0.03 -0.96 117.98 124.69 2gwl s PHE 541 Ca 0.22 -0.30 -0.12 0.00 0.12 0.00 0.00 56.93 56.84 2gwl s PHE 541 Cb -0.12 -1.40 0.15 0.00 -0.57 0.00 0.00 43.02 41.07 2gwl s PHE 541 CO 0.13 0.26 1.12 -1.25 -0.10 0.00 0.00 175.22 175.38 2gwl s PRO 542 N -1.60 0.99 0.51 0.24 0.04 -1.26 -1.07 135.00 132.85 2gwl s PRO 542 Ca 0.15 0.39 -0.21 0.00 0.04 0.00 0.00 61.00 61.36 2gwl s PRO 542 Cb -0.10 -1.81 -0.08 0.00 0.04 0.00 0.00 34.50 32.54 2gwl s PRO 542 CO 0.06 -2.32 0.99 -2.30 0.04 0.00 0.00 177.00 173.47 2gwl n PRO 543 N -3.87 1.17 -1.56 0.56 -0.02 -1.25 -3.86 135.00 126.17 2gwl n PRO 543 Ca 0.06 0.43 0.00 0.00 -2.02 0.00 0.00 63.50 61.97 2gwl n PRO 543 Cb 0.58 -2.12 0.00 0.00 -0.02 0.00 0.00 33.50 31.95 2gwl n PRO 543 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 2gwl n ASN 544 N -0.08 -1.06 -4.74 2.55 3.02 0.99 -5.00 115.26 110.95 2gwl n ASN 544 Ca 0.11 0.00 -0.42 0.00 -0.03 0.00 0.00 54.58 54.24 2gwl n ASN 544 Cb 0.43 -0.42 -0.02 0.00 -0.61 0.00 0.00 39.78 39.16 2gwl n ASN 544 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 2gwl s THR 545 N -2.00 2.40 -0.19 3.41 2.01 -1.05 -4.66 115.64 115.55 2gwl s THR 545 Ca 0.00 0.31 -0.07 0.00 0.31 0.00 0.00 61.69 62.24 2gwl s THR 545 Cb 0.00 -3.20 -0.04 0.00 0.01 0.00 0.00 72.50 69.27 2gwl s THR 545 CO 0.00 0.04 0.06 -0.54 -0.69 0.00 0.00 174.62 173.49 2gwl s LYS 546 N 0.20 3.88 -0.08 4.92 1.02 -1.26 -0.17 119.74 128.25 2gwl s LYS 546 Ca 0.65 -0.39 0.03 0.00 0.02 0.00 0.00 55.97 56.29 2gwl s LYS 546 Cb -0.45 -3.21 0.01 0.00 -0.52 0.00 0.00 37.83 33.65 2gwl s LYS 546 CO 0.40 0.17 -0.17 -0.51 -0.92 0.00 0.00 175.35 174.31 2gwl s LEU 547 N 0.65 1.84 -0.14 3.17 1.43 0.84 -0.39 118.68 126.08 2gwl s LEU 547 Ca 0.03 -0.41 -0.12 0.00 -1.03 0.00 0.00 54.13 52.60 2gwl s LEU 547 Cb -0.13 -1.07 -0.05 0.00 0.03 0.00 0.00 46.19 44.97 2gwl s LEU 547 CO 0.02 0.10 0.26 -0.75 0.23 0.00 0.00 176.35 176.20 2gwl s LYS 548 N 0.47 4.09 -0.42 1.70 2.20 0.80 -0.91 119.74 127.67 2gwl s LYS 548 Ca -0.15 0.05 -0.24 0.00 -0.36 0.00 0.00 55.97 55.27 2gwl s LYS 548 Cb -0.16 -3.37 0.02 0.00 -1.51 0.00 0.00 37.83 32.81 2gwl s LYS 548 CO 0.06 0.38 0.81 0.42 -0.36 0.00 0.00 175.35 176.65 2gwl s ILE 549 N 0.06 4.65 -0.22 5.43 -1.09 0.05 -1.39 121.20 128.69 2gwl s ILE 549 Ca 0.16 0.66 -0.17 0.00 -2.23 0.00 0.00 60.65 59.06 2gwl s ILE 549 Cb -0.13 -4.30 -0.18 0.00 -1.58 0.00 0.00 42.46 36.27 2gwl s ILE 549 CO 0.04 -0.63 0.07 -0.62 -1.23 0.00 0.00 174.94 172.57 2gwl n GLU 550 N 6.69 0.60 -3.65 2.79 1.02 0.66 -0.90 120.64 127.84 2gwl n GLU 550 Ca 0.03 0.45 -0.14 0.00 -0.02 0.00 0.00 57.16 57.48 2gwl n GLU 550 Cb 0.48 -1.67 -0.07 0.00 -0.02 0.00 0.00 31.44 30.16 2gwl n GLU 550 CO 0.00 0.00 0.00 -1.54 1.18 0.00 0.00 177.13 176.77 2gwl s SER 551 N -7.03 -0.36 -0.10 1.62 1.04 -0.94 -4.67 113.70 103.26 2gwl s SER 551 Ca -0.31 0.24 0.04 0.00 0.48 0.00 0.00 55.95 56.40 2gwl s SER 551 Cb 0.08 0.42 -0.00 0.00 0.10 0.00 0.00 66.02 66.62 2gwl s SER 551 CO 0.59 -0.57 -0.23 -0.63 0.98 0.00 0.00 173.24 173.38 2gwl s ILE 552 N -1.67 2.19 -0.28 -1.02 1.09 -1.26 -0.48 121.20 119.77 2gwl s ILE 552 Ca -0.10 -0.98 0.02 0.00 -1.10 0.00 0.00 60.65 58.49 2gwl s ILE 552 Cb -0.02 -1.84 0.08 0.00 -1.06 0.00 0.00 42.46 39.61 2gwl s ILE 552 CO 0.04 0.56 -0.01 -0.69 -0.10 0.00 0.00 174.94 174.73 2gwl s VAL 553 N 0.28 1.77 0.51 2.92 1.01 0.11 -5.00 120.40 122.00 2gwl s VAL 553 Ca -0.16 -1.64 -0.18 0.00 0.00 0.00 0.00 61.98 60.00 2gwl s VAL 553 Cb -0.17 -2.12 -0.08 0.00 0.00 0.00 0.00 36.38 34.01 2gwl s VAL 553 CO 0.08 -0.31 1.01 0.20 0.00 0.00 0.00 175.10 176.08 2gwl s ASN 554 N 1.23 6.41 0.72 3.32 0.01 -1.26 -0.88 114.94 124.49 2gwl s ASN 554 Ca 0.00 1.74 -0.15 0.00 -0.71 0.00 0.00 52.86 53.75 2gwl s ASN 554 Cb -0.19 -2.53 0.03 0.00 0.41 0.00 0.00 41.25 38.97 2gwl s ASN 554 CO -0.09 -0.73 1.20 0.00 -1.51 0.00 0.00 177.10 175.97 2gwl n GLY 556 N 0.33 1.45 3.12 0.00 0.00 -1.26 -5.05 105.19 103.78 2gwl n GLY 556 Ca 0.13 -0.13 -0.08 0.00 0.00 0.00 0.00 46.02 45.95 2gwl n GLY 556 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2gwl s SER 557 N -2.16 0.36 0.26 1.61 1.04 -1.26 -5.05 113.70 108.50 2gwl s SER 557 Ca 0.00 -0.85 -0.04 0.00 0.48 0.00 0.00 55.95 55.53 2gwl s SER 557 Cb 0.00 0.24 0.32 0.00 0.10 0.00 0.00 66.02 66.68 2gwl s SER 557 CO 0.00 -0.62 1.91 -0.61 0.98 0.00 0.00 173.24 174.90 2gwl h GLN 558 N 3.13 1.24 -0.26 4.02 5.75 -1.98 -1.36 115.11 125.65 2gwl h GLN 558 Ca -0.34 -0.07 0.06 0.00 -0.15 0.00 0.00 58.65 58.14 2gwl h GLN 558 Cb 1.16 -0.28 -0.06 0.00 1.07 0.00 0.00 27.48 29.38 2gwl h GLN 558 CO 0.61 0.82 -0.11 0.22 -2.65 0.00 0.00 178.83 177.72 2gwl h ASP 559 N 1.27 -0.37 -0.35 -0.69 3.58 -1.97 -0.24 116.42 117.66 2gwl h ASP 559 Ca 0.40 0.09 0.00 0.00 0.42 0.00 0.00 57.03 57.94 2gwl h ASP 559 Cb -0.01 0.21 -0.02 0.00 1.72 0.00 0.00 39.33 41.23 2gwl h ASP 559 CO -0.12 -0.14 0.22 0.15 -2.88 0.00 0.00 179.24 176.47 2gwl h PHE 560 N -0.07 0.45 -0.98 0.28 3.57 -1.76 0.27 116.94 118.70 2gwl h PHE 560 Ca 0.13 0.00 0.04 0.00 3.53 0.00 0.00 57.97 61.68 2gwl h PHE 560 Cb 0.27 -0.15 -0.06 0.00 2.79 0.00 0.00 35.95 38.80 2gwl h PHE 560 CO -0.29 0.31 0.64 0.00 -2.23 0.00 0.00 178.31 176.73 2gwl h ALA 561 N 1.11 1.31 -0.06 2.41 0.00 -0.93 0.10 119.26 123.20 2gwl h ALA 561 Ca 0.13 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 54.97 2gwl h ALA 561 Cb -0.02 -0.33 -0.00 0.00 0.00 0.00 0.00 17.79 17.43 2gwl h ALA 561 CO -0.03 0.50 -0.06 1.03 0.00 0.00 0.00 179.25 180.70 2gwl h SER 562 N 1.21 0.15 -0.94 0.00 0.87 -0.75 -2.10 113.55 111.99 2gwl h SER 562 Ca 0.40 -0.49 -0.00 0.00 -1.23 0.00 0.00 61.79 60.46 2gwl h SER 562 Cb 0.04 -0.04 -0.05 0.00 -0.44 0.00 0.00 62.40 61.91 2gwl h SER 562 CO -0.14 0.61 0.58 1.56 -0.53 0.00 0.00 176.83 178.91 2gwl h GLN 563 N -0.31 1.27 -0.56 2.24 4.20 -0.68 -2.76 115.11 118.51 2gwl h GLN 563 Ca 0.01 -0.11 -0.07 0.00 0.06 0.00 0.00 58.65 58.54 2gwl h GLN 563 Cb 0.57 -0.27 -0.02 0.00 0.30 0.00 0.00 27.48 28.06 2gwl h GLN 563 CO 0.01 0.88 0.05 1.25 -0.67 0.00 0.00 178.83 180.35 2gwl h LEU 564 N 1.29 0.88 -2.16 1.46 5.85 -0.82 -2.54 115.31 119.28 2gwl h LEU 564 Ca 0.34 -0.21 0.00 0.00 0.84 0.00 0.00 57.88 58.85 2gwl h LEU 564 Cb -0.07 -0.23 0.00 0.00 0.37 0.00 0.00 40.66 40.73 2gwl h LEU 564 CO -0.07 0.91 0.00 0.77 -0.34 0.00 0.00 178.44 179.72 2gwl h SER 565 N 0.86 0.00 -0.09 1.25 4.64 -1.11 -1.66 113.55 117.44 2gwl h SER 565 Ca 0.17 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.49 2gwl h SER 565 Cb 0.44 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.53 2gwl h SER 565 CO 0.02 0.00 0.00 0.29 -0.87 0.00 0.00 176.83 176.27 2gwl n LYS 566 N -3.08 1.97 -3.76 4.77 5.02 -0.96 -4.87 118.16 117.25 2gwl n LYS 566 Ca -0.01 -1.42 -0.30 0.00 -2.02 0.00 0.00 58.31 54.55 2gwl n LYS 566 Cb 0.20 -1.46 -0.04 0.00 -0.02 0.00 0.00 35.03 33.70 2gwl n LYS 566 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 2gwl s LEU 567 N -1.87 4.29 -0.24 -0.35 1.43 -0.63 -5.08 118.68 116.24 2gwl s LEU 567 Ca 0.34 0.45 -0.15 0.00 -1.03 0.00 0.00 54.13 53.74 2gwl s LEU 567 Cb 0.20 -3.17 -0.04 0.00 0.03 0.00 0.00 46.19 43.21 2gwl s LEU 567 CO 0.31 0.07 0.35 -0.60 0.23 0.00 0.00 176.35 176.71 2gwl s ARG 568 N -2.75 4.08 0.05 1.70 3.52 -1.26 -5.01 118.95 119.28 2gwl s ARG 568 Ca 0.39 0.06 0.03 0.00 -0.13 0.00 0.00 55.73 56.07 2gwl s ARG 568 Cb -0.12 -3.60 -0.04 0.00 -1.56 0.00 0.00 34.95 29.63 2gwl s ARG 568 CO 0.27 -0.15 0.01 -0.51 -0.81 0.00 0.00 175.30 174.11 2gwl s LEU 569 N 1.66 3.54 0.20 -0.88 1.43 -1.26 -0.43 118.68 122.94 2gwl s LEU 569 Ca 0.15 -0.07 -0.32 0.00 -1.03 0.00 0.00 54.13 52.86 2gwl s LEU 569 Cb -0.15 -2.17 -0.15 0.00 0.03 0.00 0.00 46.19 43.76 2gwl s LEU 569 CO 0.09 0.22 1.30 -1.54 0.23 0.00 0.00 176.35 176.64 2gwl n SER 570 N 0.91 2.07 -2.26 2.29 3.41 0.11 -4.81 113.62 115.34 2gwl n SER 570 Ca -0.12 1.14 -0.27 0.00 -0.26 0.00 0.00 58.87 59.36 2gwl n SER 570 Cb 0.52 -1.32 0.02 0.00 -0.26 0.00 0.00 64.21 63.17 2gwl n SER 570 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 2gwl n ASP 571 N 2.15 5.15 -3.95 4.04 2.03 -1.26 -4.77 116.55 119.94 2gwl n ASP 571 Ca 0.14 -3.75 -0.30 0.00 0.52 0.00 0.00 54.79 51.40 2gwl n ASP 571 Cb 0.28 -0.46 0.23 0.00 -0.72 0.00 0.00 41.12 40.45 2gwl n ASP 571 CO 0.00 0.00 0.00 1.51 -1.92 0.00 0.00 177.20 176.79 2gwl s ASP 572 N -3.35 1.27 0.60 1.67 1.47 -1.26 -4.83 116.67 112.24 2gwl s ASP 572 Ca 0.51 0.68 0.29 0.00 1.18 0.00 0.00 52.55 55.20 2gwl s ASP 572 Cb 0.41 -0.96 1.50 0.00 -0.34 0.00 0.00 42.92 43.53 2gwl s ASP 572 CO -0.07 -3.91 1.91 0.00 0.68 0.00 0.00 175.17 173.78 2gwl h ALA 573 N -2.44 2.07 0.00 2.11 0.00 -2.07 -1.22 119.26 117.72 2gwl h ALA 573 Ca -0.46 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.42 2gwl h ALA 573 Cb 1.30 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 19.09 2gwl h ALA 573 CO 0.38 -0.64 -0.29 0.25 0.00 0.00 0.00 179.25 178.94 2gwl n THR 574 N -3.64 1.73 -2.05 0.00 -2.24 -1.26 -5.06 114.28 101.75 2gwl n THR 574 Ca 0.07 -2.37 -0.42 0.00 -2.27 0.00 0.00 64.05 59.07 2gwl n THR 574 Cb 0.61 -0.10 -0.03 0.00 -2.10 0.00 0.00 70.33 68.72 2gwl n THR 574 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2gwl s ALA 575 N -2.59 3.63 -0.28 6.98 0.00 -0.46 -5.00 121.76 124.04 2gwl s ALA 575 Ca 0.32 1.28 0.01 0.00 0.00 0.00 0.00 51.96 53.56 2gwl s ALA 575 Cb 0.30 -3.55 0.16 0.00 0.00 0.00 0.00 23.12 20.03 2gwl s ALA 575 CO -0.02 -0.70 0.45 0.34 0.00 0.00 0.00 175.76 175.83 2gwl s ASP 576 N 0.59 -0.16 0.56 0.00 2.15 -1.26 -4.97 116.67 113.57 2gwl s ASP 576 Ca 0.61 -0.01 0.37 0.00 0.43 0.00 0.00 52.55 53.95 2gwl s ASP 576 Cb -0.41 1.37 1.79 0.00 -0.30 0.00 0.00 42.92 45.37 2gwl s ASP 576 CO 0.39 -0.32 2.10 0.71 -0.17 0.00 0.00 175.17 177.88 2gwl h THR 577 N 6.12 0.00 0.00 1.71 1.35 -1.96 -1.70 112.91 118.43 2gwl h THR 577 Ca -0.12 -0.22 0.00 0.00 -0.55 0.00 0.00 66.41 65.52 2gwl h THR 577 Cb 1.14 1.15 0.00 0.00 -1.73 0.00 0.00 68.15 68.71 2gwl h THR 577 CO 0.25 0.00 0.00 0.59 -0.25 0.00 0.00 175.52 176.11 2gwl n ASN 578 N -2.94 0.64 0.05 5.36 3.02 -1.26 -1.79 115.26 118.34 2gwl n ASN 578 Ca -0.01 0.73 0.11 0.00 -0.03 0.00 0.00 54.58 55.38 2gwl n ASN 578 Cb 0.17 -0.84 0.45 0.00 -0.61 0.00 0.00 39.78 38.96 2gwl n ASN 578 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 2gwl n ARG 579 N -2.29 0.09 -2.52 3.52 1.74 -0.64 -4.84 116.66 111.71 2gwl n ARG 579 Ca 0.00 0.21 -0.43 0.00 -0.77 0.00 0.00 57.85 56.86 2gwl n ARG 579 Cb 0.13 -1.63 -0.02 0.00 -1.02 0.00 0.00 32.46 29.91 2gwl n ARG 579 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 2gwl s ILE 580 N -3.08 4.43 -0.13 0.55 1.01 -0.74 -4.20 121.20 119.03 2gwl s ILE 580 Ca 0.09 1.73 0.06 0.00 0.00 0.00 0.00 60.65 62.53 2gwl s ILE 580 Cb 0.13 -4.11 -0.23 0.00 0.01 0.00 0.00 42.46 38.25 2gwl s ILE 580 CO 0.43 -0.07 0.31 1.17 0.00 0.00 0.00 174.94 176.78 2gwl n LYS 581 N 5.75 0.69 -3.50 2.79 4.81 0.61 -4.69 118.16 124.62 2gwl n LYS 581 Ca 0.12 0.20 -0.17 0.00 -0.87 0.00 0.00 58.31 57.59 2gwl n LYS 581 Cb 0.46 -1.67 -0.05 0.00 0.02 0.00 0.00 35.03 33.79 2gwl n LYS 581 CO 0.00 0.00 0.00 -0.98 1.17 0.00 0.00 177.40 177.59 2gwl s ARG 582 N -2.55 1.10 -0.12 1.64 1.70 -0.76 -0.40 118.95 119.56 2gwl s ARG 582 Ca -0.16 0.12 -0.02 0.00 -0.47 0.00 0.00 55.73 55.19 2gwl s ARG 582 Cb 0.07 0.52 -0.03 0.00 -0.57 0.00 0.00 34.95 34.94 2gwl s ARG 582 CO 0.77 -0.37 -0.02 0.42 -1.08 0.00 0.00 175.30 175.01 2gwl s ILE 583 N -1.69 4.05 -0.20 4.99 1.01 -0.06 -1.35 121.20 127.96 2gwl s ILE 583 Ca -0.09 -0.32 -0.01 0.00 0.00 0.00 0.00 60.65 60.23 2gwl s ILE 583 Cb -0.00 -2.73 0.01 0.00 0.01 0.00 0.00 42.46 39.75 2gwl s ILE 583 CO 0.05 0.55 -0.14 -0.63 0.00 0.00 0.00 174.94 174.77 2gwl s ILE 584 N -0.28 2.51 -0.24 2.92 1.01 0.17 0.04 121.20 127.33 2gwl s ILE 584 Ca 0.05 -0.80 -0.19 0.00 0.00 0.00 0.00 60.65 59.71 2gwl s ILE 584 Cb -0.12 -2.10 -0.03 0.00 0.01 0.00 0.00 42.46 40.22 2gwl s ILE 584 CO 0.02 0.49 0.55 0.20 0.00 0.00 0.00 174.94 176.20 2gwl s ASN 585 N 1.35 6.52 0.22 3.58 0.01 0.37 -0.90 114.94 126.09 2gwl s ASN 585 Ca 0.05 0.63 0.02 0.00 -0.71 0.00 0.00 52.86 52.85 2gwl s ASN 585 Cb -0.14 -2.30 -0.05 0.00 0.41 0.00 0.00 41.25 39.17 2gwl s ASN 585 CO -0.10 -0.27 0.02 -0.04 -1.51 0.00 0.00 177.10 175.20 2gwl s MET 586 N 2.14 1.27 -0.03 -0.60 -1.94 0.28 -0.24 119.30 120.18 2gwl s MET 586 Ca 0.24 -1.65 -0.00 0.00 -1.71 0.00 0.00 55.69 52.57 2gwl s MET 586 Cb -0.16 -0.41 0.03 0.00 2.01 0.00 0.00 34.83 36.30 2gwl s MET 586 CO 0.09 -0.15 0.02 0.50 -0.01 0.00 0.00 175.02 175.46 2gwl s ARG 587 N -3.92 0.16 0.06 2.03 3.52 -0.48 -0.91 118.95 119.41 2gwl s ARG 587 Ca 0.29 0.14 -0.31 0.00 -0.13 0.00 0.00 55.73 55.73 2gwl s ARG 587 Cb 0.06 -0.43 -0.07 0.00 -1.56 0.00 0.00 34.95 32.96 2gwl s ARG 587 CO 0.08 -0.17 1.39 0.08 -0.81 0.00 0.00 175.30 175.86 2gwl s VAL 588 N 1.20 3.54 -0.41 7.11 1.01 -0.17 -0.14 120.40 132.53 2gwl s VAL 588 Ca -0.07 1.04 -0.17 0.00 0.00 0.00 0.00 61.98 62.77 2gwl s VAL 588 Cb -0.13 -3.67 0.02 0.00 0.00 0.00 0.00 36.38 32.60 2gwl s VAL 588 CO -0.02 0.04 0.43 -0.76 0.00 0.00 0.00 175.10 174.78 2gwl s LEU 589 N 1.70 4.81 0.65 3.92 1.43 0.48 -4.49 118.68 127.18 2gwl s LEU 589 Ca 0.64 -0.62 -0.11 0.00 -1.03 0.00 0.00 54.13 53.01 2gwl s LEU 589 Cb -0.34 -2.38 -0.02 0.00 0.03 0.00 0.00 46.19 43.48 2gwl s LEU 589 CO 0.29 -0.55 1.04 0.20 0.23 0.00 0.00 176.35 177.56 2gwl s ASN 590 N 1.80 5.97 0.00 2.29 0.01 -1.26 -4.46 114.94 119.28 2gwl s ASN 590 Ca 0.12 1.43 0.00 0.00 -0.71 0.00 0.00 52.86 53.70 2gwl s ASN 590 Cb -0.17 -2.42 0.00 0.00 0.41 0.00 0.00 41.25 39.07 2gwl s ASN 590 CO 0.13 -1.04 0.00 -0.24 -1.51 0.00 0.00 177.10 174.44