#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hch n LYS 379 N 0.00 0.79 -4.86 -3.48 4.81 -0.66 -5.04 118.16 109.73 3hch n LYS 379 Ca 0.00 -1.44 -0.33 0.00 -0.87 0.00 0.00 58.31 55.68 3hch n LYS 379 Cb 0.00 -0.25 -0.16 0.00 0.02 0.00 0.00 35.03 34.64 3hch n LYS 379 CO 0.00 0.00 0.00 0.21 1.17 0.00 0.00 177.40 178.78 3hch s LYS 380 N 0.15 3.18 1.04 1.64 2.20 -1.26 -4.23 119.74 122.47 3hch s LYS 380 Ca 0.17 -0.79 -0.12 0.00 -0.36 0.00 0.00 55.97 54.87 3hch s LYS 380 Cb 0.28 -2.49 0.21 0.00 -1.51 0.00 0.00 37.83 34.32 3hch s LYS 380 CO -0.08 0.13 1.07 -2.14 -0.36 0.00 0.00 175.35 173.97 3hch s PRO 381 N 0.52 0.08 0.61 4.03 0.02 -1.26 -5.01 135.00 133.99 3hch s PRO 381 Ca -0.12 0.90 -0.17 0.00 0.02 0.00 0.00 61.00 61.63 3hch s PRO 381 Cb -0.16 -1.67 -0.02 0.00 0.02 0.00 0.00 34.50 32.67 3hch s PRO 381 CO 0.05 -3.07 1.14 -1.54 -0.33 0.00 0.00 177.00 173.25 3hch s SER 382 N -2.90 5.26 0.43 2.53 1.04 -1.26 -4.86 113.70 113.94 3hch s SER 382 Ca 0.66 2.15 0.15 0.00 0.48 0.00 0.00 55.95 59.40 3hch s SER 382 Cb -0.22 -2.57 1.05 0.00 0.10 0.00 0.00 66.02 64.38 3hch s SER 382 CO 0.61 -1.53 1.94 -0.78 0.98 0.00 0.00 173.24 174.45 3hch h ASP 383 N 0.55 0.38 -0.34 7.02 3.58 -1.99 -1.92 116.42 123.70 3hch h ASP 383 Ca -0.49 0.02 -0.11 0.00 0.42 0.00 0.00 57.03 56.87 3hch h ASP 383 Cb 1.26 -0.06 -0.01 0.00 1.72 0.00 0.00 39.33 42.25 3hch h ASP 383 CO 0.55 0.21 -0.21 0.00 -2.88 0.00 0.00 179.24 176.91 3hch h ALA 384 N 1.66 0.48 -0.66 -0.78 0.00 -1.99 0.63 119.26 118.60 3hch h ALA 384 Ca 0.34 -0.37 0.05 0.00 0.00 0.00 0.00 54.91 54.93 3hch h ALA 384 Cb 0.75 -0.11 -0.05 0.00 0.00 0.00 0.00 17.79 18.38 3hch h ALA 384 CO -0.10 0.44 0.38 1.49 0.00 0.00 0.00 179.25 181.45 3hch h GLU 385 N 0.51 0.68 -0.68 0.00 4.81 -1.81 -2.78 114.58 115.31 3hch h GLU 385 Ca 0.07 -0.04 -0.07 0.00 -0.13 0.00 0.00 59.36 59.18 3hch h GLU 385 Cb 0.76 -0.15 -0.03 0.00 0.63 0.00 0.00 28.75 29.96 3hch h GLU 385 CO 0.06 0.45 0.14 -0.07 -0.73 0.00 0.00 179.01 178.86 3hch h LEU 386 N 0.70 1.06 -1.55 1.64 3.38 -1.03 -2.12 115.31 117.39 3hch h LEU 386 Ca 0.29 -0.25 0.11 0.00 0.09 0.00 0.00 57.88 58.13 3hch h LEU 386 Cb 0.15 -0.28 -0.04 0.00 0.09 0.00 0.00 40.66 40.58 3hch h LEU 386 CO -0.17 1.03 0.46 0.50 0.09 0.00 0.00 178.44 180.36 3hch h LYS 387 N 1.04 0.48 0.00 1.13 1.63 -0.72 0.25 116.57 120.37 3hch h LYS 387 Ca 0.21 -0.03 0.00 0.00 -0.85 0.00 0.00 60.65 59.98 3hch h LYS 387 Cb 0.41 -0.11 0.00 0.00 -0.60 0.00 0.00 32.23 31.93 3hch h LYS 387 CO 0.01 0.32 -0.90 0.54 -3.45 0.00 0.00 179.45 175.97 3hch n ARG 388 N -4.48 0.17 -0.01 1.90 5.12 -1.04 -4.38 116.66 113.94 3hch n ARG 388 Ca 0.12 -0.00 0.08 0.00 -1.93 0.00 0.00 57.85 56.11 3hch n ARG 388 Cb 0.41 -1.55 -0.11 0.00 -1.16 0.00 0.00 32.46 30.04 3hch n ARG 388 CO 0.00 0.00 0.00 0.25 -1.93 0.00 0.00 177.63 175.95 3hch n THR 389 N -1.76 0.00 -4.09 0.55 -2.24 -0.83 -5.00 114.28 100.92 3hch n THR 389 Ca 0.03 -0.30 -0.26 0.00 -2.27 0.00 0.00 64.05 61.25 3hch n THR 389 Cb 0.39 0.35 -0.05 0.00 -2.10 0.00 0.00 70.33 68.92 3hch n THR 389 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 3hch s LEU 390 N -3.74 3.81 0.85 3.22 1.43 0.02 -5.08 118.68 119.19 3hch s LEU 390 Ca -0.03 -0.14 -0.11 0.00 -1.03 0.00 0.00 54.13 52.82 3hch s LEU 390 Cb 0.10 -2.41 0.10 0.00 0.03 0.00 0.00 46.19 44.02 3hch s LEU 390 CO 0.63 0.06 1.09 0.42 0.23 0.00 0.00 176.35 178.78 3hch s THR 391 N -1.80 2.89 0.25 5.49 -4.23 -1.26 -4.77 115.64 112.21 3hch s THR 391 Ca 0.31 0.29 -0.04 0.00 -1.18 0.00 0.00 61.69 61.07 3hch s THR 391 Cb -0.10 -2.73 0.22 0.00 1.34 0.00 0.00 72.50 71.23 3hch s THR 391 CO 0.24 -0.38 1.77 -0.08 -0.54 0.00 0.00 174.62 175.63 3hch h GLU 392 N -1.42 0.60 -0.22 3.99 4.57 -1.98 0.50 114.58 120.62 3hch h GLU 392 Ca -0.47 -0.04 -0.04 0.00 -1.18 0.00 0.00 59.36 57.63 3hch h GLU 392 Cb 1.26 -0.14 -0.01 0.00 -0.16 0.00 0.00 28.75 29.71 3hch h GLU 392 CO 0.52 0.40 -0.02 0.93 -1.18 0.00 0.00 179.01 179.66 3hch h GLU 393 N 0.62 0.41 -0.63 1.92 4.39 -1.97 -0.23 114.58 119.09 3hch h GLU 393 Ca 0.41 -0.14 0.00 0.00 0.34 0.00 0.00 59.36 59.97 3hch h GLU 393 Cb 0.52 -0.03 -0.03 0.00 -0.10 0.00 0.00 28.75 29.11 3hch h GLU 393 CO -0.32 0.62 0.41 1.96 -1.16 0.00 0.00 179.01 180.52 3hch h GLN 394 N 0.16 0.84 0.44 2.33 4.20 -1.62 -1.81 115.11 119.65 3hch h GLN 394 Ca 0.06 -0.06 -0.02 0.00 0.06 0.00 0.00 58.65 58.69 3hch h GLN 394 Cb 0.45 -0.19 0.00 0.00 0.30 0.00 0.00 27.48 28.05 3hch h GLN 394 CO 0.02 0.57 -0.21 -0.92 -0.67 0.00 0.00 178.83 177.61 3hch h TYR 395 N 0.86 -0.55 -0.68 2.96 3.20 -0.87 -0.39 116.97 121.49 3hch h TYR 395 Ca 0.23 -0.01 -0.03 0.00 3.14 0.00 0.00 58.73 62.05 3hch h TYR 395 Cb -0.08 0.18 -0.03 0.00 1.54 0.00 0.00 36.73 38.34 3hch h TYR 395 CO -0.03 -0.31 0.29 1.96 -1.64 0.00 0.00 178.16 178.44 3hch h GLN 396 N -0.65 1.01 0.19 1.82 1.08 -0.92 0.09 115.11 117.73 3hch h GLN 396 Ca -0.06 -0.17 -0.01 0.00 -1.45 0.00 0.00 58.65 56.96 3hch h GLN 396 Cb 0.49 -0.17 0.00 0.00 -0.05 0.00 0.00 27.48 27.75 3hch h GLN 396 CO 0.10 0.82 -0.09 0.28 -0.95 0.00 0.00 178.83 178.99 3hch h VAL 397 N 0.96 0.90 -0.04 -0.54 2.07 -1.36 -1.33 116.25 116.91 3hch h VAL 397 Ca 0.23 -0.81 -0.22 0.00 0.82 0.00 0.00 66.70 66.72 3hch h VAL 397 Cb 0.18 1.35 0.00 0.00 -1.52 0.00 0.00 31.29 31.30 3hch h VAL 397 CO -0.02 0.17 -0.87 0.71 0.02 0.00 0.00 177.57 177.58 3hch h THR 398 N -0.69 1.38 0.01 2.57 1.35 -1.00 -1.52 112.91 115.02 3hch h THR 398 Ca -0.03 -2.31 -0.34 0.00 -0.55 0.00 0.00 66.41 63.18 3hch h THR 398 Cb 0.49 2.29 -0.06 0.00 -1.73 0.00 0.00 68.15 69.14 3hch h THR 398 CO 0.04 0.69 -2.10 0.00 -0.25 0.00 0.00 175.52 173.90 3hch n GLN 399 N -3.79 0.67 -0.11 4.72 1.13 0.01 -0.83 117.38 119.18 3hch n GLN 399 Ca -0.06 0.15 0.05 0.00 -1.94 0.00 0.00 57.00 55.19 3hch n GLN 399 Cb 0.79 -1.64 0.11 0.00 0.11 0.00 0.00 30.24 29.61 3hch n GLN 399 CO 0.00 0.00 0.00 0.09 -1.44 0.00 0.00 177.06 175.71 3hch n ASN 400 N -2.97 2.55 -3.15 1.08 3.02 -0.59 -4.98 115.26 110.21 3hch n ASN 400 Ca -0.28 -1.85 -0.22 0.00 -0.03 0.00 0.00 54.58 52.20 3hch n ASN 400 Cb 1.09 -0.15 0.01 0.00 -0.61 0.00 0.00 39.78 40.12 3hch n ASN 400 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 3hch n SER 401 N 0.40 -4.67 -4.55 6.41 7.64 -0.57 -4.92 113.62 113.36 3hch n SER 401 Ca 0.09 -0.30 -0.41 0.00 1.01 0.00 0.00 58.87 59.26 3hch n SER 401 Cb 0.36 -3.83 -0.03 0.00 -1.01 0.00 0.00 64.21 59.70 3hch n SER 401 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3hch s ALA 402 N -3.00 2.73 -0.12 -0.43 0.00 -0.65 -4.94 121.76 115.34 3hch s ALA 402 Ca 0.33 -1.45 -0.37 0.00 0.00 0.00 0.00 51.96 50.47 3hch s ALA 402 Cb -0.16 -4.29 -0.14 0.00 0.00 0.00 0.00 23.12 18.52 3hch s ALA 402 CO 0.41 -3.34 1.72 2.41 0.00 0.00 0.00 175.76 176.96 3hch n THR 403 N 6.46 0.33 -1.60 0.00 -1.04 -1.26 -4.14 114.28 113.03 3hch n THR 403 Ca 0.07 -0.06 -0.34 0.00 -2.04 0.00 0.00 64.05 61.67 3hch n THR 403 Cb 0.49 -1.43 0.07 0.00 -1.82 0.00 0.00 70.33 67.65 3hch n THR 403 CO 0.00 0.00 0.00 -1.83 -0.64 0.00 0.00 175.07 172.60 3hch s GLU 404 N 3.07 2.41 0.32 -2.82 -1.05 -1.26 -4.96 118.70 114.42 3hch s GLU 404 Ca 0.93 1.69 -0.29 0.00 -0.15 0.00 0.00 54.97 57.15 3hch s GLU 404 Cb -0.88 -1.87 -0.11 0.00 -0.44 0.00 0.00 34.13 30.82 3hch s GLU 404 CO 0.56 -1.61 1.55 0.71 0.95 0.00 0.00 175.26 177.42 3hch s TYR 405 N -2.00 2.69 0.28 4.83 2.02 -1.26 -4.93 117.35 118.99 3hch s TYR 405 Ca 0.73 0.94 -0.29 0.00 -0.37 0.00 0.00 57.07 58.08 3hch s TYR 405 Cb -0.27 -4.05 -0.14 0.00 -0.40 0.00 0.00 41.96 37.10 3hch s TYR 405 CO 0.42 -3.34 1.16 0.00 -1.57 0.00 0.00 175.55 172.23 3hch n ALA 406 N 1.50 0.31 -0.94 3.71 0.00 -1.26 -1.82 120.51 122.02 3hch n ALA 406 Ca 0.05 0.39 0.00 0.00 0.00 0.00 0.00 53.44 53.89 3hch n ALA 406 Cb 0.38 -2.12 0.00 0.00 0.00 0.00 0.00 19.45 17.71 3hch n ALA 406 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 3hch n PHE 407 N 0.66 0.00 0.08 0.00 3.72 0.12 -4.90 117.46 117.13 3hch n PHE 407 Ca 0.09 0.00 0.09 0.00 -0.05 0.00 0.00 57.45 57.58 3hch n PHE 407 Cb 0.32 -0.79 -0.04 0.00 -0.94 0.00 0.00 39.48 38.03 3hch n PHE 407 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 176.76 175.58 3hch n SER 408 N -0.30 0.74 -4.85 4.37 3.41 -0.76 -4.91 113.62 111.31 3hch n SER 408 Ca 0.00 0.29 -0.32 0.00 -0.26 0.00 0.00 58.87 58.58 3hch n SER 408 Cb 0.15 0.60 -0.05 0.00 -0.26 0.00 0.00 64.21 64.65 3hch n SER 408 CO 0.00 0.00 0.00 -2.28 -0.16 0.00 0.00 175.04 172.60 3hch s HIS 409 N -3.30 3.38 0.57 7.33 5.65 -1.26 -4.99 115.29 122.67 3hch s HIS 409 Ca -0.02 0.21 0.38 0.00 0.25 0.00 0.00 55.06 55.89 3hch s HIS 409 Cb 0.10 -1.73 2.09 0.00 -1.18 0.00 0.00 32.58 31.86 3hch s HIS 409 CO 0.81 0.57 2.28 0.93 -0.65 0.00 0.00 174.74 178.68 3hch h GLU 410 N 3.50 0.00 0.00 2.88 3.07 -1.97 -1.82 114.58 120.23 3hch h GLU 410 Ca -0.47 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.39 3hch h GLU 410 Cb 1.17 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.08 3hch h GLU 410 CO 0.69 0.01 0.00 1.88 -1.40 0.00 0.00 179.01 180.19 3hch h TYR 411 N 0.00 0.00 -0.03 4.33 0.05 -1.94 -2.95 116.97 116.43 3hch h TYR 411 Ca -0.00 0.00 0.01 0.00 0.05 0.00 0.00 58.73 58.79 3hch h TYR 411 Cb 0.08 0.00 -0.00 0.00 1.01 0.00 0.00 36.73 37.82 3hch h TYR 411 CO 0.00 0.00 0.03 0.22 -1.05 0.00 0.00 178.16 177.36 3hch h ASP 412 N 0.00 0.00 -0.00 3.88 3.58 -1.65 -3.04 116.42 119.19 3hch h ASP 412 Ca 0.00 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.45 3hch h ASP 412 Cb 0.78 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.83 3hch h ASP 412 CO 0.00 0.00 -0.57 1.41 -2.88 0.00 0.00 179.24 177.20 3hch n HIS 413 N -4.18 0.00 -3.03 0.28 8.25 -1.13 -4.79 115.22 110.62 3hch n HIS 413 Ca -0.02 0.00 -0.40 0.00 -0.26 0.00 0.00 57.72 57.03 3hch n HIS 413 Cb 0.12 0.00 -0.05 0.00 1.12 0.00 0.00 29.99 31.18 3hch n HIS 413 CO 0.00 0.00 0.00 -1.17 0.64 0.00 0.00 176.34 175.81 3hch s LEU 414 N -2.48 4.21 -0.35 2.41 2.96 -1.13 -4.97 118.68 119.33 3hch s LEU 414 Ca 0.07 1.05 0.15 0.00 -0.22 0.00 0.00 54.13 55.18 3hch s LEU 414 Cb 0.11 -3.05 0.42 0.00 0.50 0.00 0.00 46.19 44.17 3hch s LEU 414 CO 0.52 -0.26 0.90 0.49 -1.32 0.00 0.00 176.35 176.68 3hch n PHE 415 N 4.68 1.05 -4.08 5.38 3.72 -1.26 -4.99 117.46 121.96 3hch n PHE 415 Ca 0.00 -3.12 -0.26 0.00 -0.05 0.00 0.00 57.45 54.03 3hch n PHE 415 Cb 0.50 -0.38 -0.05 0.00 -0.94 0.00 0.00 39.48 38.61 3hch n PHE 415 CO 0.00 0.00 0.00 0.15 -0.05 0.00 0.00 176.76 176.86 3hch s LYS 416 N -2.95 2.94 0.23 -1.08 1.02 -1.26 -5.09 119.74 113.55 3hch s LYS 416 Ca 0.32 -0.88 -0.30 0.00 0.02 0.00 0.00 55.97 55.14 3hch s LYS 416 Cb 0.42 -2.66 -0.09 0.00 -0.52 0.00 0.00 37.83 34.99 3hch s LYS 416 CO -0.01 0.47 1.25 -1.25 -0.92 0.00 0.00 175.35 174.90 3hch s PRO 417 N -3.22 4.44 0.00 -1.68 0.04 -1.26 -4.77 135.00 128.56 3hch s PRO 417 Ca 0.31 2.00 0.00 0.00 0.04 0.00 0.00 61.00 63.35 3hch s PRO 417 Cb -0.10 -3.19 0.00 0.00 0.04 0.00 0.00 34.50 31.25 3hch s PRO 417 CO 0.24 -0.14 0.00 0.41 0.04 0.00 0.00 177.00 177.55 3hch n GLY 418 N 1.93 -1.33 3.25 0.56 0.00 -1.26 -0.74 105.19 107.59 3hch n GLY 418 Ca 0.04 -1.23 -0.19 0.00 0.00 0.00 0.00 46.02 44.64 3hch n GLY 418 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 3hch s ILE 419 N -3.00 1.41 -0.17 -0.61 -4.36 -0.85 -0.86 121.20 112.76 3hch s ILE 419 Ca 0.00 -1.66 -0.04 0.00 -0.26 0.00 0.00 60.65 58.69 3hch s ILE 419 Cb 0.00 -1.51 -0.02 0.00 1.25 0.00 0.00 42.46 42.18 3hch s ILE 419 CO 0.00 -0.33 -0.04 -0.31 0.24 0.00 0.00 174.94 174.50 3hch s TYR 420 N -1.87 2.99 0.23 1.37 1.51 0.11 -0.11 117.35 121.57 3hch s TYR 420 Ca 0.08 -0.48 0.11 0.00 -1.01 0.00 0.00 57.07 55.77 3hch s TYR 420 Cb -0.06 -1.99 -0.05 0.00 -0.11 0.00 0.00 41.96 39.75 3hch s TYR 420 CO 0.04 -0.18 -0.18 0.14 -1.11 0.00 0.00 175.55 174.25 3hch s VAL 421 N 0.68 2.62 0.17 0.71 -7.23 0.08 -0.74 120.40 116.70 3hch s VAL 421 Ca -0.02 -2.09 -0.32 0.00 -1.81 0.00 0.00 61.98 57.74 3hch s VAL 421 Cb -0.15 -2.32 -0.11 0.00 0.56 0.00 0.00 36.38 34.37 3hch s VAL 421 CO 0.02 -0.23 1.69 -0.62 -0.31 0.00 0.00 175.10 175.65 3hch s ASP 422 N -3.07 6.46 0.51 4.85 -1.08 0.34 -0.15 116.67 124.54 3hch s ASP 422 Ca 0.25 2.75 0.34 0.00 -0.52 0.00 0.00 52.55 55.38 3hch s ASP 422 Cb -0.07 -2.59 1.66 0.00 -1.46 0.00 0.00 42.92 40.46 3hch s ASP 422 CO 0.13 -0.93 2.03 -0.37 0.52 0.00 0.00 175.17 176.56 3hch h VAL 423 N 4.06 0.00 0.00 1.11 -1.51 -1.85 0.71 116.25 118.77 3hch h VAL 423 Ca -0.43 -0.21 -0.07 0.00 -1.23 0.00 0.00 66.70 64.76 3hch h VAL 423 Cb 1.20 1.09 -0.01 0.00 -2.13 0.00 0.00 31.29 31.44 3hch h VAL 423 CO 0.94 0.00 -0.86 0.52 -1.23 0.00 0.00 177.57 176.94 3hch n VAL 424 N -2.83 1.46 0.37 7.19 0.31 -1.26 -4.60 118.33 118.97 3hch n VAL 424 Ca -0.01 0.12 0.12 0.00 -0.01 0.00 0.00 64.34 64.56 3hch n VAL 424 Cb 0.17 -2.29 0.06 0.00 -0.91 0.00 0.00 33.84 30.86 3hch n VAL 424 CO 0.00 0.00 0.00 -1.54 -1.32 0.00 0.00 176.83 173.97 3hch n SER 425 N -4.53 0.71 -0.59 4.52 3.41 -1.25 -4.96 113.62 110.93 3hch n SER 425 Ca -0.16 0.11 -0.08 0.00 -0.26 0.00 0.00 58.87 58.49 3hch n SER 425 Cb 0.42 0.50 -0.03 0.00 -0.26 0.00 0.00 64.21 64.84 3hch n SER 425 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3hch n GLY 426 N 1.28 0.88 3.76 5.00 0.00 0.24 -4.98 105.19 111.38 3hch n GLY 426 Ca 0.01 -0.23 -0.40 0.00 0.00 0.00 0.00 46.02 45.41 3hch n GLY 426 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 3hch s GLU 427 N -2.34 4.69 0.13 1.61 -1.05 -1.26 -4.62 118.70 115.87 3hch s GLU 427 Ca 0.00 1.70 -0.31 0.00 -0.15 0.00 0.00 54.97 56.21 3hch s GLU 427 Cb 0.00 -3.20 -0.09 0.00 -0.44 0.00 0.00 34.13 30.40 3hch s GLU 427 CO 0.00 0.30 1.61 -2.14 0.95 0.00 0.00 175.26 175.98 3hch s PRO 428 N -1.40 4.20 -0.06 -4.83 0.02 -1.26 -0.50 135.00 131.17 3hch s PRO 428 Ca 0.44 2.36 -0.01 0.00 0.02 0.00 0.00 61.00 63.82 3hch s PRO 428 Cb -0.30 -3.33 -0.03 0.00 0.02 0.00 0.00 34.50 30.86 3hch s PRO 428 CO 0.38 -0.66 -0.06 1.28 -0.33 0.00 0.00 177.00 177.61 3hch n LEU 429 N 4.61 2.15 -3.93 -5.54 4.77 0.08 -4.85 117.00 114.30 3hch n LEU 429 Ca 0.15 0.00 -0.11 0.00 -0.03 0.00 0.00 56.01 56.02 3hch n LEU 429 Cb 0.39 -0.18 -0.13 0.00 -2.33 0.00 0.00 43.42 41.17 3hch n LEU 429 CO 0.62 0.44 -0.37 -0.36 -1.33 0.00 0.00 177.39 176.39 3hch s PHE 430 N -2.11 0.18 -0.02 -1.77 0.08 -0.47 -1.54 117.98 112.33 3hch s PHE 430 Ca -0.08 -0.25 -0.07 0.00 0.12 0.00 0.00 56.93 56.65 3hch s PHE 430 Cb 0.02 -0.13 -0.05 0.00 -0.57 0.00 0.00 43.02 42.30 3hch s PHE 430 CO 0.12 -0.08 0.26 0.45 -0.10 0.00 0.00 175.22 175.86 3hch s SER 431 N -0.69 6.51 0.58 1.36 0.15 -1.26 0.08 113.70 120.42 3hch s SER 431 Ca -0.07 0.58 0.30 0.00 0.70 0.00 0.00 55.95 57.46 3hch s SER 431 Cb -0.05 -2.10 1.39 0.00 -1.71 0.00 0.00 66.02 63.56 3hch s SER 431 CO -0.00 0.29 1.78 0.77 1.20 0.00 0.00 173.24 177.27 3hch h SER 432 N 4.24 0.00 0.31 5.45 4.64 -1.30 -1.27 113.55 125.63 3hch h SER 432 Ca -0.51 0.00 -0.07 0.00 -0.47 0.00 0.00 61.79 60.74 3hch h SER 432 Cb 1.21 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.29 3hch h SER 432 CO 0.64 0.00 -0.31 0.00 -0.87 0.00 0.00 176.83 176.29 3hch h ALA 433 N 1.29 1.48 -0.13 5.18 0.00 -1.82 -2.56 119.26 122.70 3hch h ALA 433 Ca 0.33 -0.28 0.00 0.00 0.00 0.00 0.00 54.91 54.95 3hch h ALA 433 Cb 1.68 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.42 3hch h ALA 433 CO -0.00 0.39 0.00 -0.25 0.00 0.00 0.00 179.25 179.39 3hch n ASP 434 N -4.16 3.06 -4.80 0.00 8.00 -0.48 -4.93 116.55 113.23 3hch n ASP 434 Ca -0.02 -1.96 -0.37 0.00 0.71 0.00 0.00 54.79 53.15 3hch n ASP 434 Cb 0.35 -0.07 -0.06 0.00 -0.02 0.00 0.00 41.12 41.32 3hch n ASP 434 CO 0.00 0.00 0.00 -0.75 -0.39 0.00 0.00 177.20 176.06 3hch s LYS 435 N -1.77 4.41 0.16 -1.24 2.20 -0.96 -1.25 119.74 121.29 3hch s LYS 435 Ca 0.30 1.05 -0.16 0.00 -0.36 0.00 0.00 55.97 56.79 3hch s LYS 435 Cb 0.20 -2.97 0.03 0.00 -1.51 0.00 0.00 37.83 33.57 3hch s LYS 435 CO 0.29 0.42 0.45 1.52 -0.36 0.00 0.00 175.35 177.68 3hch s TYR 436 N -1.43 -0.11 -0.30 4.03 1.13 -0.48 -4.96 117.35 115.22 3hch s TYR 436 Ca 0.42 -0.22 -0.17 0.00 -1.41 0.00 0.00 57.07 55.69 3hch s TYR 436 Cb -0.19 0.30 -0.02 0.00 -1.10 0.00 0.00 41.96 40.95 3hch s TYR 436 CO 0.23 -0.81 0.49 0.34 -2.51 0.00 0.00 175.55 173.29 3hch s ASP 437 N -2.85 6.35 0.00 -0.18 2.15 -1.26 -3.82 116.67 117.05 3hch s ASP 437 Ca 0.07 0.23 0.24 0.00 0.43 0.00 0.00 52.55 53.53 3hch s ASP 437 Cb 0.01 -2.26 0.33 0.00 -0.30 0.00 0.00 42.92 40.70 3hch s ASP 437 CO -0.06 -0.35 1.30 -1.54 -0.17 0.00 0.00 175.17 174.34 3hch n SER 438 N 5.59 1.40 0.00 -0.34 3.41 -1.26 -4.96 113.62 117.46 3hch n SER 438 Ca -0.05 -1.11 0.00 0.00 -0.26 0.00 0.00 58.87 57.45 3hch n SER 438 Cb 0.50 0.36 0.00 0.00 -0.26 0.00 0.00 64.21 64.81 3hch n SER 438 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3hch n GLY 439 N 1.40 0.38 0.22 5.00 0.00 -1.26 -4.90 105.19 106.03 3hch n GLY 439 Ca 0.10 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.23 3hch n GLY 439 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3hch h SER 440 N 0.00 0.00 0.00 1.61 4.64 -1.98 -3.48 113.55 114.34 3hch h SER 440 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3hch h SER 440 Cb 0.29 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.38 3hch h SER 440 CO 0.00 0.10 0.00 0.61 -0.87 0.00 0.00 176.83 176.67 3hch n GLY 441 N 0.75 0.71 3.36 -0.77 0.00 -1.26 -4.62 105.19 103.35 3hch n GLY 441 Ca 0.02 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.76 3hch n GLY 441 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 3hch s TRP 442 N -2.44 2.20 0.05 1.61 0.51 -1.26 0.11 118.94 119.73 3hch s TRP 442 Ca 0.00 -0.39 -0.37 0.00 -2.12 0.00 0.00 56.10 53.22 3hch s TRP 442 Cb 0.00 -1.22 -0.19 0.00 -0.81 0.00 0.00 33.47 31.25 3hch s TRP 442 CO 0.00 0.27 1.05 -2.30 -0.51 0.00 0.00 176.95 175.46 3hch n PRO 443 N 1.12 0.27 -4.51 4.98 -0.02 -1.15 -4.75 135.00 130.95 3hch n PRO 443 Ca -0.18 0.10 -0.20 0.00 -2.02 0.00 0.00 63.50 61.19 3hch n PRO 443 Cb 0.53 -1.55 -0.15 0.00 -0.02 0.00 0.00 33.50 32.31 3hch n PRO 443 CO 0.00 0.00 0.00 -1.12 1.98 0.00 0.00 175.50 176.36 3hch s SER 444 N -0.06 1.40 0.00 2.55 0.01 -1.25 -0.73 113.70 115.61 3hch s SER 444 Ca 0.85 -0.23 -0.03 0.00 1.31 0.00 0.00 55.95 57.84 3hch s SER 444 Cb -1.14 -0.15 -0.01 0.00 0.21 0.00 0.00 66.02 64.93 3hch s SER 444 CO 0.55 0.13 0.06 -0.36 0.41 0.00 0.00 173.24 174.03 3hch s PHE 445 N -0.32 0.11 -0.36 2.43 0.08 -0.54 -1.38 117.98 118.00 3hch s PHE 445 Ca 0.04 -0.23 0.22 0.00 0.12 0.00 0.00 56.93 57.07 3hch s PHE 445 Cb -0.05 -0.09 0.23 0.00 -0.57 0.00 0.00 43.02 42.54 3hch s PHE 445 CO -0.00 -0.20 1.48 1.79 -0.10 0.00 0.00 175.22 178.18 3hch h THR 446 N 4.58 0.14 -2.29 0.64 1.35 -1.37 0.13 112.91 116.09 3hch h THR 446 Ca -0.30 -1.21 0.12 0.00 -0.55 0.00 0.00 66.41 64.46 3hch h THR 446 Cb 1.20 1.99 -0.14 0.00 -1.73 0.00 0.00 68.15 69.47 3hch h THR 446 CO 0.42 0.08 0.49 0.00 -0.25 0.00 0.00 175.52 176.26 3hch s ARG 447 N -3.19 0.86 0.81 4.72 1.70 -1.26 -4.55 118.95 118.04 3hch s ARG 447 Ca 0.05 -0.34 -0.11 0.00 -0.47 0.00 0.00 55.73 54.86 3hch s ARG 447 Cb 0.06 0.38 0.07 0.00 -0.57 0.00 0.00 34.95 34.90 3hch s ARG 447 CO 0.70 -0.38 1.09 -1.25 -1.08 0.00 0.00 175.30 174.38 3hch s PRO 448 N -3.14 2.02 0.22 3.89 0.04 -1.26 -4.73 135.00 132.02 3hch s PRO 448 Ca 0.06 0.80 -0.10 0.00 0.04 0.00 0.00 61.00 61.80 3hch s PRO 448 Cb -0.01 -1.90 0.32 0.00 0.04 0.00 0.00 34.50 32.95 3hch s PRO 448 CO -0.08 -1.71 1.67 0.97 0.04 0.00 0.00 177.00 177.89 3hch h ILE 449 N -1.16 0.51 -3.99 0.56 2.10 -1.62 -3.41 117.51 110.51 3hch h ILE 449 Ca -0.47 -0.05 -0.21 0.00 1.08 0.00 0.00 64.86 65.21 3hch h ILE 449 Cb 1.26 0.35 -0.20 0.00 -1.09 0.00 0.00 36.82 37.13 3hch h ILE 449 CO 0.57 0.03 -0.71 -0.62 -1.08 0.00 0.00 178.15 176.33 3hch s ASP 450 N -5.24 0.53 0.58 2.19 2.15 -1.26 -5.01 116.67 110.60 3hch s ASP 450 Ca -0.13 -0.58 0.31 0.00 0.43 0.00 0.00 52.55 52.58 3hch s ASP 450 Cb 0.19 0.08 1.38 0.00 -0.30 0.00 0.00 42.92 44.28 3hch s ASP 450 CO 0.74 -0.29 1.73 0.00 -0.17 0.00 0.00 175.17 177.18 3hch h ALA 451 N 4.41 2.66 0.00 3.66 0.00 -1.95 -0.68 119.26 127.36 3hch h ALA 451 Ca -0.34 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.54 3hch h ALA 451 Cb 1.20 0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.05 3hch h ALA 451 CO 0.44 -1.20 0.00 0.87 0.00 0.00 0.00 179.25 179.35 3hch h LYS 452 N 0.00 0.00 0.00 0.00 1.79 -1.96 -3.18 116.57 113.22 3hch h LYS 452 Ca 0.39 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.86 3hch h LYS 452 Cb 1.94 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 32.59 3hch h LYS 452 CO -0.00 0.00 0.00 0.77 -1.08 0.00 0.00 179.45 179.14 3hch h SER 453 N 0.00 0.00 -4.21 0.86 0.02 -1.44 -3.43 113.55 105.34 3hch h SER 453 Ca 0.00 0.00 -0.31 0.00 -0.84 0.00 0.00 61.79 60.64 3hch h SER 453 Cb 0.63 0.00 -0.15 0.00 0.14 0.00 0.00 62.40 63.02 3hch h SER 453 CO 0.00 0.00 -0.68 0.68 -1.14 0.00 0.00 176.83 175.69 3hch s VAL 454 N -3.34 0.90 -0.08 2.27 -7.23 -1.20 -0.76 120.40 110.97 3hch s VAL 454 Ca 0.06 -2.01 0.03 0.00 -1.81 0.00 0.00 61.98 58.24 3hch s VAL 454 Cb 0.08 -2.06 0.01 0.00 0.56 0.00 0.00 36.38 34.97 3hch s VAL 454 CO 0.59 -0.55 -0.16 -0.89 -0.31 0.00 0.00 175.10 173.77 3hch s THR 455 N -3.50 1.45 0.04 5.32 2.01 0.91 -4.66 115.64 117.21 3hch s THR 455 Ca 0.22 -0.67 0.06 0.00 0.31 0.00 0.00 61.69 61.61 3hch s THR 455 Cb 0.05 -1.29 -0.03 0.00 0.01 0.00 0.00 72.50 71.23 3hch s THR 455 CO 0.03 0.43 -0.12 -1.61 -0.69 0.00 0.00 174.62 172.65 3hch s GLU 456 N 0.54 2.26 0.04 4.92 2.02 -1.26 -0.62 118.70 126.61 3hch s GLU 456 Ca -0.16 -0.89 -0.13 0.00 0.02 0.00 0.00 54.97 53.81 3hch s GLU 456 Cb -0.16 -2.33 0.02 0.00 0.10 0.00 0.00 34.13 31.76 3hch s GLU 456 CO 0.05 0.56 0.30 -3.38 0.02 0.00 0.00 175.26 172.81 3hch s HIS 457 N -1.00 -0.09 0.50 1.61 -3.43 -0.76 -4.97 115.29 107.15 3hch s HIS 457 Ca 0.17 -0.05 -0.20 0.00 -0.80 0.00 0.00 55.06 54.18 3hch s HIS 457 Cb -0.11 0.09 -0.08 0.00 -1.43 0.00 0.00 32.58 31.05 3hch s HIS 457 CO 0.07 -0.50 1.05 -0.51 -2.00 0.00 0.00 174.74 172.86 3hch s ASP 458 N -2.07 6.25 -0.08 7.38 1.01 -1.26 -0.27 116.67 127.63 3hch s ASP 458 Ca -0.05 1.96 -0.03 0.00 0.71 0.00 0.00 52.55 55.14 3hch s ASP 458 Cb -0.01 -2.56 0.05 0.00 1.01 0.00 0.00 42.92 41.40 3hch s ASP 458 CO -0.03 -0.85 0.17 -0.62 0.21 0.00 0.00 175.17 174.05 3hch s ASP 459 N -1.97 0.42 -0.17 0.27 2.15 0.33 -4.84 116.67 112.86 3hch s ASP 459 Ca 0.68 0.35 0.17 0.00 0.43 0.00 0.00 52.55 54.18 3hch s ASP 459 Cb -0.17 0.28 0.45 0.00 -0.30 0.00 0.00 42.92 43.18 3hch s ASP 459 CO 0.21 -0.21 1.34 0.49 -0.17 0.00 0.00 175.17 176.82 3hch n PHE 460 N 4.95 0.64 -1.82 -5.34 3.01 -1.25 -0.48 117.46 117.17 3hch n PHE 460 Ca -0.12 -0.95 -0.29 0.00 1.01 0.00 0.00 57.45 57.10 3hch n PHE 460 Cb 0.50 -0.27 0.12 0.00 -0.01 0.00 0.00 39.48 39.82 3hch n PHE 460 CO 0.00 0.00 0.00 -1.54 1.01 0.00 0.00 176.76 176.23 3hch s SER 461 N -2.27 4.01 -1.60 4.37 1.04 -1.25 -3.84 113.70 114.15 3hch s SER 461 Ca 0.39 0.73 0.00 0.00 0.48 0.00 0.00 55.95 57.55 3hch s SER 461 Cb 0.32 -1.16 0.00 0.00 0.10 0.00 0.00 66.02 65.29 3hch s SER 461 CO 0.07 -2.21 0.00 -1.22 0.98 0.00 0.00 173.24 170.85 3hch n TYR 462 N -3.51 -0.45 -3.52 5.02 4.01 -1.26 -2.28 117.16 115.17 3hch n TYR 462 Ca 0.09 0.00 -0.20 0.00 -0.16 0.00 0.00 57.90 57.63 3hch n TYR 462 Cb 0.60 -2.94 0.06 0.00 -0.31 0.00 0.00 39.34 36.75 3hch n TYR 462 CO 0.00 0.00 0.00 0.09 -0.46 0.00 0.00 176.86 176.49 3hch n ASN 463 N -1.01 -3.37 -3.81 7.72 3.02 -1.25 -5.04 115.26 111.52 3hch n ASN 463 Ca -0.16 -0.77 -0.12 0.00 -0.03 0.00 0.00 54.58 53.50 3hch n ASN 463 Cb 0.54 -4.52 -0.08 0.00 -0.61 0.00 0.00 39.78 35.11 3hch n ASN 463 CO 0.00 0.00 0.00 -0.04 -2.62 0.00 0.00 177.26 174.60 3hch s MET 464 N -5.42 0.68 -0.47 3.52 -1.94 -0.97 -5.11 119.30 109.59 3hch s MET 464 Ca 0.19 -0.45 -0.19 0.00 -1.71 0.00 0.00 55.69 53.53 3hch s MET 464 Cb -0.04 0.29 0.04 0.00 2.01 0.00 0.00 34.83 37.13 3hch s MET 464 CO 0.78 -0.20 0.57 0.50 -0.01 0.00 0.00 175.02 176.67 3hch s ARG 465 N -2.05 3.14 0.21 2.03 3.00 -1.26 -3.77 118.95 120.24 3hch s ARG 465 Ca -0.09 -0.77 0.07 0.00 -1.00 0.00 0.00 55.73 53.94 3hch s ARG 465 Cb -0.03 -4.04 -0.05 0.00 0.00 0.00 0.00 34.95 30.83 3hch s ARG 465 CO -0.01 -1.08 -0.12 1.03 0.00 0.00 0.00 175.30 175.12 3hch s ARG 466 N 2.51 1.32 -0.25 5.12 0.52 0.37 -4.99 118.95 123.55 3hch s ARG 466 Ca 0.15 -1.60 -0.01 0.00 -0.52 0.00 0.00 55.73 53.76 3hch s ARG 466 Cb -0.18 -1.04 0.03 0.00 0.52 0.00 0.00 34.95 34.28 3hch s ARG 466 CO 0.14 0.15 -0.08 0.99 0.02 0.00 0.00 175.30 176.51 3hch s THR 467 N -3.04 2.72 0.29 0.02 2.01 -1.26 -0.52 115.64 115.87 3hch s THR 467 Ca 0.23 -1.12 -0.19 0.00 0.31 0.00 0.00 61.69 60.92 3hch s THR 467 Cb 0.00 -2.40 -0.09 0.00 0.01 0.00 0.00 72.50 70.02 3hch s THR 467 CO 0.07 0.18 0.78 -0.70 -0.69 0.00 0.00 174.62 174.25 3hch s GLU 468 N 1.29 4.20 -0.08 4.92 2.12 0.63 -1.14 118.70 130.64 3hch s GLU 468 Ca -0.01 0.88 0.05 0.00 0.36 0.00 0.00 54.97 56.24 3hch s GLU 468 Cb -0.17 -2.63 -0.01 0.00 0.26 0.00 0.00 34.13 31.58 3hch s GLU 468 CO -0.05 0.25 -0.23 0.08 -0.54 0.00 0.00 175.26 174.77 3hch s VAL 469 N -1.77 2.25 0.15 3.70 1.01 0.10 -1.83 120.40 124.01 3hch s VAL 469 Ca 0.50 -0.98 0.03 0.00 0.00 0.00 0.00 61.98 61.53 3hch s VAL 469 Cb -0.14 -1.85 -0.05 0.00 0.00 0.00 0.00 36.38 34.35 3hch s VAL 469 CO 0.19 0.56 -0.06 -0.13 0.00 0.00 0.00 175.10 175.66 3hch s ARG 470 N 0.01 1.06 0.60 2.72 0.52 0.21 -1.33 118.95 122.74 3hch s ARG 470 Ca -0.08 -1.47 -0.15 0.00 -0.52 0.00 0.00 55.73 53.50 3hch s ARG 470 Cb -0.15 -0.47 -0.03 0.00 0.52 0.00 0.00 34.95 34.81 3hch s ARG 470 CO 0.05 -0.00 1.05 -1.54 0.02 0.00 0.00 175.30 174.88 3hch s SER 471 N -3.16 5.80 -0.01 0.23 1.04 -0.47 -0.06 113.70 117.06 3hch s SER 471 Ca 0.19 1.78 -0.10 0.00 0.48 0.00 0.00 55.95 58.30 3hch s SER 471 Cb 0.04 -2.53 -0.05 0.00 0.10 0.00 0.00 66.02 63.58 3hch s SER 471 CO 0.01 -1.16 0.65 -0.74 0.98 0.00 0.00 173.24 172.99 3hch h HIS 472 N 0.36 -0.32 0.29 5.02 2.76 -1.21 -2.69 115.15 119.35 3hch h HIS 472 Ca -0.47 -0.01 -0.01 0.00 -2.20 0.00 0.00 60.37 57.68 3hch h HIS 472 Cb 1.22 0.11 0.00 0.00 1.55 0.00 0.00 27.41 30.29 3hch h HIS 472 CO 0.59 -0.20 -0.14 0.00 -1.30 0.00 0.00 177.93 176.88 3hch h ALA 473 N -1.59 -0.39 -0.00 5.26 0.00 -1.91 -3.26 119.26 117.38 3hch h ALA 473 Ca -0.04 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.71 3hch h ALA 473 Cb 0.27 0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.21 3hch h ALA 473 CO 0.06 -0.60 -0.41 0.00 0.00 0.00 0.00 179.25 178.30 3hch n ALA 474 N -2.40 3.34 -2.77 0.00 0.00 -1.26 -0.50 120.51 116.93 3hch n ALA 474 Ca -0.10 -0.31 -0.19 0.00 0.00 0.00 0.00 53.44 52.85 3hch n ALA 474 Cb 0.24 -1.18 0.00 0.00 0.00 0.00 0.00 19.45 18.52 3hch n ALA 474 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 3hch n ASP 475 N -1.49 -4.79 -4.77 0.00 2.03 -1.01 -4.68 116.55 101.84 3hch n ASP 475 Ca 0.06 -0.09 -0.40 0.00 0.52 0.00 0.00 54.79 54.88 3hch n ASP 475 Cb 0.34 -3.97 -0.02 0.00 -0.72 0.00 0.00 41.12 36.75 3hch n ASP 475 CO 0.00 0.00 0.00 -0.44 -1.92 0.00 0.00 177.20 174.84 3hch s SER 476 N -2.34 6.62 0.18 1.67 0.01 -1.26 -4.71 113.70 113.87 3hch s SER 476 Ca 0.16 2.71 -0.31 0.00 1.31 0.00 0.00 55.95 59.82 3hch s SER 476 Cb -0.08 -2.65 -0.09 0.00 0.21 0.00 0.00 66.02 63.41 3hch s SER 476 CO 0.20 -0.64 1.44 -2.28 0.41 0.00 0.00 173.24 172.36 3hch s HIS 477 N -1.17 3.14 -0.09 2.43 2.46 -0.01 -1.37 115.29 120.68 3hch s HIS 477 Ca 0.51 0.93 -0.03 0.00 0.47 0.00 0.00 55.06 56.94 3hch s HIS 477 Cb -0.40 -3.77 -0.04 0.00 -0.13 0.00 0.00 32.58 28.24 3hch s HIS 477 CO 0.53 -2.65 -0.10 1.28 -2.47 0.00 0.00 174.74 171.32 3hch n LEU 478 N 3.32 1.09 0.00 8.88 4.77 -0.45 -4.26 117.00 130.35 3hch n LEU 478 Ca 0.10 0.08 0.00 0.00 -0.03 0.00 0.00 56.01 56.16 3hch n LEU 478 Cb 0.41 -0.26 0.00 0.00 -2.33 0.00 0.00 43.42 41.24 3hch n LEU 478 CO 0.60 0.27 0.00 0.61 -1.33 0.00 0.00 177.39 177.54 3hch n GLY 479 N 2.58 -0.65 3.08 -0.72 0.00 -1.03 -1.20 105.19 107.25 3hch n GLY 479 Ca -0.17 -0.19 -0.08 0.00 0.00 0.00 0.00 46.02 45.59 3hch n GLY 479 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3hch s HIS 480 N -3.03 0.50 -0.08 1.61 3.76 -0.47 -0.72 115.29 116.85 3hch s HIS 480 Ca 0.00 -0.97 0.04 0.00 -0.15 0.00 0.00 55.06 53.98 3hch s HIS 480 Cb 0.00 -0.36 -0.01 0.00 1.11 0.00 0.00 32.58 33.31 3hch s HIS 480 CO 0.00 -0.34 -0.21 0.54 -0.85 0.00 0.00 174.74 173.89 3hch s VAL 481 N -3.50 2.42 0.13 -0.90 0.11 -0.29 -0.13 120.40 118.24 3hch s VAL 481 Ca 0.04 -0.92 0.11 0.00 -2.93 0.00 0.00 61.98 58.27 3hch s VAL 481 Cb 0.05 -1.93 -0.04 0.00 -1.53 0.00 0.00 36.38 32.93 3hch s VAL 481 CO -0.08 0.56 -0.26 -0.36 -3.33 0.00 0.00 175.10 171.63 3hch s PHE 482 N -0.02 2.23 -0.26 1.54 0.40 0.11 -4.17 117.98 117.80 3hch s PHE 482 Ca -0.06 -0.39 -0.01 0.00 -0.60 0.00 0.00 56.93 55.87 3hch s PHE 482 Cb -0.15 -1.21 0.15 0.00 0.51 0.00 0.00 43.02 42.32 3hch s PHE 482 CO 0.05 0.32 2.13 -0.35 0.70 0.00 0.00 175.22 178.07 3hch n PRO 483 N 0.93 1.72 -0.81 0.24 -0.04 -1.26 -0.58 135.00 135.20 3hch n PRO 483 Ca -0.18 -1.33 0.05 0.00 -0.04 0.00 0.00 63.50 62.00 3hch n PRO 483 Cb 0.53 -1.56 0.13 0.00 -0.04 0.00 0.00 33.50 32.56 3hch n PRO 483 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 3hch n ASP 484 N 0.66 1.44 -4.80 3.54 5.68 -1.14 -4.85 116.55 117.08 3hch n ASP 484 Ca 0.27 -3.08 -0.27 0.00 -0.50 0.00 0.00 54.79 51.21 3hch n ASP 484 Cb 0.57 -0.42 0.09 0.00 -1.14 0.00 0.00 41.12 40.22 3hch n ASP 484 CO 0.00 0.00 0.00 -0.83 -1.33 0.00 0.00 177.20 175.04 3hch s GLY 485 N -2.64 1.67 0.03 6.12 0.00 -0.02 -4.73 107.32 107.75 3hch s GLY 485 Ca 0.33 -0.92 -0.30 0.00 0.00 0.00 0.00 44.72 43.83 3hch s GLY 485 CO -0.08 -0.43 1.92 2.56 0.00 0.00 0.00 173.10 177.06 3hch s PRO 486 N -5.43 4.15 0.48 2.90 0.04 -1.26 -4.17 135.00 131.70 3hch s PRO 486 Ca 0.63 2.56 0.13 0.00 0.04 0.00 0.00 61.00 64.36 3hch s PRO 486 Cb -0.10 -4.09 1.12 0.00 0.04 0.00 0.00 34.50 31.48 3hch s PRO 486 CO 0.47 -0.93 2.10 0.00 0.04 0.00 0.00 177.00 178.68 3hch h ARG 487 N 10.27 0.22 0.00 4.56 3.08 -1.91 -0.58 114.38 130.02 3hch h ARG 487 Ca -0.48 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 59.56 3hch h ARG 487 Cb 1.23 -0.05 0.00 0.00 0.08 0.00 0.00 29.97 31.23 3hch h ARG 487 CO 0.94 0.14 0.00 0.38 -1.07 0.00 0.00 179.97 180.37 3hch h ASP 488 N 0.22 0.00 -0.28 7.04 2.03 -2.01 -2.56 116.42 120.86 3hch h ASP 488 Ca 0.09 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.39 3hch h ASP 488 Cb 0.07 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.57 3hch h ASP 488 CO -0.02 0.00 0.00 0.29 -1.03 0.00 0.00 179.24 178.48 3hch n LYS 489 N -2.53 2.89 0.00 4.15 4.76 -0.29 -4.97 118.16 122.18 3hch n LYS 489 Ca 0.00 -1.96 0.00 0.00 -2.87 0.00 0.00 58.31 53.48 3hch n LYS 489 Cb 0.16 -1.23 0.00 0.00 -1.84 0.00 0.00 35.03 32.13 3hch n LYS 489 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3hch n GLY 490 N 0.29 1.55 1.86 0.72 0.00 -0.97 -4.72 105.19 103.93 3hch n GLY 490 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.12 3hch n GLY 490 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hch n GLY 491 N 0.00 0.81 3.71 -0.02 0.00 -0.83 -4.92 105.19 103.94 3hch n GLY 491 Ca 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.67 3hch n GLY 491 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3hch s LEU 492 N 0.00 3.72 -0.29 0.99 1.43 -1.26 -0.84 118.68 122.43 3hch s LEU 492 Ca 0.00 0.20 -0.02 0.00 -1.03 0.00 0.00 54.13 53.27 3hch s LEU 492 Cb 0.00 -1.87 0.04 0.00 0.03 0.00 0.00 46.19 44.40 3hch s LEU 492 CO 0.00 0.38 -0.01 -0.60 0.23 0.00 0.00 176.35 176.35 3hch s ARG 493 N -0.86 2.58 -0.52 1.70 3.52 0.25 -4.18 118.95 121.45 3hch s ARG 493 Ca 0.13 -1.16 -0.25 0.00 -0.13 0.00 0.00 55.73 54.32 3hch s ARG 493 Cb -0.12 -3.15 0.04 0.00 -1.56 0.00 0.00 34.95 30.16 3hch s ARG 493 CO 0.03 -0.55 0.94 0.71 -0.81 0.00 0.00 175.30 175.62 3hch s TYR 494 N 1.29 2.83 -0.42 5.12 1.51 0.46 0.05 117.35 128.19 3hch s TYR 494 Ca -0.03 0.15 -0.14 0.00 -1.01 0.00 0.00 57.07 56.03 3hch s TYR 494 Cb -0.19 -4.05 0.04 0.00 -0.11 0.00 0.00 41.96 37.65 3hch s TYR 494 CO -0.02 -1.27 0.31 0.45 -1.11 0.00 0.00 175.55 173.91 3hch s SER 495 N 2.63 6.03 -0.05 2.29 0.15 0.82 -1.46 113.70 124.11 3hch s SER 495 Ca 0.33 -1.06 0.05 0.00 0.70 0.00 0.00 55.95 55.98 3hch s SER 495 Cb -0.11 -2.13 -0.01 0.00 -1.71 0.00 0.00 66.02 62.05 3hch s SER 495 CO 0.22 -0.49 -0.22 -0.63 1.20 0.00 0.00 173.24 173.32 3hch s ILE 496 N 1.64 1.79 0.17 6.45 -1.09 0.09 -1.37 121.20 128.88 3hch s ILE 496 Ca 0.04 -0.92 -0.31 0.00 -2.23 0.00 0.00 60.65 57.24 3hch s ILE 496 Cb -0.21 -1.53 -0.09 0.00 -1.58 0.00 0.00 42.46 39.06 3hch s ILE 496 CO 0.08 0.50 1.43 0.20 -1.23 0.00 0.00 174.94 175.93 3hch s ASN 497 N -0.05 6.74 0.40 3.58 0.01 -0.34 -2.91 114.94 122.37 3hch s ASN 497 Ca -0.05 2.49 0.07 0.00 -0.71 0.00 0.00 52.86 54.66 3hch s ASN 497 Cb -0.13 -2.60 0.82 0.00 0.41 0.00 0.00 41.25 39.75 3hch s ASN 497 CO 0.03 -0.68 2.03 1.23 -1.51 0.00 0.00 177.10 178.20 3hch h GLY 498 N 6.15 0.57 2.00 0.66 0.00 -1.92 -2.06 103.07 108.47 3hch h GLY 498 Ca -0.44 -0.23 -0.01 0.00 0.00 0.00 0.00 47.33 46.66 3hch h GLY 498 CO 0.84 0.23 -0.02 0.00 0.00 0.00 0.00 176.54 177.58 3hch h ALA 499 N 1.70 1.09 -0.00 3.60 0.00 -1.93 -0.96 119.26 122.76 3hch h ALA 499 Ca 0.14 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.03 3hch h ALA 499 Cb 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 3hch h ALA 499 CO -0.03 0.03 0.00 -1.13 0.00 0.00 0.00 179.25 178.13 3hch n SER 500 N -3.24 0.46 -4.37 0.00 3.41 -0.77 -4.45 113.62 104.65 3hch n SER 500 Ca -0.02 -1.15 -0.26 0.00 -0.26 0.00 0.00 58.87 57.18 3hch n SER 500 Cb 0.17 -0.00 -0.12 0.00 -0.26 0.00 0.00 64.21 64.00 3hch n SER 500 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 3hch s LEU 501 N -2.00 2.37 -0.14 1.04 1.43 -0.37 -3.24 118.68 117.78 3hch s LEU 501 Ca 0.45 -0.80 0.02 0.00 -1.03 0.00 0.00 54.13 52.78 3hch s LEU 501 Cb 0.22 -1.08 0.01 0.00 0.03 0.00 0.00 46.19 45.37 3hch s LEU 501 CO 0.36 0.10 -0.21 -0.75 0.23 0.00 0.00 176.35 176.08 3hch s LYS 502 N -2.35 2.89 -0.09 1.70 2.20 0.79 -4.77 119.74 120.12 3hch s LYS 502 Ca 0.15 -0.81 -0.28 0.00 -0.36 0.00 0.00 55.97 54.67 3hch s LYS 502 Cb -0.09 -2.36 -0.02 0.00 -1.51 0.00 0.00 37.83 33.85 3hch s LYS 502 CO 0.07 -0.04 0.93 0.12 -0.36 0.00 0.00 175.35 176.07 3hch s PHE 503 N 0.88 3.54 -0.39 4.03 5.36 -1.26 -0.74 117.98 129.40 3hch s PHE 503 Ca -0.06 1.51 -0.09 0.00 -0.96 0.00 0.00 56.93 57.34 3hch s PHE 503 Cb -0.15 -3.09 0.06 0.00 -0.34 0.00 0.00 43.02 39.50 3hch s PHE 503 CO -0.03 -0.13 0.21 0.42 -1.46 0.00 0.00 175.22 174.23 3hch s ILE 504 N 1.64 4.13 0.51 3.12 -1.09 0.84 -4.99 121.20 125.37 3hch s ILE 504 Ca 0.46 -1.29 -0.19 0.00 -2.23 0.00 0.00 60.65 57.39 3hch s ILE 504 Cb -0.19 -3.47 -0.11 0.00 -1.58 0.00 0.00 42.46 37.12 3hch s ILE 504 CO 0.19 -0.40 0.41 -2.65 -1.23 0.00 0.00 174.94 171.26 3hch n PRO 505 N 4.89 0.43 -0.33 2.79 -0.02 -1.26 -2.01 135.00 139.49 3hch n PRO 505 Ca -0.10 0.17 0.20 0.00 -2.02 0.00 0.00 63.50 61.74 3hch n PRO 505 Cb 0.44 -1.51 0.39 0.00 -0.02 0.00 0.00 33.50 32.79 3hch n PRO 505 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 3hch h LEU 506 N 0.36 -0.07 -0.71 2.45 6.46 -1.28 -2.17 115.31 120.35 3hch h LEU 506 Ca -0.43 0.25 -0.14 0.00 -0.12 0.00 0.00 57.88 57.44 3hch h LEU 506 Cb 1.41 0.35 -0.02 0.00 -0.73 0.00 0.00 40.66 41.67 3hch h LEU 506 CO 0.47 -0.32 -0.62 1.05 -0.62 0.00 0.00 178.44 178.40 3hch h GLU 507 N 0.07 0.08 -0.01 1.25 9.09 -1.88 -3.03 114.58 120.16 3hch h GLU 507 Ca 0.67 -0.06 0.00 0.00 0.05 0.00 0.00 59.36 60.02 3hch h GLU 507 Cb 1.53 0.01 0.00 0.00 -1.65 0.00 0.00 28.75 28.64 3hch h GLU 507 CO -0.80 0.68 -0.14 1.04 0.05 0.00 0.00 179.01 179.85 3hch n GLN 508 N -3.82 1.13 0.29 1.06 6.02 -0.84 -4.22 117.38 117.00 3hch n GLN 508 Ca -0.02 -0.62 0.16 0.00 -0.01 0.00 0.00 57.00 56.51 3hch n GLN 508 Cb 0.62 -1.49 0.87 0.00 1.02 0.00 0.00 30.24 31.27 3hch n GLN 508 CO 0.00 0.00 0.00 0.52 -1.01 0.00 0.00 177.06 176.57 3hch h MET 509 N 1.52 0.00 0.03 -1.09 2.86 -1.38 -2.74 114.93 114.14 3hch h MET 509 Ca 0.00 0.00 -0.00 0.00 -2.06 0.00 0.00 59.70 57.64 3hch h MET 509 Cb 0.47 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.13 3hch h MET 509 CO 0.00 0.06 -0.01 -0.44 1.06 0.00 0.00 176.91 177.57 3hch h ASP 510 N 0.00 -0.03 0.00 1.22 3.32 -1.81 1.07 116.42 120.19 3hch h ASP 510 Ca -0.00 -0.31 0.00 0.00 0.02 0.00 0.00 57.03 56.74 3hch h ASP 510 Cb 0.24 0.01 0.00 0.00 0.22 0.00 0.00 39.33 39.79 3hch h ASP 510 CO 0.01 0.61 0.13 0.00 -1.72 0.00 0.00 179.24 178.27 3hch n ALA 511 N -2.72 0.74 -0.12 3.45 0.00 -1.14 -1.76 120.51 118.96 3hch n ALA 511 Ca -0.04 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.40 3hch n ALA 511 Cb 0.16 -0.72 0.00 0.00 0.00 0.00 0.00 19.45 18.89 3hch n ALA 511 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3hch n ALA 512 N -1.33 1.71 0.00 0.00 0.00 -1.05 -5.02 120.51 114.82 3hch n ALA 512 Ca 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 53.44 53.25 3hch n ALA 512 Cb 0.13 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.58 3hch n ALA 512 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3hch n GLY 513 N 0.37 1.07 1.11 0.00 0.00 -0.72 -4.99 105.19 102.03 3hch n GLY 513 Ca 0.00 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.08 3hch n GLY 513 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3hch n TYR 514 N -1.58 1.20 -0.30 1.61 4.01 0.35 -4.74 117.16 117.71 3hch n TYR 514 Ca 0.00 -0.95 0.12 0.00 -0.16 0.00 0.00 57.90 56.91 3hch n TYR 514 Cb 0.00 -0.38 0.25 0.00 -0.31 0.00 0.00 39.34 38.90 3hch n TYR 514 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3hch n GLY 515 N -0.42 -1.17 0.00 2.72 0.00 -0.27 -1.36 105.19 104.69 3hch n GLY 515 Ca 0.25 0.84 0.09 0.00 0.00 0.00 0.00 46.02 47.20 3hch n GLY 515 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hch n ALA 516 N -3.25 2.17 0.05 4.61 0.00 -1.26 -2.23 120.51 120.60 3hch n ALA 516 Ca 0.20 -0.11 0.01 0.00 0.00 0.00 0.00 53.44 53.53 3hch n ALA 516 Cb 0.65 -1.30 0.00 0.00 0.00 0.00 0.00 19.45 18.80 3hch n ALA 516 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3hch n LEU 517 N -1.03 0.65 0.12 0.00 4.77 -0.46 -4.66 117.00 116.39 3hch n LEU 517 Ca 0.13 -0.78 0.12 0.00 -0.03 0.00 0.00 56.01 55.46 3hch n LEU 517 Cb 0.07 0.00 0.25 0.00 -2.33 0.00 0.00 43.42 41.41 3hch n LEU 517 CO 0.11 0.15 1.11 0.11 -1.33 0.00 0.00 177.39 177.54 3hch h LYS 518 N 0.14 0.00 -0.11 3.23 1.57 -1.46 0.31 116.57 120.24 3hch h LYS 518 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3hch h LYS 518 Cb 0.04 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.35 3hch h LYS 518 CO 0.00 0.00 0.00 -1.13 -0.57 0.00 0.00 179.45 177.75 3hch n SER 519 N -2.86 2.65 -0.10 0.86 3.41 -1.26 -3.56 113.62 112.76 3hch n SER 519 Ca 0.09 -1.87 0.12 0.00 -0.26 0.00 0.00 58.87 56.95 3hch n SER 519 Cb 1.14 -0.06 0.21 0.00 -0.26 0.00 0.00 64.21 65.24 3hch n SER 519 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 3hch n LYS 520 N 1.04 0.31 -3.24 4.33 4.76 0.11 -4.95 118.16 120.52 3hch n LYS 520 Ca 0.16 -0.21 -0.39 0.00 -2.87 0.00 0.00 58.31 55.01 3hch n LYS 520 Cb 0.52 -1.50 -0.06 0.00 -1.84 0.00 0.00 35.03 32.16 3hch n LYS 520 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 3hch s VAL 521 N -2.83 5.13 -0.03 -0.18 1.01 -1.23 -4.44 120.40 117.83 3hch s VAL 521 Ca 0.15 1.05 0.00 0.00 0.00 0.00 0.00 61.98 63.17 3hch s VAL 521 Cb 0.18 -3.87 0.00 0.00 0.00 0.00 0.00 36.38 32.69 3hch s VAL 521 CO 0.67 0.26 0.51 0.29 0.00 0.00 0.00 175.10 176.82